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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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6230 |
1in1 ![]() ![]() |
5041 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H GLY 835 H GLY 835 -13.180 -0.886 12.318 2 1HA GLY 835 1HA GLY 835 -12.293 -3.425 11.204 3 2HA GLY 835 2HA GLY 835 -14.024 -3.099 10.957 4 H SER 836 H SER 836 -10.984 -2.745 9.611 5 HA SER 836 HA SER 836 -11.774 -0.292 8.120 6 1HB SER 836 1HB SER 836 -9.394 -0.063 7.599 7 2HB SER 836 2HB SER 836 -9.618 -0.199 9.359 8 HG SER 836 HG SER 836 -8.521 -1.974 9.323 9 H ALA 837 H ALA 837 -9.520 -2.952 7.296 10 HA ALA 837 HA ALA 837 -10.059 -3.055 4.594 11 1HB ALA 837 1HB ALA 837 -8.426 -4.413 6.226 12 2HB ALA 837 2HB ALA 837 -9.682 -5.659 6.027 13 3HB ALA 837 3HB ALA 837 -8.839 -5.009 4.600 14 H ASP 838 H ASP 838 -11.567 -5.218 7.068 15 HA ASP 838 HA ASP 838 -13.418 -6.448 5.379 16 1HB ASP 838 1HB ASP 838 -13.118 -5.953 8.285 17 2HB ASP 838 2HB ASP 838 -14.780 -6.273 7.745 18 H GLU 839 H GLU 839 -13.291 -3.163 6.513 19 HA GLU 839 HA GLU 839 -16.127 -2.738 5.742 20 1HB GLU 839 1HB GLU 839 -14.199 -1.435 7.596 21 2HB GLU 839 2HB GLU 839 -15.289 -0.343 6.709 22 1HG GLU 839 1HG GLU 839 -16.820 -2.600 7.589 23 2HG GLU 839 2HG GLU 839 -15.879 -2.008 8.975 24 H THR 840 H THR 840 -13.038 -2.687 4.430 25 HA THR 840 HA THR 840 -13.864 -0.606 2.459 26 HB THR 840 HB THR 840 -11.036 -1.308 3.337 27 HG1 THR 840 1HG THR 840 -11.754 -0.155 4.979 28 1HG2 THR 840 1HG2 THR 840 -12.097 1.023 1.689 29 2HG2 THR 840 2HG2 THR 840 -10.394 0.609 2.000 30 3HG2 THR 840 3HG2 THR 840 -11.397 -0.452 0.981 31 H LEU 841 H LEU 841 -11.175 -2.983 2.581 32 HA LEU 841 HA LEU 841 -11.481 -3.723 -0.145 33 1HB LEU 841 1HB LEU 841 -9.372 -4.033 0.981 34 2HB LEU 841 2HB LEU 841 -10.122 -5.073 2.216 35 HG LEU 841 HG LEU 841 -8.864 -6.043 0.004 36 1HD1 LEU 841 1HD1 LEU 841 -11.190 -7.061 1.646 37 2HD1 LEU 841 2HD1 LEU 841 -10.514 -8.058 0.336 38 3HD1 LEU 841 3HD1 LEU 841 -9.481 -7.554 1.695 39 1HD2 LEU 841 1HD2 LEU 841 -10.128 -5.676 -1.835 40 2HD2 LEU 841 2HD2 LEU 841 -11.310 -6.810 -1.138 41 3HD2 LEU 841 3HD2 LEU 841 -11.484 -5.061 -0.860 42 H CYS 842 H CYS 842 -13.606 -4.224 2.329 43 HA CYS 842 HA CYS 842 -14.291 -6.973 2.093 44 1HB CYS 842 1HB CYS 842 -15.268 -5.987 3.940 45 2HB CYS 842 2HB CYS 842 -15.608 -4.463 3.083 46 HG CYS 842 HG CYS 842 -17.921 -5.078 3.189 47 H GLN 843 H GLN 843 -14.514 -4.391 -0.138 48 HA GLN 843 HA GLN 843 -16.815 -5.583 -1.557 49 1HB GLN 843 1HB GLN 843 -15.212 -3.202 -2.492 50 2HB GLN 843 2HB GLN 843 -16.935 -3.571 -2.744 51 1HG GLN 843 1HG GLN 843 -16.221 -3.382 0.099 52 2HG GLN 843 2HG GLN 843 -15.886 -1.880 -0.789 53 1HE2 GLN 843 1HE2 GLN 843 -17.916 -2.246 1.253 54 2HE2 GLN 843 2HE2 GLN 843 -19.469 -1.974 0.493 55 H THR 844 H THR 844 -15.153 -7.535 -1.678 56 HA THR 844 HA THR 844 -13.986 -8.891 -3.107 57 HB THR 844 HB THR 844 -15.529 -7.227 -4.761 58 HG1 THR 844 1HG THR 844 -13.889 -9.465 -5.376 59 1HG2 THR 844 1HG2 THR 844 -12.598 -7.284 -5.563 60 2HG2 THR 844 2HG2 THR 844 -13.905 -7.068 -6.752 61 3HG2 THR 844 3HG2 THR 844 -13.682 -5.877 -5.448 62 H LYS 845 H LYS 845 -13.121 -5.497 -4.001 63 HA LYS 845 HA LYS 845 -10.472 -5.787 -2.871 64 1HB LYS 845 1HB LYS 845 -10.873 -6.704 -5.539 65 2HB LYS 845 2HB LYS 845 -9.997 -5.158 -5.640 66 1HG LYS 845 1HG LYS 845 -8.568 -7.287 -5.362 67 2HG LYS 845 2HG LYS 845 -8.235 -5.946 -4.240 68 1HD LYS 845 1HD LYS 845 -10.300 -7.437 -3.022 69 2HD LYS 845 2HD LYS 845 -9.161 -8.647 -3.661 70 1HE LYS 845 1HE LYS 845 -8.122 -6.229 -2.183 71 2HE LYS 845 2HE LYS 845 -8.762 -7.614 -1.272 72 1HZ LYS 845 1HZ LYS 845 -6.276 -7.425 -2.082 73 2HZ LYS 845 2HZ LYS 845 -7.047 -8.867 -1.859 74 3HZ LYS 845 3HZ LYS 845 -6.909 -8.230 -3.375 75 H VAL 846 H VAL 846 -13.111 -4.080 -4.190 76 HA VAL 846 HA VAL 846 -13.454 -1.839 -4.684 77 HB VAL 846 HB VAL 846 -13.584 -0.765 -2.686 78 1HG1 VAL 846 1HG1 VAL 846 -14.069 -2.406 -1.213 79 2HG1 VAL 846 2HG1 VAL 846 -13.318 -3.556 -2.344 80 3HG1 VAL 846 3HG1 VAL 846 -12.349 -2.828 -1.041 81 1HG2 VAL 846 1HG2 VAL 846 -11.731 -0.170 -1.352 82 2HG2 VAL 846 2HG2 VAL 846 -10.806 -1.614 -1.829 83 3HG2 VAL 846 3HG2 VAL 846 -11.034 -0.282 -2.987 84 H LEU 847 H LEU 847 -10.105 -2.099 -3.349 85 HA LEU 847 HA LEU 847 -8.133 -1.195 -4.074 86 1HB LEU 847 1HB LEU 847 -9.361 -0.909 -6.824 87 2HB LEU 847 2HB LEU 847 -7.679 -1.290 -6.384 88 HG LEU 847 HG LEU 847 -8.785 -3.329 -7.155 89 1HD1 LEU 847 1HD1 LEU 847 -8.922 -3.982 -4.299 90 2HD1 LEU 847 2HD1 LEU 847 -7.774 -4.545 -5.537 91 3HD1 LEU 847 3HD1 LEU 847 -7.489 -3.003 -4.695 92 1HD2 LEU 847 1HD2 LEU 847 -10.712 -3.342 -4.871 93 2HD2 LEU 847 2HD2 LEU 847 -11.084 -2.240 -6.219 94 3HD2 LEU 847 3HD2 LEU 847 -10.894 -3.984 -6.521 95 H LEU 848 H LEU 848 -10.189 0.530 -6.442 96 HA LEU 848 HA LEU 848 -10.728 2.750 -6.636 97 1HB LEU 848 1HB LEU 848 -10.198 2.484 -3.705 98 2HB LEU 848 2HB LEU 848 -10.202 4.128 -4.388 99 HG LEU 848 HG LEU 848 -12.417 2.109 -4.910 100 1HD1 LEU 848 1HD1 LEU 848 -11.797 3.587 -2.493 101 2HD1 LEU 848 2HD1 LEU 848 -13.314 4.192 -3.201 102 3HD1 LEU 848 3HD1 LEU 848 -13.143 2.465 -2.805 103 1HD2 LEU 848 1HD2 LEU 848 -12.992 4.992 -4.948 104 2HD2 LEU 848 2HD2 LEU 848 -11.744 4.526 -6.128 105 3HD2 LEU 848 3HD2 LEU 848 -13.344 3.748 -6.171 106 H ASP 849 H ASP 849 -9.668 4.953 -6.705 107 HA ASP 849 HA ASP 849 -6.900 4.599 -7.541 108 1HB ASP 849 1HB ASP 849 -7.148 7.084 -8.047 109 2HB ASP 849 2HB ASP 849 -8.258 5.998 -8.910 110 H ILE 850 H ILE 850 -6.730 3.905 -5.006 111 HA ILE 850 HA ILE 850 -6.323 6.181 -3.238 112 HB ILE 850 HB ILE 850 -5.145 3.571 -2.505 113 1HG1 ILE 850 1HG1 ILE 850 -7.122 3.015 -4.056 114 2HG1 ILE 850 2HG1 ILE 850 -7.185 2.334 -2.413 115 1HG2 ILE 850 1HG2 ILE 850 -5.962 4.157 -0.428 116 2HG2 ILE 850 2HG2 ILE 850 -5.922 5.776 -1.166 117 3HG2 ILE 850 3HG2 ILE 850 -7.451 4.867 -1.097 118 1HD1 ILE 850 1HD1 ILE 850 -8.431 4.653 -1.907 119 2HD1 ILE 850 2HD1 ILE 850 -8.818 4.535 -3.640 120 3HD1 ILE 850 3HD1 ILE 850 -9.313 3.237 -2.527 121 H PHE 851 H PHE 851 -3.916 3.662 -3.176 122 HA PHE 851 HA PHE 851 -1.734 5.406 -3.115 123 1HB PHE 851 1HB PHE 851 -1.516 2.660 -4.324 124 2HB PHE 851 2HB PHE 851 -0.406 3.493 -3.224 125 HD1 PHE 851 1HD PHE 851 -2.887 0.994 -3.476 126 HD2 PHE 851 2HD PHE 851 -1.409 4.036 -0.828 127 HE1 PHE 851 1HE PHE 851 -3.918 -0.181 -1.550 128 HE2 PHE 851 2HE PHE 851 -2.440 2.861 1.097 129 HZ PHE 851 HZ PHE 851 -3.694 0.752 0.736 130 H THR 852 H THR 852 -3.582 6.104 -5.304 131 HA THR 852 HA THR 852 -2.898 5.459 -7.854 132 HB THR 852 HB THR 852 -4.284 7.501 -6.667 133 HG1 THR 852 1HG THR 852 -4.946 6.927 -8.608 134 1HG2 THR 852 1HG2 THR 852 -1.831 8.673 -8.046 135 2HG2 THR 852 2HG2 THR 852 -3.295 9.600 -7.640 136 3HG2 THR 852 3HG2 THR 852 -2.305 8.888 -6.343 137 H GLY 853 H GLY 853 -0.877 4.897 -8.503 138 1HA GLY 853 1HA GLY 853 1.292 5.215 -9.197 139 2HA GLY 853 2HA GLY 853 1.069 6.959 -8.929 140 H VAL 854 H VAL 854 0.268 5.030 -6.201 141 HA VAL 854 HA VAL 854 2.676 6.004 -4.812 142 HB VAL 854 HB VAL 854 0.002 4.865 -3.994 143 1HG1 VAL 854 1HG1 VAL 854 0.710 4.382 -1.834 144 2HG1 VAL 854 2HG1 VAL 854 2.145 3.875 -2.758 145 3HG1 VAL 854 3HG1 VAL 854 2.124 5.458 -1.944 146 1HG2 VAL 854 1HG2 VAL 854 -0.300 7.115 -3.890 147 2HG2 VAL 854 2HG2 VAL 854 0.678 7.031 -2.405 148 3HG2 VAL 854 3HG2 VAL 854 1.449 7.439 -3.956 149 H ARG 855 H ARG 855 4.426 4.734 -5.205 150 HA ARG 855 HA ARG 855 4.079 1.805 -5.275 151 1HB ARG 855 1HB ARG 855 6.187 1.739 -6.291 152 2HB ARG 855 2HB ARG 855 5.520 3.276 -6.893 153 1HG ARG 855 1HG ARG 855 6.654 4.349 -4.819 154 2HG ARG 855 2HG ARG 855 7.575 2.830 -4.708 155 1HD ARG 855 1HD ARG 855 8.717 4.649 -6.042 156 2HD ARG 855 2HD ARG 855 8.475 3.127 -6.927 157 HE ARG 855 HE ARG 855 6.246 4.521 -7.607 158 1HH1 ARG 855 2HH2 ARG 855 9.678 5.365 -7.531 159 2HH1 ARG 855 1HH2 ARG 855 9.568 6.506 -8.852 160 1HH2 ARG 855 2HH1 ARG 855 6.100 6.028 -9.353 161 2HH2 ARG 855 1HH1 ARG 855 7.527 6.884 -9.891 162 H LEU 856 H LEU 856 3.589 1.369 -3.082 163 HA LEU 856 HA LEU 856 5.704 2.087 -1.126 164 1HB LEU 856 1HB LEU 856 4.063 2.162 0.440 165 2HB LEU 856 2HB LEU 856 2.970 2.287 -0.960 166 HG LEU 856 HG LEU 856 2.583 -0.101 -0.960 167 1HD1 LEU 856 1HD1 LEU 856 3.797 -1.185 1.267 168 2HD1 LEU 856 2HD1 LEU 856 4.412 -1.334 -0.396 169 3HD1 LEU 856 3HD1 LEU 856 5.050 -0.066 0.678 170 1HD2 LEU 856 1HD2 LEU 856 2.513 0.332 1.989 171 2HD2 LEU 856 2HD2 LEU 856 1.706 1.573 1.001 172 3HD2 LEU 856 3HD2 LEU 856 1.207 -0.130 0.872 173 H TYR 857 H TYR 857 6.932 0.543 -0.122 174 HA TYR 857 HA TYR 857 7.006 -2.078 -1.363 175 1HB TYR 857 1HB TYR 857 9.132 -1.611 -0.788 176 2HB TYR 857 2HB TYR 857 8.640 -0.436 0.443 177 HD1 TYR 857 1HD TYR 857 9.751 -0.948 2.416 178 HD2 TYR 857 2HD TYR 857 7.998 -4.124 0.115 179 HE1 TYR 857 1HE TYR 857 10.344 -2.566 4.199 180 HE2 TYR 857 2HE TYR 857 8.591 -5.742 1.898 181 HH TYR 857 HH TYR 857 10.031 -4.727 4.983 182 H LEU 858 H LEU 858 5.293 -3.384 -0.901 183 HA LEU 858 HA LEU 858 4.164 -3.458 1.790 184 1HB LEU 858 1HB LEU 858 2.812 -3.685 -0.319 185 2HB LEU 858 2HB LEU 858 3.613 -5.248 -0.606 186 HG LEU 858 HG LEU 858 2.378 -6.301 0.986 187 1HD1 LEU 858 1HD1 LEU 858 3.567 -5.308 2.839 188 2HD1 LEU 858 2HD1 LEU 858 2.726 -3.755 2.617 189 3HD1 LEU 858 3HD1 LEU 858 1.828 -5.177 3.197 190 1HD2 LEU 858 1HD2 LEU 858 0.201 -5.609 0.875 191 2HD2 LEU 858 2HD2 LEU 858 0.590 -3.965 1.435 192 3HD2 LEU 858 3HD2 LEU 858 0.855 -4.412 -0.268 193 HA PRO 859 HA PRO 859 7.230 -6.519 2.954 194 1HB PRO 859 1HB PRO 859 6.686 -6.482 5.623 195 2HB PRO 859 2HB PRO 859 7.521 -5.119 4.810 196 1HG PRO 859 1HG PRO 859 4.561 -5.361 5.419 197 2HG PRO 859 2HG PRO 859 5.648 -3.996 5.832 198 1HD PRO 859 1HD PRO 859 4.102 -3.953 3.588 199 2HD PRO 859 2HD PRO 859 5.776 -3.321 3.548 200 HA PRO 860 HA PRO 860 4.566 -10.045 2.925 201 1HB PRO 860 1HB PRO 860 6.346 -11.979 3.644 202 2HB PRO 860 2HB PRO 860 6.487 -11.094 2.089 203 1HG PRO 860 1HG PRO 860 7.919 -10.479 4.690 204 2HG PRO 860 2HG PRO 860 8.654 -10.695 3.068 205 1HD PRO 860 1HD PRO 860 8.058 -8.219 4.041 206 2HD PRO 860 2HD PRO 860 7.771 -8.611 2.318 207 H SER 861 H SER 861 6.308 -8.886 5.735 208 HA SER 861 HA SER 861 4.992 -10.740 7.575 209 1HB SER 861 1HB SER 861 7.233 -8.915 7.607 210 2HB SER 861 2HB SER 861 6.139 -8.547 8.963 211 HG SER 861 HG SER 861 6.189 -10.808 9.452 212 H THR 862 H THR 862 4.172 -7.875 5.924 213 HA THR 862 HA THR 862 2.627 -6.575 7.962 214 HB THR 862 HB THR 862 3.247 -6.248 5.142 215 HG1 THR 862 1HG THR 862 3.534 -4.849 7.071 216 1HG2 THR 862 1HG2 THR 862 0.861 -6.952 4.884 217 2HG2 THR 862 2HG2 THR 862 0.384 -5.651 6.002 218 3HG2 THR 862 3HG2 THR 862 1.123 -5.250 4.433 219 HA PRO 863 HA PRO 863 -0.888 -9.225 8.066 220 1HB PRO 863 1HB PRO 863 -2.690 -7.545 9.230 221 2HB PRO 863 2HB PRO 863 -1.246 -8.139 10.112 222 1HG PRO 863 1HG PRO 863 -1.543 -5.511 8.631 223 2HG PRO 863 2HG PRO 863 -0.987 -5.751 10.319 224 1HD PRO 863 1HD PRO 863 0.784 -5.492 8.264 225 2HD PRO 863 2HD PRO 863 1.084 -6.671 9.577 226 H ASP 864 H ASP 864 -2.679 -9.677 6.788 227 HA ASP 864 HA ASP 864 -4.204 -9.444 5.092 228 1HB ASP 864 1HB ASP 864 -4.020 -6.804 6.273 229 2HB ASP 864 2HB ASP 864 -4.257 -6.676 4.517 230 H PHE 865 H PHE 865 -1.065 -9.212 4.877 231 HA PHE 865 HA PHE 865 -0.279 -7.773 2.658 232 1HB PHE 865 1HB PHE 865 1.088 -9.290 4.173 233 2HB PHE 865 2HB PHE 865 0.519 -10.649 3.189 234 HD1 PHE 865 1HD PHE 865 2.087 -7.260 2.724 235 HD2 PHE 865 2HD PHE 865 1.871 -11.358 1.452 236 HE1 PHE 865 1HE PHE 865 3.917 -6.853 1.100 237 HE2 PHE 865 2HE PHE 865 3.701 -10.950 -0.172 238 HZ PHE 865 HZ PHE 865 4.724 -8.697 -0.347 239 H SER 866 H SER 866 -1.791 -11.044 2.690 240 HA SER 866 HA SER 866 -1.805 -11.899 0.183 241 1HB SER 866 1HB SER 866 -3.561 -12.147 2.339 242 2HB SER 866 2HB SER 866 -4.602 -11.615 0.997 243 HG SER 866 HG SER 866 -3.152 -13.957 1.321 244 H ARG 867 H ARG 867 -4.556 -9.727 0.967 245 HA ARG 867 HA ARG 867 -4.809 -8.915 -1.782 246 1HB ARG 867 1HB ARG 867 -6.005 -7.733 0.756 247 2HB ARG 867 2HB ARG 867 -6.559 -7.427 -0.907 248 1HG ARG 867 1HG ARG 867 -7.916 -9.219 -0.675 249 2HG ARG 867 2HG ARG 867 -6.451 -10.229 -0.699 250 1HD ARG 867 1HD ARG 867 -6.627 -10.694 1.503 251 2HD ARG 867 2HD ARG 867 -6.876 -8.984 1.914 252 HE ARG 867 HE ARG 867 -9.179 -9.320 1.908 253 1HH1 ARG 867 2HH2 ARG 867 -7.486 -12.101 0.528 254 2HH1 ARG 867 1HH2 ARG 867 -8.903 -13.125 0.503 255 1HH2 ARG 867 2HH1 ARG 867 -11.052 -10.674 1.874 256 2HH2 ARG 867 1HH1 ARG 867 -10.937 -12.312 1.271 257 H LEU 868 H LEU 868 -3.425 -7.460 1.180 258 HA LEU 868 HA LEU 868 -2.977 -4.878 0.565 259 1HB LEU 868 1HB LEU 868 -1.324 -6.988 1.868 260 2HB LEU 868 2HB LEU 868 -0.482 -5.485 1.422 261 HG LEU 868 HG LEU 868 -2.633 -5.947 3.441 262 1HD1 LEU 868 1HD1 LEU 868 -0.033 -4.604 3.139 263 2HD1 LEU 868 2HD1 LEU 868 -1.238 -3.591 3.970 264 3HD1 LEU 868 3HD1 LEU 868 -0.838 -5.204 4.609 265 1HD2 LEU 868 1HD2 LEU 868 -3.360 -3.544 3.218 266 2HD2 LEU 868 2HD2 LEU 868 -2.479 -3.470 1.673 267 3HD2 LEU 868 3HD2 LEU 868 -3.865 -4.572 1.855 268 H ARG 869 H ARG 869 -1.080 -7.615 -0.798 269 HA ARG 869 HA ARG 869 0.565 -5.945 -2.447 270 1HB ARG 869 1HB ARG 869 0.940 -8.380 -1.658 271 2HB ARG 869 2HB ARG 869 -0.132 -8.840 -3.003 272 1HG ARG 869 1HG ARG 869 1.729 -8.783 -4.297 273 2HG ARG 869 2HG ARG 869 1.606 -7.011 -4.179 274 1HD ARG 869 1HD ARG 869 3.781 -7.358 -3.424 275 2HD ARG 869 2HD ARG 869 2.879 -7.375 -1.893 276 HE ARG 869 HE ARG 869 2.843 -9.988 -2.488 277 1HH1 ARG 869 2HH2 ARG 869 5.450 -7.609 -2.701 278 2HH1 ARG 869 1HH2 ARG 869 6.721 -8.773 -2.402 279 1HH2 ARG 869 2HH1 ARG 869 4.523 -11.526 -2.093 280 2HH2 ARG 869 1HH1 ARG 869 6.193 -11.006 -2.055 281 H ARG 870 H ARG 870 -1.395 -8.502 -3.923 282 HA ARG 870 HA ARG 870 -1.846 -7.456 -6.354 283 1HB ARG 870 1HB ARG 870 -2.960 -9.498 -4.884 284 2HB ARG 870 2HB ARG 870 -4.364 -8.440 -5.160 285 1HG ARG 870 1HG ARG 870 -4.486 -9.500 -7.174 286 2HG ARG 870 2HG ARG 870 -3.158 -8.407 -7.634 287 1HD ARG 870 1HD ARG 870 -2.128 -10.694 -6.171 288 2HD ARG 870 2HD ARG 870 -3.107 -11.237 -7.551 289 HE ARG 870 HE ARG 870 -1.304 -9.118 -8.309 290 1HH1 ARG 870 2HH2 ARG 870 -1.512 -12.571 -7.576 291 2HH1 ARG 870 1HH2 ARG 870 -0.138 -13.003 -8.568 292 1HH2 ARG 870 2HH1 ARG 870 0.511 -9.690 -9.619 293 2HH2 ARG 870 1HH1 ARG 870 1.015 -11.361 -9.733 294 H TYR 871 H TYR 871 -4.201 -6.853 -3.678 295 HA TYR 871 HA TYR 871 -5.836 -5.015 -4.823 296 1HB TYR 871 1HB TYR 871 -5.776 -5.864 -2.419 297 2HB TYR 871 2HB TYR 871 -4.605 -4.575 -2.091 298 HD1 TYR 871 1HD TYR 871 -7.764 -4.662 -4.126 299 HD2 TYR 871 2HD TYR 871 -5.630 -2.925 -0.828 300 HE1 TYR 871 1HE TYR 871 -9.625 -3.064 -3.764 301 HE2 TYR 871 2HE TYR 871 -7.491 -1.327 -0.465 302 HH TYR 871 HH TYR 871 -10.331 -1.513 -1.231 303 H PHE 872 H PHE 872 -3.151 -3.761 -2.788 304 HA PHE 872 HA PHE 872 -3.070 -1.187 -3.636 305 1HB PHE 872 1HB PHE 872 -1.561 -2.291 -1.969 306 2HB PHE 872 2HB PHE 872 -0.612 -2.939 -3.317 307 HD1 PHE 872 1HD PHE 872 -0.044 -0.962 -5.150 308 HD2 PHE 872 2HD PHE 872 -0.646 -0.448 -0.928 309 HE1 PHE 872 1HE PHE 872 1.294 1.125 -5.214 310 HE2 PHE 872 2HE PHE 872 0.692 1.639 -0.992 311 HZ PHE 872 HZ PHE 872 1.662 2.426 -3.134 312 H VAL 873 H VAL 873 -0.319 -2.924 -4.968 313 HA VAL 873 HA VAL 873 0.148 -1.590 -7.218 314 HB VAL 873 HB VAL 873 1.541 -3.402 -7.078 315 1HG1 VAL 873 1HG1 VAL 873 0.754 -5.694 -6.488 316 2HG1 VAL 873 2HG1 VAL 873 0.269 -4.486 -5.275 317 3HG1 VAL 873 3HG1 VAL 873 -0.920 -5.090 -6.453 318 1HG2 VAL 873 1HG2 VAL 873 -0.558 -4.753 -8.807 319 2HG2 VAL 873 2HG2 VAL 873 0.368 -3.345 -9.379 320 3HG2 VAL 873 3HG2 VAL 873 1.215 -4.848 -8.942 321 H ALA 874 H ALA 874 -2.576 -3.870 -6.816 322 HA ALA 874 HA ALA 874 -3.490 -3.873 -9.483 323 1HB ALA 874 1HB ALA 874 -4.372 -5.448 -7.900 324 2HB ALA 874 2HB ALA 874 -4.930 -4.146 -6.821 325 3HB ALA 874 3HB ALA 874 -5.724 -4.400 -8.394 326 H PHE 875 H PHE 875 -4.026 -1.581 -6.795 327 HA PHE 875 HA PHE 875 -6.090 -0.046 -7.863 328 1HB PHE 875 1HB PHE 875 -3.639 0.936 -6.364 329 2HB PHE 875 2HB PHE 875 -5.192 1.779 -6.503 330 HD1 PHE 875 1HD PHE 875 -4.820 1.754 -3.905 331 HD2 PHE 875 2HD PHE 875 -5.709 -1.727 -6.259 332 HE1 PHE 875 1HE PHE 875 -5.631 0.587 -1.872 333 HE2 PHE 875 2HE PHE 875 -6.520 -2.894 -4.226 334 HZ PHE 875 HZ PHE 875 -6.481 -1.737 -2.033 335 H ASP 876 H ASP 876 -2.551 0.219 -8.454 336 HA ASP 876 HA ASP 876 -2.384 0.714 -11.053 337 1HB ASP 876 1HB ASP 876 -3.909 2.936 -9.806 338 2HB ASP 876 2HB ASP 876 -2.615 3.427 -10.921 339 H GLY 877 H GLY 877 -1.198 0.751 -8.074 340 1HA GLY 877 1HA GLY 877 1.049 2.612 -8.604 341 2HA GLY 877 2HA GLY 877 0.652 1.846 -7.049 342 H ASP 878 H ASP 878 2.648 0.883 -6.662 343 HA ASP 878 HA ASP 878 3.149 -1.567 -8.170 344 1HB ASP 878 1HB ASP 878 4.745 0.897 -8.541 345 2HB ASP 878 2HB ASP 878 5.699 -0.555 -8.169 346 H LEU 879 H LEU 879 4.761 -2.930 -7.089 347 HA LEU 879 HA LEU 879 5.288 -2.088 -4.283 348 1HB LEU 879 1HB LEU 879 4.416 -4.869 -5.143 349 2HB LEU 879 2HB LEU 879 4.623 -4.258 -3.484 350 HG LEU 879 HG LEU 879 2.492 -3.531 -5.517 351 1HD1 LEU 879 1HD1 LEU 879 2.673 -4.839 -2.830 352 2HD1 LEU 879 2HD1 LEU 879 1.255 -3.807 -3.133 353 3HD1 LEU 879 3HD1 LEU 879 1.592 -5.192 -4.199 354 1HD2 LEU 879 1HD2 LEU 879 2.059 -1.983 -3.220 355 2HD2 LEU 879 2HD2 LEU 879 3.801 -1.807 -3.542 356 3HD2 LEU 879 3HD2 LEU 879 2.616 -1.388 -4.803 357 H VAL 880 H VAL 880 7.399 -2.190 -3.819 358 HA VAL 880 HA VAL 880 9.110 -3.899 -5.550 359 HB VAL 880 HB VAL 880 10.503 -2.026 -3.801 360 1HG1 VAL 880 1HG1 VAL 880 10.251 -2.049 -6.831 361 2HG1 VAL 880 2HG1 VAL 880 11.617 -1.468 -5.848 362 3HG1 VAL 880 3HG1 VAL 880 11.266 -3.211 -5.943 363 1HG2 VAL 880 1HG2 VAL 880 8.818 -0.445 -3.855 364 2HG2 VAL 880 2HG2 VAL 880 9.587 -0.089 -5.421 365 3HG2 VAL 880 3HG2 VAL 880 8.116 -1.090 -5.359 366 H GLN 881 H GLN 881 10.503 -5.403 -4.651 367 HA GLN 881 HA GLN 881 9.748 -6.468 -2.092 368 1HB GLN 881 1HB GLN 881 12.230 -7.079 -3.738 369 2HB GLN 881 2HB GLN 881 11.442 -8.127 -2.534 370 1HG GLN 881 1HG GLN 881 9.406 -8.202 -3.943 371 2HG GLN 881 2HG GLN 881 10.204 -7.169 -5.148 372 1HE2 GLN 881 1HE2 GLN 881 10.305 -10.347 -3.520 373 2HE2 GLN 881 2HE2 GLN 881 11.211 -11.169 -4.772 374 H GLU 882 H GLU 882 10.585 -6.124 -0.098 375 HA GLU 882 HA GLU 882 11.801 -3.973 0.833 376 1HB GLU 882 1HB GLU 882 11.269 -5.997 2.181 377 2HB GLU 882 2HB GLU 882 12.753 -6.768 1.573 378 1HG GLU 882 1HG GLU 882 13.807 -4.434 2.422 379 2HG GLU 882 2HG GLU 882 12.418 -4.527 3.527 380 H PHE 883 H PHE 883 13.985 -6.735 0.052 381 HA PHE 883 HA PHE 883 16.295 -5.084 -0.121 382 1HB PHE 883 1HB PHE 883 17.392 -7.051 -0.940 383 2HB PHE 883 2HB PHE 883 16.232 -7.553 0.302 384 HD1 PHE 883 1HD PHE 883 14.207 -8.794 -0.292 385 HD2 PHE 883 2HD PHE 883 17.077 -7.645 -3.274 386 HE1 PHE 883 1HE PHE 883 13.184 -10.389 -1.891 387 HE2 PHE 883 2HE PHE 883 16.054 -9.239 -4.874 388 HZ PHE 883 HZ PHE 883 14.107 -10.612 -4.183 389 H ASP 884 H ASP 884 13.720 -4.626 -1.913 390 HA ASP 884 HA ASP 884 15.309 -3.829 -4.273 391 1HB ASP 884 1HB ASP 884 12.782 -5.519 -4.375 392 2HB ASP 884 2HB ASP 884 13.547 -4.745 -5.780 393 H MET 885 H MET 885 15.062 -1.668 -3.643 394 HA MET 885 HA MET 885 12.368 -0.586 -4.157 395 1HB MET 885 1HB MET 885 13.009 0.949 -2.031 396 2HB MET 885 2HB MET 885 12.042 -0.539 -1.889 397 1HG MET 885 1HG MET 885 14.284 -1.765 -1.617 398 2HG MET 885 2HG MET 885 15.005 -0.164 -1.380 399 1HE MET 885 1HE MET 885 12.325 -2.664 1.245 400 2HE MET 885 2HE MET 885 11.331 -1.444 0.413 401 3HE MET 885 3HE MET 885 12.348 -2.558 -0.532 402 H THR 886 H THR 886 15.856 -0.132 -3.590 403 HA THR 886 HA THR 886 16.718 2.231 -3.899 404 HB THR 886 HB THR 886 18.265 1.644 -5.570 405 HG1 THR 886 1HG THR 886 17.724 0.569 -7.338 406 1HG2 THR 886 1HG2 THR 886 18.845 -0.642 -5.095 407 2HG2 THR 886 2HG2 THR 886 18.066 -0.002 -3.629 408 3HG2 THR 886 3HG2 THR 886 17.154 -1.061 -4.730 409 H SER 887 H SER 887 14.759 0.904 -6.622 410 HA SER 887 HA SER 887 14.359 3.665 -7.603 411 1HB SER 887 1HB SER 887 14.346 0.946 -8.750 412 2HB SER 887 2HB SER 887 13.009 1.976 -9.316 413 HG SER 887 HG SER 887 14.527 2.690 -10.598 414 H ALA 888 H ALA 888 12.868 1.284 -5.634 415 HA ALA 888 HA ALA 888 10.168 1.440 -6.148 416 1HB ALA 888 1HB ALA 888 10.842 0.050 -4.372 417 2HB ALA 888 2HB ALA 888 11.754 1.353 -3.574 418 3HB ALA 888 3HB ALA 888 9.975 1.372 -3.554 419 H THR 889 H THR 889 8.591 2.684 -4.492 420 HA THR 889 HA THR 889 9.398 5.551 -4.512 421 HB THR 889 HB THR 889 7.631 4.492 -6.301 422 HG1 THR 889 1HG THR 889 6.810 6.687 -6.328 423 1HG2 THR 889 1HG2 THR 889 6.230 3.995 -4.100 424 2HG2 THR 889 2HG2 THR 889 5.809 5.718 -4.239 425 3HG2 THR 889 3HG2 THR 889 5.423 4.598 -5.567 426 H HIS 890 H HIS 890 7.268 2.991 -3.190 427 HA HIS 890 HA HIS 890 7.163 4.571 -0.665 428 1HB HIS 890 1HB HIS 890 4.997 3.072 -2.143 429 2HB HIS 890 2HB HIS 890 4.896 3.342 -0.393 430 HD1 HIS 890 1HD HIS 890 6.147 5.964 -2.949 431 HD2 HIS 890 2HD HIS 890 2.970 5.134 -0.316 432 HE1 HIS 890 1HE HIS 890 4.686 8.061 -2.876 433 H VAL 891 H VAL 891 6.808 3.204 1.279 434 HA VAL 891 HA VAL 891 7.515 0.365 0.964 435 HB VAL 891 HB VAL 891 9.357 0.666 2.692 436 1HG1 VAL 891 1HG1 VAL 891 9.499 1.789 -0.119 437 2HG1 VAL 891 2HG1 VAL 891 10.946 1.707 0.914 438 3HG1 VAL 891 3HG1 VAL 891 10.074 0.216 0.483 439 1HG2 VAL 891 1HG2 VAL 891 8.719 2.901 3.483 440 2HG2 VAL 891 2HG2 VAL 891 10.359 2.951 2.792 441 3HG2 VAL 891 3HG2 VAL 891 8.979 3.573 1.855 442 H LEU 892 H LEU 892 6.285 -0.791 2.326 443 HA LEU 892 HA LEU 892 4.660 0.580 4.304 444 1HB LEU 892 1HB LEU 892 4.430 -1.729 2.777 445 2HB LEU 892 2HB LEU 892 4.732 -2.355 4.416 446 HG LEU 892 HG LEU 892 2.898 -0.129 4.572 447 1HD1 LEU 892 1HD1 LEU 892 1.074 -1.735 3.353 448 2HD1 LEU 892 2HD1 LEU 892 1.895 -0.390 2.526 449 3HD1 LEU 892 3HD1 LEU 892 2.494 -2.054 2.329 450 1HD2 LEU 892 1HD2 LEU 892 1.452 -2.345 5.221 451 2HD2 LEU 892 2HD2 LEU 892 3.102 -3.002 5.338 452 3HD2 LEU 892 3HD2 LEU 892 2.635 -1.591 6.316 453 H GLY 893 H GLY 893 5.215 0.978 6.362 454 1HA GLY 893 1HA GLY 893 6.456 0.963 8.300 455 2HA GLY 893 2HA GLY 893 6.349 -0.806 8.159 456 H SER 894 H SER 894 8.452 1.833 8.282 457 HA SER 894 HA SER 894 10.771 1.768 8.331 458 1HB SER 894 1HB SER 894 10.509 -0.928 6.943 459 2HB SER 894 2HB SER 894 11.995 -0.235 7.635 460 HG SER 894 HG SER 894 9.620 -0.974 9.002 461 H ARG 895 H ARG 895 12.577 1.955 6.685 462 HA ARG 895 HA ARG 895 11.608 2.254 3.911 463 1HB ARG 895 1HB ARG 895 12.608 4.555 3.823 464 2HB ARG 895 2HB ARG 895 11.173 4.442 4.869 465 1HG ARG 895 1HG ARG 895 12.495 4.438 6.857 466 2HG ARG 895 2HG ARG 895 13.994 4.124 5.949 467 1HD ARG 895 1HD ARG 895 12.879 6.471 4.823 468 2HD ARG 895 2HD ARG 895 12.728 6.660 6.583 469 HE ARG 895 HE ARG 895 15.339 5.699 5.968 470 1HH1 ARG 895 2HH2 ARG 895 13.300 8.570 5.649 471 2HH1 ARG 895 1HH2 ARG 895 14.641 9.693 5.680 472 1HH2 ARG 895 2HH1 ARG 895 17.110 7.183 6.009 473 2HH2 ARG 895 1HH1 ARG 895 16.813 8.902 5.886 474 H ASP 896 H ASP 896 14.214 2.175 6.322 475 HA ASP 896 HA ASP 896 16.569 2.418 5.338 476 1HB ASP 896 1HB ASP 896 16.506 0.972 7.168 477 2HB ASP 896 2HB ASP 896 15.381 -0.150 6.374 478 H LYS 897 H LYS 897 15.160 -0.712 4.271 479 HA LYS 897 HA LYS 897 16.688 -1.318 2.159 480 1HB LYS 897 1HB LYS 897 14.062 -1.612 1.130 481 2HB LYS 897 2HB LYS 897 15.038 -2.830 1.986 482 1HG LYS 897 1HG LYS 897 13.095 -2.686 3.311 483 2HG LYS 897 2HG LYS 897 14.230 -1.604 4.152 484 1HD LYS 897 1HD LYS 897 13.233 0.273 2.661 485 2HD LYS 897 2HD LYS 897 11.914 -0.877 2.333 486 1HE LYS 897 1HE LYS 897 12.032 -1.122 5.018 487 2HE LYS 897 2HE LYS 897 12.637 0.543 4.866 488 1HZ LYS 897 1HZ LYS 897 10.690 1.207 3.882 489 2HZ LYS 897 2HZ LYS 897 10.205 -0.323 3.503 490 3HZ LYS 897 3HZ LYS 897 10.171 0.188 5.071 491 H ASN 898 H ASN 898 14.365 1.367 2.259 492 HA ASN 898 HA ASN 898 15.704 2.617 0.001 493 1HB ASN 898 1HB ASN 898 13.543 0.907 -0.558 494 2HB ASN 898 2HB ASN 898 12.859 2.546 -0.606 495 1HD2 ASN 898 1HD2 ASN 898 12.627 2.823 -2.806 496 2HD2 ASN 898 2HD2 ASN 898 13.965 2.808 -3.934 497 HA PRO 899 HA PRO 899 14.158 5.617 3.033 498 1HB PRO 899 1HB PRO 899 16.172 7.421 2.691 499 2HB PRO 899 2HB PRO 899 16.415 5.894 3.599 500 1HG PRO 899 1HG PRO 899 17.052 6.419 0.682 501 2HG PRO 899 2HG PRO 899 18.148 5.742 1.930 502 1HD PRO 899 1HD PRO 899 16.752 4.125 0.238 503 2HD PRO 899 2HD PRO 899 16.950 3.681 1.960 504 H ALA 900 H ALA 900 14.636 5.555 -0.373 505 HA ALA 900 HA ALA 900 13.642 8.284 -0.808 506 1HB ALA 900 1HB ALA 900 15.337 7.491 -2.326 507 2HB ALA 900 2HB ALA 900 14.423 5.999 -2.655 508 3HB ALA 900 3HB ALA 900 13.805 7.566 -3.229 509 H ALA 901 H ALA 901 12.298 5.352 0.058 510 HA ALA 901 HA ALA 901 9.898 5.622 -1.631 511 1HB ALA 901 1HB ALA 901 9.249 3.505 -0.693 512 2HB ALA 901 2HB ALA 901 10.982 3.396 -1.087 513 3HB ALA 901 3HB ALA 901 10.466 3.637 0.600 514 H GLN 902 H GLN 902 8.107 4.572 0.426 515 HA GLN 902 HA GLN 902 7.933 6.947 2.218 516 1HB GLN 902 1HB GLN 902 5.868 5.672 0.425 517 2HB GLN 902 2HB GLN 902 5.367 6.498 1.920 518 1HG GLN 902 1HG GLN 902 7.013 7.689 -0.350 519 2HG GLN 902 2HG GLN 902 5.325 8.077 0.048 520 1HE2 GLN 902 1HE2 GLN 902 5.961 7.828 3.006 521 2HE2 GLN 902 2HE2 GLN 902 6.765 9.328 3.416 522 H GLN 903 H GLN 903 7.627 6.489 4.335 523 HA GLN 903 HA GLN 903 7.504 3.656 5.094 524 1HB GLN 903 1HB GLN 903 8.013 6.269 6.529 525 2HB GLN 903 2HB GLN 903 7.700 4.768 7.434 526 1HG GLN 903 1HG GLN 903 9.795 4.042 7.052 527 2HG GLN 903 2HG GLN 903 9.592 4.258 5.300 528 1HE2 GLN 903 1HE2 GLN 903 10.076 6.351 4.349 529 2HE2 GLN 903 2HE2 GLN 903 11.195 7.438 5.144 530 H VAL 904 H VAL 904 5.204 3.883 3.936 531 HA VAL 904 HA VAL 904 3.148 5.007 5.677 532 HB VAL 904 HB VAL 904 1.860 4.857 3.828 533 1HG1 VAL 904 1HG1 VAL 904 3.053 4.963 1.817 534 2HG1 VAL 904 2HG1 VAL 904 4.330 5.297 3.011 535 3HG1 VAL 904 3HG1 VAL 904 4.179 3.672 2.300 536 1HG2 VAL 904 1HG2 VAL 904 1.269 2.564 4.139 537 2HG2 VAL 904 2HG2 VAL 904 1.817 2.683 2.450 538 3HG2 VAL 904 3HG2 VAL 904 2.899 2.005 3.690 539 H SER 905 H SER 905 1.199 3.495 6.167 540 HA SER 905 HA SER 905 2.221 0.851 7.082 541 1HB SER 905 1HB SER 905 1.534 1.209 9.235 542 2HB SER 905 2HB SER 905 1.841 2.907 8.798 543 HG SER 905 HG SER 905 -0.181 3.085 9.379 544 HA PRO 906 HA PRO 906 -1.650 -0.896 5.866 545 1HB PRO 906 1HB PRO 906 -2.960 -1.877 8.045 546 2HB PRO 906 2HB PRO 906 -1.362 -2.514 7.536 547 1HG PRO 906 1HG PRO 906 -1.913 -0.400 9.638 548 2HG PRO 906 2HG PRO 906 -0.923 -1.886 9.821 549 1HD PRO 906 1HD PRO 906 0.217 0.517 9.226 550 2HD PRO 906 2HD PRO 906 0.804 -0.983 8.448 551 H GLU 907 H GLU 907 -1.892 1.559 8.402 552 HA GLU 907 HA GLU 907 -4.727 2.018 8.062 553 1HB GLU 907 1HB GLU 907 -2.635 2.845 9.817 554 2HB GLU 907 2HB GLU 907 -3.341 4.314 9.102 555 1HG GLU 907 1HG GLU 907 -4.997 4.091 10.623 556 2HG GLU 907 2HG GLU 907 -5.565 2.725 9.640 557 H TRP 908 H TRP 908 -1.756 3.136 6.528 558 HA TRP 908 HA TRP 908 -2.848 5.492 5.324 559 1HB TRP 908 1HB TRP 908 -0.445 5.066 5.588 560 2HB TRP 908 2HB TRP 908 -0.559 3.687 4.486 561 HD1 TRP 908 HD TRP 908 -0.773 7.516 4.504 562 HE1 TRP 908 1HE TRP 908 -0.261 8.418 2.178 563 HE3 TRP 908 3HE TRP 908 -0.495 3.082 1.963 564 HZ2 TRP 908 2HZ TRP 908 0.213 7.353 -0.471 565 HZ3 TRP 908 3HZ TRP 908 -0.012 3.066 -0.457 566 HH2 TRP 908 HH TRP 908 0.344 5.187 -1.686 567 H ILE 909 H ILE 909 -2.420 2.109 4.181 568 HA ILE 909 HA ILE 909 -3.363 2.421 1.572 569 HB ILE 909 HB ILE 909 -3.223 0.205 3.570 570 1HG1 ILE 909 1HG1 ILE 909 -2.501 -0.471 0.873 571 2HG1 ILE 909 2HG1 ILE 909 -1.846 1.143 1.235 572 1HG2 ILE 909 1HG2 ILE 909 -5.490 -0.093 2.676 573 2HG2 ILE 909 2HG2 ILE 909 -4.881 0.090 1.014 574 3HG2 ILE 909 3HG2 ILE 909 -4.404 -1.323 1.986 575 1HD1 ILE 909 1HD1 ILE 909 -0.293 -0.725 1.879 576 2HD1 ILE 909 2HD1 ILE 909 -0.764 0.302 3.254 577 3HD1 ILE 909 3HD1 ILE 909 -1.520 -1.294 3.035 578 H TRP 910 H TRP 910 -5.257 1.572 4.529 579 HA TRP 910 HA TRP 910 -7.782 1.612 3.225 580 1HB TRP 910 1HB TRP 910 -7.349 2.351 6.114 581 2HB TRP 910 2HB TRP 910 -8.696 1.468 5.382 582 HD1 TRP 910 HD TRP 910 -6.015 0.837 7.599 583 HE1 TRP 910 1HE TRP 910 -5.214 -1.581 7.599 584 HE3 TRP 910 3HE TRP 910 -8.140 -0.718 3.210 585 HZ2 TRP 910 2HZ TRP 910 -5.459 -3.914 5.906 586 HZ3 TRP 910 3HZ TRP 910 -7.835 -3.041 2.438 587 HH2 TRP 910 HH TRP 910 -6.500 -4.648 3.770 588 H ALA 911 H ALA 911 -6.283 4.074 5.404 589 HA ALA 911 HA ALA 911 -8.195 6.073 5.068 590 1HB ALA 911 1HB ALA 911 -6.437 7.620 5.767 591 2HB ALA 911 2HB ALA 911 -6.303 6.104 6.690 592 3HB ALA 911 3HB ALA 911 -5.185 6.428 5.343 593 H CYS 912 H CYS 912 -5.493 5.120 2.959 594 HA CYS 912 HA CYS 912 -5.759 7.392 1.194 595 1HB CYS 912 1HB CYS 912 -4.423 4.674 0.865 596 2HB CYS 912 2HB CYS 912 -4.256 6.037 -0.270 597 HG CYS 912 HG CYS 912 -3.962 6.913 2.778 598 H ILE 913 H ILE 913 -6.208 3.902 0.418 599 HA ILE 913 HA ILE 913 -7.706 4.187 -1.869 600 HB ILE 913 HB ILE 913 -6.941 2.023 -1.095 601 1HG1 ILE 913 1HG1 ILE 913 -9.976 1.961 -0.937 602 2HG1 ILE 913 2HG1 ILE 913 -9.105 2.251 -2.462 603 1HG2 ILE 913 1HG2 ILE 913 -8.916 1.444 0.929 604 2HG2 ILE 913 2HG2 ILE 913 -7.142 1.418 1.065 605 3HG2 ILE 913 3HG2 ILE 913 -8.037 2.923 1.383 606 1HD1 ILE 913 1HD1 ILE 913 -9.776 -0.212 -1.776 607 2HD1 ILE 913 2HD1 ILE 913 -8.181 0.104 -2.498 608 3HD1 ILE 913 3HD1 ILE 913 -8.335 -0.102 -0.737 609 H ARG 914 H ARG 914 -8.762 4.579 1.498 610 HA ARG 914 HA ARG 914 -11.578 4.683 0.856 611 1HB ARG 914 1HB ARG 914 -10.618 4.065 3.094 612 2HB ARG 914 2HB ARG 914 -10.105 5.758 3.291 613 1HG ARG 914 1HG ARG 914 -12.927 5.453 2.466 614 2HG ARG 914 2HG ARG 914 -12.562 4.746 4.059 615 1HD ARG 914 1HD ARG 914 -11.501 6.878 4.751 616 2HD ARG 914 2HD ARG 914 -11.892 7.581 3.167 617 HE ARG 914 HE ARG 914 -14.069 7.904 3.873 618 1HH1 ARG 914 2HH2 ARG 914 -12.433 5.587 5.984 619 2HH1 ARG 914 1HH2 ARG 914 -13.743 5.509 7.141 620 1HH2 ARG 914 2HH1 ARG 914 -15.799 7.800 5.401 621 2HH2 ARG 914 1HH1 ARG 914 -15.662 6.771 6.808 622 H LYS 915 H LYS 915 -8.899 6.997 1.064 623 HA LYS 915 HA LYS 915 -10.729 9.281 0.811 624 1HB LYS 915 1HB LYS 915 -7.705 9.009 0.970 625 2HB LYS 915 2HB LYS 915 -8.551 10.564 0.787 626 1HG LYS 915 1HG LYS 915 -9.341 8.649 2.991 627 2HG LYS 915 2HG LYS 915 -7.937 9.724 3.197 628 1HD LYS 915 1HD LYS 915 -9.305 11.690 2.824 629 2HD LYS 915 2HD LYS 915 -10.705 10.688 2.372 630 1HE LYS 915 1HE LYS 915 -11.320 10.721 4.538 631 2HE LYS 915 2HE LYS 915 -9.898 9.713 4.884 632 1HZ LYS 915 1HZ LYS 915 -8.714 11.960 4.902 633 2HZ LYS 915 2HZ LYS 915 -10.218 12.589 5.155 634 3HZ LYS 915 3HZ LYS 915 -9.590 11.498 6.221 635 H ARG 916 H ARG 916 -9.661 6.949 -1.254 636 HA ARG 916 HA ARG 916 -9.365 6.815 -3.522 637 1HB ARG 916 1HB ARG 916 -11.498 8.678 -2.981 638 2HB ARG 916 2HB ARG 916 -10.614 9.205 -4.434 639 1HG ARG 916 1HG ARG 916 -11.206 6.281 -4.187 640 2HG ARG 916 2HG ARG 916 -12.580 7.359 -4.530 641 1HD ARG 916 1HD ARG 916 -10.212 8.034 -6.121 642 2HD ARG 916 2HD ARG 916 -10.749 6.363 -6.396 643 HE ARG 916 HE ARG 916 -12.809 8.480 -6.484 644 1HH1 ARG 916 2HH2 ARG 916 -10.651 6.255 -8.185 645 2HH1 ARG 916 1HH2 ARG 916 -11.528 6.343 -9.696 646 1HH2 ARG 916 2HH1 ARG 916 -13.966 8.597 -8.480 647 2HH2 ARG 916 1HH1 ARG 916 -13.418 7.679 -9.864 648 H ARG 917 H ARG 917 -7.625 8.732 -1.712 649 HA ARG 917 HA ARG 917 -5.906 9.563 -3.914 650 1HB ARG 917 1HB ARG 917 -6.032 11.874 -3.646 651 2HB ARG 917 2HB ARG 917 -7.735 11.401 -3.437 652 1HG ARG 917 1HG ARG 917 -7.350 12.814 -1.591 653 2HG ARG 917 2HG ARG 917 -7.116 11.189 -0.904 654 1HD ARG 917 1HD ARG 917 -5.022 11.754 -0.315 655 2HD ARG 917 2HD ARG 917 -4.621 12.003 -2.028 656 HE ARG 917 HE ARG 917 -5.356 14.070 -0.051 657 1HH1 ARG 917 2HH2 ARG 917 -4.659 13.174 -3.400 658 2HH1 ARG 917 1HH2 ARG 917 -4.327 14.814 -3.913 659 1HH2 ARG 917 2HH1 ARG 917 -4.917 16.235 -0.730 660 2HH2 ARG 917 1HH1 ARG 917 -4.474 16.559 -2.391 661 H LEU 918 H LEU 918 -3.874 9.151 -3.282 662 HA LEU 918 HA LEU 918 -3.081 8.060 -0.916 663 1HB LEU 918 1HB LEU 918 -1.623 9.926 -2.808 664 2HB LEU 918 2HB LEU 918 -0.810 9.168 -1.418 665 HG LEU 918 HG LEU 918 -0.412 7.581 -3.081 666 1HD1 LEU 918 1HD1 LEU 918 -1.630 5.691 -2.452 667 2HD1 LEU 918 2HD1 LEU 918 -1.957 6.782 -1.084 668 3HD1 LEU 918 3HD1 LEU 918 -3.169 6.582 -2.373 669 1HD2 LEU 918 1HD2 LEU 918 -3.246 7.918 -4.134 670 2HD2 LEU 918 2HD2 LEU 918 -1.871 8.875 -4.735 671 3HD2 LEU 918 3HD2 LEU 918 -1.875 7.106 -4.926 672 H VAL 919 H VAL 919 -3.001 8.659 1.166 673 HA VAL 919 HA VAL 919 -3.326 11.546 1.775 674 HB VAL 919 HB VAL 919 -4.469 10.906 3.664 675 1HG1 VAL 919 1HG1 VAL 919 -4.824 9.073 1.418 676 2HG1 VAL 919 2HG1 VAL 919 -5.228 8.288 2.963 677 3HG1 VAL 919 3HG1 VAL 919 -6.047 9.796 2.489 678 1HG2 VAL 919 1HG2 VAL 919 -2.313 8.909 3.787 679 2HG2 VAL 919 2HG2 VAL 919 -3.192 9.715 5.109 680 3HG2 VAL 919 3HG2 VAL 919 -3.879 8.266 4.337 681 H ALA 920 H ALA 920 -2.384 11.373 4.466 682 HA ALA 920 HA ALA 920 0.436 11.746 3.985 683 1HB ALA 920 1HB ALA 920 -0.857 13.094 5.607 684 2HB ALA 920 2HB ALA 920 -1.152 11.632 6.580 685 3HB ALA 920 3HB ALA 920 0.504 12.257 6.393 686 HA PRO 921 HA PRO 921 1.326 7.397 4.585 687 1HB PRO 921 1HB PRO 921 3.932 7.511 3.799 688 2HB PRO 921 2HB PRO 921 2.584 7.675 2.628 689 1HG PRO 921 1HG PRO 921 4.130 9.908 3.974 690 2HG PRO 921 2HG PRO 921 3.825 9.700 2.218 691 1HD PRO 921 1HD PRO 921 2.243 11.301 3.756 692 2HD PRO 921 2HD PRO 921 1.524 10.268 2.484 693 H CYS 922 H CYS 922 1.843 6.469 6.493 694 HA CYS 922 HA CYS 922 4.116 7.304 8.056 695 1HB CYS 922 1HB CYS 922 2.153 9.025 8.481 696 2HB CYS 922 2HB CYS 922 1.497 7.709 9.487 697 HG CYS 922 HG CYS 922 4.339 9.356 9.620 Start of MODEL 2 1 H GLY 835 H GLY 835 -13.443 -2.888 12.636 2 1HA GLY 835 1HA GLY 835 -11.253 -3.734 11.666 3 2HA GLY 835 2HA GLY 835 -12.240 -5.013 10.923 4 H SER 836 H SER 836 -10.572 -2.694 9.802 5 HA SER 836 HA SER 836 -12.673 -1.156 8.404 6 1HB SER 836 1HB SER 836 -9.814 -0.806 9.070 7 2HB SER 836 2HB SER 836 -10.256 -0.284 7.426 8 HG SER 836 HG SER 836 -10.630 1.413 8.807 9 H ALA 837 H ALA 837 -9.645 -2.917 7.517 10 HA ALA 837 HA ALA 837 -9.927 -3.078 4.810 11 1HB ALA 837 1HB ALA 837 -8.168 -4.128 6.410 12 2HB ALA 837 2HB ALA 837 -9.236 -5.553 6.407 13 3HB ALA 837 3HB ALA 837 -8.526 -4.969 4.883 14 H ASP 838 H ASP 838 -11.237 -5.604 7.040 15 HA ASP 838 HA ASP 838 -12.676 -7.084 5.214 16 1HB ASP 838 1HB ASP 838 -13.721 -6.318 7.958 17 2HB ASP 838 2HB ASP 838 -14.012 -7.823 7.060 18 H GLU 839 H GLU 839 -13.583 -3.974 6.730 19 HA GLU 839 HA GLU 839 -16.219 -3.965 5.515 20 1HB GLU 839 1HB GLU 839 -14.644 -2.329 7.374 21 2HB GLU 839 2HB GLU 839 -15.605 -1.352 6.238 22 1HG GLU 839 1HG GLU 839 -17.162 -3.614 7.169 23 2HG GLU 839 2HG GLU 839 -16.519 -2.710 8.557 24 H THR 840 H THR 840 -12.971 -2.900 4.660 25 HA THR 840 HA THR 840 -13.880 -1.139 2.529 26 HB THR 840 HB THR 840 -11.105 -2.308 2.803 27 HG1 THR 840 1HG THR 840 -10.799 -0.459 4.238 28 1HG2 THR 840 1HG2 THR 840 -12.234 0.396 1.957 29 2HG2 THR 840 2HG2 THR 840 -10.505 -0.026 2.004 30 3HG2 THR 840 3HG2 THR 840 -11.595 -0.862 0.871 31 H LEU 841 H LEU 841 -12.313 -4.378 2.737 32 HA LEU 841 HA LEU 841 -12.386 -4.847 -0.083 33 1HB LEU 841 1HB LEU 841 -11.979 -6.510 2.396 34 2HB LEU 841 2HB LEU 841 -12.210 -7.316 0.825 35 HG LEU 841 HG LEU 841 -9.784 -6.491 1.725 36 1HD1 LEU 841 1HD1 LEU 841 -9.919 -5.994 -1.134 37 2HD1 LEU 841 2HD1 LEU 841 -9.218 -7.381 -0.268 38 3HD1 LEU 841 3HD1 LEU 841 -10.944 -7.383 -0.701 39 1HD2 LEU 841 1HD2 LEU 841 -9.745 -4.218 1.726 40 2HD2 LEU 841 2HD2 LEU 841 -9.634 -4.370 -0.044 41 3HD2 LEU 841 3HD2 LEU 841 -11.215 -4.104 0.729 42 H CYS 842 H CYS 842 -14.890 -4.471 2.086 43 HA CYS 842 HA CYS 842 -16.667 -6.572 1.576 44 1HB CYS 842 1HB CYS 842 -16.791 -4.395 3.098 45 2HB CYS 842 2HB CYS 842 -17.675 -3.742 1.697 46 HG CYS 842 HG CYS 842 -19.231 -4.729 3.681 47 H GLN 843 H GLN 843 -15.222 -4.510 -0.665 48 HA GLN 843 HA GLN 843 -17.472 -4.908 -2.582 49 1HB GLN 843 1HB GLN 843 -15.278 -2.863 -2.928 50 2HB GLN 843 2HB GLN 843 -16.923 -2.876 -3.608 51 1HG GLN 843 1HG GLN 843 -17.018 -2.940 -0.703 52 2HG GLN 843 2HG GLN 843 -16.047 -1.560 -1.262 53 1HE2 GLN 843 1HE2 GLN 843 -18.196 -0.725 -0.035 54 2HE2 GLN 843 2HE2 GLN 843 -19.479 -0.254 -1.128 55 H THR 844 H THR 844 -16.363 -7.146 -2.622 56 HA THR 844 HA THR 844 -15.196 -8.649 -3.897 57 HB THR 844 HB THR 844 -15.618 -6.414 -5.594 58 HG1 THR 844 1HG THR 844 -15.710 -8.013 -7.062 59 1HG2 THR 844 1HG2 THR 844 -13.403 -5.717 -5.752 60 2HG2 THR 844 2HG2 THR 844 -12.759 -7.345 -5.435 61 3HG2 THR 844 3HG2 THR 844 -13.444 -6.954 -7.031 62 H LYS 845 H LYS 845 -13.160 -5.698 -4.274 63 HA LYS 845 HA LYS 845 -11.202 -6.743 -2.374 64 1HB LYS 845 1HB LYS 845 -11.001 -7.442 -5.123 65 2HB LYS 845 2HB LYS 845 -9.767 -6.196 -4.817 66 1HG LYS 845 1HG LYS 845 -8.668 -8.207 -4.244 67 2HG LYS 845 2HG LYS 845 -9.223 -7.578 -2.673 68 1HD LYS 845 1HD LYS 845 -11.284 -9.196 -3.973 69 2HD LYS 845 2HD LYS 845 -9.776 -10.114 -3.751 70 1HE LYS 845 1HE LYS 845 -9.835 -8.997 -1.343 71 2HE LYS 845 2HE LYS 845 -11.571 -8.850 -1.691 72 1HZ LYS 845 1HZ LYS 845 -10.212 -11.390 -2.096 73 2HZ LYS 845 2HZ LYS 845 -10.681 -10.942 -0.579 74 3HZ LYS 845 3HZ LYS 845 -11.803 -11.093 -1.779 75 H VAL 846 H VAL 846 -12.893 -4.297 -3.845 76 HA VAL 846 HA VAL 846 -12.586 -2.020 -4.076 77 HB VAL 846 HB VAL 846 -11.358 -1.156 -1.861 78 1HG1 VAL 846 1HG1 VAL 846 -13.491 -1.033 -0.898 79 2HG1 VAL 846 2HG1 VAL 846 -13.878 -1.265 -2.619 80 3HG1 VAL 846 3HG1 VAL 846 -13.963 -2.642 -1.495 81 1HG2 VAL 846 1HG2 VAL 846 -10.978 -3.924 -1.667 82 2HG2 VAL 846 2HG2 VAL 846 -10.821 -2.746 -0.342 83 3HG2 VAL 846 3HG2 VAL 846 -12.361 -3.603 -0.593 84 H LEU 847 H LEU 847 -11.300 -0.992 -5.479 85 HA LEU 847 HA LEU 847 -8.419 -0.826 -4.929 86 1HB LEU 847 1HB LEU 847 -9.345 -1.769 -7.654 87 2HB LEU 847 2HB LEU 847 -7.702 -1.780 -6.969 88 HG LEU 847 HG LEU 847 -8.858 -4.044 -7.011 89 1HD1 LEU 847 1HD1 LEU 847 -8.535 -3.960 -4.206 90 2HD1 LEU 847 2HD1 LEU 847 -7.298 -4.379 -5.415 91 3HD1 LEU 847 3HD1 LEU 847 -7.451 -2.700 -4.844 92 1HD2 LEU 847 1HD2 LEU 847 -10.384 -3.546 -4.581 93 2HD2 LEU 847 2HD2 LEU 847 -10.971 -2.524 -5.914 94 3HD2 LEU 847 3HD2 LEU 847 -10.911 -4.292 -6.108 95 H LEU 848 H LEU 848 -9.367 1.369 -4.494 96 HA LEU 848 HA LEU 848 -10.239 2.863 -6.859 97 1HB LEU 848 1HB LEU 848 -10.194 3.220 -3.925 98 2HB LEU 848 2HB LEU 848 -9.848 4.701 -4.849 99 HG LEU 848 HG LEU 848 -12.115 2.966 -5.778 100 1HD1 LEU 848 1HD1 LEU 848 -13.278 4.815 -4.017 101 2HD1 LEU 848 2HD1 LEU 848 -13.159 3.055 -3.775 102 3HD1 LEU 848 3HD1 LEU 848 -11.913 4.133 -3.100 103 1HD2 LEU 848 1HD2 LEU 848 -12.931 5.579 -5.790 104 2HD2 LEU 848 2HD2 LEU 848 -11.168 5.781 -5.940 105 3HD2 LEU 848 3HD2 LEU 848 -12.058 4.805 -7.134 106 H ASP 849 H ASP 849 -9.147 5.175 -7.011 107 HA ASP 849 HA ASP 849 -6.380 4.657 -7.726 108 1HB ASP 849 1HB ASP 849 -6.441 6.890 -8.642 109 2HB ASP 849 2HB ASP 849 -7.969 6.081 -9.051 110 H ILE 850 H ILE 850 -6.591 4.168 -5.029 111 HA ILE 850 HA ILE 850 -6.011 6.487 -3.427 112 HB ILE 850 HB ILE 850 -4.970 3.940 -2.422 113 1HG1 ILE 850 1HG1 ILE 850 -6.802 3.302 -4.178 114 2HG1 ILE 850 2HG1 ILE 850 -6.913 2.610 -2.541 115 1HG2 ILE 850 1HG2 ILE 850 -6.058 6.254 -1.419 116 2HG2 ILE 850 2HG2 ILE 850 -7.448 5.146 -1.321 117 3HG2 ILE 850 3HG2 ILE 850 -5.921 4.732 -0.506 118 1HD1 ILE 850 1HD1 ILE 850 -9.093 3.394 -2.869 119 2HD1 ILE 850 2HD1 ILE 850 -8.338 4.774 -2.036 120 3HD1 ILE 850 3HD1 ILE 850 -8.552 4.809 -3.802 121 H PHE 851 H PHE 851 -3.773 3.756 -3.374 122 HA PHE 851 HA PHE 851 -1.481 5.392 -3.208 123 1HB PHE 851 1HB PHE 851 -1.441 2.602 -4.348 124 2HB PHE 851 2HB PHE 851 -0.262 3.392 -3.288 125 HD1 PHE 851 1HD PHE 851 -1.636 4.343 -1.016 126 HD2 PHE 851 2HD PHE 851 -2.474 0.814 -3.317 127 HE1 PHE 851 1HE PHE 851 -2.719 3.310 0.962 128 HE2 PHE 851 2HE PHE 851 -3.557 -0.219 -1.339 129 HZ PHE 851 HZ PHE 851 -3.679 1.030 0.801 130 H THR 852 H THR 852 -3.334 5.971 -5.531 131 HA THR 852 HA THR 852 -2.471 5.254 -8.010 132 HB THR 852 HB THR 852 -4.043 7.249 -7.009 133 HG1 THR 852 1HG THR 852 -4.491 6.538 -8.981 134 1HG2 THR 852 1HG2 THR 852 -2.088 8.710 -6.602 135 2HG2 THR 852 2HG2 THR 852 -1.621 8.565 -8.313 136 3HG2 THR 852 3HG2 THR 852 -3.136 9.388 -7.871 137 H GLY 853 H GLY 853 -0.419 4.832 -8.622 138 1HA GLY 853 1HA GLY 853 1.738 5.311 -9.281 139 2HA GLY 853 2HA GLY 853 1.457 7.015 -8.857 140 H VAL 854 H VAL 854 0.506 5.328 -6.185 141 HA VAL 854 HA VAL 854 2.886 6.061 -4.711 142 HB VAL 854 HB VAL 854 0.268 4.692 -4.039 143 1HG1 VAL 854 1HG1 VAL 854 2.446 5.408 -2.045 144 2HG1 VAL 854 2HG1 VAL 854 0.957 4.476 -1.760 145 3HG1 VAL 854 3HG1 VAL 854 2.278 3.771 -2.724 146 1HG2 VAL 854 1HG2 VAL 854 0.290 6.799 -2.481 147 2HG2 VAL 854 2HG2 VAL 854 1.577 7.379 -3.566 148 3HG2 VAL 854 3HG2 VAL 854 -0.040 7.018 -4.216 149 H ARG 855 H ARG 855 4.705 4.890 -5.020 150 HA ARG 855 HA ARG 855 4.464 1.955 -5.324 151 1HB ARG 855 1HB ARG 855 6.554 2.025 -6.344 152 2HB ARG 855 2HB ARG 855 5.888 3.609 -6.808 153 1HG ARG 855 1HG ARG 855 6.992 4.483 -4.622 154 2HG ARG 855 2HG ARG 855 7.923 2.966 -4.655 155 1HD ARG 855 1HD ARG 855 9.011 4.980 -5.802 156 2HD ARG 855 2HD ARG 855 8.897 3.494 -6.769 157 HE ARG 855 HE ARG 855 7.080 4.478 -8.018 158 1HH1 ARG 855 2HH2 ARG 855 8.728 6.630 -5.747 159 2HH1 ARG 855 1HH2 ARG 855 8.169 8.097 -6.519 160 1HH2 ARG 855 2HH1 ARG 855 6.341 6.416 -9.037 161 2HH2 ARG 855 1HH1 ARG 855 6.808 7.975 -8.395 162 H LEU 856 H LEU 856 3.856 1.580 -3.088 163 HA LEU 856 HA LEU 856 5.998 2.147 -1.117 164 1HB LEU 856 1HB LEU 856 4.353 2.244 0.444 165 2HB LEU 856 2HB LEU 856 3.274 2.446 -0.957 166 HG LEU 856 HG LEU 856 2.794 0.076 -1.019 167 1HD1 LEU 856 1HD1 LEU 856 3.964 -1.095 1.197 168 2HD1 LEU 856 2HD1 LEU 856 4.554 -1.255 -0.475 169 3HD1 LEU 856 3HD1 LEU 856 5.261 -0.030 0.604 170 1HD2 LEU 856 1HD2 LEU 856 2.780 0.634 1.946 171 2HD2 LEU 856 2HD2 LEU 856 1.824 1.668 0.858 172 3HD2 LEU 856 3HD2 LEU 856 1.510 -0.082 0.926 173 H TYR 857 H TYR 857 7.157 0.535 -0.137 174 HA TYR 857 HA TYR 857 7.109 -2.069 -1.433 175 1HB TYR 857 1HB TYR 857 9.267 -1.708 -0.913 176 2HB TYR 857 2HB TYR 857 8.863 -0.511 0.329 177 HD1 TYR 857 1HD TYR 857 9.837 -1.035 2.356 178 HD2 TYR 857 2HD TYR 857 8.218 -4.199 -0.056 179 HE1 TYR 857 1HE TYR 857 10.407 -2.677 4.126 180 HE2 TYR 857 2HE TYR 857 8.788 -5.840 1.713 181 HH TYR 857 HH TYR 857 10.290 -4.855 4.804 182 H LEU 858 H LEU 858 5.333 -3.283 -0.934 183 HA LEU 858 HA LEU 858 4.283 -3.345 1.784 184 1HB LEU 858 1HB LEU 858 2.836 -3.500 -0.238 185 2HB LEU 858 2HB LEU 858 3.613 -5.049 -0.647 186 HG LEU 858 HG LEU 858 2.469 -6.186 0.962 187 1HD1 LEU 858 1HD1 LEU 858 1.928 -5.091 3.216 188 2HD1 LEU 858 2HD1 LEU 858 3.656 -5.277 2.835 189 3HD1 LEU 858 3HD1 LEU 858 2.871 -3.690 2.652 190 1HD2 LEU 858 1HD2 LEU 858 0.658 -3.884 1.518 191 2HD2 LEU 858 2HD2 LEU 858 0.876 -4.304 -0.198 192 3HD2 LEU 858 3HD2 LEU 858 0.275 -5.526 0.947 193 HA PRO 859 HA PRO 859 7.247 -6.529 2.868 194 1HB PRO 859 1HB PRO 859 6.742 -6.507 5.545 195 2HB PRO 859 2HB PRO 859 7.611 -5.163 4.736 196 1HG PRO 859 1HG PRO 859 4.653 -5.313 5.385 197 2HG PRO 859 2HG PRO 859 5.793 -3.990 5.798 198 1HD PRO 859 1HD PRO 859 4.217 -3.867 3.577 199 2HD PRO 859 2HD PRO 859 5.911 -3.291 3.521 200 HA PRO 860 HA PRO 860 4.462 -9.960 2.833 201 1HB PRO 860 1HB PRO 860 6.186 -11.964 3.492 202 2HB PRO 860 2HB PRO 860 6.331 -11.062 1.948 203 1HG PRO 860 1HG PRO 860 7.827 -10.535 4.532 204 2HG PRO 860 2HG PRO 860 8.526 -10.752 2.895 205 1HD PRO 860 1HD PRO 860 8.033 -8.272 3.912 206 2HD PRO 860 2HD PRO 860 7.703 -8.628 2.190 207 H SER 861 H SER 861 6.339 -8.961 5.632 208 HA SER 861 HA SER 861 5.025 -10.786 7.476 209 1HB SER 861 1HB SER 861 7.260 -8.981 7.481 210 2HB SER 861 2HB SER 861 6.172 -8.541 8.820 211 HG SER 861 HG SER 861 7.078 -10.175 9.770 212 H THR 862 H THR 862 4.170 -7.890 5.873 213 HA THR 862 HA THR 862 2.599 -6.676 7.953 214 HB THR 862 HB THR 862 3.111 -6.313 5.063 215 HG1 THR 862 1HG THR 862 2.739 -4.089 5.944 216 1HG2 THR 862 1HG2 THR 862 1.060 -5.572 4.383 217 2HG2 THR 862 2HG2 THR 862 0.461 -6.647 5.668 218 3HG2 THR 862 3HG2 THR 862 0.660 -4.907 5.985 219 HA PRO 863 HA PRO 863 -0.898 -9.351 7.890 220 1HB PRO 863 1HB PRO 863 -2.726 -7.738 9.106 221 2HB PRO 863 2HB PRO 863 -1.289 -8.364 9.978 222 1HG PRO 863 1HG PRO 863 -1.584 -5.671 8.616 223 2HG PRO 863 2HG PRO 863 -1.049 -5.987 10.299 224 1HD PRO 863 1HD PRO 863 0.747 -5.621 8.281 225 2HD PRO 863 2HD PRO 863 1.038 -6.858 9.542 226 H ASP 864 H ASP 864 -2.776 -9.706 6.660 227 HA ASP 864 HA ASP 864 -4.273 -9.401 4.953 228 1HB ASP 864 1HB ASP 864 -3.958 -6.747 6.140 229 2HB ASP 864 2HB ASP 864 -4.327 -6.661 4.404 230 H PHE 865 H PHE 865 -1.120 -9.219 4.753 231 HA PHE 865 HA PHE 865 -0.317 -7.759 2.551 232 1HB PHE 865 1HB PHE 865 1.024 -9.316 4.063 233 2HB PHE 865 2HB PHE 865 0.465 -10.646 3.034 234 HD1 PHE 865 1HD PHE 865 2.052 -7.252 2.692 235 HD2 PHE 865 2HD PHE 865 1.832 -11.306 1.289 236 HE1 PHE 865 1HE PHE 865 3.905 -6.804 1.105 237 HE2 PHE 865 2HE PHE 865 3.684 -10.858 -0.298 238 HZ PHE 865 HZ PHE 865 4.721 -8.606 -0.390 239 H SER 866 H SER 866 -1.938 -10.970 2.575 240 HA SER 866 HA SER 866 -1.942 -11.864 0.084 241 1HB SER 866 1HB SER 866 -3.473 -12.753 1.743 242 2HB SER 866 2HB SER 866 -4.446 -11.262 1.704 243 HG SER 866 HG SER 866 -5.080 -11.735 -0.350 244 H ARG 867 H ARG 867 -4.672 -9.632 0.705 245 HA ARG 867 HA ARG 867 -4.749 -8.814 -2.047 246 1HB ARG 867 1HB ARG 867 -6.034 -7.421 0.325 247 2HB ARG 867 2HB ARG 867 -6.585 -7.442 -1.368 248 1HG ARG 867 1HG ARG 867 -7.716 -9.366 -1.034 249 2HG ARG 867 2HG ARG 867 -6.266 -10.155 -0.368 250 1HD ARG 867 1HD ARG 867 -6.719 -9.320 1.836 251 2HD ARG 867 2HD ARG 867 -7.977 -8.220 1.233 252 HE ARG 867 HE ARG 867 -8.852 -10.738 0.491 253 1HH1 ARG 867 2HH2 ARG 867 -7.885 -9.165 3.506 254 2HH1 ARG 867 1HH2 ARG 867 -8.949 -10.126 4.508 255 1HH2 ARG 867 2HH1 ARG 867 -10.257 -12.007 1.815 256 2HH2 ARG 867 1HH1 ARG 867 -10.301 -11.747 3.544 257 H LEU 868 H LEU 868 -3.475 -7.389 0.975 258 HA LEU 868 HA LEU 868 -2.944 -4.817 0.403 259 1HB LEU 868 1HB LEU 868 -1.410 -6.974 1.757 260 2HB LEU 868 2HB LEU 868 -0.479 -5.522 1.319 261 HG LEU 868 HG LEU 868 -2.616 -5.867 3.341 262 1HD1 LEU 868 1HD1 LEU 868 -0.840 -4.989 4.437 263 2HD1 LEU 868 2HD1 LEU 868 -0.061 -4.489 2.916 264 3HD1 LEU 868 3HD1 LEU 868 -1.274 -3.436 3.683 265 1HD2 LEU 868 1HD2 LEU 868 -3.874 -4.617 1.623 266 2HD2 LEU 868 2HD2 LEU 868 -3.504 -3.573 3.016 267 3HD2 LEU 868 3HD2 LEU 868 -2.556 -3.425 1.517 268 H ARG 869 H ARG 869 -0.923 -7.539 -0.832 269 HA ARG 869 HA ARG 869 0.766 -5.906 -2.430 270 1HB ARG 869 1HB ARG 869 1.108 -8.329 -1.689 271 2HB ARG 869 2HB ARG 869 -0.010 -8.785 -2.997 272 1HG ARG 869 1HG ARG 869 1.830 -8.803 -4.327 273 2HG ARG 869 2HG ARG 869 1.723 -7.027 -4.264 274 1HD ARG 869 1HD ARG 869 3.922 -7.396 -3.566 275 2HD ARG 869 2HD ARG 869 3.058 -7.298 -2.016 276 HE ARG 869 HE ARG 869 3.433 -9.572 -1.663 277 1HH1 ARG 869 2HH2 ARG 869 4.316 -8.620 -4.952 278 2HH1 ARG 869 1HH2 ARG 869 5.132 -10.125 -5.315 279 1HH2 ARG 869 2HH1 ARG 869 4.510 -11.560 -2.143 280 2HH2 ARG 869 1HH1 ARG 869 5.242 -11.801 -3.714 281 H ARG 870 H ARG 870 -1.380 -8.347 -3.908 282 HA ARG 870 HA ARG 870 -1.649 -7.223 -6.380 283 1HB ARG 870 1HB ARG 870 -3.201 -9.062 -4.706 284 2HB ARG 870 2HB ARG 870 -4.221 -8.165 -5.856 285 1HG ARG 870 1HG ARG 870 -3.431 -10.177 -6.962 286 2HG ARG 870 2HG ARG 870 -2.583 -8.784 -7.677 287 1HD ARG 870 1HD ARG 870 -0.679 -9.923 -7.230 288 2HD ARG 870 2HD ARG 870 -0.954 -9.457 -5.538 289 HE ARG 870 HE ARG 870 -1.503 -11.648 -5.043 290 1HH1 ARG 870 2HH2 ARG 870 -1.609 -11.117 -8.537 291 2HH1 ARG 870 1HH2 ARG 870 -1.838 -12.808 -8.925 292 1HH2 ARG 870 2HH1 ARG 870 -1.806 -13.881 -5.555 293 2HH2 ARG 870 1HH1 ARG 870 -1.950 -14.384 -7.225 294 H TYR 871 H TYR 871 -3.944 -6.620 -3.653 295 HA TYR 871 HA TYR 871 -5.612 -4.779 -4.777 296 1HB TYR 871 1HB TYR 871 -5.569 -5.637 -2.397 297 2HB TYR 871 2HB TYR 871 -4.326 -4.422 -2.054 298 HD1 TYR 871 1HD TYR 871 -7.481 -4.247 -4.085 299 HD2 TYR 871 2HD TYR 871 -5.273 -2.790 -0.700 300 HE1 TYR 871 1HE TYR 871 -9.248 -2.560 -3.658 301 HE2 TYR 871 2HE TYR 871 -7.040 -1.103 -0.274 302 HH TYR 871 HH TYR 871 -9.791 -1.019 -0.958 303 H PHE 872 H PHE 872 -2.633 -3.784 -2.989 304 HA PHE 872 HA PHE 872 -2.622 -1.114 -3.738 305 1HB PHE 872 1HB PHE 872 -1.086 -2.398 -2.141 306 2HB PHE 872 2HB PHE 872 -0.130 -2.824 -3.571 307 HD1 PHE 872 1HD PHE 872 0.585 -0.788 -5.095 308 HD2 PHE 872 2HD PHE 872 -0.561 -0.465 -0.969 309 HE1 PHE 872 1HE PHE 872 1.798 1.369 -4.928 310 HE2 PHE 872 2HE PHE 872 0.651 1.693 -0.801 311 HZ PHE 872 HZ PHE 872 1.830 2.609 -2.781 312 H VAL 873 H VAL 873 0.034 -2.952 -5.147 313 HA VAL 873 HA VAL 873 0.489 -1.607 -7.403 314 HB VAL 873 HB VAL 873 1.836 -3.460 -7.276 315 1HG1 VAL 873 1HG1 VAL 873 -0.704 -4.914 -6.476 316 2HG1 VAL 873 2HG1 VAL 873 0.787 -5.798 -6.879 317 3HG1 VAL 873 3HG1 VAL 873 0.773 -4.651 -5.518 318 1HG2 VAL 873 1HG2 VAL 873 1.570 -4.650 -9.243 319 2HG2 VAL 873 2HG2 VAL 873 -0.167 -4.925 -8.966 320 3HG2 VAL 873 3HG2 VAL 873 0.403 -3.339 -9.539 321 H ALA 874 H ALA 874 -2.333 -3.710 -6.873 322 HA ALA 874 HA ALA 874 -3.310 -3.774 -9.520 323 1HB ALA 874 1HB ALA 874 -4.303 -5.234 -7.944 324 2HB ALA 874 2HB ALA 874 -4.617 -3.915 -6.791 325 3HB ALA 874 3HB ALA 874 -5.567 -4.030 -8.292 326 H PHE 875 H PHE 875 -4.069 -1.497 -6.825 327 HA PHE 875 HA PHE 875 -5.901 0.149 -8.007 328 1HB PHE 875 1HB PHE 875 -3.460 1.065 -6.451 329 2HB PHE 875 2HB PHE 875 -4.976 1.961 -6.648 330 HD1 PHE 875 1HD PHE 875 -5.870 -1.402 -6.411 331 HD2 PHE 875 2HD PHE 875 -4.441 1.849 -3.995 332 HE1 PHE 875 1HE PHE 875 -6.788 -2.503 -4.387 333 HE2 PHE 875 2HE PHE 875 -5.359 0.748 -1.971 334 HZ PHE 875 HZ PHE 875 -6.532 -1.428 -2.167 335 H ASP 876 H ASP 876 -2.359 0.158 -8.570 336 HA ASP 876 HA ASP 876 -2.050 0.621 -11.121 337 1HB ASP 876 1HB ASP 876 -3.553 2.957 -10.024 338 2HB ASP 876 2HB ASP 876 -2.270 3.302 -11.203 339 H GLY 877 H GLY 877 -1.037 0.841 -8.065 340 1HA GLY 877 1HA GLY 877 1.203 2.707 -8.496 341 2HA GLY 877 2HA GLY 877 0.799 1.844 -6.994 342 H ASP 878 H ASP 878 2.797 0.907 -6.594 343 HA ASP 878 HA ASP 878 3.422 -1.443 -8.191 344 1HB ASP 878 1HB ASP 878 4.929 1.092 -8.477 345 2HB ASP 878 2HB ASP 878 5.929 -0.344 -8.168 346 H LEU 879 H LEU 879 4.990 -2.818 -7.125 347 HA LEU 879 HA LEU 879 5.555 -2.011 -4.315 348 1HB LEU 879 1HB LEU 879 4.712 -4.796 -5.184 349 2HB LEU 879 2HB LEU 879 4.881 -4.168 -3.527 350 HG LEU 879 HG LEU 879 2.779 -3.476 -5.604 351 1HD1 LEU 879 1HD1 LEU 879 2.503 -5.404 -3.965 352 2HD1 LEU 879 2HD1 LEU 879 2.545 -4.198 -2.657 353 3HD1 LEU 879 3HD1 LEU 879 1.244 -4.149 -3.871 354 1HD2 LEU 879 1HD2 LEU 879 2.880 -1.334 -4.876 355 2HD2 LEU 879 2HD2 LEU 879 2.251 -1.946 -3.328 356 3HD2 LEU 879 3HD2 LEU 879 4.005 -1.756 -3.563 357 H VAL 880 H VAL 880 7.663 -2.153 -3.838 358 HA VAL 880 HA VAL 880 9.365 -3.815 -5.627 359 HB VAL 880 HB VAL 880 10.764 -1.966 -3.853 360 1HG1 VAL 880 1HG1 VAL 880 12.025 -1.619 -5.761 361 2HG1 VAL 880 2HG1 VAL 880 11.281 -3.178 -6.191 362 3HG1 VAL 880 3HG1 VAL 880 10.606 -1.663 -6.835 363 1HG2 VAL 880 1HG2 VAL 880 9.860 0.003 -5.413 364 2HG2 VAL 880 2HG2 VAL 880 8.393 -1.005 -5.436 365 3HG2 VAL 880 3HG2 VAL 880 9.041 -0.411 -3.888 366 H GLN 881 H GLN 881 10.690 -5.385 -4.780 367 HA GLN 881 HA GLN 881 9.979 -6.491 -2.244 368 1HB GLN 881 1HB GLN 881 12.477 -7.027 -3.893 369 2HB GLN 881 2HB GLN 881 11.704 -8.114 -2.715 370 1HG GLN 881 1HG GLN 881 10.152 -8.809 -4.212 371 2HG GLN 881 2HG GLN 881 9.856 -7.158 -4.797 372 1HE2 GLN 881 1HE2 GLN 881 10.168 -7.060 -6.948 373 2HE2 GLN 881 2HE2 GLN 881 11.488 -7.810 -7.819 374 H GLU 882 H GLU 882 10.793 -6.180 -0.236 375 HA GLU 882 HA GLU 882 11.982 -4.036 0.749 376 1HB GLU 882 1HB GLU 882 11.444 -6.108 2.037 377 2HB GLU 882 2HB GLU 882 12.965 -6.828 1.455 378 1HG GLU 882 1HG GLU 882 13.963 -4.517 2.377 379 2HG GLU 882 2HG GLU 882 12.523 -4.599 3.415 380 H PHE 883 H PHE 883 14.183 -6.771 -0.075 381 HA PHE 883 HA PHE 883 16.485 -5.094 -0.192 382 1HB PHE 883 1HB PHE 883 17.615 -7.043 -0.996 383 2HB PHE 883 2HB PHE 883 16.430 -7.572 0.210 384 HD1 PHE 883 1HD PHE 883 17.223 -7.455 -3.407 385 HD2 PHE 883 2HD PHE 883 14.573 -8.978 -0.388 386 HE1 PHE 883 1HE PHE 883 16.253 -9.034 -5.055 387 HE2 PHE 883 2HE PHE 883 13.604 -10.557 -2.036 388 HZ PHE 883 HZ PHE 883 14.444 -10.586 -4.370 389 H ASP 884 H ASP 884 13.921 -4.669 -2.018 390 HA ASP 884 HA ASP 884 15.534 -3.862 -4.364 391 1HB ASP 884 1HB ASP 884 12.988 -5.521 -4.463 392 2HB ASP 884 2HB ASP 884 13.745 -4.741 -5.869 393 H MET 885 H MET 885 15.315 -1.709 -3.625 394 HA MET 885 HA MET 885 12.651 -0.570 -4.191 395 1HB MET 885 1HB MET 885 13.291 0.917 -2.026 396 2HB MET 885 2HB MET 885 12.281 -0.546 -1.932 397 1HG MET 885 1HG MET 885 14.482 -1.840 -1.640 398 2HG MET 885 2HG MET 885 15.243 -0.265 -1.360 399 1HE MET 885 1HE MET 885 12.429 -2.719 1.177 400 2HE MET 885 2HE MET 885 11.500 -1.465 0.320 401 3HE MET 885 3HE MET 885 12.510 -2.608 -0.598 402 H THR 886 H THR 886 16.135 -0.189 -3.563 403 HA THR 886 HA THR 886 17.039 2.169 -3.815 404 HB THR 886 HB THR 886 18.593 1.596 -5.501 405 HG1 THR 886 1HG THR 886 16.768 -0.312 -6.520 406 1HG2 THR 886 1HG2 THR 886 19.195 -0.667 -4.975 407 2HG2 THR 886 2HG2 THR 886 18.385 -0.021 -3.528 408 3HG2 THR 886 3HG2 THR 886 17.505 -1.107 -4.631 409 H SER 887 H SER 887 15.096 0.911 -6.580 410 HA SER 887 HA SER 887 14.771 3.688 -7.543 411 1HB SER 887 1HB SER 887 14.679 0.971 -8.709 412 2HB SER 887 2HB SER 887 13.412 2.073 -9.300 413 HG SER 887 HG SER 887 15.401 3.588 -9.359 414 H ALA 888 H ALA 888 13.213 1.354 -5.585 415 HA ALA 888 HA ALA 888 10.518 1.568 -6.140 416 1HB ALA 888 1HB ALA 888 11.109 0.147 -4.371 417 2HB ALA 888 2HB ALA 888 12.085 1.398 -3.563 418 3HB ALA 888 3HB ALA 888 10.308 1.501 -3.537 419 H THR 889 H THR 889 8.978 2.833 -4.431 420 HA THR 889 HA THR 889 9.858 5.673 -4.387 421 HB THR 889 HB THR 889 8.131 4.704 -6.283 422 HG1 THR 889 1HG THR 889 8.075 6.762 -6.717 423 1HG2 THR 889 1HG2 THR 889 6.552 4.175 -4.317 424 2HG2 THR 889 2HG2 THR 889 6.374 5.937 -4.133 425 3HG2 THR 889 3HG2 THR 889 5.873 5.144 -5.647 426 H HIS 890 H HIS 890 7.573 3.154 -3.257 427 HA HIS 890 HA HIS 890 7.381 4.668 -0.696 428 1HB HIS 890 1HB HIS 890 5.269 3.368 -2.394 429 2HB HIS 890 2HB HIS 890 5.071 3.395 -0.632 430 HD1 HIS 890 1HD HIS 890 5.202 5.791 -3.631 431 HD2 HIS 890 2HD HIS 890 4.512 5.742 0.521 432 HE1 HIS 890 1HE HIS 890 4.243 8.081 -3.017 433 H VAL 891 H VAL 891 6.954 3.290 1.198 434 HA VAL 891 HA VAL 891 7.533 0.426 0.856 435 HB VAL 891 HB VAL 891 9.346 0.642 2.650 436 1HG1 VAL 891 1HG1 VAL 891 10.762 0.386 0.910 437 2HG1 VAL 891 2HG1 VAL 891 9.414 0.830 -0.164 438 3HG1 VAL 891 3HG1 VAL 891 10.542 2.080 0.413 439 1HG2 VAL 891 1HG2 VAL 891 10.480 2.860 2.722 440 2HG2 VAL 891 2HG2 VAL 891 9.175 3.541 1.721 441 3HG2 VAL 891 3HG2 VAL 891 8.819 2.939 3.358 442 H LEU 892 H LEU 892 6.600 -0.807 2.448 443 HA LEU 892 HA LEU 892 4.864 0.647 4.327 444 1HB LEU 892 1HB LEU 892 4.543 -1.627 2.787 445 2HB LEU 892 2HB LEU 892 4.877 -2.299 4.401 446 HG LEU 892 HG LEU 892 3.142 -0.178 4.926 447 1HD1 LEU 892 1HD1 LEU 892 1.763 0.171 3.175 448 2HD1 LEU 892 2HD1 LEU 892 2.885 -0.785 2.177 449 3HD1 LEU 892 3HD1 LEU 892 1.503 -1.579 2.970 450 1HD2 LEU 892 1HD2 LEU 892 2.802 -2.137 6.136 451 2HD2 LEU 892 2HD2 LEU 892 1.440 -2.220 4.992 452 3HD2 LEU 892 3HD2 LEU 892 2.915 -3.172 4.692 453 H GLY 893 H GLY 893 5.458 1.047 6.371 454 1HA GLY 893 1HA GLY 893 6.674 0.976 8.321 455 2HA GLY 893 2HA GLY 893 6.548 -0.790 8.159 456 H SER 894 H SER 894 8.680 1.822 8.319 457 HA SER 894 HA SER 894 10.994 1.759 8.346 458 1HB SER 894 1HB SER 894 10.597 -0.998 7.122 459 2HB SER 894 2HB SER 894 12.182 -0.296 7.528 460 HG SER 894 HG SER 894 11.565 -1.443 9.290 461 H ARG 895 H ARG 895 12.788 1.968 6.721 462 HA ARG 895 HA ARG 895 11.815 2.219 3.936 463 1HB ARG 895 1HB ARG 895 12.937 4.491 3.846 464 2HB ARG 895 2HB ARG 895 11.444 4.428 4.812 465 1HG ARG 895 1HG ARG 895 12.670 4.368 6.873 466 2HG ARG 895 2HG ARG 895 14.207 4.060 6.028 467 1HD ARG 895 1HD ARG 895 14.541 6.260 5.653 468 2HD ARG 895 2HD ARG 895 12.889 6.475 5.037 469 HE ARG 895 HE ARG 895 12.193 7.176 7.148 470 1HH1 ARG 895 2HH2 ARG 895 15.467 5.845 7.255 471 2HH1 ARG 895 1HH2 ARG 895 15.788 6.403 8.882 472 1HH2 ARG 895 2HH1 ARG 895 12.617 7.914 9.297 473 2HH2 ARG 895 1HH1 ARG 895 14.163 7.583 10.045 474 H ASP 896 H ASP 896 14.426 2.052 6.329 475 HA ASP 896 HA ASP 896 16.786 2.225 5.348 476 1HB ASP 896 1HB ASP 896 16.708 0.753 7.145 477 2HB ASP 896 2HB ASP 896 15.503 -0.297 6.369 478 H LYS 897 H LYS 897 15.313 -0.857 4.244 479 HA LYS 897 HA LYS 897 16.809 -1.468 2.117 480 1HB LYS 897 1HB LYS 897 14.189 -1.687 1.076 481 2HB LYS 897 2HB LYS 897 15.116 -2.933 1.945 482 1HG LYS 897 1HG LYS 897 13.165 -2.732 3.248 483 2HG LYS 897 2HG LYS 897 14.318 -1.677 4.099 484 1HD LYS 897 1HD LYS 897 13.392 0.224 2.604 485 2HD LYS 897 2HD LYS 897 12.053 -0.892 2.240 486 1HE LYS 897 1HE LYS 897 12.124 -1.146 4.933 487 2HE LYS 897 2HE LYS 897 12.740 0.514 4.785 488 1HZ LYS 897 1HZ LYS 897 10.317 -0.364 3.407 489 2HZ LYS 897 2HZ LYS 897 10.280 0.205 4.955 490 3HZ LYS 897 3HZ LYS 897 10.816 1.174 3.732 491 H ASN 898 H ASN 898 14.573 1.285 2.266 492 HA ASN 898 HA ASN 898 15.936 2.515 0.009 493 1HB ASN 898 1HB ASN 898 13.652 0.920 -0.503 494 2HB ASN 898 2HB ASN 898 13.109 2.609 -0.594 495 1HD2 ASN 898 1HD2 ASN 898 12.942 2.964 -2.769 496 2HD2 ASN 898 2HD2 ASN 898 14.258 2.765 -3.906 497 HA PRO 899 HA PRO 899 14.560 5.535 3.102 498 1HB PRO 899 1HB PRO 899 16.638 7.262 2.749 499 2HB PRO 899 2HB PRO 899 16.835 5.714 3.634 500 1HG PRO 899 1HG PRO 899 17.445 6.251 0.713 501 2HG PRO 899 2HG PRO 899 18.534 5.516 1.934 502 1HD PRO 899 1HD PRO 899 17.047 3.978 0.245 503 2HD PRO 899 2HD PRO 899 17.254 3.503 1.958 504 H ALA 900 H ALA 900 14.996 5.508 -0.314 505 HA ALA 900 HA ALA 900 14.085 8.275 -0.689 506 1HB ALA 900 1HB ALA 900 14.225 7.621 -3.120 507 2HB ALA 900 2HB ALA 900 15.755 7.443 -2.227 508 3HB ALA 900 3HB ALA 900 14.769 6.008 -2.598 509 H ALA 901 H ALA 901 12.638 5.433 0.204 510 HA ALA 901 HA ALA 901 10.231 5.821 -1.473 511 1HB ALA 901 1HB ALA 901 9.506 3.685 -0.478 512 2HB ALA 901 2HB ALA 901 11.127 3.535 -1.199 513 3HB ALA 901 3HB ALA 901 10.948 3.677 0.566 514 H GLN 902 H GLN 902 8.380 4.780 0.460 515 HA GLN 902 HA GLN 902 8.369 6.978 2.473 516 1HB GLN 902 1HB GLN 902 6.320 6.138 0.459 517 2HB GLN 902 2HB GLN 902 5.740 6.616 2.073 518 1HG GLN 902 1HG GLN 902 7.511 8.254 0.213 519 2HG GLN 902 2HG GLN 902 5.812 8.580 0.620 520 1HE2 GLN 902 1HE2 GLN 902 5.914 7.958 3.409 521 2HE2 GLN 902 2HE2 GLN 902 6.871 9.189 4.204 522 H GLN 903 H GLN 903 7.949 6.363 4.535 523 HA GLN 903 HA GLN 903 7.589 3.480 5.010 524 1HB GLN 903 1HB GLN 903 8.089 5.798 6.918 525 2HB GLN 903 2HB GLN 903 8.119 4.070 7.341 526 1HG GLN 903 1HG GLN 903 10.314 4.106 6.813 527 2HG GLN 903 2HG GLN 903 9.801 4.244 5.117 528 1HE2 GLN 903 1HE2 GLN 903 10.248 6.091 3.992 529 2HE2 GLN 903 2HE2 GLN 903 10.946 7.534 4.695 530 H VAL 904 H VAL 904 5.329 3.829 3.979 531 HA VAL 904 HA VAL 904 3.375 5.098 5.746 532 HB VAL 904 HB VAL 904 2.044 5.049 3.918 533 1HG1 VAL 904 1HG1 VAL 904 3.226 5.151 1.897 534 2HG1 VAL 904 2HG1 VAL 904 4.521 5.405 3.091 535 3HG1 VAL 904 3HG1 VAL 904 4.302 3.805 2.342 536 1HG2 VAL 904 1HG2 VAL 904 1.318 2.801 4.128 537 2HG2 VAL 904 2HG2 VAL 904 1.936 2.904 2.462 538 3HG2 VAL 904 3HG2 VAL 904 2.929 2.154 3.735 539 H SER 905 H SER 905 1.284 3.665 6.112 540 HA SER 905 HA SER 905 2.151 0.981 7.064 541 1HB SER 905 1HB SER 905 1.439 1.377 9.195 542 2HB SER 905 2HB SER 905 1.782 3.070 8.763 543 HG SER 905 HG SER 905 -0.373 3.341 8.245 544 HA PRO 906 HA PRO 906 -1.725 -0.586 5.657 545 1HB PRO 906 1HB PRO 906 -3.099 -1.631 7.764 546 2HB PRO 906 2HB PRO 906 -1.510 -2.287 7.253 547 1HG PRO 906 1HG PRO 906 -2.043 -0.258 9.442 548 2HG PRO 906 2HG PRO 906 -1.097 -1.776 9.573 549 1HD PRO 906 1HD PRO 906 0.116 0.620 9.110 550 2HD PRO 906 2HD PRO 906 0.679 -0.858 8.272 551 H GLU 907 H GLU 907 -1.986 1.709 8.350 552 HA GLU 907 HA GLU 907 -4.784 2.268 8.005 553 1HB GLU 907 1HB GLU 907 -2.495 3.796 9.296 554 2HB GLU 907 2HB GLU 907 -4.195 4.318 9.362 555 1HG GLU 907 1HG GLU 907 -4.627 2.861 11.020 556 2HG GLU 907 2HG GLU 907 -4.010 1.512 10.041 557 H TRP 908 H TRP 908 -1.785 3.444 6.532 558 HA TRP 908 HA TRP 908 -2.909 5.798 5.349 559 1HB TRP 908 1HB TRP 908 -0.521 5.522 5.639 560 2HB TRP 908 2HB TRP 908 -0.525 4.066 4.635 561 HD1 TRP 908 HD TRP 908 -0.791 7.870 4.402 562 HE1 TRP 908 1HE TRP 908 -0.270 8.634 2.029 563 HE3 TRP 908 3HE TRP 908 -0.509 3.295 2.125 564 HZ2 TRP 908 2HZ TRP 908 0.212 7.416 -0.552 565 HZ3 TRP 908 3HZ TRP 908 -0.018 3.137 -0.288 566 HH2 TRP 908 HH TRP 908 0.344 5.183 -1.638 567 H ILE 909 H ILE 909 -2.422 2.430 4.204 568 HA ILE 909 HA ILE 909 -3.301 2.794 1.556 569 HB ILE 909 HB ILE 909 -3.088 0.523 3.488 570 1HG1 ILE 909 1HG1 ILE 909 -2.289 0.054 0.738 571 2HG1 ILE 909 2HG1 ILE 909 -1.648 1.617 1.300 572 1HG2 ILE 909 1HG2 ILE 909 -5.103 -0.273 2.687 573 2HG2 ILE 909 2HG2 ILE 909 -4.994 0.662 1.177 574 3HG2 ILE 909 3HG2 ILE 909 -4.044 -0.831 1.369 575 1HD1 ILE 909 1HD1 ILE 909 -1.165 0.076 3.498 576 2HD1 ILE 909 2HD1 ILE 909 -1.016 -1.148 2.214 577 3HD1 ILE 909 3HD1 ILE 909 0.011 0.306 2.181 578 H TRP 910 H TRP 910 -5.181 1.779 4.468 579 HA TRP 910 HA TRP 910 -7.690 1.670 3.176 580 1HB TRP 910 1HB TRP 910 -7.223 2.508 6.043 581 2HB TRP 910 2HB TRP 910 -8.617 1.654 5.367 582 HD1 TRP 910 HD TRP 910 -5.951 0.961 7.552 583 HE1 TRP 910 1HE TRP 910 -5.199 -1.473 7.555 584 HE3 TRP 910 3HE TRP 910 -8.104 -0.556 3.162 585 HZ2 TRP 910 2HZ TRP 910 -5.490 -3.803 5.863 586 HZ3 TRP 910 3HZ TRP 910 -7.844 -2.885 2.392 587 HH2 TRP 910 HH TRP 910 -6.544 -4.518 3.727 588 H ALA 911 H ALA 911 -6.316 4.308 5.228 589 HA ALA 911 HA ALA 911 -8.373 6.168 4.747 590 1HB ALA 911 1HB ALA 911 -6.564 7.858 5.340 591 2HB ALA 911 2HB ALA 911 -6.804 6.546 6.519 592 3HB ALA 911 3HB ALA 911 -5.423 6.492 5.397 593 H CYS 912 H CYS 912 -5.539 5.246 2.830 594 HA CYS 912 HA CYS 912 -5.678 7.479 1.017 595 1HB CYS 912 1HB CYS 912 -4.388 4.729 0.885 596 2HB CYS 912 2HB CYS 912 -4.220 5.951 -0.400 597 HG CYS 912 HG CYS 912 -3.914 7.170 2.526 598 H ILE 913 H ILE 913 -6.150 4.016 0.170 599 HA ILE 913 HA ILE 913 -7.581 4.355 -2.144 600 HB ILE 913 HB ILE 913 -6.888 2.166 -1.420 601 1HG1 ILE 913 1HG1 ILE 913 -9.932 2.333 -1.354 602 2HG1 ILE 913 2HG1 ILE 913 -8.935 2.287 -2.828 603 1HG2 ILE 913 1HG2 ILE 913 -8.843 1.570 0.608 604 2HG2 ILE 913 2HG2 ILE 913 -7.068 1.550 0.739 605 3HG2 ILE 913 3HG2 ILE 913 -7.969 3.047 1.080 606 1HD1 ILE 913 1HD1 ILE 913 -9.951 0.070 -1.475 607 2HD1 ILE 913 2HD1 ILE 913 -8.633 0.047 -2.671 608 3HD1 ILE 913 3HD1 ILE 913 -8.257 0.143 -0.934 609 H ARG 914 H ARG 914 -8.856 4.408 1.207 610 HA ARG 914 HA ARG 914 -11.599 4.683 0.442 611 1HB ARG 914 1HB ARG 914 -10.733 3.940 2.688 612 2HB ARG 914 2HB ARG 914 -10.242 5.623 2.996 613 1HG ARG 914 1HG ARG 914 -12.921 5.726 2.048 614 2HG ARG 914 2HG ARG 914 -12.863 4.418 3.254 615 1HD ARG 914 1HD ARG 914 -11.410 6.939 3.932 616 2HD ARG 914 2HD ARG 914 -13.184 7.024 3.919 617 HE ARG 914 HE ARG 914 -12.083 4.745 5.388 618 1HH1 ARG 914 2HH2 ARG 914 -13.133 8.119 5.490 619 2HH1 ARG 914 1HH2 ARG 914 -13.441 8.114 7.212 620 1HH2 ARG 914 2HH1 ARG 914 -12.489 4.738 7.662 621 2HH2 ARG 914 1HH1 ARG 914 -13.074 6.187 8.450 622 H LYS 915 H LYS 915 -8.888 6.906 0.699 623 HA LYS 915 HA LYS 915 -10.660 9.255 0.605 624 1HB LYS 915 1HB LYS 915 -7.678 8.802 0.854 625 2HB LYS 915 2HB LYS 915 -8.341 10.412 0.484 626 1HG LYS 915 1HG LYS 915 -9.333 8.739 2.820 627 2HG LYS 915 2HG LYS 915 -7.970 9.875 2.971 628 1HD LYS 915 1HD LYS 915 -9.338 11.751 2.428 629 2HD LYS 915 2HD LYS 915 -10.651 10.716 1.818 630 1HE LYS 915 1HE LYS 915 -10.466 9.751 4.338 631 2HE LYS 915 2HE LYS 915 -9.906 11.413 4.627 632 1HZ LYS 915 1HZ LYS 915 -11.929 12.174 4.331 633 2HZ LYS 915 2HZ LYS 915 -12.203 11.278 2.974 634 3HZ LYS 915 3HZ LYS 915 -12.461 10.619 4.463 635 H ARG 916 H ARG 916 -9.247 7.025 -1.546 636 HA ARG 916 HA ARG 916 -9.127 6.973 -3.831 637 1HB ARG 916 1HB ARG 916 -10.942 9.330 -3.357 638 2HB ARG 916 2HB ARG 916 -10.344 9.001 -5.000 639 1HG ARG 916 1HG ARG 916 -12.448 7.830 -4.733 640 2HG ARG 916 2HG ARG 916 -11.147 6.615 -4.724 641 1HD ARG 916 1HD ARG 916 -12.747 6.157 -2.918 642 2HD ARG 916 2HD ARG 916 -11.172 6.628 -2.242 643 HE ARG 916 HE ARG 916 -12.388 9.009 -2.258 644 1HH1 ARG 916 2HH2 ARG 916 -13.616 5.819 -1.352 645 2HH1 ARG 916 1HH2 ARG 916 -14.749 6.439 -0.172 646 1HH2 ARG 916 2HH1 ARG 916 -13.885 9.828 -0.699 647 2HH2 ARG 916 1HH1 ARG 916 -14.902 8.725 0.200 648 H ARG 917 H ARG 917 -7.583 9.110 -1.873 649 HA ARG 917 HA ARG 917 -5.733 9.875 -4.033 650 1HB ARG 917 1HB ARG 917 -5.849 12.205 -2.547 651 2HB ARG 917 2HB ARG 917 -6.618 11.954 -4.133 652 1HG ARG 917 1HG ARG 917 -8.090 10.992 -1.702 653 2HG ARG 917 2HG ARG 917 -8.028 12.747 -1.991 654 1HD ARG 917 1HD ARG 917 -8.700 12.127 -4.438 655 2HD ARG 917 2HD ARG 917 -9.192 10.569 -3.740 656 HE ARG 917 HE ARG 917 -10.368 12.497 -2.115 657 1HH1 ARG 917 2HH2 ARG 917 -10.396 11.639 -5.545 658 2HH1 ARG 917 1HH2 ARG 917 -12.031 12.202 -5.813 659 1HH2 ARG 917 2HH1 ARG 917 -12.527 13.240 -2.469 660 2HH2 ARG 917 1HH1 ARG 917 -13.245 13.114 -4.059 661 H LEU 918 H LEU 918 -3.784 9.227 -3.355 662 HA LEU 918 HA LEU 918 -3.059 8.169 -0.969 663 1HB LEU 918 1HB LEU 918 -1.531 9.865 -2.946 664 2HB LEU 918 2HB LEU 918 -0.732 9.257 -1.476 665 HG LEU 918 HG LEU 918 -0.404 7.313 -2.579 666 1HD1 LEU 918 1HD1 LEU 918 -2.477 5.875 -2.941 667 2HD1 LEU 918 2HD1 LEU 918 -2.281 6.522 -1.294 668 3HD1 LEU 918 3HD1 LEU 918 -3.442 7.275 -2.414 669 1HD2 LEU 918 1HD2 LEU 918 -0.630 8.426 -4.724 670 2HD2 LEU 918 2HD2 LEU 918 -1.507 6.880 -4.811 671 3HD2 LEU 918 3HD2 LEU 918 -2.406 8.402 -4.600 672 H VAL 919 H VAL 919 -3.052 8.801 1.101 673 HA VAL 919 HA VAL 919 -3.239 11.700 1.671 674 HB VAL 919 HB VAL 919 -4.380 11.115 3.580 675 1HG1 VAL 919 1HG1 VAL 919 -5.998 10.033 2.434 676 2HG1 VAL 919 2HG1 VAL 919 -4.804 9.267 1.359 677 3HG1 VAL 919 3HG1 VAL 919 -5.214 8.510 2.917 678 1HG2 VAL 919 1HG2 VAL 919 -2.188 9.309 3.863 679 2HG2 VAL 919 2HG2 VAL 919 -3.386 9.775 5.095 680 3HG2 VAL 919 3HG2 VAL 919 -3.679 8.356 4.061 681 H ALA 920 H ALA 920 -2.272 11.631 4.321 682 HA ALA 920 HA ALA 920 0.543 11.914 3.830 683 1HB ALA 920 1HB ALA 920 -0.793 11.731 6.544 684 2HB ALA 920 2HB ALA 920 0.654 12.659 6.079 685 3HB ALA 920 3HB ALA 920 -0.953 13.171 5.510 686 HA PRO 921 HA PRO 921 1.357 7.548 4.443 687 1HB PRO 921 1HB PRO 921 3.942 7.602 3.584 688 2HB PRO 921 2HB PRO 921 2.564 7.777 2.448 689 1HG PRO 921 1HG PRO 921 4.190 9.997 3.723 690 2HG PRO 921 2HG PRO 921 3.831 9.774 1.979 691 1HD PRO 921 1HD PRO 921 2.324 11.423 3.541 692 2HD PRO 921 2HD PRO 921 1.550 10.389 2.302 693 H CYS 922 H CYS 922 1.927 6.622 6.339 694 HA CYS 922 HA CYS 922 3.277 6.200 8.197 695 1HB CYS 922 1HB CYS 922 5.059 7.620 6.941 696 2HB CYS 922 2HB CYS 922 4.490 8.963 7.963 697 HG CYS 922 HG CYS 922 5.272 8.235 10.110 Start of MODEL 3 1 H GLY 835 H GLY 835 -11.215 -2.974 11.945 2 1HA GLY 835 1HA GLY 835 -8.566 -4.043 11.311 3 2HA GLY 835 2HA GLY 835 -9.928 -4.919 10.577 4 H SER 836 H SER 836 -11.724 -3.062 9.854 5 HA SER 836 HA SER 836 -12.060 -1.060 8.647 6 1HB SER 836 1HB SER 836 -9.129 -1.064 7.889 7 2HB SER 836 2HB SER 836 -10.278 0.296 7.899 8 HG SER 836 HG SER 836 -10.100 0.459 10.022 9 H ALA 837 H ALA 837 -9.512 -3.250 7.326 10 HA ALA 837 HA ALA 837 -10.127 -3.113 4.641 11 1HB ALA 837 1HB ALA 837 -8.897 -5.062 4.423 12 2HB ALA 837 2HB ALA 837 -8.390 -4.547 6.050 13 3HB ALA 837 3HB ALA 837 -9.627 -5.812 5.862 14 H ASP 838 H ASP 838 -11.514 -5.520 6.954 15 HA ASP 838 HA ASP 838 -13.373 -6.664 5.220 16 1HB ASP 838 1HB ASP 838 -14.440 -7.497 7.165 17 2HB ASP 838 2HB ASP 838 -12.732 -7.311 7.618 18 H GLU 839 H GLU 839 -13.297 -3.463 6.571 19 HA GLU 839 HA GLU 839 -16.158 -3.056 5.881 20 1HB GLU 839 1HB GLU 839 -14.232 -1.841 7.799 21 2HB GLU 839 2HB GLU 839 -15.372 -0.721 7.015 22 1HG GLU 839 1HG GLU 839 -16.794 -3.107 7.765 23 2HG GLU 839 2HG GLU 839 -15.871 -2.534 9.172 24 H THR 840 H THR 840 -13.018 -2.720 4.632 25 HA THR 840 HA THR 840 -13.938 -0.542 2.815 26 HB THR 840 HB THR 840 -11.108 -1.292 3.649 27 HG1 THR 840 1HG THR 840 -12.336 -0.228 5.259 28 1HG2 THR 840 1HG2 THR 840 -11.487 -0.362 1.296 29 2HG2 THR 840 2HG2 THR 840 -12.085 1.122 2.077 30 3HG2 THR 840 3HG2 THR 840 -10.405 0.593 2.338 31 H LEU 841 H LEU 841 -11.273 -2.956 2.719 32 HA LEU 841 HA LEU 841 -11.589 -3.437 -0.068 33 1HB LEU 841 1HB LEU 841 -9.491 -3.843 1.136 34 2HB LEU 841 2HB LEU 841 -10.276 -5.111 2.108 35 HG LEU 841 HG LEU 841 -8.920 -5.573 -0.237 36 1HD1 LEU 841 1HD1 LEU 841 -9.368 -7.496 0.931 37 2HD1 LEU 841 2HD1 LEU 841 -11.012 -6.972 1.365 38 3HD1 LEU 841 3HD1 LEU 841 -10.690 -7.638 -0.253 39 1HD2 LEU 841 1HD2 LEU 841 -10.204 -5.204 -2.051 40 2HD2 LEU 841 2HD2 LEU 841 -11.528 -6.162 -1.344 41 3HD2 LEU 841 3HD2 LEU 841 -11.408 -4.419 -1.001 42 H CYS 842 H CYS 842 -13.665 -4.184 2.416 43 HA CYS 842 HA CYS 842 -14.396 -6.866 1.987 44 1HB CYS 842 1HB CYS 842 -15.419 -5.932 3.842 45 2HB CYS 842 2HB CYS 842 -15.756 -4.391 3.014 46 HG CYS 842 HG CYS 842 -17.987 -5.671 3.627 47 H GLN 843 H GLN 843 -14.582 -4.163 -0.122 48 HA GLN 843 HA GLN 843 -16.838 -5.264 -1.661 49 1HB GLN 843 1HB GLN 843 -15.117 -2.939 -2.511 50 2HB GLN 843 2HB GLN 843 -16.852 -3.221 -2.790 51 1HG GLN 843 1HG GLN 843 -16.316 -3.167 0.054 52 2HG GLN 843 2HG GLN 843 -15.647 -1.707 -0.707 53 1HE2 GLN 843 1HE2 GLN 843 -18.111 -2.316 1.061 54 2HE2 GLN 843 2HE2 GLN 843 -19.433 -1.547 0.208 55 H THR 844 H THR 844 -15.144 -7.253 -1.704 56 HA THR 844 HA THR 844 -13.975 -8.626 -3.114 57 HB THR 844 HB THR 844 -15.505 -6.959 -4.797 58 HG1 THR 844 1HG THR 844 -15.661 -9.073 -5.093 59 1HG2 THR 844 1HG2 THR 844 -13.774 -7.046 -6.790 60 2HG2 THR 844 2HG2 THR 844 -13.745 -5.678 -5.651 61 3HG2 THR 844 3HG2 THR 844 -12.566 -7.002 -5.483 62 H LYS 845 H LYS 845 -13.084 -5.343 -4.321 63 HA LYS 845 HA LYS 845 -10.416 -5.626 -3.133 64 1HB LYS 845 1HB LYS 845 -11.012 -5.985 -6.035 65 2HB LYS 845 2HB LYS 845 -9.615 -4.960 -5.625 66 1HG LYS 845 1HG LYS 845 -10.094 -7.767 -4.536 67 2HG LYS 845 2HG LYS 845 -8.997 -7.372 -5.881 68 1HD LYS 845 1HD LYS 845 -7.420 -7.139 -4.257 69 2HD LYS 845 2HD LYS 845 -8.202 -5.570 -3.947 70 1HE LYS 845 1HE LYS 845 -8.298 -6.479 -1.822 71 2HE LYS 845 2HE LYS 845 -9.840 -7.072 -2.476 72 1HZ LYS 845 1HZ LYS 845 -8.295 -9.008 -3.219 73 2HZ LYS 845 2HZ LYS 845 -7.399 -8.512 -1.927 74 3HZ LYS 845 3HZ LYS 845 -8.969 -8.969 -1.715 75 H VAL 846 H VAL 846 -13.080 -3.858 -4.369 76 HA VAL 846 HA VAL 846 -13.412 -1.596 -4.770 77 HB VAL 846 HB VAL 846 -13.612 -0.681 -2.714 78 1HG1 VAL 846 1HG1 VAL 846 -12.095 -2.807 -1.308 79 2HG1 VAL 846 2HG1 VAL 846 -13.798 -2.316 -1.137 80 3HG1 VAL 846 3HG1 VAL 846 -13.314 -3.403 -2.461 81 1HG2 VAL 846 1HG2 VAL 846 -11.798 0.090 -1.460 82 2HG2 VAL 846 2HG2 VAL 846 -10.787 -1.318 -1.867 83 3HG2 VAL 846 3HG2 VAL 846 -11.071 -0.046 -3.079 84 H LEU 847 H LEU 847 -10.087 -1.860 -3.375 85 HA LEU 847 HA LEU 847 -8.103 -0.950 -4.061 86 1HB LEU 847 1HB LEU 847 -9.333 -0.586 -6.806 87 2HB LEU 847 2HB LEU 847 -7.635 -0.911 -6.382 88 HG LEU 847 HG LEU 847 -8.635 -2.972 -7.209 89 1HD1 LEU 847 1HD1 LEU 847 -8.799 -3.710 -4.374 90 2HD1 LEU 847 2HD1 LEU 847 -7.608 -4.194 -5.605 91 3HD1 LEU 847 3HD1 LEU 847 -7.399 -2.665 -4.716 92 1HD2 LEU 847 1HD2 LEU 847 -10.608 -3.100 -4.960 93 2HD2 LEU 847 2HD2 LEU 847 -10.997 -2.016 -6.316 94 3HD2 LEU 847 3HD2 LEU 847 -10.721 -3.749 -6.613 95 H LEU 848 H LEU 848 -10.159 0.863 -6.366 96 HA LEU 848 HA LEU 848 -10.698 3.089 -6.477 97 1HB LEU 848 1HB LEU 848 -10.197 2.694 -3.560 98 2HB LEU 848 2HB LEU 848 -10.164 4.369 -4.162 99 HG LEU 848 HG LEU 848 -12.408 2.423 -4.818 100 1HD1 LEU 848 1HD1 LEU 848 -13.337 4.374 -3.009 101 2HD1 LEU 848 2HD1 LEU 848 -13.097 2.642 -2.678 102 3HD1 LEU 848 3HD1 LEU 848 -11.798 3.805 -2.321 103 1HD2 LEU 848 1HD2 LEU 848 -13.254 4.139 -6.021 104 2HD2 LEU 848 2HD2 LEU 848 -12.978 5.291 -4.692 105 3HD2 LEU 848 3HD2 LEU 848 -11.669 4.929 -5.843 106 H ASP 849 H ASP 849 -9.635 5.316 -6.381 107 HA ASP 849 HA ASP 849 -6.858 4.990 -7.232 108 1HB ASP 849 1HB ASP 849 -8.677 7.422 -7.060 109 2HB ASP 849 2HB ASP 849 -7.068 7.392 -7.813 110 H ILE 850 H ILE 850 -6.598 4.214 -4.778 111 HA ILE 850 HA ILE 850 -6.252 6.455 -2.925 112 HB ILE 850 HB ILE 850 -5.099 3.860 -2.171 113 1HG1 ILE 850 1HG1 ILE 850 -6.931 3.231 -3.851 114 2HG1 ILE 850 2HG1 ILE 850 -7.113 2.562 -2.211 115 1HG2 ILE 850 1HG2 ILE 850 -6.172 6.069 -0.932 116 2HG2 ILE 850 2HG2 ILE 850 -7.532 4.923 -0.849 117 3HG2 ILE 850 3HG2 ILE 850 -5.954 4.484 -0.152 118 1HD1 ILE 850 1HD1 ILE 850 -9.234 3.416 -2.424 119 2HD1 ILE 850 2HD1 ILE 850 -8.432 4.914 -1.894 120 3HD1 ILE 850 3HD1 ILE 850 -8.736 4.632 -3.625 121 H PHE 851 H PHE 851 -3.906 3.832 -3.084 122 HA PHE 851 HA PHE 851 -1.683 5.562 -2.890 123 1HB PHE 851 1HB PHE 851 -1.517 2.835 -4.155 124 2HB PHE 851 2HB PHE 851 -0.387 3.627 -3.043 125 HD1 PHE 851 1HD PHE 851 -2.691 1.049 -3.290 126 HD2 PHE 851 2HD PHE 851 -1.602 4.280 -0.677 127 HE1 PHE 851 1HE PHE 851 -3.740 -0.140 -1.383 128 HE2 PHE 851 2HE PHE 851 -2.651 3.091 1.230 129 HZ PHE 851 HZ PHE 851 -3.720 0.881 0.877 130 H THR 852 H THR 852 -3.529 6.305 -5.087 131 HA THR 852 HA THR 852 -2.754 5.685 -7.640 132 HB THR 852 HB THR 852 -4.318 7.604 -6.499 133 HG1 THR 852 1HG THR 852 -4.967 7.546 -8.478 134 1HG2 THR 852 1HG2 THR 852 -3.440 9.799 -7.297 135 2HG2 THR 852 2HG2 THR 852 -2.411 9.083 -6.033 136 3HG2 THR 852 3HG2 THR 852 -1.910 9.003 -7.739 137 H GLY 853 H GLY 853 -0.684 5.257 -8.232 138 1HA GLY 853 1HA GLY 853 1.454 5.776 -8.925 139 2HA GLY 853 2HA GLY 853 1.152 7.473 -8.488 140 H VAL 854 H VAL 854 0.347 5.410 -5.916 141 HA VAL 854 HA VAL 854 2.747 6.260 -4.450 142 HB VAL 854 HB VAL 854 0.081 5.031 -3.729 143 1HG1 VAL 854 1HG1 VAL 854 0.787 4.552 -1.539 144 2HG1 VAL 854 2HG1 VAL 854 2.159 3.980 -2.518 145 3HG1 VAL 854 3HG1 VAL 854 2.251 5.552 -1.689 146 1HG2 VAL 854 1HG2 VAL 854 0.001 7.399 -3.853 147 2HG2 VAL 854 2HG2 VAL 854 0.239 7.062 -2.122 148 3HG2 VAL 854 3HG2 VAL 854 1.616 7.577 -3.126 149 H ARG 855 H ARG 855 4.511 5.028 -4.873 150 HA ARG 855 HA ARG 855 4.173 2.108 -5.155 151 1HB ARG 855 1HB ARG 855 6.270 2.116 -6.181 152 2HB ARG 855 2HB ARG 855 5.623 3.704 -6.657 153 1HG ARG 855 1HG ARG 855 6.760 4.580 -4.485 154 2HG ARG 855 2HG ARG 855 7.676 3.054 -4.525 155 1HD ARG 855 1HD ARG 855 8.769 5.050 -5.696 156 2HD ARG 855 2HD ARG 855 8.623 3.562 -6.657 157 HE ARG 855 HE ARG 855 6.716 4.572 -7.815 158 1HH1 ARG 855 2HH2 ARG 855 8.724 6.686 -5.815 159 2HH1 ARG 855 1HH2 ARG 855 8.244 8.151 -6.640 160 1HH2 ARG 855 2HH1 ARG 855 6.082 6.508 -8.905 161 2HH2 ARG 855 1HH1 ARG 855 6.737 8.050 -8.402 162 H LEU 856 H LEU 856 3.645 1.587 -2.972 163 HA LEU 856 HA LEU 856 5.770 2.155 -0.979 164 1HB LEU 856 1HB LEU 856 4.125 2.165 0.583 165 2HB LEU 856 2HB LEU 856 3.037 2.378 -0.809 166 HG LEU 856 HG LEU 856 2.609 0.006 -0.934 167 1HD1 LEU 856 1HD1 LEU 856 5.101 -0.096 0.657 168 2HD1 LEU 856 2HD1 LEU 856 3.839 -1.222 1.212 169 3HD1 LEU 856 3HD1 LEU 856 4.418 -1.293 -0.470 170 1HD2 LEU 856 1HD2 LEU 856 1.261 -0.124 0.917 171 2HD2 LEU 856 2HD2 LEU 856 2.588 0.268 2.038 172 3HD2 LEU 856 3HD2 LEU 856 1.775 1.567 1.132 173 H TYR 857 H TYR 857 6.984 0.545 -0.075 174 HA TYR 857 HA TYR 857 7.020 -2.005 -1.456 175 1HB TYR 857 1HB TYR 857 9.153 -1.609 -0.864 176 2HB TYR 857 2HB TYR 857 8.684 -0.482 0.420 177 HD1 TYR 857 1HD TYR 857 8.019 -4.147 -0.086 178 HD2 TYR 857 2HD TYR 857 9.755 -1.090 2.383 179 HE1 TYR 857 1HE TYR 857 8.593 -5.852 1.621 180 HE2 TYR 857 2HE TYR 857 10.330 -2.795 4.090 181 HH TYR 857 HH TYR 857 10.086 -4.988 4.741 182 H LEU 858 H LEU 858 5.277 -3.299 -1.058 183 HA LEU 858 HA LEU 858 4.203 -3.526 1.655 184 1HB LEU 858 1HB LEU 858 2.741 -3.521 -0.359 185 2HB LEU 858 2HB LEU 858 3.515 -5.030 -0.900 186 HG LEU 858 HG LEU 858 2.374 -6.295 0.610 187 1HD1 LEU 858 1HD1 LEU 858 1.887 -5.439 2.960 188 2HD1 LEU 858 2HD1 LEU 858 3.612 -5.531 2.531 189 3HD1 LEU 858 3HD1 LEU 858 2.774 -3.960 2.520 190 1HD2 LEU 858 1HD2 LEU 858 0.600 -4.013 1.368 191 2HD2 LEU 858 2HD2 LEU 858 0.771 -4.344 -0.373 192 3HD2 LEU 858 3HD2 LEU 858 0.181 -5.617 0.722 193 HA PRO 859 HA PRO 859 7.155 -6.794 2.482 194 1HB PRO 859 1HB PRO 859 6.648 -6.987 5.152 195 2HB PRO 859 2HB PRO 859 7.520 -5.583 4.454 196 1HG PRO 859 1HG PRO 859 4.561 -5.780 5.086 197 2HG PRO 859 2HG PRO 859 5.701 -4.497 5.606 198 1HD PRO 859 1HD PRO 859 4.128 -4.194 3.400 199 2HD PRO 859 2HD PRO 859 5.823 -3.618 3.392 200 HA PRO 860 HA PRO 860 4.361 -10.204 2.164 201 1HB PRO 860 1HB PRO 860 6.085 -12.258 2.641 202 2HB PRO 860 2HB PRO 860 6.223 -11.229 1.179 203 1HG PRO 860 1HG PRO 860 7.734 -10.925 3.789 204 2HG PRO 860 2HG PRO 860 8.424 -11.003 2.135 205 1HD PRO 860 1HD PRO 860 7.941 -8.618 3.363 206 2HD PRO 860 2HD PRO 860 7.600 -8.825 1.618 207 H SER 861 H SER 861 6.211 -9.397 5.028 208 HA SER 861 HA SER 861 4.918 -11.388 6.719 209 1HB SER 861 1HB SER 861 7.152 -9.580 6.868 210 2HB SER 861 2HB SER 861 6.073 -9.278 8.251 211 HG SER 861 HG SER 861 7.299 -11.701 7.455 212 H THR 862 H THR 862 4.121 -8.309 5.411 213 HA THR 862 HA THR 862 2.553 -7.278 7.570 214 HB THR 862 HB THR 862 3.115 -6.661 4.762 215 HG1 THR 862 1HG THR 862 2.819 -4.568 5.652 216 1HG2 THR 862 1HG2 THR 862 1.055 -5.690 4.130 217 2HG2 THR 862 2HG2 THR 862 0.576 -7.254 4.833 218 3HG2 THR 862 3HG2 THR 862 0.410 -5.761 5.788 219 HA PRO 863 HA PRO 863 -0.941 -9.954 7.355 220 1HB PRO 863 1HB PRO 863 -2.728 -8.463 8.773 221 2HB PRO 863 2HB PRO 863 -1.269 -9.172 9.539 222 1HG PRO 863 1HG PRO 863 -1.592 -6.360 8.453 223 2HG PRO 863 2HG PRO 863 -1.011 -6.837 10.081 224 1HD PRO 863 1HD PRO 863 0.729 -6.281 8.058 225 2HD PRO 863 2HD PRO 863 1.050 -7.634 9.185 226 H ASP 864 H ASP 864 -2.740 -10.228 6.043 227 HA ASP 864 HA ASP 864 -4.337 -9.734 4.466 228 1HB ASP 864 1HB ASP 864 -4.060 -7.293 5.953 229 2HB ASP 864 2HB ASP 864 -4.196 -6.890 4.228 230 H PHE 865 H PHE 865 -1.179 -9.574 4.204 231 HA PHE 865 HA PHE 865 -0.413 -7.961 2.099 232 1HB PHE 865 1HB PHE 865 0.952 -9.632 3.449 233 2HB PHE 865 2HB PHE 865 0.341 -10.885 2.355 234 HD1 PHE 865 1HD PHE 865 2.013 -7.520 2.226 235 HD2 PHE 865 2HD PHE 865 1.597 -11.425 0.484 236 HE1 PHE 865 1HE PHE 865 3.821 -6.993 0.612 237 HE2 PHE 865 2HE PHE 865 3.405 -10.898 -1.129 238 HZ PHE 865 HZ PHE 865 4.517 -8.682 -1.066 239 H SER 866 H SER 866 -1.946 -11.217 1.873 240 HA SER 866 HA SER 866 -2.039 -11.825 -0.705 241 1HB SER 866 1HB SER 866 -4.441 -12.475 -0.440 242 2HB SER 866 2HB SER 866 -3.426 -12.971 0.936 243 HG SER 866 HG SER 866 -4.886 -11.936 2.036 244 H ARG 867 H ARG 867 -4.571 -9.555 0.509 245 HA ARG 867 HA ARG 867 -5.014 -8.550 -2.180 246 1HB ARG 867 1HB ARG 867 -6.033 -7.374 0.424 247 2HB ARG 867 2HB ARG 867 -6.773 -7.287 -1.192 248 1HG ARG 867 1HG ARG 867 -8.010 -9.068 -0.509 249 2HG ARG 867 2HG ARG 867 -6.533 -10.016 -0.805 250 1HD ARG 867 1HD ARG 867 -5.908 -9.209 1.641 251 2HD ARG 867 2HD ARG 867 -7.665 -8.994 1.792 252 HE ARG 867 HE ARG 867 -7.191 -11.556 0.688 253 1HH1 ARG 867 2HH2 ARG 867 -6.656 -9.743 3.676 254 2HH1 ARG 867 1HH2 ARG 867 -6.725 -11.155 4.706 255 1HH2 ARG 867 2HH1 ARG 867 -7.281 -13.422 2.049 256 2HH2 ARG 867 1HH1 ARG 867 -7.081 -13.252 3.779 257 H LEU 868 H LEU 868 -3.577 -7.303 0.871 258 HA LEU 868 HA LEU 868 -3.056 -4.714 0.386 259 1HB LEU 868 1HB LEU 868 -1.488 -6.924 1.608 260 2HB LEU 868 2HB LEU 868 -0.565 -5.458 1.199 261 HG LEU 868 HG LEU 868 -2.739 -5.853 3.210 262 1HD1 LEU 868 1HD1 LEU 868 -0.068 -4.637 2.936 263 2HD1 LEU 868 2HD1 LEU 868 -1.218 -3.609 3.824 264 3HD1 LEU 868 3HD1 LEU 868 -0.889 -5.266 4.385 265 1HD2 LEU 868 1HD2 LEU 868 -3.312 -3.399 3.056 266 2HD2 LEU 868 2HD2 LEU 868 -2.441 -3.346 1.504 267 3HD2 LEU 868 3HD2 LEU 868 -3.892 -4.363 1.676 268 H ARG 869 H ARG 869 -1.169 -7.410 -1.080 269 HA ARG 869 HA ARG 869 0.467 -5.664 -2.669 270 1HB ARG 869 1HB ARG 869 0.273 -8.448 -2.064 271 2HB ARG 869 2HB ARG 869 0.211 -8.280 -3.835 272 1HG ARG 869 1HG ARG 869 2.194 -6.584 -3.463 273 2HG ARG 869 2HG ARG 869 2.379 -7.435 -1.910 274 1HD ARG 869 1HD ARG 869 2.646 -8.515 -4.721 275 2HD ARG 869 2HD ARG 869 3.776 -8.657 -3.357 276 HE ARG 869 HE ARG 869 1.553 -9.994 -2.465 277 1HH1 ARG 869 2HH2 ARG 869 3.533 -10.151 -5.390 278 2HH1 ARG 869 1HH2 ARG 869 3.255 -11.858 -5.652 279 1HH2 ARG 869 2HH1 ARG 869 1.186 -12.249 -2.811 280 2HH2 ARG 869 1HH1 ARG 869 1.917 -13.054 -4.181 281 H ARG 870 H ARG 870 -1.541 -8.217 -4.131 282 HA ARG 870 HA ARG 870 -1.967 -7.153 -6.575 283 1HB ARG 870 1HB ARG 870 -3.316 -9.046 -4.872 284 2HB ARG 870 2HB ARG 870 -4.529 -8.095 -5.761 285 1HG ARG 870 1HG ARG 870 -3.852 -10.060 -7.082 286 2HG ARG 870 2HG ARG 870 -3.314 -8.565 -7.883 287 1HD ARG 870 1HD ARG 870 -1.406 -9.940 -7.976 288 2HD ARG 870 2HD ARG 870 -1.101 -8.913 -6.558 289 HE ARG 870 HE ARG 870 -1.108 -10.809 -5.257 290 1HH1 ARG 870 2HH2 ARG 870 -2.932 -11.404 -8.227 291 2HH1 ARG 870 1HH2 ARG 870 -3.227 -13.091 -7.869 292 1HH2 ARG 870 2HH1 ARG 870 -1.497 -13.037 -4.785 293 2HH2 ARG 870 1HH1 ARG 870 -2.409 -14.022 -5.908 294 H TYR 871 H TYR 871 -4.176 -6.492 -3.790 295 HA TYR 871 HA TYR 871 -5.860 -4.660 -4.960 296 1HB TYR 871 1HB TYR 871 -5.818 -5.564 -2.572 297 2HB TYR 871 2HB TYR 871 -4.650 -4.282 -2.209 298 HD1 TYR 871 1HD TYR 871 -7.761 -4.281 -4.314 299 HD2 TYR 871 2HD TYR 871 -5.718 -2.703 -0.880 300 HE1 TYR 871 1HE TYR 871 -9.625 -2.690 -3.936 301 HE2 TYR 871 2HE TYR 871 -7.582 -1.112 -0.502 302 HH TYR 871 HH TYR 871 -10.238 -1.103 -1.180 303 H PHE 872 H PHE 872 -3.077 -3.558 -2.949 304 HA PHE 872 HA PHE 872 -3.003 -0.933 -3.723 305 1HB PHE 872 1HB PHE 872 -1.529 -2.108 -2.057 306 2HB PHE 872 2HB PHE 872 -0.557 -2.701 -3.415 307 HD1 PHE 872 1HD PHE 872 0.018 -0.648 -5.166 308 HD2 PHE 872 2HD PHE 872 -0.627 -0.309 -0.933 309 HE1 PHE 872 1HE PHE 872 1.347 1.446 -5.131 310 HE2 PHE 872 2HE PHE 872 0.702 1.785 -0.898 311 HZ PHE 872 HZ PHE 872 1.689 2.662 -2.997 312 H VAL 873 H VAL 873 -0.263 -2.701 -5.045 313 HA VAL 873 HA VAL 873 0.292 -1.358 -7.256 314 HB VAL 873 HB VAL 873 1.590 -3.226 -7.237 315 1HG1 VAL 873 1HG1 VAL 873 0.334 -4.202 -5.341 316 2HG1 VAL 873 2HG1 VAL 873 -0.890 -4.827 -6.472 317 3HG1 VAL 873 3HG1 VAL 873 0.774 -5.454 -6.526 318 1HG2 VAL 873 1HG2 VAL 873 1.033 -4.778 -9.005 319 2HG2 VAL 873 2HG2 VAL 873 -0.703 -4.418 -8.848 320 3HG2 VAL 873 3HG2 VAL 873 0.408 -3.181 -9.484 321 H ALA 874 H ALA 874 -2.546 -3.518 -6.969 322 HA ALA 874 HA ALA 874 -3.422 -3.370 -9.645 323 1HB ALA 874 1HB ALA 874 -4.376 -4.966 -8.107 324 2HB ALA 874 2HB ALA 874 -4.937 -3.668 -7.026 325 3HB ALA 874 3HB ALA 874 -5.679 -3.872 -8.631 326 H PHE 875 H PHE 875 -4.179 -1.283 -6.811 327 HA PHE 875 HA PHE 875 -6.063 0.409 -7.831 328 1HB PHE 875 1HB PHE 875 -3.566 1.246 -6.318 329 2HB PHE 875 2HB PHE 875 -5.080 2.161 -6.423 330 HD1 PHE 875 1HD PHE 875 -5.739 -1.331 -6.290 331 HD2 PHE 875 2HD PHE 875 -4.720 2.042 -3.832 332 HE1 PHE 875 1HE PHE 875 -6.602 -2.524 -4.294 333 HE2 PHE 875 2HE PHE 875 -5.584 0.848 -1.836 334 HZ PHE 875 HZ PHE 875 -6.524 -1.435 -2.068 335 H ASP 876 H ASP 876 -2.526 0.570 -8.464 336 HA ASP 876 HA ASP 876 -2.335 1.144 -11.027 337 1HB ASP 876 1HB ASP 876 -3.876 3.337 -9.759 338 2HB ASP 876 2HB ASP 876 -2.560 3.860 -10.833 339 H GLY 877 H GLY 877 -1.167 1.121 -8.044 340 1HA GLY 877 1HA GLY 877 1.078 2.999 -8.507 341 2HA GLY 877 2HA GLY 877 0.684 2.171 -6.983 342 H ASP 878 H ASP 878 2.668 1.185 -6.621 343 HA ASP 878 HA ASP 878 3.186 -1.199 -8.217 344 1HB ASP 878 1HB ASP 878 4.821 1.279 -8.452 345 2HB ASP 878 2HB ASP 878 5.722 -0.240 -8.251 346 H LEU 879 H LEU 879 4.774 -2.603 -7.179 347 HA LEU 879 HA LEU 879 5.350 -1.835 -4.362 348 1HB LEU 879 1HB LEU 879 4.432 -4.588 -5.261 349 2HB LEU 879 2HB LEU 879 4.650 -3.999 -3.595 350 HG LEU 879 HG LEU 879 2.523 -3.223 -5.614 351 1HD1 LEU 879 1HD1 LEU 879 1.625 -4.904 -4.313 352 2HD1 LEU 879 2HD1 LEU 879 2.690 -4.550 -2.932 353 3HD1 LEU 879 3HD1 LEU 879 1.273 -3.521 -3.249 354 1HD2 LEU 879 1HD2 LEU 879 3.854 -1.539 -3.619 355 2HD2 LEU 879 2HD2 LEU 879 2.672 -1.091 -4.873 356 3HD2 LEU 879 3HD2 LEU 879 2.111 -1.700 -3.297 357 H VAL 880 H VAL 880 7.468 -1.968 -3.942 358 HA VAL 880 HA VAL 880 9.130 -3.653 -5.740 359 HB VAL 880 HB VAL 880 10.561 -1.869 -3.923 360 1HG1 VAL 880 1HG1 VAL 880 11.840 -1.524 -5.814 361 2HG1 VAL 880 2HG1 VAL 880 11.047 -3.043 -6.296 362 3HG1 VAL 880 3HG1 VAL 880 10.425 -1.486 -6.893 363 1HG2 VAL 880 1HG2 VAL 880 8.850 -0.293 -3.931 364 2HG2 VAL 880 2HG2 VAL 880 9.705 0.154 -5.427 365 3HG2 VAL 880 3HG2 VAL 880 8.223 -0.828 -5.509 366 H GLN 881 H GLN 881 10.454 -5.248 -4.924 367 HA GLN 881 HA GLN 881 9.716 -6.403 -2.413 368 1HB GLN 881 1HB GLN 881 12.211 -6.962 -4.054 369 2HB GLN 881 2HB GLN 881 11.375 -8.062 -2.932 370 1HG GLN 881 1HG GLN 881 9.921 -8.707 -4.529 371 2HG GLN 881 2HG GLN 881 9.540 -7.021 -4.942 372 1HE2 GLN 881 1HE2 GLN 881 9.871 -6.606 -7.047 373 2HE2 GLN 881 2HE2 GLN 881 11.184 -7.238 -8.018 374 H GLU 882 H GLU 882 10.557 -6.172 -0.402 375 HA GLU 882 HA GLU 882 11.782 -4.071 0.632 376 1HB GLU 882 1HB GLU 882 11.230 -6.141 1.890 377 2HB GLU 882 2HB GLU 882 12.699 -6.909 1.241 378 1HG GLU 882 1HG GLU 882 13.759 -4.596 2.198 379 2HG GLU 882 2HG GLU 882 12.402 -4.798 3.327 380 H PHE 883 H PHE 883 13.952 -6.809 -0.257 381 HA PHE 883 HA PHE 883 16.273 -5.169 -0.351 382 1HB PHE 883 1HB PHE 883 17.371 -7.101 -1.187 383 2HB PHE 883 2HB PHE 883 16.134 -7.679 -0.058 384 HD1 PHE 883 1HD PHE 883 17.246 -7.584 -3.547 385 HD2 PHE 883 2HD PHE 883 14.096 -8.797 -0.890 386 HE1 PHE 883 1HE PHE 883 16.314 -9.047 -5.319 387 HE2 PHE 883 2HE PHE 883 13.165 -10.260 -2.662 388 HZ PHE 883 HZ PHE 883 14.274 -10.385 -4.877 389 H ASP 884 H ASP 884 13.723 -4.576 -2.115 390 HA ASP 884 HA ASP 884 15.323 -3.703 -4.438 391 1HB ASP 884 1HB ASP 884 12.812 -5.408 -4.593 392 2HB ASP 884 2HB ASP 884 13.495 -4.513 -5.968 393 H MET 885 H MET 885 15.101 -1.562 -3.783 394 HA MET 885 HA MET 885 12.425 -0.429 -4.239 395 1HB MET 885 1HB MET 885 13.064 0.995 -2.033 396 2HB MET 885 2HB MET 885 12.065 -0.478 -1.978 397 1HG MET 885 1HG MET 885 14.267 -1.767 -1.725 398 2HG MET 885 2HG MET 885 15.033 -0.198 -1.423 399 1HE MET 885 1HE MET 885 12.346 -2.772 1.103 400 2HE MET 885 2HE MET 885 11.337 -1.546 0.299 401 3HE MET 885 3HE MET 885 12.380 -2.614 -0.670 402 H THR 886 H THR 886 15.911 -0.056 -3.626 403 HA THR 886 HA THR 886 16.818 2.302 -3.805 404 HB THR 886 HB THR 886 18.351 1.787 -5.517 405 HG1 THR 886 1HG THR 886 16.446 0.014 -6.641 406 1HG2 THR 886 1HG2 THR 886 18.162 0.057 -3.662 407 2HG2 THR 886 2HG2 THR 886 17.198 -0.933 -4.784 408 3HG2 THR 886 3HG2 THR 886 18.890 -0.540 -5.173 409 H SER 887 H SER 887 14.821 1.169 -6.585 410 HA SER 887 HA SER 887 14.472 3.992 -7.402 411 1HB SER 887 1HB SER 887 14.441 1.354 -8.720 412 2HB SER 887 2HB SER 887 13.110 2.424 -9.222 413 HG SER 887 HG SER 887 14.569 3.342 -10.403 414 H ALA 888 H ALA 888 12.951 1.528 -5.575 415 HA ALA 888 HA ALA 888 10.254 1.734 -6.093 416 1HB ALA 888 1HB ALA 888 10.942 0.242 -4.394 417 2HB ALA 888 2HB ALA 888 11.810 1.517 -3.504 418 3HB ALA 888 3HB ALA 888 10.030 1.500 -3.526 419 H THR 889 H THR 889 8.670 2.903 -4.407 420 HA THR 889 HA THR 889 9.507 5.758 -4.254 421 HB THR 889 HB THR 889 7.759 4.835 -6.119 422 HG1 THR 889 1HG THR 889 7.662 6.902 -6.417 423 1HG2 THR 889 1HG2 THR 889 5.555 4.818 -5.407 424 2HG2 THR 889 2HG2 THR 889 6.345 4.200 -3.936 425 3HG2 THR 889 3HG2 THR 889 5.877 5.914 -4.041 426 H HIS 890 H HIS 890 7.329 3.157 -3.094 427 HA HIS 890 HA HIS 890 7.228 4.593 -0.483 428 1HB HIS 890 1HB HIS 890 5.055 3.197 -2.052 429 2HB HIS 890 2HB HIS 890 4.944 3.390 -0.292 430 HD1 HIS 890 1HD HIS 890 6.236 6.100 -2.736 431 HD2 HIS 890 2HD HIS 890 3.053 5.208 -0.131 432 HE1 HIS 890 1HE HIS 890 4.805 8.213 -2.573 433 H VAL 891 H VAL 891 6.863 3.134 1.381 434 HA VAL 891 HA VAL 891 7.526 0.304 0.915 435 HB VAL 891 HB VAL 891 9.371 0.478 2.650 436 1HG1 VAL 891 1HG1 VAL 891 10.171 0.164 0.475 437 2HG1 VAL 891 2HG1 VAL 891 9.481 1.697 -0.109 438 3HG1 VAL 891 3HG1 VAL 891 10.937 1.710 0.914 439 1HG2 VAL 891 1HG2 VAL 891 9.046 3.439 1.999 440 2HG2 VAL 891 2HG2 VAL 891 8.739 2.672 3.575 441 3HG2 VAL 891 3HG2 VAL 891 10.393 2.731 2.922 442 H LEU 892 H LEU 892 6.360 -0.942 2.265 443 HA LEU 892 HA LEU 892 4.740 0.365 4.313 444 1HB LEU 892 1HB LEU 892 4.401 -1.804 2.627 445 2HB LEU 892 2HB LEU 892 4.731 -2.578 4.195 446 HG LEU 892 HG LEU 892 2.982 -0.364 4.678 447 1HD1 LEU 892 1HD1 LEU 892 1.563 -0.291 2.928 448 2HD1 LEU 892 2HD1 LEU 892 2.632 -1.411 2.049 449 3HD1 LEU 892 3HD1 LEU 892 1.297 -2.048 3.040 450 1HD2 LEU 892 1HD2 LEU 892 1.405 -2.358 5.212 451 2HD2 LEU 892 2HD2 LEU 892 2.782 -3.389 4.755 452 3HD2 LEU 892 3HD2 LEU 892 2.936 -2.249 6.113 453 H GLY 893 H GLY 893 5.383 0.654 6.360 454 1HA GLY 893 1HA GLY 893 6.542 0.395 8.325 455 2HA GLY 893 2HA GLY 893 6.514 -1.350 7.982 456 H SER 894 H SER 894 8.509 1.305 8.479 457 HA SER 894 HA SER 894 10.806 1.449 8.443 458 1HB SER 894 1HB SER 894 10.393 -1.367 7.489 459 2HB SER 894 2HB SER 894 11.988 -0.615 7.246 460 HG SER 894 HG SER 894 12.179 -0.318 9.410 461 H ARG 895 H ARG 895 12.642 1.655 6.787 462 HA ARG 895 HA ARG 895 11.636 1.990 4.027 463 1HB ARG 895 1HB ARG 895 12.659 4.284 3.965 464 2HB ARG 895 2HB ARG 895 11.232 4.164 5.023 465 1HG ARG 895 1HG ARG 895 12.562 4.137 6.996 466 2HG ARG 895 2HG ARG 895 14.051 3.785 6.086 467 1HD ARG 895 1HD ARG 895 13.071 6.151 4.940 468 2HD ARG 895 2HD ARG 895 12.793 6.359 6.683 469 HE ARG 895 HE ARG 895 15.440 5.341 6.135 470 1HH1 ARG 895 2HH2 ARG 895 13.425 8.246 6.142 471 2HH1 ARG 895 1HH2 ARG 895 14.766 9.342 6.388 472 1HH2 ARG 895 2HH1 ARG 895 17.212 6.789 6.460 473 2HH2 ARG 895 1HH1 ARG 895 16.926 8.511 6.569 474 H ASP 896 H ASP 896 14.265 1.800 6.396 475 HA ASP 896 HA ASP 896 16.614 2.051 5.404 476 1HB ASP 896 1HB ASP 896 16.511 0.528 7.182 477 2HB ASP 896 2HB ASP 896 15.410 -0.563 6.313 478 H LYS 897 H LYS 897 15.177 -1.023 4.224 479 HA LYS 897 HA LYS 897 16.670 -1.558 2.076 480 1HB LYS 897 1HB LYS 897 14.042 -1.772 1.044 481 2HB LYS 897 2HB LYS 897 14.993 -3.036 1.861 482 1HG LYS 897 1HG LYS 897 13.057 -2.905 3.192 483 2HG LYS 897 2HG LYS 897 14.203 -1.860 4.065 484 1HD LYS 897 1HD LYS 897 13.230 0.070 2.629 485 2HD LYS 897 2HD LYS 897 11.900 -1.055 2.262 486 1HE LYS 897 1HE LYS 897 12.001 -1.382 4.937 487 2HE LYS 897 2HE LYS 897 12.631 0.277 4.841 488 1HZ LYS 897 1HZ LYS 897 10.699 0.999 3.861 489 2HZ LYS 897 2HZ LYS 897 10.190 -0.514 3.447 490 3HZ LYS 897 3HZ LYS 897 10.162 -0.038 5.026 491 H ASN 898 H ASN 898 14.393 1.158 2.302 492 HA ASN 898 HA ASN 898 15.742 2.482 0.094 493 1HB ASN 898 1HB ASN 898 13.543 0.832 -0.521 494 2HB ASN 898 2HB ASN 898 12.900 2.488 -0.516 495 1HD2 ASN 898 1HD2 ASN 898 12.753 3.067 -2.629 496 2HD2 ASN 898 2HD2 ASN 898 14.064 2.970 -3.786 497 HA PRO 899 HA PRO 899 14.248 5.374 3.253 498 1HB PRO 899 1HB PRO 899 16.284 7.164 2.977 499 2HB PRO 899 2HB PRO 899 16.510 5.597 3.820 500 1HG PRO 899 1HG PRO 899 17.142 6.235 0.924 501 2HG PRO 899 2HG PRO 899 18.234 5.492 2.138 502 1HD PRO 899 1HD PRO 899 16.810 3.966 0.386 503 2HD PRO 899 2HD PRO 899 17.009 3.447 2.088 504 H ALA 900 H ALA 900 14.718 5.452 -0.155 505 HA ALA 900 HA ALA 900 13.749 8.207 -0.467 506 1HB ALA 900 1HB ALA 900 13.995 6.259 -2.739 507 2HB ALA 900 2HB ALA 900 14.381 7.996 -2.682 508 3HB ALA 900 3HB ALA 900 15.482 6.814 -1.932 509 H ALA 901 H ALA 901 12.380 5.252 0.267 510 HA ALA 901 HA ALA 901 9.986 5.608 -1.412 511 1HB ALA 901 1HB ALA 901 10.959 3.349 -1.030 512 2HB ALA 901 2HB ALA 901 10.649 3.531 0.713 513 3HB ALA 901 3HB ALA 901 9.287 3.476 -0.433 514 H GLN 902 H GLN 902 8.179 4.500 0.599 515 HA GLN 902 HA GLN 902 8.020 6.810 2.476 516 1HB GLN 902 1HB GLN 902 5.957 5.630 0.620 517 2HB GLN 902 2HB GLN 902 5.448 6.385 2.150 518 1HG GLN 902 1HG GLN 902 7.112 7.676 -0.051 519 2HG GLN 902 2HG GLN 902 5.425 8.055 0.361 520 1HE2 GLN 902 1HE2 GLN 902 6.031 7.669 3.303 521 2HE2 GLN 902 2HE2 GLN 902 6.851 9.137 3.788 522 H GLN 903 H GLN 903 7.713 6.275 4.573 523 HA GLN 903 HA GLN 903 7.551 3.417 5.225 524 1HB GLN 903 1HB GLN 903 8.086 5.967 6.764 525 2HB GLN 903 2HB GLN 903 7.766 4.431 7.604 526 1HG GLN 903 1HG GLN 903 9.868 3.736 7.207 527 2HG GLN 903 2HG GLN 903 9.642 3.968 5.460 528 1HE2 GLN 903 1HE2 GLN 903 10.143 6.049 4.512 529 2HE2 GLN 903 2HE2 GLN 903 11.262 7.136 5.307 530 H VAL 904 H VAL 904 5.259 3.673 4.093 531 HA VAL 904 HA VAL 904 3.218 4.761 5.888 532 HB VAL 904 HB VAL 904 1.927 4.742 4.036 533 1HG1 VAL 904 1HG1 VAL 904 4.427 5.161 3.249 534 2HG1 VAL 904 2HG1 VAL 904 4.198 3.608 2.410 535 3HG1 VAL 904 3HG1 VAL 904 3.124 4.981 2.049 536 1HG2 VAL 904 1HG2 VAL 904 1.897 2.636 2.518 537 2HG2 VAL 904 2HG2 VAL 904 2.901 1.881 3.779 538 3HG2 VAL 904 3HG2 VAL 904 1.268 2.468 4.175 539 H SER 905 H SER 905 1.242 3.245 6.275 540 HA SER 905 HA SER 905 2.211 0.529 7.008 541 1HB SER 905 1HB SER 905 1.581 0.753 9.198 542 2HB SER 905 2HB SER 905 1.947 2.465 8.873 543 HG SER 905 HG SER 905 -0.201 2.853 8.549 544 HA PRO 906 HA PRO 906 -1.747 -1.010 5.790 545 1HB PRO 906 1HB PRO 906 -3.045 -2.076 7.935 546 2HB PRO 906 2HB PRO 906 -1.483 -2.736 7.352 547 1HG PRO 906 1HG PRO 906 -1.912 -0.737 9.590 548 2HG PRO 906 2HG PRO 906 -0.973 -2.263 9.660 549 1HD PRO 906 1HD PRO 906 0.240 0.131 9.184 550 2HD PRO 906 2HD PRO 906 0.756 -1.339 8.303 551 H GLU 907 H GLU 907 -1.852 1.287 8.480 552 HA GLU 907 HA GLU 907 -4.670 1.861 8.262 553 1HB GLU 907 1HB GLU 907 -2.303 2.893 9.734 554 2HB GLU 907 2HB GLU 907 -3.601 4.073 9.434 555 1HG GLU 907 1HG GLU 907 -4.751 3.166 11.141 556 2HG GLU 907 2HG GLU 907 -4.891 1.668 10.196 557 H TRP 908 H TRP 908 -1.712 3.015 6.699 558 HA TRP 908 HA TRP 908 -2.812 5.420 5.615 559 1HB TRP 908 1HB TRP 908 -0.411 4.977 5.793 560 2HB TRP 908 2HB TRP 908 -0.559 3.626 4.661 561 HD1 TRP 908 HD TRP 908 -0.824 7.458 4.765 562 HE1 TRP 908 1HE TRP 908 -0.335 8.413 2.455 563 HE3 TRP 908 3HE TRP 908 -0.455 3.078 2.143 564 HZ2 TRP 908 2HZ TRP 908 0.157 7.408 -0.214 565 HZ3 TRP 908 3HZ TRP 908 0.024 3.117 -0.278 566 HH2 TRP 908 HH TRP 908 0.331 5.268 -1.468 567 H ILE 909 H ILE 909 -2.325 2.131 4.216 568 HA ILE 909 HA ILE 909 -3.360 2.540 1.687 569 HB ILE 909 HB ILE 909 -3.235 0.243 3.593 570 1HG1 ILE 909 1HG1 ILE 909 -2.558 -0.313 0.848 571 2HG1 ILE 909 2HG1 ILE 909 -1.849 1.255 1.304 572 1HG2 ILE 909 1HG2 ILE 909 -4.457 -1.198 1.957 573 2HG2 ILE 909 2HG2 ILE 909 -5.514 0.017 2.715 574 3HG2 ILE 909 3HG2 ILE 909 -4.923 0.264 1.054 575 1HD1 ILE 909 1HD1 ILE 909 -1.403 -1.470 2.539 576 2HD1 ILE 909 2HD1 ILE 909 -0.202 -0.273 1.999 577 3HD1 ILE 909 3HD1 ILE 909 -1.127 0.006 3.494 578 H TRP 910 H TRP 910 -5.243 1.538 4.606 579 HA TRP 910 HA TRP 910 -7.776 1.694 3.350 580 1HB TRP 910 1HB TRP 910 -7.294 2.314 6.260 581 2HB TRP 910 2HB TRP 910 -8.665 1.482 5.514 582 HD1 TRP 910 HD TRP 910 -5.976 0.717 7.672 583 HE1 TRP 910 1HE TRP 910 -5.211 -1.709 7.565 584 HE3 TRP 910 3HE TRP 910 -8.160 -0.621 3.241 585 HZ2 TRP 910 2HZ TRP 910 -5.505 -3.966 5.777 586 HZ3 TRP 910 3HZ TRP 910 -7.895 -2.914 2.369 587 HH2 TRP 910 HH TRP 910 -6.574 -4.595 3.621 588 H ALA 911 H ALA 911 -6.144 4.062 5.535 589 HA ALA 911 HA ALA 911 -8.041 6.099 5.365 590 1HB ALA 911 1HB ALA 911 -6.134 7.616 5.901 591 2HB ALA 911 2HB ALA 911 -6.154 6.153 6.915 592 3HB ALA 911 3HB ALA 911 -5.009 6.280 5.558 593 H CYS 912 H CYS 912 -5.434 5.206 3.104 594 HA CYS 912 HA CYS 912 -5.799 7.519 1.413 595 1HB CYS 912 1HB CYS 912 -4.535 4.833 0.744 596 2HB CYS 912 2HB CYS 912 -4.247 6.395 -0.062 597 HG CYS 912 HG CYS 912 -2.730 5.050 2.221 598 H ILE 913 H ILE 913 -6.210 4.064 0.500 599 HA ILE 913 HA ILE 913 -7.817 4.383 -1.688 600 HB ILE 913 HB ILE 913 -7.002 2.209 -0.963 601 1HG1 ILE 913 1HG1 ILE 913 -10.022 2.051 -0.748 602 2HG1 ILE 913 2HG1 ILE 913 -9.228 2.508 -2.274 603 1HG2 ILE 913 1HG2 ILE 913 -7.183 1.551 1.184 604 2HG2 ILE 913 2HG2 ILE 913 -8.082 3.045 1.543 605 3HG2 ILE 913 3HG2 ILE 913 -8.959 1.573 1.062 606 1HD1 ILE 913 1HD1 ILE 913 -8.093 0.424 -2.436 607 2HD1 ILE 913 2HD1 ILE 913 -8.414 0.025 -0.731 608 3HD1 ILE 913 3HD1 ILE 913 -9.742 -0.001 -1.917 609 H ARG 914 H ARG 914 -8.745 4.698 1.724 610 HA ARG 914 HA ARG 914 -11.585 4.805 1.189 611 1HB ARG 914 1HB ARG 914 -10.569 4.129 3.374 612 2HB ARG 914 2HB ARG 914 -10.008 5.804 3.592 613 1HG ARG 914 1HG ARG 914 -12.307 5.059 4.642 614 2HG ARG 914 2HG ARG 914 -12.185 6.640 3.834 615 1HD ARG 914 1HD ARG 914 -12.964 5.503 1.705 616 2HD ARG 914 2HD ARG 914 -13.286 4.051 2.677 617 HE ARG 914 HE ARG 914 -14.918 6.420 2.508 618 1HH1 ARG 914 2HH2 ARG 914 -13.810 3.869 4.692 619 2HH1 ARG 914 1HH2 ARG 914 -15.222 3.947 5.720 620 1HH2 ARG 914 2HH1 ARG 914 -16.784 6.522 3.867 621 2HH2 ARG 914 1HH1 ARG 914 -16.918 5.460 5.250 622 H LYS 915 H LYS 915 -8.905 7.120 1.352 623 HA LYS 915 HA LYS 915 -10.765 9.397 1.189 624 1HB LYS 915 1HB LYS 915 -7.735 9.177 1.321 625 2HB LYS 915 2HB LYS 915 -8.625 10.715 1.228 626 1HG LYS 915 1HG LYS 915 -9.287 8.655 3.348 627 2HG LYS 915 2HG LYS 915 -7.962 9.820 3.584 628 1HD LYS 915 1HD LYS 915 -9.458 11.693 3.364 629 2HD LYS 915 2HD LYS 915 -10.783 10.647 2.799 630 1HE LYS 915 1HE LYS 915 -9.652 9.821 5.395 631 2HE LYS 915 2HE LYS 915 -10.368 11.447 5.422 632 1HZ LYS 915 1HZ LYS 915 -12.112 9.901 4.034 633 2HZ LYS 915 2HZ LYS 915 -11.638 8.945 5.292 634 3HZ LYS 915 3HZ LYS 915 -12.283 10.435 5.586 635 H ARG 916 H ARG 916 -9.673 7.131 -0.933 636 HA ARG 916 HA ARG 916 -9.411 7.053 -3.206 637 1HB ARG 916 1HB ARG 916 -11.486 8.969 -2.614 638 2HB ARG 916 2HB ARG 916 -10.589 9.496 -4.058 639 1HG ARG 916 1HG ARG 916 -11.294 6.589 -3.852 640 2HG ARG 916 2HG ARG 916 -12.613 7.730 -4.204 641 1HD ARG 916 1HD ARG 916 -10.314 8.446 -5.786 642 2HD ARG 916 2HD ARG 916 -10.634 6.711 -5.997 643 HE ARG 916 HE ARG 916 -13.025 8.362 -6.180 644 1HH1 ARG 916 2HH2 ARG 916 -10.234 7.039 -7.900 645 2HH1 ARG 916 1HH2 ARG 916 -10.992 7.123 -9.474 646 1HH2 ARG 916 2HH1 ARG 916 -14.026 8.472 -8.260 647 2HH2 ARG 916 1HH1 ARG 916 -13.154 7.940 -9.679 648 H ARG 917 H ARG 917 -7.757 9.083 -1.302 649 HA ARG 917 HA ARG 917 -5.974 9.877 -3.502 650 1HB ARG 917 1HB ARG 917 -6.042 12.174 -3.113 651 2HB ARG 917 2HB ARG 917 -7.755 11.727 -2.922 652 1HG ARG 917 1HG ARG 917 -7.353 13.023 -1.003 653 2HG ARG 917 2HG ARG 917 -7.113 11.364 -0.403 654 1HD ARG 917 1HD ARG 917 -5.019 11.912 0.204 655 2HD ARG 917 2HD ARG 917 -4.627 12.215 -1.503 656 HE ARG 917 HE ARG 917 -5.291 14.214 0.555 657 1HH1 ARG 917 2HH2 ARG 917 -4.793 13.448 -2.861 658 2HH1 ARG 917 1HH2 ARG 917 -4.496 15.107 -3.330 659 1HH2 ARG 917 2HH1 ARG 917 -4.899 16.405 -0.066 660 2HH2 ARG 917 1HH1 ARG 917 -4.557 16.793 -1.737 661 H LEU 918 H LEU 918 -3.968 9.319 -2.912 662 HA LEU 918 HA LEU 918 -3.172 8.125 -0.608 663 1HB LEU 918 1HB LEU 918 -1.731 9.960 -2.521 664 2HB LEU 918 2HB LEU 918 -0.882 9.308 -1.098 665 HG LEU 918 HG LEU 918 -0.512 7.444 -2.325 666 1HD1 LEU 918 1HD1 LEU 918 -2.460 5.887 -2.579 667 2HD1 LEU 918 2HD1 LEU 918 -2.353 6.602 -0.952 668 3HD1 LEU 918 3HD1 LEU 918 -3.545 7.222 -2.120 669 1HD2 LEU 918 1HD2 LEU 918 -0.828 8.519 -4.430 670 2HD2 LEU 918 2HD2 LEU 918 -1.843 7.058 -4.501 671 3HD2 LEU 918 3HD2 LEU 918 -2.587 8.645 -4.189 672 H VAL 919 H VAL 919 -3.010 8.628 1.497 673 HA VAL 919 HA VAL 919 -3.270 11.490 2.241 674 HB VAL 919 HB VAL 919 -4.339 10.781 4.164 675 1HG1 VAL 919 1HG1 VAL 919 -6.056 9.738 3.144 676 2HG1 VAL 919 2HG1 VAL 919 -4.985 9.342 1.778 677 3HG1 VAL 919 3HG1 VAL 919 -5.145 8.209 3.142 678 1HG2 VAL 919 1HG2 VAL 919 -3.889 8.724 5.331 679 2HG2 VAL 919 2HG2 VAL 919 -3.046 8.037 3.922 680 3HG2 VAL 919 3HG2 VAL 919 -2.313 9.381 4.829 681 H ALA 920 H ALA 920 -2.241 11.424 4.803 682 HA ALA 920 HA ALA 920 0.562 11.669 4.291 683 1HB ALA 920 1HB ALA 920 0.107 11.458 7.086 684 2HB ALA 920 2HB ALA 920 0.296 12.942 6.121 685 3HB ALA 920 3HB ALA 920 -1.325 12.260 6.398 686 HA PRO 921 HA PRO 921 1.386 7.293 4.778 687 1HB PRO 921 1HB PRO 921 3.973 7.376 3.927 688 2HB PRO 921 2HB PRO 921 2.598 7.589 2.795 689 1HG PRO 921 1HG PRO 921 4.220 9.765 4.146 690 2HG PRO 921 2HG PRO 921 3.866 9.600 2.395 691 1HD PRO 921 1HD PRO 921 2.354 11.196 4.007 692 2HD PRO 921 2HD PRO 921 1.583 10.203 2.733 693 H CYS 922 H CYS 922 1.957 6.302 6.641 694 HA CYS 922 HA CYS 922 3.356 5.821 8.462 695 1HB CYS 922 1HB CYS 922 5.041 7.453 7.285 696 2HB CYS 922 2HB CYS 922 4.426 8.644 8.458 697 HG CYS 922 HG CYS 922 5.604 7.912 10.351 Start of MODEL 4 1 H GLY 835 H GLY 835 -7.527 1.093 10.498 2 1HA GLY 835 1HA GLY 835 -8.063 -1.005 9.463 3 2HA GLY 835 2HA GLY 835 -8.650 -1.144 11.137 4 H SER 836 H SER 836 -9.730 0.175 7.951 5 HA SER 836 HA SER 836 -12.474 -0.761 8.631 6 1HB SER 836 1HB SER 836 -12.039 1.706 8.150 7 2HB SER 836 2HB SER 836 -11.667 1.222 6.478 8 HG SER 836 HG SER 836 -13.914 1.820 6.965 9 H ALA 837 H ALA 837 -9.981 -2.189 7.418 10 HA ALA 837 HA ALA 837 -10.259 -2.754 4.735 11 1HB ALA 837 1HB ALA 837 -9.003 -4.664 5.161 12 2HB ALA 837 2HB ALA 837 -8.669 -3.702 6.621 13 3HB ALA 837 3HB ALA 837 -9.864 -5.020 6.678 14 H ASP 838 H ASP 838 -11.780 -4.750 7.336 15 HA ASP 838 HA ASP 838 -13.456 -6.231 5.655 16 1HB ASP 838 1HB ASP 838 -14.852 -6.517 7.737 17 2HB ASP 838 2HB ASP 838 -13.124 -6.869 7.949 18 H GLU 839 H GLU 839 -13.571 -2.878 6.473 19 HA GLU 839 HA GLU 839 -16.417 -2.717 5.623 20 1HB GLU 839 1HB GLU 839 -14.673 -1.185 7.469 21 2HB GLU 839 2HB GLU 839 -15.735 -0.197 6.438 22 1HG GLU 839 1HG GLU 839 -17.252 -2.441 7.370 23 2HG GLU 839 2HG GLU 839 -16.422 -1.729 8.771 24 H THR 840 H THR 840 -13.198 -2.336 4.539 25 HA THR 840 HA THR 840 -14.107 -0.496 2.377 26 HB THR 840 HB THR 840 -11.310 -1.041 3.448 27 HG1 THR 840 1HG THR 840 -12.730 0.240 4.767 28 1HG2 THR 840 1HG2 THR 840 -11.541 -0.509 0.967 29 2HG2 THR 840 2HG2 THR 840 -12.245 1.054 1.448 30 3HG2 THR 840 3HG2 THR 840 -10.571 0.654 1.903 31 H LEU 841 H LEU 841 -11.421 -2.864 2.752 32 HA LEU 841 HA LEU 841 -11.594 -3.711 0.030 33 1HB LEU 841 1HB LEU 841 -9.531 -3.893 1.325 34 2HB LEU 841 2HB LEU 841 -10.319 -5.002 2.474 35 HG LEU 841 HG LEU 841 -8.894 -5.798 0.252 36 1HD1 LEU 841 1HD1 LEU 841 -9.398 -7.350 1.970 37 2HD1 LEU 841 2HD1 LEU 841 -11.150 -7.073 1.827 38 3HD1 LEU 841 3HD1 LEU 841 -10.285 -7.972 0.558 39 1HD2 LEU 841 1HD2 LEU 841 -11.375 -6.719 -0.820 40 2HD2 LEU 841 2HD2 LEU 841 -11.500 -4.951 -0.656 41 3HD2 LEU 841 3HD2 LEU 841 -10.171 -5.666 -1.600 42 H CYS 842 H CYS 842 -13.747 -4.176 2.519 43 HA CYS 842 HA CYS 842 -14.388 -6.920 2.412 44 1HB CYS 842 1HB CYS 842 -15.489 -5.825 4.121 45 2HB CYS 842 2HB CYS 842 -15.815 -4.380 3.131 46 HG CYS 842 HG CYS 842 -18.119 -5.067 3.205 47 H GLN 843 H GLN 843 -14.572 -4.507 -0.014 48 HA GLN 843 HA GLN 843 -16.770 -5.845 -1.453 49 1HB GLN 843 1HB GLN 843 -15.107 -3.568 -2.525 50 2HB GLN 843 2HB GLN 843 -16.822 -3.947 -2.814 51 1HG GLN 843 1HG GLN 843 -16.364 -3.549 0.019 52 2HG GLN 843 2HG GLN 843 -15.738 -2.157 -0.892 53 1HE2 GLN 843 1HE2 GLN 843 -18.134 -2.431 0.906 54 2HE2 GLN 843 2HE2 GLN 843 -19.497 -1.916 -0.065 55 H THR 844 H THR 844 -15.020 -7.767 -1.242 56 HA THR 844 HA THR 844 -13.779 -9.251 -2.468 57 HB THR 844 HB THR 844 -15.307 -7.829 -4.357 58 HG1 THR 844 1HG THR 844 -13.620 -10.091 -4.692 59 1HG2 THR 844 1HG2 THR 844 -12.348 -7.810 -4.955 60 2HG2 THR 844 2HG2 THR 844 -13.511 -8.037 -6.284 61 3HG2 THR 844 3HG2 THR 844 -13.574 -6.563 -5.288 62 H LYS 845 H LYS 845 -12.943 -6.066 -3.950 63 HA LYS 845 HA LYS 845 -10.305 -6.156 -2.679 64 1HB LYS 845 1HB LYS 845 -10.796 -6.833 -5.544 65 2HB LYS 845 2HB LYS 845 -9.439 -5.732 -5.202 66 1HG LYS 845 1HG LYS 845 -9.884 -8.419 -3.832 67 2HG LYS 845 2HG LYS 845 -8.761 -8.144 -5.185 68 1HD LYS 845 1HD LYS 845 -7.229 -7.682 -3.571 69 2HD LYS 845 2HD LYS 845 -8.072 -6.121 -3.427 70 1HE LYS 845 1HE LYS 845 -8.194 -6.820 -1.229 71 2HE LYS 845 2HE LYS 845 -9.688 -7.550 -1.854 72 1HZ LYS 845 1HZ LYS 845 -8.606 -9.219 -0.727 73 2HZ LYS 845 2HZ LYS 845 -8.254 -9.535 -2.307 74 3HZ LYS 845 3HZ LYS 845 -7.120 -8.840 -1.332 75 H VAL 846 H VAL 846 -12.972 -4.605 -4.171 76 HA VAL 846 HA VAL 846 -13.358 -2.409 -4.805 77 HB VAL 846 HB VAL 846 -13.584 -1.242 -2.876 78 1HG1 VAL 846 1HG1 VAL 846 -13.225 -3.966 -2.341 79 2HG1 VAL 846 2HG1 VAL 846 -12.209 -3.153 -1.127 80 3HG1 VAL 846 3HG1 VAL 846 -13.943 -2.765 -1.241 81 1HG2 VAL 846 1HG2 VAL 846 -10.773 -1.856 -1.936 82 2HG2 VAL 846 2HG2 VAL 846 -11.058 -0.638 -3.202 83 3HG2 VAL 846 3HG2 VAL 846 -11.784 -0.433 -1.590 84 H LEU 847 H LEU 847 -10.044 -2.457 -3.361 85 HA LEU 847 HA LEU 847 -8.074 -1.572 -4.114 86 1HB LEU 847 1HB LEU 847 -9.278 -1.508 -6.893 87 2HB LEU 847 2HB LEU 847 -7.580 -1.758 -6.422 88 HG LEU 847 HG LEU 847 -8.569 -3.904 -7.064 89 1HD1 LEU 847 1HD1 LEU 847 -7.237 -3.367 -4.689 90 2HD1 LEU 847 2HD1 LEU 847 -8.640 -4.316 -4.144 91 3HD1 LEU 847 3HD1 LEU 847 -7.530 -4.989 -5.362 92 1HD2 LEU 847 1HD2 LEU 847 -10.932 -2.942 -6.262 93 2HD2 LEU 847 2HD2 LEU 847 -10.607 -4.692 -6.290 94 3HD2 LEU 847 3HD2 LEU 847 -10.495 -3.790 -4.759 95 H LEU 848 H LEU 848 -10.053 -0.036 -6.658 96 HA LEU 848 HA LEU 848 -10.658 2.155 -6.986 97 1HB LEU 848 1HB LEU 848 -10.372 1.965 -4.060 98 2HB LEU 848 2HB LEU 848 -10.058 3.596 -4.700 99 HG LEU 848 HG LEU 848 -12.468 1.988 -5.595 100 1HD1 LEU 848 1HD1 LEU 848 -13.592 3.653 -3.837 101 2HD1 LEU 848 2HD1 LEU 848 -12.989 2.055 -3.335 102 3HD1 LEU 848 3HD1 LEU 848 -12.006 3.509 -3.042 103 1HD2 LEU 848 1HD2 LEU 848 -11.411 4.767 -5.847 104 2HD2 LEU 848 2HD2 LEU 848 -12.399 3.815 -6.980 105 3HD2 LEU 848 3HD2 LEU 848 -13.165 4.616 -5.588 106 H ASP 849 H ASP 849 -9.643 4.366 -7.178 107 HA ASP 849 HA ASP 849 -6.851 4.025 -7.925 108 1HB ASP 849 1HB ASP 849 -7.158 6.506 -8.530 109 2HB ASP 849 2HB ASP 849 -8.146 5.324 -9.415 110 H ILE 850 H ILE 850 -6.706 3.477 -5.359 111 HA ILE 850 HA ILE 850 -6.368 5.871 -3.727 112 HB ILE 850 HB ILE 850 -5.218 3.313 -2.789 113 1HG1 ILE 850 1HG1 ILE 850 -7.198 2.716 -4.367 114 2HG1 ILE 850 2HG1 ILE 850 -7.226 2.060 -2.712 115 1HG2 ILE 850 1HG2 ILE 850 -7.552 4.669 -1.508 116 2HG2 ILE 850 2HG2 ILE 850 -6.045 4.063 -0.781 117 3HG2 ILE 850 3HG2 ILE 850 -6.054 5.622 -1.639 118 1HD1 ILE 850 1HD1 ILE 850 -9.398 2.930 -2.956 119 2HD1 ILE 850 2HD1 ILE 850 -8.539 4.253 -2.133 120 3HD1 ILE 850 3HD1 ILE 850 -8.832 4.338 -3.886 121 H PHE 851 H PHE 851 -3.989 3.276 -3.623 122 HA PHE 851 HA PHE 851 -1.793 5.057 -3.568 123 1HB PHE 851 1HB PHE 851 -1.585 2.210 -4.529 124 2HB PHE 851 2HB PHE 851 -0.463 3.133 -3.515 125 HD1 PHE 851 1HD PHE 851 -2.731 0.516 -3.465 126 HD2 PHE 851 2HD PHE 851 -1.692 4.040 -1.239 127 HE1 PHE 851 1HE PHE 851 -3.767 -0.461 -1.435 128 HE2 PHE 851 2HE PHE 851 -2.728 3.063 0.791 129 HZ PHE 851 HZ PHE 851 -3.765 0.812 0.694 130 H THR 852 H THR 852 -3.535 5.669 -5.813 131 HA THR 852 HA THR 852 -2.819 4.778 -8.301 132 HB THR 852 HB THR 852 -4.220 6.919 -7.303 133 HG1 THR 852 1HG THR 852 -4.946 6.391 -9.192 134 1HG2 THR 852 1HG2 THR 852 -1.741 7.945 -8.748 135 2HG2 THR 852 2HG2 THR 852 -3.210 8.913 -8.474 136 3HG2 THR 852 3HG2 THR 852 -2.254 8.335 -7.088 137 H GLY 853 H GLY 853 -0.793 4.184 -8.888 138 1HA GLY 853 1HA GLY 853 1.385 4.465 -9.573 139 2HA GLY 853 2HA GLY 853 1.170 6.220 -9.386 140 H VAL 854 H VAL 854 0.231 4.714 -6.530 141 HA VAL 854 HA VAL 854 2.630 5.649 -5.163 142 HB VAL 854 HB VAL 854 -0.032 4.476 -4.343 143 1HG1 VAL 854 1HG1 VAL 854 2.088 5.248 -2.333 144 2HG1 VAL 854 2HG1 VAL 854 0.646 4.229 -2.112 145 3HG1 VAL 854 3HG1 VAL 854 2.055 3.597 -2.998 146 1HG2 VAL 854 1HG2 VAL 854 -0.168 6.804 -4.698 147 2HG2 VAL 854 2HG2 VAL 854 0.132 6.681 -2.948 148 3HG2 VAL 854 3HG2 VAL 854 1.466 7.092 -4.053 149 H ARG 855 H ARG 855 4.416 4.404 -5.413 150 HA ARG 855 HA ARG 855 4.118 1.464 -5.353 151 1HB ARG 855 1HB ARG 855 6.220 1.377 -6.366 152 2HB ARG 855 2HB ARG 855 5.551 2.885 -7.036 153 1HG ARG 855 1HG ARG 855 6.665 4.024 -4.964 154 2HG ARG 855 2HG ARG 855 7.621 2.526 -4.855 155 1HD ARG 855 1HD ARG 855 8.661 4.406 -6.235 156 2HD ARG 855 2HD ARG 855 8.525 2.833 -7.049 157 HE ARG 855 HE ARG 855 6.731 3.687 -8.379 158 1HH1 ARG 855 2HH2 ARG 855 8.206 6.057 -6.210 159 2HH1 ARG 855 1HH2 ARG 855 7.562 7.442 -7.062 160 1HH2 ARG 855 2HH1 ARG 855 5.879 5.517 -9.505 161 2HH2 ARG 855 1HH1 ARG 855 6.235 7.134 -8.940 162 H LEU 856 H LEU 856 3.609 1.166 -3.136 163 HA LEU 856 HA LEU 856 5.712 2.015 -1.218 164 1HB LEU 856 1HB LEU 856 4.067 2.172 0.341 165 2HB LEU 856 2HB LEU 856 2.986 2.239 -1.072 166 HG LEU 856 HG LEU 856 2.558 -0.134 -0.953 167 1HD1 LEU 856 1HD1 LEU 856 5.029 -0.065 0.687 168 2HD1 LEU 856 2HD1 LEU 856 3.763 -1.156 1.298 169 3HD1 LEU 856 3HD1 LEU 856 4.388 -1.357 -0.356 170 1HD2 LEU 856 1HD2 LEU 856 1.669 1.615 0.899 171 2HD2 LEU 856 2HD2 LEU 856 1.227 -0.109 0.928 172 3HD2 LEU 856 3HD2 LEU 856 2.535 0.492 1.975 173 H TYR 857 H TYR 857 6.952 0.542 -0.135 174 HA TYR 857 HA TYR 857 7.029 -2.153 -1.198 175 1HB TYR 857 1HB TYR 857 9.151 -1.639 -0.643 176 2HB TYR 857 2HB TYR 857 8.647 -0.401 0.520 177 HD1 TYR 857 1HD TYR 857 8.077 -4.114 0.364 178 HD2 TYR 857 2HD TYR 857 9.694 -0.789 2.549 179 HE1 TYR 857 1HE TYR 857 8.669 -5.631 2.234 180 HE2 TYR 857 2HE TYR 857 10.286 -2.306 4.420 181 HH TYR 857 HH TYR 857 9.740 -4.492 5.338 182 H LEU 858 H LEU 858 5.285 -3.401 -0.670 183 HA LEU 858 HA LEU 858 4.140 -3.315 2.007 184 1HB LEU 858 1HB LEU 858 2.806 -3.699 -0.080 185 2HB LEU 858 2HB LEU 858 3.640 -5.259 -0.279 186 HG LEU 858 HG LEU 858 2.412 -6.250 1.357 187 1HD1 LEU 858 1HD1 LEU 858 1.807 -4.984 3.497 188 2HD1 LEU 858 2HD1 LEU 858 3.548 -5.177 3.180 189 3HD1 LEU 858 3HD1 LEU 858 2.751 -3.621 2.848 190 1HD2 LEU 858 1HD2 LEU 858 0.582 -3.922 1.673 191 2HD2 LEU 858 2HD2 LEU 858 0.862 -4.460 -0.001 192 3HD2 LEU 858 3HD2 LEU 858 0.223 -5.602 1.206 193 HA PRO 859 HA PRO 859 7.205 -6.260 3.435 194 1HB PRO 859 1HB PRO 859 6.603 -6.056 6.084 195 2HB PRO 859 2HB PRO 859 7.440 -4.738 5.200 196 1HG PRO 859 1HG PRO 859 4.470 -4.977 5.762 197 2HG PRO 859 2HG PRO 859 5.533 -3.574 6.107 198 1HD PRO 859 1HD PRO 859 4.036 -3.698 3.833 199 2HD PRO 859 2HD PRO 859 5.703 -3.049 3.787 200 HA PRO 860 HA PRO 860 4.581 -9.813 3.580 201 1HB PRO 860 1HB PRO 860 6.367 -11.674 4.456 202 2HB PRO 860 2HB PRO 860 6.529 -10.890 2.851 203 1HG PRO 860 1HG PRO 860 7.901 -10.092 5.434 204 2HG PRO 860 2HG PRO 860 8.671 -10.402 3.843 205 1HD PRO 860 1HD PRO 860 8.029 -7.877 4.643 206 2HD PRO 860 2HD PRO 860 7.781 -8.381 2.944 207 H SER 861 H SER 861 6.281 -8.483 6.348 208 HA SER 861 HA SER 861 4.975 -10.227 8.285 209 1HB SER 861 1HB SER 861 7.134 -8.313 8.228 210 2HB SER 861 2HB SER 861 5.991 -7.877 9.521 211 HG SER 861 HG SER 861 7.736 -9.531 9.926 212 H THR 862 H THR 862 4.081 -7.504 6.428 213 HA THR 862 HA THR 862 2.408 -6.173 8.348 214 HB THR 862 HB THR 862 3.180 -5.895 5.583 215 HG1 THR 862 1HG THR 862 2.692 -3.796 6.068 216 1HG2 THR 862 1HG2 THR 862 1.023 -5.098 4.674 217 2HG2 THR 862 2HG2 THR 862 0.933 -6.824 5.096 218 3HG2 THR 862 3HG2 THR 862 0.201 -5.607 6.169 219 HA PRO 863 HA PRO 863 -0.991 -8.972 8.429 220 1HB PRO 863 1HB PRO 863 -2.903 -7.331 9.466 221 2HB PRO 863 2HB PRO 863 -1.468 -7.831 10.419 222 1HG PRO 863 1HG PRO 863 -1.819 -5.272 8.833 223 2HG PRO 863 2HG PRO 863 -1.317 -5.429 10.548 224 1HD PRO 863 1HD PRO 863 0.517 -5.167 8.548 225 2HD PRO 863 2HD PRO 863 0.817 -6.285 9.913 226 H ASP 864 H ASP 864 -2.795 -9.508 7.168 227 HA ASP 864 HA ASP 864 -4.266 -9.393 5.414 228 1HB ASP 864 1HB ASP 864 -4.154 -6.700 6.458 229 2HB ASP 864 2HB ASP 864 -4.308 -6.652 4.689 230 H PHE 865 H PHE 865 -1.077 -8.925 5.310 231 HA PHE 865 HA PHE 865 -0.236 -7.685 3.052 232 1HB PHE 865 1HB PHE 865 1.053 -9.191 4.656 233 2HB PHE 865 2HB PHE 865 0.513 -10.555 3.664 234 HD1 PHE 865 1HD PHE 865 2.019 -7.149 3.107 235 HD2 PHE 865 2HD PHE 865 2.034 -11.328 2.112 236 HE1 PHE 865 1HE PHE 865 3.916 -6.772 1.555 237 HE2 PHE 865 2HE PHE 865 3.931 -10.951 0.559 238 HZ PHE 865 HZ PHE 865 4.872 -8.673 0.281 239 H SER 866 H SER 866 -1.685 -10.990 3.100 240 HA SER 866 HA SER 866 -1.652 -11.842 0.590 241 1HB SER 866 1HB SER 866 -3.068 -13.051 1.995 242 2HB SER 866 2HB SER 866 -3.975 -11.603 2.497 243 HG SER 866 HG SER 866 -4.021 -12.854 -0.053 244 H ARG 867 H ARG 867 -4.489 -9.782 1.378 245 HA ARG 867 HA ARG 867 -4.844 -9.006 -1.352 246 1HB ARG 867 1HB ARG 867 -5.901 -7.506 1.059 247 2HB ARG 867 2HB ARG 867 -6.654 -7.717 -0.541 248 1HG ARG 867 1HG ARG 867 -7.828 -9.360 0.542 249 2HG ARG 867 2HG ARG 867 -6.370 -10.322 0.199 250 1HD ARG 867 1HD ARG 867 -5.698 -8.954 2.527 251 2HD ARG 867 2HD ARG 867 -7.416 -9.338 2.767 252 HE ARG 867 HE ARG 867 -6.033 -11.643 1.787 253 1HH1 ARG 867 2HH2 ARG 867 -6.399 -9.609 4.656 254 2HH1 ARG 867 1HH2 ARG 867 -6.027 -10.895 5.783 255 1HH2 ARG 867 2HH1 ARG 867 -5.543 -13.341 3.275 256 2HH2 ARG 867 1HH1 ARG 867 -5.540 -13.023 4.995 257 H LEU 868 H LEU 868 -3.431 -7.372 1.520 258 HA LEU 868 HA LEU 868 -2.974 -4.845 0.708 259 1HB LEU 868 1HB LEU 868 -1.296 -6.846 2.168 260 2HB LEU 868 2HB LEU 868 -0.515 -5.326 1.669 261 HG LEU 868 HG LEU 868 -2.762 -5.781 3.610 262 1HD1 LEU 868 1HD1 LEU 868 -1.312 -3.440 4.167 263 2HD1 LEU 868 2HD1 LEU 868 -1.071 -5.038 4.912 264 3HD1 LEU 868 3HD1 LEU 868 -0.105 -4.562 3.494 265 1HD2 LEU 868 1HD2 LEU 868 -3.328 -3.301 3.317 266 2HD2 LEU 868 2HD2 LEU 868 -2.462 -3.383 1.764 267 3HD2 LEU 868 3HD2 LEU 868 -3.909 -4.386 2.031 268 H ARG 869 H ARG 869 -1.002 -7.664 -0.363 269 HA ARG 869 HA ARG 869 0.663 -6.147 -2.115 270 1HB ARG 869 1HB ARG 869 0.993 -8.522 -1.151 271 2HB ARG 869 2HB ARG 869 -0.066 -9.065 -2.475 272 1HG ARG 869 1HG ARG 869 1.813 -9.126 -3.742 273 2HG ARG 869 2HG ARG 869 1.715 -7.349 -3.753 274 1HD ARG 869 1HD ARG 869 3.871 -7.665 -2.940 275 2HD ARG 869 2HD ARG 869 2.948 -7.571 -1.425 276 HE ARG 869 HE ARG 869 3.255 -9.880 -1.087 277 1HH1 ARG 869 2HH2 ARG 869 4.560 -8.781 -4.185 278 2HH1 ARG 869 1HH2 ARG 869 5.485 -10.239 -4.468 279 1HH2 ARG 869 2HH1 ARG 869 4.477 -11.805 -1.462 280 2HH2 ARG 869 1HH1 ARG 869 5.437 -11.963 -2.915 281 H ARG 870 H ARG 870 -1.371 -8.764 -3.400 282 HA ARG 870 HA ARG 870 -1.738 -7.871 -5.926 283 1HB ARG 870 1HB ARG 870 -2.666 -9.978 -5.062 284 2HB ARG 870 2HB ARG 870 -3.892 -9.073 -4.141 285 1HG ARG 870 1HG ARG 870 -4.961 -9.785 -6.171 286 2HG ARG 870 2HG ARG 870 -4.624 -8.048 -6.366 287 1HD ARG 870 1HD ARG 870 -3.490 -8.540 -8.246 288 2HD ARG 870 2HD ARG 870 -2.291 -9.385 -7.243 289 HE ARG 870 HE ARG 870 -4.232 -11.275 -7.534 290 1HH1 ARG 870 2HH2 ARG 870 -2.534 -9.165 -9.807 291 2HH1 ARG 870 1HH2 ARG 870 -2.631 -10.294 -11.140 292 1HH2 ARG 870 2HH1 ARG 870 -4.360 -12.766 -9.295 293 2HH2 ARG 870 1HH1 ARG 870 -3.672 -12.347 -10.848 294 H TYR 871 H TYR 871 -4.104 -7.090 -3.306 295 HA TYR 871 HA TYR 871 -5.732 -5.331 -4.595 296 1HB TYR 871 1HB TYR 871 -5.702 -6.042 -2.140 297 2HB TYR 871 2HB TYR 871 -4.549 -4.723 -1.874 298 HD1 TYR 871 1HD TYR 871 -5.623 -3.026 -0.714 299 HD2 TYR 871 2HD TYR 871 -7.662 -4.952 -3.968 300 HE1 TYR 871 1HE TYR 871 -7.505 -1.427 -0.482 301 HE2 TYR 871 2HE TYR 871 -9.543 -3.353 -3.736 302 HH TYR 871 HH TYR 871 -10.222 -1.575 -1.191 303 H PHE 872 H PHE 872 -3.035 -4.000 -2.616 304 HA PHE 872 HA PHE 872 -2.951 -1.466 -3.610 305 1HB PHE 872 1HB PHE 872 -1.482 -2.482 -1.844 306 2HB PHE 872 2HB PHE 872 -0.497 -3.187 -3.137 307 HD1 PHE 872 1HD PHE 872 -0.665 -0.548 -0.891 308 HD2 PHE 872 2HD PHE 872 0.153 -1.330 -5.035 309 HE1 PHE 872 1HE PHE 872 0.651 1.550 -1.028 310 HE2 PHE 872 2HE PHE 872 1.469 0.768 -5.171 311 HZ PHE 872 HZ PHE 872 1.719 2.208 -3.167 312 H VAL 873 H VAL 873 -0.184 -3.305 -4.768 313 HA VAL 873 HA VAL 873 0.355 -2.119 -7.082 314 HB VAL 873 HB VAL 873 1.713 -3.940 -6.828 315 1HG1 VAL 873 1HG1 VAL 873 0.483 -4.895 -4.956 316 2HG1 VAL 873 2HG1 VAL 873 -0.791 -5.490 -6.047 317 3HG1 VAL 873 3HG1 VAL 873 0.842 -6.194 -6.119 318 1HG2 VAL 873 1HG2 VAL 873 -0.275 -5.559 -8.399 319 2HG2 VAL 873 2HG2 VAL 873 0.322 -4.039 -9.107 320 3HG2 VAL 873 3HG2 VAL 873 1.469 -5.329 -8.671 321 H ALA 874 H ALA 874 -2.416 -4.331 -6.614 322 HA ALA 874 HA ALA 874 -3.270 -4.466 -9.298 323 1HB ALA 874 1HB ALA 874 -5.561 -4.836 -8.181 324 2HB ALA 874 2HB ALA 874 -4.251 -5.955 -7.732 325 3HB ALA 874 3HB ALA 874 -4.706 -4.631 -6.633 326 H PHE 875 H PHE 875 -4.004 -2.094 -6.704 327 HA PHE 875 HA PHE 875 -5.962 -0.575 -7.904 328 1HB PHE 875 1HB PHE 875 -3.521 0.471 -6.431 329 2HB PHE 875 2HB PHE 875 -5.062 1.320 -6.639 330 HD1 PHE 875 1HD PHE 875 -4.716 1.437 -4.038 331 HD2 PHE 875 2HD PHE 875 -5.628 -2.158 -6.205 332 HE1 PHE 875 1HE PHE 875 -5.565 0.396 -1.953 333 HE2 PHE 875 2HE PHE 875 -6.478 -3.199 -4.120 334 HZ PHE 875 HZ PHE 875 -6.447 -1.922 -1.994 335 H ASP 876 H ASP 876 -2.429 -0.460 -8.525 336 HA ASP 876 HA ASP 876 -2.209 -0.090 -11.115 337 1HB ASP 876 1HB ASP 876 -3.726 2.240 -10.037 338 2HB ASP 876 2HB ASP 876 -2.457 2.600 -11.228 339 H GLY 877 H GLY 877 -1.062 0.129 -8.141 340 1HA GLY 877 1HA GLY 877 1.175 1.980 -8.746 341 2HA GLY 877 2HA GLY 877 0.762 1.303 -7.154 342 H ASP 878 H ASP 878 2.722 0.343 -6.656 343 HA ASP 878 HA ASP 878 3.268 -2.183 -7.992 344 1HB ASP 878 1HB ASP 878 4.773 0.245 -8.657 345 2HB ASP 878 2HB ASP 878 5.812 -1.056 -8.038 346 H LEU 879 H LEU 879 4.914 -3.434 -6.821 347 HA LEU 879 HA LEU 879 5.447 -2.367 -4.094 348 1HB LEU 879 1HB LEU 879 4.634 -5.231 -4.685 349 2HB LEU 879 2HB LEU 879 4.771 -4.431 -3.101 350 HG LEU 879 HG LEU 879 2.699 -3.969 -5.273 351 1HD1 LEU 879 1HD1 LEU 879 1.795 -5.551 -3.860 352 2HD1 LEU 879 2HD1 LEU 879 2.800 -5.047 -2.481 353 3HD1 LEU 879 3HD1 LEU 879 1.366 -4.094 -2.931 354 1HD2 LEU 879 1HD2 LEU 879 2.117 -2.255 -3.139 355 2HD2 LEU 879 2HD2 LEU 879 3.869 -2.056 -3.382 356 3HD2 LEU 879 3HD2 LEU 879 2.745 -1.772 -4.733 357 H VAL 880 H VAL 880 7.561 -2.423 -3.632 358 HA VAL 880 HA VAL 880 9.278 -4.237 -5.245 359 HB VAL 880 HB VAL 880 10.644 -2.229 -3.618 360 1HG1 VAL 880 1HG1 VAL 880 10.464 -2.416 -6.639 361 2HG1 VAL 880 2HG1 VAL 880 11.835 -1.881 -5.638 362 3HG1 VAL 880 3HG1 VAL 880 11.389 -3.604 -5.690 363 1HG2 VAL 880 1HG2 VAL 880 8.973 -0.655 -3.831 364 2HG2 VAL 880 2HG2 VAL 880 9.729 -0.451 -5.430 365 3HG2 VAL 880 3HG2 VAL 880 8.264 -1.447 -5.259 366 H GLN 881 H GLN 881 10.636 -5.702 -4.260 367 HA GLN 881 HA GLN 881 9.907 -6.610 -1.649 368 1HB GLN 881 1HB GLN 881 12.427 -7.253 -3.223 369 2HB GLN 881 2HB GLN 881 11.646 -8.250 -1.973 370 1HG GLN 881 1HG GLN 881 10.261 -9.162 -3.493 371 2HG GLN 881 2HG GLN 881 9.721 -7.553 -4.021 372 1HE2 GLN 881 1HE2 GLN 881 10.986 -10.359 -5.153 373 2HE2 GLN 881 2HE2 GLN 881 11.921 -9.766 -6.508 374 H GLU 882 H GLU 882 10.721 -6.153 0.335 375 HA GLU 882 HA GLU 882 11.867 -3.917 1.160 376 1HB GLU 882 1HB GLU 882 11.365 -5.866 2.617 377 2HB GLU 882 2HB GLU 882 12.865 -6.647 2.063 378 1HG GLU 882 1HG GLU 882 13.884 -4.261 2.787 379 2HG GLU 882 2HG GLU 882 12.483 -4.298 3.880 380 H PHE 883 H PHE 883 14.122 -6.665 0.551 381 HA PHE 883 HA PHE 883 16.388 -4.948 0.299 382 1HB PHE 883 1HB PHE 883 17.565 -6.935 -0.338 383 2HB PHE 883 2HB PHE 883 16.401 -7.375 0.923 384 HD1 PHE 883 1HD PHE 883 14.407 -8.707 0.388 385 HD2 PHE 883 2HD PHE 883 17.335 -7.752 -2.605 386 HE1 PHE 883 1HE PHE 883 13.467 -10.462 -1.091 387 HE2 PHE 883 2HE PHE 883 16.396 -9.507 -4.085 388 HZ PHE 883 HZ PHE 883 14.462 -10.862 -3.328 389 H ASP 884 H ASP 884 13.862 -4.624 -1.528 390 HA ASP 884 HA ASP 884 15.450 -4.021 -3.938 391 1HB ASP 884 1HB ASP 884 12.969 -5.778 -3.911 392 2HB ASP 884 2HB ASP 884 13.692 -5.077 -5.375 393 H MET 885 H MET 885 15.157 -1.822 -3.447 394 HA MET 885 HA MET 885 12.459 -0.827 -4.098 395 1HB MET 885 1HB MET 885 13.029 0.861 -2.067 396 2HB MET 885 2HB MET 885 12.071 -0.623 -1.851 397 1HG MET 885 1HG MET 885 14.311 -1.808 -1.435 398 2HG MET 885 2HG MET 885 15.018 -0.189 -1.295 399 1HE MET 885 1HE MET 885 12.355 -2.549 1.467 400 2HE MET 885 2HE MET 885 11.338 -1.462 0.490 401 3HE MET 885 3HE MET 885 12.439 -2.608 -0.311 402 H THR 886 H THR 886 15.922 -0.265 -3.473 403 HA THR 886 HA THR 886 16.770 2.071 -3.923 404 HB THR 886 HB THR 886 18.329 1.412 -5.565 405 HG1 THR 886 1HG THR 886 17.773 0.312 -7.283 406 1HG2 THR 886 1HG2 THR 886 18.036 -0.134 -3.491 407 2HG2 THR 886 2HG2 THR 886 17.331 -1.296 -4.640 408 3HG2 THR 886 3HG2 THR 886 19.008 -0.740 -4.853 409 H SER 887 H SER 887 14.889 0.581 -6.619 410 HA SER 887 HA SER 887 14.460 3.282 -7.739 411 1HB SER 887 1HB SER 887 14.495 0.508 -8.739 412 2HB SER 887 2HB SER 887 13.144 1.481 -9.370 413 HG SER 887 HG SER 887 15.865 2.293 -9.346 414 H ALA 888 H ALA 888 12.969 1.006 -5.654 415 HA ALA 888 HA ALA 888 10.275 1.094 -6.205 416 1HB ALA 888 1HB ALA 888 10.926 -0.169 -4.335 417 2HB ALA 888 2HB ALA 888 11.840 1.181 -3.621 418 3HB ALA 888 3HB ALA 888 10.060 1.206 -3.607 419 H THR 889 H THR 889 8.675 2.422 -4.619 420 HA THR 889 HA THR 889 9.442 5.292 -4.823 421 HB THR 889 HB THR 889 7.724 4.114 -6.574 422 HG1 THR 889 1HG THR 889 6.825 6.300 -6.679 423 1HG2 THR 889 1HG2 THR 889 5.819 5.407 -4.640 424 2HG2 THR 889 2HG2 THR 889 5.511 4.166 -5.877 425 3HG2 THR 889 3HG2 THR 889 6.302 3.720 -4.346 426 H HIS 890 H HIS 890 7.330 2.789 -3.370 427 HA HIS 890 HA HIS 890 7.171 4.520 -0.949 428 1HB HIS 890 1HB HIS 890 5.038 2.908 -2.358 429 2HB HIS 890 2HB HIS 890 4.911 3.295 -0.632 430 HD1 HIS 890 1HD HIS 890 6.141 5.724 -3.389 431 HD2 HIS 890 2HD HIS 890 3.005 5.096 -0.653 432 HE1 HIS 890 1HE HIS 890 4.673 7.817 -3.460 433 H VAL 891 H VAL 891 6.765 3.254 1.065 434 HA VAL 891 HA VAL 891 7.500 0.413 0.939 435 HB VAL 891 HB VAL 891 9.316 0.874 2.699 436 1HG1 VAL 891 1HG1 VAL 891 9.331 0.967 -0.186 437 2HG1 VAL 891 2HG1 VAL 891 10.582 2.069 0.437 438 3HG1 VAL 891 3HG1 VAL 891 10.589 0.354 0.914 439 1HG2 VAL 891 1HG2 VAL 891 8.736 3.196 3.200 440 2HG2 VAL 891 2HG2 VAL 891 10.364 3.143 2.482 441 3HG2 VAL 891 3HG2 VAL 891 8.972 3.654 1.496 442 H LEU 892 H LEU 892 6.213 -0.634 2.331 443 HA LEU 892 HA LEU 892 4.598 0.854 4.221 444 1HB LEU 892 1HB LEU 892 4.432 -1.592 2.864 445 2HB LEU 892 2HB LEU 892 4.629 -2.045 4.574 446 HG LEU 892 HG LEU 892 2.801 0.216 4.270 447 1HD1 LEU 892 1HD1 LEU 892 1.018 -1.593 3.365 448 2HD1 LEU 892 2HD1 LEU 892 1.917 -0.515 2.271 449 3HD1 LEU 892 3HD1 LEU 892 2.466 -2.190 2.519 450 1HD2 LEU 892 1HD2 LEU 892 3.021 -1.205 6.281 451 2HD2 LEU 892 2HD2 LEU 892 1.364 -1.274 5.635 452 3HD2 LEU 892 3HD2 LEU 892 2.490 -2.621 5.343 453 H GLY 893 H GLY 893 5.155 1.402 6.242 454 1HA GLY 893 1HA GLY 893 6.371 1.509 8.192 455 2HA GLY 893 2HA GLY 893 6.279 -0.267 8.162 456 H SER 894 H SER 894 8.361 2.390 8.138 457 HA SER 894 HA SER 894 10.678 2.359 8.193 458 1HB SER 894 1HB SER 894 10.384 -0.458 7.076 459 2HB SER 894 2HB SER 894 11.916 0.300 7.573 460 HG SER 894 HG SER 894 11.387 0.057 9.600 461 H ARG 895 H ARG 895 12.490 2.454 6.554 462 HA ARG 895 HA ARG 895 11.538 2.527 3.758 463 1HB ARG 895 1HB ARG 895 12.566 4.822 3.520 464 2HB ARG 895 2HB ARG 895 11.085 4.776 4.506 465 1HG ARG 895 1HG ARG 895 12.313 4.932 6.545 466 2HG ARG 895 2HG ARG 895 13.852 4.549 5.738 467 1HD ARG 895 1HD ARG 895 12.791 6.805 4.386 468 2HD ARG 895 2HD ARG 895 12.573 7.126 6.120 469 HE ARG 895 HE ARG 895 15.209 6.112 5.613 470 1HH1 ARG 895 2HH2 ARG 895 13.169 8.977 5.250 471 2HH1 ARG 895 1HH2 ARG 895 14.506 10.104 5.310 472 1HH2 ARG 895 2HH1 ARG 895 16.974 7.601 5.693 473 2HH2 ARG 895 1HH1 ARG 895 16.675 9.319 5.563 474 H ASP 896 H ASP 896 14.129 2.633 6.182 475 HA ASP 896 HA ASP 896 16.490 2.811 5.212 476 1HB ASP 896 1HB ASP 896 16.437 1.472 7.113 477 2HB ASP 896 2HB ASP 896 15.286 0.321 6.399 478 H LYS 897 H LYS 897 15.133 -0.392 4.322 479 HA LYS 897 HA LYS 897 16.674 -1.105 2.260 480 1HB LYS 897 1HB LYS 897 14.056 -1.468 1.226 481 2HB LYS 897 2HB LYS 897 15.035 -2.634 2.149 482 1HG LYS 897 1HG LYS 897 13.073 -2.429 3.446 483 2HG LYS 897 2HG LYS 897 14.208 -1.316 4.247 484 1HD LYS 897 1HD LYS 897 13.228 0.496 2.663 485 2HD LYS 897 2HD LYS 897 11.903 -0.660 2.390 486 1HE LYS 897 1HE LYS 897 12.059 -0.763 5.099 487 2HE LYS 897 2HE LYS 897 12.609 0.905 4.830 488 1HZ LYS 897 1HZ LYS 897 10.632 1.450 3.850 489 2HZ LYS 897 2HZ LYS 897 10.200 -0.111 3.538 490 3HZ LYS 897 3HZ LYS 897 10.152 0.465 5.083 491 H ASN 898 H ASN 898 14.315 1.553 2.170 492 HA ASN 898 HA ASN 898 15.675 2.672 -0.152 493 1HB ASN 898 1HB ASN 898 13.465 0.957 -0.575 494 2HB ASN 898 2HB ASN 898 12.847 2.611 -0.779 495 1HD2 ASN 898 1HD2 ASN 898 12.681 2.804 -2.977 496 2HD2 ASN 898 2HD2 ASN 898 14.017 2.595 -4.089 497 HA PRO 899 HA PRO 899 14.149 5.855 2.701 498 1HB PRO 899 1HB PRO 899 16.176 7.620 2.258 499 2HB PRO 899 2HB PRO 899 16.406 6.147 3.254 500 1HG PRO 899 1HG PRO 899 17.052 6.496 0.313 501 2HG PRO 899 2HG PRO 899 18.141 5.885 1.601 502 1HD PRO 899 1HD PRO 899 16.736 4.182 0.003 503 2HD PRO 899 2HD PRO 899 16.927 3.838 1.749 504 H ALA 900 H ALA 900 14.639 5.594 -0.696 505 HA ALA 900 HA ALA 900 13.644 8.297 -1.281 506 1HB ALA 900 1HB ALA 900 13.762 7.291 -3.680 507 2HB ALA 900 2HB ALA 900 15.285 7.598 -2.813 508 3HB ALA 900 3HB ALA 900 14.632 5.945 -2.905 509 H ALA 901 H ALA 901 12.283 5.469 -0.221 510 HA ALA 901 HA ALA 901 9.911 5.613 -1.976 511 1HB ALA 901 1HB ALA 901 10.632 3.731 0.306 512 2HB ALA 901 2HB ALA 901 9.223 3.574 -0.770 513 3HB ALA 901 3HB ALA 901 10.869 3.404 -1.427 514 H GLN 902 H GLN 902 8.106 4.656 0.117 515 HA GLN 902 HA GLN 902 7.904 7.116 1.787 516 1HB GLN 902 1HB GLN 902 5.891 5.781 -0.008 517 2HB GLN 902 2HB GLN 902 5.331 6.592 1.474 518 1HG GLN 902 1HG GLN 902 6.991 7.824 -0.763 519 2HG GLN 902 2HG GLN 902 5.291 8.177 -0.387 520 1HE2 GLN 902 1HE2 GLN 902 5.873 7.947 2.576 521 2HE2 GLN 902 2HE2 GLN 902 6.649 9.458 3.000 522 H GLN 903 H GLN 903 7.536 6.767 3.919 523 HA GLN 903 HA GLN 903 7.413 3.968 4.809 524 1HB GLN 903 1HB GLN 903 7.880 6.640 6.162 525 2HB GLN 903 2HB GLN 903 7.635 5.141 7.090 526 1HG GLN 903 1HG GLN 903 9.771 4.542 6.728 527 2HG GLN 903 2HG GLN 903 9.507 4.613 4.972 528 1HE2 GLN 903 1HE2 GLN 903 9.983 6.559 3.818 529 2HE2 GLN 903 2HE2 GLN 903 11.023 7.788 4.506 530 H VAL 904 H VAL 904 5.132 4.075 3.661 531 HA VAL 904 HA VAL 904 3.064 5.320 5.315 532 HB VAL 904 HB VAL 904 1.787 5.081 3.468 533 1HG1 VAL 904 1HG1 VAL 904 4.284 5.454 2.656 534 2HG1 VAL 904 2HG1 VAL 904 4.090 3.815 1.991 535 3HG1 VAL 904 3HG1 VAL 904 2.996 5.120 1.474 536 1HG2 VAL 904 1HG2 VAL 904 1.187 2.809 3.881 537 2HG2 VAL 904 2HG2 VAL 904 1.756 2.841 2.195 538 3HG2 VAL 904 3HG2 VAL 904 2.821 2.225 3.481 539 H SER 905 H SER 905 1.114 3.849 5.883 540 HA SER 905 HA SER 905 2.112 1.239 6.910 541 1HB SER 905 1HB SER 905 1.579 3.493 8.472 542 2HB SER 905 2HB SER 905 0.096 2.517 8.604 543 HG SER 905 HG SER 905 2.756 1.617 9.037 544 HA PRO 906 HA PRO 906 -1.801 -0.503 5.823 545 1HB PRO 906 1HB PRO 906 -3.115 -1.341 8.058 546 2HB PRO 906 2HB PRO 906 -1.532 -2.034 7.575 547 1HG PRO 906 1HG PRO 906 -2.031 0.199 9.564 548 2HG PRO 906 2HG PRO 906 -1.068 -1.292 9.822 549 1HD PRO 906 1HD PRO 906 0.112 1.054 9.092 550 2HD PRO 906 2HD PRO 906 0.667 -0.497 8.392 551 H GLU 907 H GLU 907 -1.983 2.089 8.223 552 HA GLU 907 HA GLU 907 -4.809 2.581 7.891 553 1HB GLU 907 1HB GLU 907 -2.474 3.988 9.174 554 2HB GLU 907 2HB GLU 907 -4.004 4.864 8.932 555 1HG GLU 907 1HG GLU 907 -3.877 3.736 11.159 556 2HG GLU 907 2HG GLU 907 -5.230 3.154 10.166 557 H TRP 908 H TRP 908 -1.846 3.550 6.241 558 HA TRP 908 HA TRP 908 -2.948 5.832 4.895 559 1HB TRP 908 1HB TRP 908 -0.544 5.448 5.182 560 2HB TRP 908 2HB TRP 908 -0.645 3.988 4.188 561 HD1 TRP 908 HD TRP 908 -0.877 7.805 3.920 562 HE1 TRP 908 1HE TRP 908 -0.374 8.532 1.531 563 HE3 TRP 908 3HE TRP 908 -0.594 3.195 1.714 564 HZ2 TRP 908 2HZ TRP 908 0.094 7.275 -1.033 565 HZ3 TRP 908 3HZ TRP 908 -0.119 3.000 -0.699 566 HH2 TRP 908 HH TRP 908 0.226 5.025 -2.084 567 H ILE 909 H ILE 909 -2.501 2.381 3.985 568 HA ILE 909 HA ILE 909 -3.447 2.513 1.360 569 HB ILE 909 HB ILE 909 -3.316 0.430 3.504 570 1HG1 ILE 909 1HG1 ILE 909 -2.511 -0.413 0.884 571 2HG1 ILE 909 2HG1 ILE 909 -1.893 1.237 1.141 572 1HG2 ILE 909 1HG2 ILE 909 -4.342 -1.132 1.645 573 2HG2 ILE 909 2HG2 ILE 909 -5.427 -0.237 2.736 574 3HG2 ILE 909 3HG2 ILE 909 -5.128 0.364 1.088 575 1HD1 ILE 909 1HD1 ILE 909 -1.631 -0.794 3.355 576 2HD1 ILE 909 2HD1 ILE 909 -0.500 -0.854 1.982 577 3HD1 ILE 909 3HD1 ILE 909 -0.606 0.613 2.984 578 H TRP 910 H TRP 910 -5.325 1.880 4.379 579 HA TRP 910 HA TRP 910 -7.855 1.790 3.087 580 1HB TRP 910 1HB TRP 910 -7.386 2.753 5.908 581 2HB TRP 910 2HB TRP 910 -8.763 1.849 5.262 582 HD1 TRP 910 HD TRP 910 -6.116 1.308 7.516 583 HE1 TRP 910 1HE TRP 910 -5.348 -1.115 7.672 584 HE3 TRP 910 3HE TRP 910 -8.211 -0.482 3.202 585 HZ2 TRP 910 2HZ TRP 910 -5.604 -3.544 6.119 586 HZ3 TRP 910 3HZ TRP 910 -7.927 -2.852 2.575 587 HH2 TRP 910 HH TRP 910 -6.630 -4.392 4.018 588 H ALA 911 H ALA 911 -6.353 4.437 5.035 589 HA ALA 911 HA ALA 911 -8.295 6.383 4.538 590 1HB ALA 911 1HB ALA 911 -6.243 6.418 6.104 591 2HB ALA 911 2HB ALA 911 -5.328 6.981 4.685 592 3HB ALA 911 3HB ALA 911 -6.689 7.945 5.306 593 H CYS 912 H CYS 912 -5.596 5.258 2.521 594 HA CYS 912 HA CYS 912 -5.853 7.388 0.580 595 1HB CYS 912 1HB CYS 912 -4.499 4.661 0.490 596 2HB CYS 912 2HB CYS 912 -4.340 5.916 -0.764 597 HG CYS 912 HG CYS 912 -4.053 7.032 2.215 598 H ILE 913 H ILE 913 -6.279 3.844 0.085 599 HA ILE 913 HA ILE 913 -7.771 3.942 -2.224 600 HB ILE 913 HB ILE 913 -6.980 1.855 -1.268 601 1HG1 ILE 913 1HG1 ILE 913 -10.005 1.703 -1.135 602 2HG1 ILE 913 2HG1 ILE 913 -9.160 2.003 -2.673 603 1HG2 ILE 913 1HG2 ILE 913 -7.214 1.428 0.932 604 2HG2 ILE 913 2HG2 ILE 913 -8.164 2.923 1.107 605 3HG2 ILE 913 3HG2 ILE 913 -8.984 1.385 0.746 606 1HD1 ILE 913 1HD1 ILE 913 -8.352 -0.295 -0.870 607 2HD1 ILE 913 2HD1 ILE 913 -9.695 -0.464 -2.027 608 3HD1 ILE 913 3HD1 ILE 913 -8.057 -0.086 -2.613 609 H ARG 914 H ARG 914 -8.816 4.643 1.085 610 HA ARG 914 HA ARG 914 -11.641 4.649 0.441 611 1HB ARG 914 1HB ARG 914 -10.741 4.207 2.720 612 2HB ARG 914 2HB ARG 914 -10.137 5.880 2.785 613 1HG ARG 914 1HG ARG 914 -12.701 6.372 2.074 614 2HG ARG 914 2HG ARG 914 -12.938 4.847 2.960 615 1HD ARG 914 1HD ARG 914 -12.452 5.797 4.965 616 2HD ARG 914 2HD ARG 914 -11.104 6.741 4.294 617 HE ARG 914 HE ARG 914 -13.541 7.846 3.344 618 1HH1 ARG 914 2HH2 ARG 914 -11.697 7.436 6.332 619 2HH1 ARG 914 1HH2 ARG 914 -12.326 8.886 7.081 620 1HH2 ARG 914 2HH1 ARG 914 -14.373 9.762 4.333 621 2HH2 ARG 914 1HH1 ARG 914 -13.852 10.213 5.941 622 H LYS 915 H LYS 915 -8.971 6.964 0.386 623 HA LYS 915 HA LYS 915 -10.828 9.213 -0.041 624 1HB LYS 915 1HB LYS 915 -7.804 9.002 0.188 625 2HB LYS 915 2HB LYS 915 -8.675 10.523 -0.121 626 1HG LYS 915 1HG LYS 915 -9.445 8.755 2.212 627 2HG LYS 915 2HG LYS 915 -8.083 9.893 2.351 628 1HD LYS 915 1HD LYS 915 -9.527 11.770 1.776 629 2HD LYS 915 2HD LYS 915 -10.888 10.671 1.449 630 1HE LYS 915 1HE LYS 915 -11.250 11.536 3.651 631 2HE LYS 915 2HE LYS 915 -10.659 9.873 3.863 632 1HZ LYS 915 1HZ LYS 915 -9.536 12.264 4.764 633 2HZ LYS 915 2HZ LYS 915 -9.083 10.713 5.093 634 3HZ LYS 915 3HZ LYS 915 -8.458 11.494 3.781 635 H ARG 916 H ARG 916 -9.720 6.731 -1.886 636 HA ARG 916 HA ARG 916 -9.379 6.411 -4.129 637 1HB ARG 916 1HB ARG 916 -11.225 8.798 -4.013 638 2HB ARG 916 2HB ARG 916 -10.634 8.193 -5.579 639 1HG ARG 916 1HG ARG 916 -12.767 7.114 -5.037 640 2HG ARG 916 2HG ARG 916 -11.457 5.911 -4.967 641 1HD ARG 916 1HD ARG 916 -12.911 5.647 -3.020 642 2HD ARG 916 2HD ARG 916 -11.322 6.248 -2.500 643 HE ARG 916 HE ARG 916 -12.622 8.570 -2.741 644 1HH1 ARG 916 2HH2 ARG 916 -13.692 5.484 -1.386 645 2HH1 ARG 916 1HH2 ARG 916 -14.787 6.214 -0.233 646 1HH2 ARG 916 2HH1 ARG 916 -14.069 9.534 -1.219 647 2HH2 ARG 916 1HH1 ARG 916 -15.001 8.523 -0.138 648 H ARG 917 H ARG 917 -7.740 8.574 -2.440 649 HA ARG 917 HA ARG 917 -5.962 9.201 -4.681 650 1HB ARG 917 1HB ARG 917 -6.109 11.519 -4.595 651 2HB ARG 917 2HB ARG 917 -7.810 11.061 -4.338 652 1HG ARG 917 1HG ARG 917 -7.420 12.608 -2.607 653 2HG ARG 917 2HG ARG 917 -7.166 11.042 -1.800 654 1HD ARG 917 1HD ARG 917 -5.087 11.702 -1.255 655 2HD ARG 917 2HD ARG 917 -4.683 11.747 -2.985 656 HE ARG 917 HE ARG 917 -6.079 14.130 -2.068 657 1HH1 ARG 917 2HH2 ARG 917 -2.957 12.497 -2.361 658 2HH1 ARG 917 1HH2 ARG 917 -2.026 13.978 -2.343 659 1HH2 ARG 917 2HH1 ARG 917 -4.850 16.086 -2.044 660 2HH2 ARG 917 1HH1 ARG 917 -3.105 16.024 -2.163 661 H LEU 918 H LEU 918 -3.950 8.796 -3.989 662 HA LEU 918 HA LEU 918 -3.186 7.900 -1.537 663 1HB LEU 918 1HB LEU 918 -1.735 9.534 -3.621 664 2HB LEU 918 2HB LEU 918 -0.910 9.050 -2.119 665 HG LEU 918 HG LEU 918 -0.483 7.079 -3.147 666 1HD1 LEU 918 1HD1 LEU 918 -2.411 5.468 -3.254 667 2HD1 LEU 918 2HD1 LEU 918 -2.302 6.336 -1.703 668 3HD1 LEU 918 3HD1 LEU 918 -3.511 6.826 -2.914 669 1HD2 LEU 918 1HD2 LEU 918 -0.844 7.981 -5.351 670 2HD2 LEU 918 2HD2 LEU 918 -1.710 6.427 -5.283 671 3HD2 LEU 918 3HD2 LEU 918 -2.611 7.955 -5.137 672 H VAL 919 H VAL 919 -3.131 8.662 0.491 673 HA VAL 919 HA VAL 919 -3.455 11.586 0.869 674 HB VAL 919 HB VAL 919 -4.581 11.092 2.817 675 1HG1 VAL 919 1HG1 VAL 919 -5.336 8.422 2.271 676 2HG1 VAL 919 2HG1 VAL 919 -6.184 9.903 1.765 677 3HG1 VAL 919 3HG1 VAL 919 -4.983 9.152 0.686 678 1HG2 VAL 919 1HG2 VAL 919 -2.416 9.143 3.085 679 2HG2 VAL 919 2HG2 VAL 919 -3.359 9.967 4.350 680 3HG2 VAL 919 3HG2 VAL 919 -3.975 8.468 3.616 681 H ALA 920 H ALA 920 -2.517 11.608 3.576 682 HA ALA 920 HA ALA 920 0.303 11.970 3.065 683 1HB ALA 920 1HB ALA 920 -0.023 13.397 4.765 684 2HB ALA 920 2HB ALA 920 -1.652 12.733 5.041 685 3HB ALA 920 3HB ALA 920 -0.246 12.011 5.859 686 HA PRO 921 HA PRO 921 1.220 7.686 3.998 687 1HB PRO 921 1HB PRO 921 3.827 7.757 3.211 688 2HB PRO 921 2HB PRO 921 2.481 7.822 2.028 689 1HG PRO 921 1HG PRO 921 4.009 10.162 3.203 690 2HG PRO 921 2HG PRO 921 3.710 9.819 1.468 691 1HD PRO 921 1HD PRO 921 2.114 11.522 2.876 692 2HD PRO 921 2HD PRO 921 1.405 10.390 1.685 693 H CYS 922 H CYS 922 1.746 6.904 5.968 694 HA CYS 922 HA CYS 922 4.021 7.778 7.463 695 1HB CYS 922 1HB CYS 922 2.236 9.696 7.691 696 2HB CYS 922 2HB CYS 922 1.431 8.558 8.801 697 HG CYS 922 HG CYS 922 4.628 8.699 9.074 Start of MODEL 5 1 H GLY 835 H GLY 835 -9.337 -0.853 11.407 2 1HA GLY 835 1HA GLY 835 -7.773 -2.636 9.668 3 2HA GLY 835 2HA GLY 835 -8.434 -3.358 11.152 4 H SER 836 H SER 836 -9.794 -0.845 8.965 5 HA SER 836 HA SER 836 -12.372 -2.173 8.981 6 1HB SER 836 1HB SER 836 -12.851 -0.310 7.257 7 2HB SER 836 2HB SER 836 -12.440 0.191 8.915 8 HG SER 836 HG SER 836 -11.033 1.348 7.826 9 H ALA 837 H ALA 837 -9.587 -3.045 7.531 10 HA ALA 837 HA ALA 837 -9.807 -3.314 4.853 11 1HB ALA 837 1HB ALA 837 -8.181 -4.428 6.560 12 2HB ALA 837 2HB ALA 837 -9.322 -5.793 6.513 13 3HB ALA 837 3HB ALA 837 -8.507 -5.263 5.022 14 H ASP 838 H ASP 838 -11.181 -5.904 6.956 15 HA ASP 838 HA ASP 838 -12.719 -7.182 5.064 16 1HB ASP 838 1HB ASP 838 -12.426 -7.961 7.375 17 2HB ASP 838 2HB ASP 838 -13.426 -6.618 7.968 18 H GLU 839 H GLU 839 -13.488 -4.189 6.860 19 HA GLU 839 HA GLU 839 -16.163 -4.015 5.744 20 1HB GLU 839 1HB GLU 839 -14.548 -2.666 7.743 21 2HB GLU 839 2HB GLU 839 -15.332 -1.481 6.672 22 1HG GLU 839 1HG GLU 839 -17.161 -3.646 7.332 23 2HG GLU 839 2HG GLU 839 -16.517 -2.898 8.809 24 H THR 840 H THR 840 -12.918 -2.985 4.856 25 HA THR 840 HA THR 840 -13.841 -1.016 2.921 26 HB THR 840 HB THR 840 -11.100 -2.293 3.003 27 HG1 THR 840 1HG THR 840 -10.718 -0.499 4.537 28 1HG2 THR 840 1HG2 THR 840 -11.724 -0.655 1.206 29 2HG2 THR 840 2HG2 THR 840 -12.066 0.548 2.472 30 3HG2 THR 840 3HG2 THR 840 -10.411 -0.070 2.257 31 H LEU 841 H LEU 841 -12.357 -4.298 2.784 32 HA LEU 841 HA LEU 841 -12.544 -4.526 -0.054 33 1HB LEU 841 1HB LEU 841 -12.149 -6.420 2.258 34 2HB LEU 841 2HB LEU 841 -12.435 -7.066 0.624 35 HG LEU 841 HG LEU 841 -9.966 -6.428 1.539 36 1HD1 LEU 841 1HD1 LEU 841 -10.196 -5.617 -1.259 37 2HD1 LEU 841 2HD1 LEU 841 -9.437 -7.068 -0.562 38 3HD1 LEU 841 3HD1 LEU 841 -11.182 -7.059 -0.917 39 1HD2 LEU 841 1HD2 LEU 841 -9.759 -4.136 0.008 40 2HD2 LEU 841 2HD2 LEU 841 -11.317 -3.894 0.835 41 3HD2 LEU 841 3HD2 LEU 841 -9.838 -4.171 1.786 42 H CYS 842 H CYS 842 -14.972 -4.228 2.202 43 HA CYS 842 HA CYS 842 -16.849 -6.209 1.591 44 1HB CYS 842 1HB CYS 842 -17.015 -4.424 3.368 45 2HB CYS 842 2HB CYS 842 -17.435 -3.264 2.084 46 HG CYS 842 HG CYS 842 -19.102 -5.482 3.618 47 H GLN 843 H GLN 843 -15.388 -4.010 -0.525 48 HA GLN 843 HA GLN 843 -17.683 -4.221 -2.417 49 1HB GLN 843 1HB GLN 843 -15.460 -2.189 -2.646 50 2HB GLN 843 2HB GLN 843 -17.114 -2.125 -3.299 51 1HG GLN 843 1HG GLN 843 -17.174 -2.413 -0.408 52 2HG GLN 843 2HG GLN 843 -16.180 -1.013 -0.868 53 1HE2 GLN 843 1HE2 GLN 843 -19.205 -1.797 0.059 54 2HE2 GLN 843 2HE2 GLN 843 -20.139 -0.610 -0.827 55 H THR 844 H THR 844 -16.695 -6.449 -2.744 56 HA THR 844 HA THR 844 -15.565 -7.869 -4.140 57 HB THR 844 HB THR 844 -15.936 -5.473 -5.620 58 HG1 THR 844 1HG THR 844 -15.712 -7.013 -7.346 59 1HG2 THR 844 1HG2 THR 844 -13.114 -6.545 -5.636 60 2HG2 THR 844 2HG2 THR 844 -13.821 -5.913 -7.142 61 3HG2 THR 844 3HG2 THR 844 -13.681 -4.859 -5.715 62 H LYS 845 H LYS 845 -13.432 -4.972 -4.329 63 HA LYS 845 HA LYS 845 -11.486 -6.233 -2.545 64 1HB LYS 845 1HB LYS 845 -11.346 -6.683 -5.350 65 2HB LYS 845 2HB LYS 845 -10.067 -5.512 -4.950 66 1HG LYS 845 1HG LYS 845 -9.034 -7.608 -4.587 67 2HG LYS 845 2HG LYS 845 -9.536 -7.101 -2.956 68 1HD LYS 845 1HD LYS 845 -11.695 -8.509 -4.317 69 2HD LYS 845 2HD LYS 845 -10.219 -9.503 -4.270 70 1HE LYS 845 1HE LYS 845 -10.135 -8.613 -1.754 71 2HE LYS 845 2HE LYS 845 -11.884 -8.430 -2.010 72 1HZ LYS 845 1HZ LYS 845 -12.111 -10.667 -2.375 73 2HZ LYS 845 2HZ LYS 845 -10.508 -10.917 -2.672 74 3HZ LYS 845 3HZ LYS 845 -11.024 -10.612 -1.135 75 H VAL 846 H VAL 846 -13.137 -3.621 -3.713 76 HA VAL 846 HA VAL 846 -12.756 -1.340 -3.764 77 HB VAL 846 HB VAL 846 -11.495 -0.705 -1.501 78 1HG1 VAL 846 1HG1 VAL 846 -14.107 -2.197 -1.221 79 2HG1 VAL 846 2HG1 VAL 846 -13.610 -0.651 -0.491 80 3HG1 VAL 846 3HG1 VAL 846 -14.030 -0.726 -2.219 81 1HG2 VAL 846 1HG2 VAL 846 -12.488 -3.202 -0.379 82 2HG2 VAL 846 2HG2 VAL 846 -11.205 -3.515 -1.572 83 3HG2 VAL 846 3HG2 VAL 846 -10.891 -2.439 -0.189 84 H LEU 847 H LEU 847 -11.449 -0.151 -5.013 85 HA LEU 847 HA LEU 847 -8.556 -0.175 -4.521 86 1HB LEU 847 1HB LEU 847 -9.562 -0.746 -7.319 87 2HB LEU 847 2HB LEU 847 -7.911 -0.906 -6.673 88 HG LEU 847 HG LEU 847 -9.164 -3.100 -6.965 89 1HD1 LEU 847 1HD1 LEU 847 -7.598 -3.693 -5.452 90 2HD1 LEU 847 2HD1 LEU 847 -7.663 -2.088 -4.685 91 3HD1 LEU 847 3HD1 LEU 847 -8.793 -3.364 -4.174 92 1HD2 LEU 847 1HD2 LEU 847 -11.181 -1.629 -5.619 93 2HD2 LEU 847 2HD2 LEU 847 -11.222 -3.349 -6.076 94 3HD2 LEU 847 3HD2 LEU 847 -10.629 -2.868 -4.468 95 H LEU 848 H LEU 848 -9.712 1.956 -3.810 96 HA LEU 848 HA LEU 848 -10.538 3.764 -5.893 97 1HB LEU 848 1HB LEU 848 -10.077 3.822 -2.958 98 2HB LEU 848 2HB LEU 848 -9.865 5.375 -3.802 99 HG LEU 848 HG LEU 848 -12.283 3.611 -4.299 100 1HD1 LEU 848 1HD1 LEU 848 -13.013 5.793 -2.645 101 2HD1 LEU 848 2HD1 LEU 848 -13.026 4.065 -2.219 102 3HD1 LEU 848 3HD1 LEU 848 -11.587 5.055 -1.876 103 1HD2 LEU 848 1HD2 LEU 848 -12.768 5.260 -5.755 104 2HD2 LEU 848 2HD2 LEU 848 -12.752 6.437 -4.420 105 3HD2 LEU 848 3HD2 LEU 848 -11.256 6.094 -5.322 106 H ASP 849 H ASP 849 -9.255 6.102 -5.596 107 HA ASP 849 HA ASP 849 -6.590 5.484 -6.708 108 1HB ASP 849 1HB ASP 849 -8.232 8.042 -6.608 109 2HB ASP 849 2HB ASP 849 -6.656 7.868 -7.409 110 H ILE 850 H ILE 850 -6.376 4.849 -4.164 111 HA ILE 850 HA ILE 850 -5.716 7.171 -2.514 112 HB ILE 850 HB ILE 850 -4.749 4.786 -1.335 113 1HG1 ILE 850 1HG1 ILE 850 -6.080 3.704 -3.255 114 2HG1 ILE 850 2HG1 ILE 850 -6.502 3.188 -1.605 115 1HG2 ILE 850 1HG2 ILE 850 -6.768 6.855 -0.943 116 2HG2 ILE 850 2HG2 ILE 850 -7.362 5.271 -0.390 117 3HG2 ILE 850 3HG2 ILE 850 -5.848 5.934 0.270 118 1HD1 ILE 850 1HD1 ILE 850 -8.610 3.621 -2.539 119 2HD1 ILE 850 2HD1 ILE 850 -8.240 5.159 -1.722 120 3HD1 ILE 850 3HD1 ILE 850 -8.016 5.010 -3.482 121 H PHE 851 H PHE 851 -3.675 4.292 -2.565 122 HA PHE 851 HA PHE 851 -1.259 5.669 -2.443 123 1HB PHE 851 1HB PHE 851 -1.521 3.046 -3.904 124 2HB PHE 851 2HB PHE 851 -0.231 3.598 -2.822 125 HD1 PHE 851 1HD PHE 851 -2.540 1.171 -3.008 126 HD2 PHE 851 2HD PHE 851 -1.546 4.446 -0.413 127 HE1 PHE 851 1HE PHE 851 -3.633 0.002 -1.114 128 HE2 PHE 851 2HE PHE 851 -2.639 3.277 1.481 129 HZ PHE 851 HZ PHE 851 -3.682 1.055 1.131 130 H THR 852 H THR 852 -3.316 6.384 -4.718 131 HA THR 852 HA THR 852 -2.456 5.954 -7.245 132 HB THR 852 HB THR 852 -4.076 7.797 -6.051 133 HG1 THR 852 1HG THR 852 -3.016 7.906 -8.685 134 1HG2 THR 852 1HG2 THR 852 -1.697 9.292 -7.236 135 2HG2 THR 852 2HG2 THR 852 -3.245 10.035 -6.766 136 3HG2 THR 852 3HG2 THR 852 -2.198 9.299 -5.528 137 H GLY 853 H GLY 853 -0.392 5.638 -7.891 138 1HA GLY 853 1HA GLY 853 1.725 6.274 -8.565 139 2HA GLY 853 2HA GLY 853 1.408 7.909 -7.940 140 H VAL 854 H VAL 854 0.602 5.713 -5.538 141 HA VAL 854 HA VAL 854 3.063 6.341 -4.066 142 HB VAL 854 HB VAL 854 0.388 5.099 -3.364 143 1HG1 VAL 854 1HG1 VAL 854 2.403 3.986 -2.205 144 2HG1 VAL 854 2HG1 VAL 854 2.680 5.562 -1.426 145 3HG1 VAL 854 3HG1 VAL 854 1.157 4.685 -1.144 146 1HG2 VAL 854 1HG2 VAL 854 1.876 7.670 -2.798 147 2HG2 VAL 854 2HG2 VAL 854 0.209 7.442 -3.379 148 3HG2 VAL 854 3HG2 VAL 854 0.615 7.098 -1.680 149 H ARG 855 H ARG 855 4.779 5.073 -4.526 150 HA ARG 855 HA ARG 855 4.314 2.194 -5.037 151 1HB ARG 855 1HB ARG 855 6.409 2.187 -6.088 152 2HB ARG 855 2HB ARG 855 5.780 3.804 -6.485 153 1HG ARG 855 1HG ARG 855 6.975 4.560 -4.292 154 2HG ARG 855 2HG ARG 855 7.871 3.029 -4.435 155 1HD ARG 855 1HD ARG 855 8.979 5.044 -5.527 156 2HD ARG 855 2HD ARG 855 8.742 3.637 -6.586 157 HE ARG 855 HE ARG 855 6.916 4.787 -7.663 158 1HH1 ARG 855 2HH2 ARG 855 8.762 6.697 -5.330 159 2HH1 ARG 855 1HH2 ARG 855 8.226 8.238 -5.961 160 1HH2 ARG 855 2HH1 ARG 855 6.208 6.823 -8.497 161 2HH2 ARG 855 1HH1 ARG 855 6.770 8.310 -7.767 162 H LEU 856 H LEU 856 3.788 1.617 -2.847 163 HA LEU 856 HA LEU 856 5.996 1.941 -0.893 164 1HB LEU 856 1HB LEU 856 4.397 1.889 0.728 165 2HB LEU 856 2HB LEU 856 3.309 2.322 -0.612 166 HG LEU 856 HG LEU 856 2.720 -0.005 -0.969 167 1HD1 LEU 856 1HD1 LEU 856 3.778 -1.540 1.022 168 2HD1 LEU 856 2HD1 LEU 856 4.491 -1.410 -0.604 169 3HD1 LEU 856 3HD1 LEU 856 5.131 -0.421 0.730 170 1HD2 LEU 856 1HD2 LEU 856 1.377 -0.260 0.901 171 2HD2 LEU 856 2HD2 LEU 856 2.696 0.127 2.032 172 3HD2 LEU 856 3HD2 LEU 856 1.883 1.430 1.132 173 H TYR 857 H TYR 857 7.091 0.203 -0.037 174 HA TYR 857 HA TYR 857 6.976 -2.259 -1.590 175 1HB TYR 857 1HB TYR 857 9.146 -1.997 -1.057 176 2HB TYR 857 2HB TYR 857 8.778 -0.927 0.307 177 HD1 TYR 857 1HD TYR 857 7.983 -4.530 -0.427 178 HD2 TYR 857 2HD TYR 857 9.809 -1.693 2.230 179 HE1 TYR 857 1HE TYR 857 8.526 -6.362 1.155 180 HE2 TYR 857 2HE TYR 857 10.352 -3.524 3.812 181 HH TYR 857 HH TYR 857 10.159 -5.753 4.276 182 H LEU 858 H LEU 858 5.175 -3.473 -1.196 183 HA LEU 858 HA LEU 858 4.154 -3.776 1.522 184 1HB LEU 858 1HB LEU 858 2.680 -3.659 -0.492 185 2HB LEU 858 2HB LEU 858 3.377 -5.198 -1.054 186 HG LEU 858 HG LEU 858 2.186 -6.421 0.451 187 1HD1 LEU 858 1HD1 LEU 858 2.754 -4.139 2.379 188 2HD1 LEU 858 2HD1 LEU 858 1.758 -5.547 2.817 189 3HD1 LEU 858 3HD1 LEU 858 3.467 -5.770 2.373 190 1HD2 LEU 858 1HD2 LEU 858 0.039 -5.646 0.516 191 2HD2 LEU 858 2HD2 LEU 858 0.508 -4.123 1.308 192 3HD2 LEU 858 3HD2 LEU 858 0.696 -4.306 -0.453 193 HA PRO 859 HA PRO 859 7.011 -7.164 2.197 194 1HB PRO 859 1HB PRO 859 6.552 -7.413 4.871 195 2HB PRO 859 2HB PRO 859 7.459 -6.022 4.193 196 1HG PRO 859 1HG PRO 859 4.509 -6.133 4.883 197 2HG PRO 859 2HG PRO 859 5.705 -4.905 5.412 198 1HD PRO 859 1HD PRO 859 4.098 -4.485 3.250 199 2HD PRO 859 2HD PRO 859 5.812 -3.969 3.221 200 HA PRO 860 HA PRO 860 4.111 -10.479 1.864 201 1HB PRO 860 1HB PRO 860 5.760 -12.599 2.324 202 2HB PRO 860 2HB PRO 860 5.938 -11.560 0.872 203 1HG PRO 860 1HG PRO 860 7.453 -11.336 3.488 204 2HG PRO 860 2HG PRO 860 8.143 -11.422 1.835 205 1HD PRO 860 1HD PRO 860 7.742 -9.033 3.086 206 2HD PRO 860 2HD PRO 860 7.399 -9.212 1.338 207 H SER 861 H SER 861 5.978 -9.761 4.739 208 HA SER 861 HA SER 861 4.593 -11.719 6.405 209 1HB SER 861 1HB SER 861 6.921 -10.031 6.576 210 2HB SER 861 2HB SER 861 5.861 -9.704 7.968 211 HG SER 861 HG SER 861 7.395 -11.854 7.462 212 H THR 862 H THR 862 3.998 -8.553 5.171 213 HA THR 862 HA THR 862 2.513 -7.434 7.315 214 HB THR 862 HB THR 862 3.030 -6.903 4.494 215 HG1 THR 862 1HG THR 862 2.802 -4.790 5.314 216 1HG2 THR 862 1HG2 THR 862 0.275 -6.177 5.579 217 2HG2 THR 862 2HG2 THR 862 0.949 -5.717 3.997 218 3HG2 THR 862 3HG2 THR 862 0.581 -7.424 4.346 219 HA PRO 863 HA PRO 863 -1.124 -9.913 7.318 220 1HB PRO 863 1HB PRO 863 -2.818 -8.247 8.652 221 2HB PRO 863 2HB PRO 863 -1.381 -8.969 9.447 222 1HG PRO 863 1HG PRO 863 -1.593 -6.226 8.172 223 2HG PRO 863 2HG PRO 863 -1.008 -6.617 9.822 224 1HD PRO 863 1HD PRO 863 0.722 -6.283 7.743 225 2HD PRO 863 2HD PRO 863 1.000 -7.569 8.957 226 H ASP 864 H ASP 864 -2.882 -10.222 5.984 227 HA ASP 864 HA ASP 864 -4.431 -9.805 4.346 228 1HB ASP 864 1HB ASP 864 -4.210 -7.298 5.785 229 2HB ASP 864 2HB ASP 864 -4.476 -6.995 4.054 230 H PHE 865 H PHE 865 -1.364 -9.764 4.034 231 HA PHE 865 HA PHE 865 -0.541 -8.051 2.001 232 1HB PHE 865 1HB PHE 865 0.794 -9.778 3.307 233 2HB PHE 865 2HB PHE 865 0.162 -10.993 2.183 234 HD1 PHE 865 1HD PHE 865 1.786 -7.600 2.030 235 HD2 PHE 865 2HD PHE 865 1.517 -11.567 0.405 236 HE1 PHE 865 1HE PHE 865 3.604 -7.068 0.430 237 HE2 PHE 865 2HE PHE 865 3.336 -11.035 -1.195 238 HZ PHE 865 HZ PHE 865 4.380 -8.785 -1.183 239 H SER 866 H SER 866 -2.224 -11.219 1.716 240 HA SER 866 HA SER 866 -2.312 -11.841 -0.848 241 1HB SER 866 1HB SER 866 -3.840 -12.854 0.742 242 2HB SER 866 2HB SER 866 -4.769 -11.341 0.875 243 HG SER 866 HG SER 866 -5.730 -11.781 -0.938 244 H ARG 867 H ARG 867 -4.946 -9.593 0.070 245 HA ARG 867 HA ARG 867 -5.051 -8.498 -2.587 246 1HB ARG 867 1HB ARG 867 -6.259 -7.328 -0.059 247 2HB ARG 867 2HB ARG 867 -6.836 -7.155 -1.734 248 1HG ARG 867 1HG ARG 867 -7.985 -9.098 -1.620 249 2HG ARG 867 2HG ARG 867 -6.570 -9.967 -0.980 250 1HD ARG 867 1HD ARG 867 -7.292 -8.414 1.174 251 2HD ARG 867 2HD ARG 867 -8.873 -8.770 0.447 252 HE ARG 867 HE ARG 867 -7.358 -11.174 0.574 253 1HH1 ARG 867 2HH2 ARG 867 -8.973 -8.821 2.661 254 2HH1 ARG 867 1HH2 ARG 867 -9.323 -9.978 3.926 255 1HH2 ARG 867 2HH1 ARG 867 -7.819 -12.702 2.245 256 2HH2 ARG 867 1HH1 ARG 867 -8.664 -12.191 3.689 257 H LEU 868 H LEU 868 -3.714 -7.415 0.552 258 HA LEU 868 HA LEU 868 -3.111 -4.820 0.238 259 1HB LEU 868 1HB LEU 868 -1.622 -7.145 1.339 260 2HB LEU 868 2HB LEU 868 -0.654 -5.683 1.035 261 HG LEU 868 HG LEU 868 -2.758 -6.175 3.055 262 1HD1 LEU 868 1HD1 LEU 868 -0.970 -5.410 4.206 263 2HD1 LEU 868 2HD1 LEU 868 -0.182 -4.835 2.717 264 3HD1 LEU 868 3HD1 LEU 868 -1.352 -3.794 3.563 265 1HD2 LEU 868 1HD2 LEU 868 -4.009 -4.740 1.456 266 2HD2 LEU 868 2HD2 LEU 868 -3.648 -3.877 2.970 267 3HD2 LEU 868 3HD2 LEU 868 -2.688 -3.549 1.508 268 H ARG 869 H ARG 869 -1.229 -7.461 -1.337 269 HA ARG 869 HA ARG 869 0.499 -5.710 -2.776 270 1HB ARG 869 1HB ARG 869 0.831 -8.181 -2.299 271 2HB ARG 869 2HB ARG 869 -0.368 -8.511 -3.574 272 1HG ARG 869 1HG ARG 869 1.309 -8.365 -5.077 273 2HG ARG 869 2HG ARG 869 1.416 -6.630 -4.695 274 1HD ARG 869 1HD ARG 869 3.607 -7.495 -4.329 275 2HD ARG 869 2HD ARG 869 2.893 -7.307 -2.712 276 HE ARG 869 HE ARG 869 2.259 -9.872 -3.250 277 1HH1 ARG 869 2HH2 ARG 869 5.263 -8.055 -3.671 278 2HH1 ARG 869 1HH2 ARG 869 6.298 -9.446 -3.431 279 1HH2 ARG 869 2HH1 ARG 869 3.626 -11.708 -2.934 280 2HH2 ARG 869 1HH1 ARG 869 5.364 -11.528 -3.011 281 H ARG 870 H ARG 870 -1.649 -7.950 -4.517 282 HA ARG 870 HA ARG 870 -1.951 -6.567 -6.832 283 1HB ARG 870 1HB ARG 870 -2.974 -8.813 -6.115 284 2HB ARG 870 2HB ARG 870 -4.334 -7.860 -5.472 285 1HG ARG 870 1HG ARG 870 -4.480 -6.757 -7.774 286 2HG ARG 870 2HG ARG 870 -3.346 -8.004 -8.346 287 1HD ARG 870 1HD ARG 870 -4.947 -9.604 -8.358 288 2HD ARG 870 2HD ARG 870 -5.565 -9.112 -6.766 289 HE ARG 870 HE ARG 870 -7.157 -7.763 -7.802 290 1HH1 ARG 870 2HH2 ARG 870 -4.763 -8.929 -10.129 291 2HH1 ARG 870 1HH2 ARG 870 -5.664 -8.395 -11.530 292 1HH2 ARG 870 2HH1 ARG 870 -8.346 -7.058 -9.654 293 2HH2 ARG 870 1HH1 ARG 870 -7.707 -7.329 -11.259 294 H TYR 871 H TYR 871 -4.169 -6.185 -4.004 295 HA TYR 871 HA TYR 871 -5.833 -4.220 -4.905 296 1HB TYR 871 1HB TYR 871 -5.732 -5.297 -2.614 297 2HB TYR 871 2HB TYR 871 -4.465 -4.130 -2.200 298 HD1 TYR 871 1HD TYR 871 -7.686 -3.761 -4.099 299 HD2 TYR 871 2HD TYR 871 -5.341 -2.601 -0.692 300 HE1 TYR 871 1HE TYR 871 -9.419 -2.102 -3.471 301 HE2 TYR 871 2HE TYR 871 -7.075 -0.942 -0.064 302 HH TYR 871 HH TYR 871 -9.843 -0.780 -0.632 303 H PHE 872 H PHE 872 -2.778 -3.452 -3.132 304 HA PHE 872 HA PHE 872 -2.731 -0.725 -3.614 305 1HB PHE 872 1HB PHE 872 -1.155 -2.220 -2.237 306 2HB PHE 872 2HB PHE 872 -0.264 -2.470 -3.748 307 HD1 PHE 872 1HD PHE 872 0.590 -0.381 -4.990 308 HD2 PHE 872 2HD PHE 872 -0.744 -0.334 -0.907 309 HE1 PHE 872 1HE PHE 872 1.830 1.732 -4.610 310 HE2 PHE 872 2HE PHE 872 0.496 1.780 -0.527 311 HZ PHE 872 HZ PHE 872 1.783 2.813 -2.378 312 H VAL 873 H VAL 873 -0.171 -2.441 -5.316 313 HA VAL 873 HA VAL 873 0.192 -0.873 -7.448 314 HB VAL 873 HB VAL 873 1.546 -2.675 -7.701 315 1HG1 VAL 873 1HG1 VAL 873 0.911 -3.971 -5.859 316 2HG1 VAL 873 2HG1 VAL 873 -0.765 -4.146 -6.431 317 3HG1 VAL 873 3HG1 VAL 873 0.543 -5.066 -7.212 318 1HG2 VAL 873 1HG2 VAL 873 0.120 -2.583 -9.801 319 2HG2 VAL 873 2HG2 VAL 873 0.862 -4.168 -9.475 320 3HG2 VAL 873 3HG2 VAL 873 -0.859 -3.899 -9.111 321 H ALA 874 H ALA 874 -2.605 -3.027 -6.998 322 HA ALA 874 HA ALA 874 -3.697 -2.870 -9.588 323 1HB ALA 874 1HB ALA 874 -4.670 -4.433 -8.122 324 2HB ALA 874 2HB ALA 874 -4.859 -3.234 -6.819 325 3HB ALA 874 3HB ALA 874 -5.911 -3.164 -8.254 326 H PHE 875 H PHE 875 -4.325 -0.795 -6.702 327 HA PHE 875 HA PHE 875 -6.179 0.952 -7.701 328 1HB PHE 875 1HB PHE 875 -3.691 1.728 -6.143 329 2HB PHE 875 2HB PHE 875 -5.211 2.636 -6.220 330 HD1 PHE 875 1HD PHE 875 -4.552 2.281 -3.600 331 HD2 PHE 875 2HD PHE 875 -6.144 -0.713 -6.236 332 HE1 PHE 875 1HE PHE 875 -5.404 1.013 -1.646 333 HE2 PHE 875 2HE PHE 875 -6.996 -1.981 -4.282 334 HZ PHE 875 HZ PHE 875 -6.626 -1.118 -1.987 335 H ASP 876 H ASP 876 -2.633 1.053 -8.287 336 HA ASP 876 HA ASP 876 -2.404 1.701 -10.832 337 1HB ASP 876 1HB ASP 876 -3.895 3.894 -9.504 338 2HB ASP 876 2HB ASP 876 -2.557 4.413 -10.553 339 H GLY 877 H GLY 877 -1.326 1.688 -7.760 340 1HA GLY 877 1HA GLY 877 0.953 3.511 -8.101 341 2HA GLY 877 2HA GLY 877 0.577 2.515 -6.676 342 H ASP 878 H ASP 878 2.532 1.468 -6.414 343 HA ASP 878 HA ASP 878 3.083 -0.691 -8.289 344 1HB ASP 878 1HB ASP 878 4.645 1.819 -8.282 345 2HB ASP 878 2HB ASP 878 5.622 0.344 -8.119 346 H LEU 879 H LEU 879 4.771 -2.154 -7.436 347 HA LEU 879 HA LEU 879 5.297 -1.747 -4.539 348 1HB LEU 879 1HB LEU 879 3.678 -3.846 -5.858 349 2HB LEU 879 2HB LEU 879 4.904 -4.456 -4.721 350 HG LEU 879 HG LEU 879 3.993 -3.253 -2.904 351 1HD1 LEU 879 1HD1 LEU 879 2.647 -1.586 -5.057 352 2HD1 LEU 879 2HD1 LEU 879 2.135 -1.520 -3.354 353 3HD1 LEU 879 3HD1 LEU 879 3.793 -1.054 -3.803 354 1HD2 LEU 879 1HD2 LEU 879 2.339 -4.810 -2.953 355 2HD2 LEU 879 2HD2 LEU 879 1.314 -3.492 -3.571 356 3HD2 LEU 879 3HD2 LEU 879 2.095 -4.619 -4.706 357 H VAL 880 H VAL 880 7.359 -2.187 -3.972 358 HA VAL 880 HA VAL 880 9.031 -3.609 -5.991 359 HB VAL 880 HB VAL 880 10.481 -1.949 -4.072 360 1HG1 VAL 880 1HG1 VAL 880 11.201 -2.949 -6.328 361 2HG1 VAL 880 2HG1 VAL 880 10.228 -1.666 -7.087 362 3HG1 VAL 880 3HG1 VAL 880 11.614 -1.240 -6.054 363 1HG2 VAL 880 1HG2 VAL 880 9.612 0.155 -5.483 364 2HG2 VAL 880 2HG2 VAL 880 8.121 -0.816 -5.545 365 3HG2 VAL 880 3HG2 VAL 880 8.812 -0.346 -3.974 366 H GLN 881 H GLN 881 10.395 -5.233 -5.282 367 HA GLN 881 HA GLN 881 9.661 -6.555 -2.846 368 1HB GLN 881 1HB GLN 881 12.142 -7.019 -4.537 369 2HB GLN 881 2HB GLN 881 11.300 -8.186 -3.489 370 1HG GLN 881 1HG GLN 881 9.731 -8.642 -5.064 371 2HG GLN 881 2HG GLN 881 9.552 -6.930 -5.507 372 1HE2 GLN 881 1HE2 GLN 881 10.766 -6.057 -7.205 373 2HE2 GLN 881 2HE2 GLN 881 11.740 -7.044 -8.274 374 H GLU 882 H GLU 882 10.535 -6.471 -0.836 375 HA GLU 882 HA GLU 882 11.773 -4.439 0.322 376 1HB GLU 882 1HB GLU 882 11.232 -6.613 1.424 377 2HB GLU 882 2HB GLU 882 12.723 -7.301 0.737 378 1HG GLU 882 1HG GLU 882 13.768 -5.082 1.848 379 2HG GLU 882 2HG GLU 882 12.369 -5.287 2.925 380 H PHE 883 H PHE 883 13.909 -7.112 -0.821 381 HA PHE 883 HA PHE 883 16.232 -5.452 -0.832 382 1HB PHE 883 1HB PHE 883 17.322 -7.336 -1.831 383 2HB PHE 883 2HB PHE 883 16.169 -7.951 -0.634 384 HD1 PHE 883 1HD PHE 883 17.045 -7.773 -4.186 385 HD2 PHE 883 2HD PHE 883 14.088 -9.068 -1.352 386 HE1 PHE 883 1HE PHE 883 16.009 -9.207 -5.923 387 HE2 PHE 883 2HE PHE 883 13.052 -10.503 -3.090 388 HZ PHE 883 HZ PHE 883 14.012 -10.573 -5.375 389 H ASP 884 H ASP 884 13.631 -4.864 -2.565 390 HA ASP 884 HA ASP 884 15.205 -3.888 -4.875 391 1HB ASP 884 1HB ASP 884 12.625 -5.489 -5.025 392 2HB ASP 884 2HB ASP 884 13.336 -4.594 -6.386 393 H MET 885 H MET 885 15.052 -1.820 -3.855 394 HA MET 885 HA MET 885 12.413 -0.561 -4.297 395 1HB MET 885 1HB MET 885 13.099 0.702 -2.019 396 2HB MET 885 2HB MET 885 12.089 -0.763 -2.034 397 1HG MET 885 1HG MET 885 14.288 -2.080 -1.898 398 2HG MET 885 2HG MET 885 15.065 -0.536 -1.508 399 1HE MET 885 1HE MET 885 12.275 -3.163 0.889 400 2HE MET 885 2HE MET 885 11.352 -1.832 0.151 401 3HE MET 885 3HE MET 885 12.326 -2.915 -0.873 402 H THR 886 H THR 886 15.918 -0.348 -3.740 403 HA THR 886 HA THR 886 16.872 2.015 -3.773 404 HB THR 886 HB THR 886 18.418 1.532 -5.472 405 HG1 THR 886 1HG THR 886 17.750 0.069 -7.207 406 1HG2 THR 886 1HG2 THR 886 18.925 -0.777 -5.190 407 2HG2 THR 886 2HG2 THR 886 18.029 -0.328 -3.719 408 3HG2 THR 886 3HG2 THR 886 17.208 -1.216 -5.025 409 H SER 887 H SER 887 14.867 1.044 -6.609 410 HA SER 887 HA SER 887 14.594 3.904 -7.318 411 1HB SER 887 1HB SER 887 14.482 1.315 -8.729 412 2HB SER 887 2HB SER 887 13.188 2.447 -9.193 413 HG SER 887 HG SER 887 15.256 2.638 -10.341 414 H ALA 888 H ALA 888 13.008 1.432 -5.566 415 HA ALA 888 HA ALA 888 10.314 1.741 -6.081 416 1HB ALA 888 1HB ALA 888 10.100 1.418 -3.510 417 2HB ALA 888 2HB ALA 888 10.920 0.151 -4.454 418 3HB ALA 888 3HB ALA 888 11.878 1.328 -3.525 419 H THR 889 H THR 889 8.813 2.867 -4.237 420 HA THR 889 HA THR 889 9.733 5.686 -3.986 421 HB THR 889 HB THR 889 7.947 4.917 -5.890 422 HG1 THR 889 1HG THR 889 7.916 6.999 -6.092 423 1HG2 THR 889 1HG2 THR 889 5.719 5.088 -5.162 424 2HG2 THR 889 2HG2 THR 889 6.483 4.171 -3.842 425 3HG2 THR 889 3HG2 THR 889 6.173 5.914 -3.652 426 H HIS 890 H HIS 890 7.492 3.093 -2.946 427 HA HIS 890 HA HIS 890 7.411 4.418 -0.276 428 1HB HIS 890 1HB HIS 890 5.229 3.140 -1.923 429 2HB HIS 890 2HB HIS 890 5.117 3.192 -0.154 430 HD1 HIS 890 1HD HIS 890 6.427 6.080 -2.374 431 HD2 HIS 890 2HD HIS 890 3.239 5.004 0.154 432 HE1 HIS 890 1HE HIS 890 5.010 8.183 -2.042 433 H VAL 891 H VAL 891 6.926 2.845 1.511 434 HA VAL 891 HA VAL 891 7.612 0.049 0.931 435 HB VAL 891 HB VAL 891 9.379 0.259 2.852 436 1HG1 VAL 891 1HG1 VAL 891 9.481 0.273 0.040 437 2HG1 VAL 891 2HG1 VAL 891 10.600 1.564 0.541 438 3HG1 VAL 891 3HG1 VAL 891 10.823 -0.093 1.151 439 1HG2 VAL 891 1HG2 VAL 891 9.003 2.538 3.518 440 2HG2 VAL 891 2HG2 VAL 891 10.561 2.516 2.655 441 3HG2 VAL 891 3HG2 VAL 891 9.097 3.112 1.835 442 H LEU 892 H LEU 892 6.572 -1.306 2.310 443 HA LEU 892 HA LEU 892 4.946 -0.042 4.423 444 1HB LEU 892 1HB LEU 892 4.491 -2.063 2.538 445 2HB LEU 892 2HB LEU 892 4.660 -2.930 4.084 446 HG LEU 892 HG LEU 892 3.072 -0.454 4.300 447 1HD1 LEU 892 1HD1 LEU 892 2.448 -2.518 2.228 448 2HD1 LEU 892 2HD1 LEU 892 1.096 -1.976 3.251 449 3HD1 LEU 892 3HD1 LEU 892 2.013 -0.793 2.286 450 1HD2 LEU 892 1HD2 LEU 892 3.264 -2.184 6.063 451 2HD2 LEU 892 2HD2 LEU 892 1.577 -2.000 5.525 452 3HD2 LEU 892 3HD2 LEU 892 2.544 -3.383 4.962 453 H GLY 893 H GLY 893 5.564 -0.066 6.501 454 1HA GLY 893 1HA GLY 893 6.244 -1.345 8.437 455 2HA GLY 893 2HA GLY 893 7.345 -2.279 7.398 456 H SER 894 H SER 894 9.154 -1.039 6.349 457 HA SER 894 HA SER 894 9.949 1.346 7.931 458 1HB SER 894 1HB SER 894 11.516 -1.213 7.486 459 2HB SER 894 2HB SER 894 12.304 0.327 7.907 460 HG SER 894 HG SER 894 10.595 0.325 9.656 461 H ARG 895 H ARG 895 12.455 1.716 6.766 462 HA ARG 895 HA ARG 895 11.808 1.949 3.867 463 1HB ARG 895 1HB ARG 895 13.013 4.157 3.958 464 2HB ARG 895 2HB ARG 895 11.482 4.131 4.865 465 1HG ARG 895 1HG ARG 895 12.633 3.885 6.964 466 2HG ARG 895 2HG ARG 895 14.184 3.576 6.149 467 1HD ARG 895 1HD ARG 895 13.180 6.048 5.140 468 2HD ARG 895 2HD ARG 895 13.010 6.100 6.907 469 HE ARG 895 HE ARG 895 15.580 5.092 6.356 470 1HH1 ARG 895 2HH2 ARG 895 13.699 8.044 5.854 471 2HH1 ARG 895 1HH2 ARG 895 15.092 9.102 5.897 472 1HH2 ARG 895 2HH1 ARG 895 17.419 6.490 6.413 473 2HH2 ARG 895 1HH1 ARG 895 17.213 8.215 6.216 474 H ASP 896 H ASP 896 14.238 1.634 6.451 475 HA ASP 896 HA ASP 896 16.658 1.680 5.677 476 1HB ASP 896 1HB ASP 896 16.316 0.137 7.397 477 2HB ASP 896 2HB ASP 896 15.188 -0.840 6.433 478 H LYS 897 H LYS 897 15.249 -1.327 4.347 479 HA LYS 897 HA LYS 897 16.891 -1.823 2.290 480 1HB LYS 897 1HB LYS 897 14.332 -2.078 1.106 481 2HB LYS 897 2HB LYS 897 15.258 -3.330 1.968 482 1HG LYS 897 1HG LYS 897 13.214 -3.228 3.156 483 2HG LYS 897 2HG LYS 897 14.320 -2.232 4.133 484 1HD LYS 897 1HD LYS 897 13.453 -0.252 2.656 485 2HD LYS 897 2HD LYS 897 12.105 -1.349 2.269 486 1HE LYS 897 1HE LYS 897 12.490 -1.535 5.071 487 2HE LYS 897 2HE LYS 897 12.578 0.196 4.680 488 1HZ LYS 897 1HZ LYS 897 10.336 -1.320 4.914 489 2HZ LYS 897 2HZ LYS 897 10.435 0.221 4.335 490 3HZ LYS 897 3HZ LYS 897 10.486 -1.057 3.293 491 H ASN 898 H ASN 898 14.582 0.865 2.424 492 HA ASN 898 HA ASN 898 16.007 2.181 0.245 493 1HB ASN 898 1HB ASN 898 13.776 0.589 -0.388 494 2HB ASN 898 2HB ASN 898 13.164 2.257 -0.365 495 1HD2 ASN 898 1HD2 ASN 898 13.040 2.891 -2.459 496 2HD2 ASN 898 2HD2 ASN 898 14.344 2.772 -3.622 497 HA PRO 899 HA PRO 899 14.585 5.102 3.411 498 1HB PRO 899 1HB PRO 899 16.666 6.840 3.141 499 2HB PRO 899 2HB PRO 899 16.852 5.265 3.979 500 1HG PRO 899 1HG PRO 899 17.502 5.894 1.085 501 2HG PRO 899 2HG PRO 899 18.574 5.121 2.298 502 1HD PRO 899 1HD PRO 899 17.112 3.636 0.541 503 2HD PRO 899 2HD PRO 899 17.296 3.108 2.241 504 H ALA 900 H ALA 900 14.967 5.130 0.014 505 HA ALA 900 HA ALA 900 14.099 7.927 -0.297 506 1HB ALA 900 1HB ALA 900 14.328 5.944 -2.551 507 2HB ALA 900 2HB ALA 900 14.679 7.690 -2.535 508 3HB ALA 900 3HB ALA 900 15.808 6.548 -1.766 509 H ALA 901 H ALA 901 12.637 5.081 0.532 510 HA ALA 901 HA ALA 901 10.230 5.543 -1.137 511 1HB ALA 901 1HB ALA 901 11.179 3.242 -0.964 512 2HB ALA 901 2HB ALA 901 10.896 3.285 0.792 513 3HB ALA 901 3HB ALA 901 9.519 3.350 -0.333 514 H GLN 902 H GLN 902 8.385 4.395 0.734 515 HA GLN 902 HA GLN 902 8.383 6.475 2.870 516 1HB GLN 902 1HB GLN 902 6.256 5.651 0.901 517 2HB GLN 902 2HB GLN 902 5.784 6.230 2.516 518 1HG GLN 902 1HG GLN 902 7.552 7.705 0.522 519 2HG GLN 902 2HG GLN 902 5.867 8.101 0.920 520 1HE2 GLN 902 1HE2 GLN 902 5.932 7.673 3.726 521 2HE2 GLN 902 2HE2 GLN 902 6.945 8.903 4.450 522 H GLN 903 H GLN 903 8.073 5.719 4.894 523 HA GLN 903 HA GLN 903 7.716 2.824 5.220 524 1HB GLN 903 1HB GLN 903 8.205 5.057 7.230 525 2HB GLN 903 2HB GLN 903 8.229 3.314 7.588 526 1HG GLN 903 1HG GLN 903 10.419 3.345 7.051 527 2HG GLN 903 2HG GLN 903 9.911 3.584 5.365 528 1HE2 GLN 903 1HE2 GLN 903 9.816 5.746 4.495 529 2HE2 GLN 903 2HE2 GLN 903 10.744 7.040 5.224 530 H VAL 904 H VAL 904 5.440 3.271 4.191 531 HA VAL 904 HA VAL 904 3.485 4.361 6.070 532 HB VAL 904 HB VAL 904 2.149 4.469 4.248 533 1HG1 VAL 904 1HG1 VAL 904 4.386 3.382 2.541 534 2HG1 VAL 904 2HG1 VAL 904 3.329 4.786 2.258 535 3HG1 VAL 904 3HG1 VAL 904 4.641 4.887 3.456 536 1HG2 VAL 904 1HG2 VAL 904 1.411 2.228 4.226 537 2HG2 VAL 904 2HG2 VAL 904 2.091 2.447 2.595 538 3HG2 VAL 904 3HG2 VAL 904 3.033 1.600 3.846 539 H SER 905 H SER 905 1.420 2.914 6.369 540 HA SER 905 HA SER 905 2.296 0.150 7.051 541 1HB SER 905 1HB SER 905 1.756 2.196 8.881 542 2HB SER 905 2HB SER 905 0.253 1.243 8.833 543 HG SER 905 HG SER 905 2.889 0.317 9.325 544 HA PRO 906 HA PRO 906 -1.596 -1.299 5.558 545 1HB PRO 906 1HB PRO 906 -2.971 -2.490 7.586 546 2HB PRO 906 2HB PRO 906 -1.385 -3.114 7.025 547 1HG PRO 906 1HG PRO 906 -1.905 -1.249 9.358 548 2HG PRO 906 2HG PRO 906 -0.965 -2.777 9.375 549 1HD PRO 906 1HD PRO 906 0.258 -0.358 9.086 550 2HD PRO 906 2HD PRO 906 0.812 -1.774 8.141 551 H GLU 907 H GLU 907 -1.822 0.818 8.389 552 HA GLU 907 HA GLU 907 -4.624 1.406 8.105 553 1HB GLU 907 1HB GLU 907 -2.288 2.475 9.644 554 2HB GLU 907 2HB GLU 907 -3.709 3.530 9.454 555 1HG GLU 907 1HG GLU 907 -3.857 2.133 11.504 556 2HG GLU 907 2HG GLU 907 -5.166 1.776 10.357 557 H TRP 908 H TRP 908 -1.623 2.675 6.714 558 HA TRP 908 HA TRP 908 -2.730 5.112 5.704 559 1HB TRP 908 1HB TRP 908 -0.336 4.748 5.958 560 2HB TRP 908 2HB TRP 908 -0.387 3.410 4.802 561 HD1 TRP 908 HD TRP 908 -0.674 7.228 4.968 562 HE1 TRP 908 1HE TRP 908 -0.138 8.233 2.690 563 HE3 TRP 908 3HE TRP 908 -0.285 2.907 2.252 564 HZ2 TRP 908 2HZ TRP 908 0.396 7.286 0.008 565 HZ3 TRP 908 3HZ TRP 908 0.238 2.999 -0.158 566 HH2 TRP 908 HH TRP 908 0.580 5.174 -1.293 567 H ILE 909 H ILE 909 -2.250 1.846 4.278 568 HA ILE 909 HA ILE 909 -3.161 2.400 1.688 569 HB ILE 909 HB ILE 909 -2.968 0.000 3.455 570 1HG1 ILE 909 1HG1 ILE 909 -2.235 -0.298 0.662 571 2HG1 ILE 909 2HG1 ILE 909 -1.549 1.209 1.316 572 1HG2 ILE 909 1HG2 ILE 909 -5.280 -0.048 2.356 573 2HG2 ILE 909 2HG2 ILE 909 -4.432 -0.107 0.791 574 3HG2 ILE 909 3HG2 ILE 909 -4.212 -1.420 1.973 575 1HD1 ILE 909 1HD1 ILE 909 -0.148 -0.942 1.611 576 2HD1 ILE 909 2HD1 ILE 909 -0.406 0.061 3.059 577 3HD1 ILE 909 3HD1 ILE 909 -1.363 -1.421 2.820 578 H TRP 910 H TRP 910 -5.056 1.175 4.510 579 HA TRP 910 HA TRP 910 -7.568 1.231 3.227 580 1HB TRP 910 1HB TRP 910 -7.094 1.827 6.152 581 2HB TRP 910 2HB TRP 910 -8.489 1.036 5.407 582 HD1 TRP 910 HD TRP 910 -5.836 0.157 7.537 583 HE1 TRP 910 1HE TRP 910 -5.095 -2.273 7.350 584 HE3 TRP 910 3HE TRP 910 -7.978 -0.994 3.033 585 HZ2 TRP 910 2HZ TRP 910 -5.391 -4.459 5.477 586 HZ3 TRP 910 3HZ TRP 910 -7.727 -3.256 2.081 587 HH2 TRP 910 HH TRP 910 -6.439 -4.996 3.287 588 H ALA 911 H ALA 911 -6.127 3.665 5.475 589 HA ALA 911 HA ALA 911 -8.143 5.598 5.195 590 1HB ALA 911 1HB ALA 911 -6.667 7.037 6.293 591 2HB ALA 911 2HB ALA 911 -6.046 5.438 6.770 592 3HB ALA 911 3HB ALA 911 -5.238 6.358 5.478 593 H CYS 912 H CYS 912 -5.412 4.760 3.104 594 HA CYS 912 HA CYS 912 -5.581 7.131 1.470 595 1HB CYS 912 1HB CYS 912 -4.321 4.391 1.070 596 2HB CYS 912 2HB CYS 912 -4.159 5.734 -0.089 597 HG CYS 912 HG CYS 912 -2.253 6.624 0.945 598 H ILE 913 H ILE 913 -6.072 3.749 0.362 599 HA ILE 913 HA ILE 913 -7.585 4.260 -1.863 600 HB ILE 913 HB ILE 913 -6.886 2.024 -1.378 601 1HG1 ILE 913 1HG1 ILE 913 -9.913 2.122 -1.029 602 2HG1 ILE 913 2HG1 ILE 913 -9.069 2.292 -2.587 603 1HG2 ILE 913 1HG2 ILE 913 -8.634 1.196 0.721 604 2HG2 ILE 913 2HG2 ILE 913 -6.858 1.310 0.759 605 3HG2 ILE 913 3HG2 ILE 913 -7.850 2.701 1.259 606 1HD1 ILE 913 1HD1 ILE 913 -8.674 0.062 -2.736 607 2HD1 ILE 913 2HD1 ILE 913 -8.170 -0.044 -1.032 608 3HD1 ILE 913 3HD1 ILE 913 -9.898 -0.107 -1.455 609 H ARG 914 H ARG 914 -8.723 4.105 1.528 610 HA ARG 914 HA ARG 914 -11.500 4.397 0.886 611 1HB ARG 914 1HB ARG 914 -10.564 3.512 3.043 612 2HB ARG 914 2HB ARG 914 -10.035 5.164 3.439 613 1HG ARG 914 1HG ARG 914 -12.771 5.300 2.597 614 2HG ARG 914 2HG ARG 914 -12.635 3.989 3.793 615 1HD ARG 914 1HD ARG 914 -12.204 5.428 5.490 616 2HD ARG 914 2HD ARG 914 -11.085 6.394 4.504 617 HE ARG 914 HE ARG 914 -13.565 7.036 3.493 618 1HH1 ARG 914 2HH2 ARG 914 -12.092 7.021 6.707 619 2HH1 ARG 914 1HH2 ARG 914 -13.055 8.353 7.305 620 1HH2 ARG 914 2HH1 ARG 914 -14.838 8.795 4.283 621 2HH2 ARG 914 1HH1 ARG 914 -14.621 9.365 5.922 622 H LYS 915 H LYS 915 -8.790 6.601 1.084 623 HA LYS 915 HA LYS 915 -10.621 8.931 1.144 624 1HB LYS 915 1HB LYS 915 -7.624 8.591 1.486 625 2HB LYS 915 2HB LYS 915 -8.401 10.183 1.318 626 1HG LYS 915 1HG LYS 915 -9.301 8.136 3.377 627 2HG LYS 915 2HG LYS 915 -8.040 9.344 3.719 628 1HD LYS 915 1HD LYS 915 -9.557 11.166 3.341 629 2HD LYS 915 2HD LYS 915 -10.785 10.086 2.639 630 1HE LYS 915 1HE LYS 915 -11.455 10.594 4.907 631 2HE LYS 915 2HE LYS 915 -10.908 8.903 4.863 632 1HZ LYS 915 1HZ LYS 915 -8.714 9.822 5.577 633 2HZ LYS 915 2HZ LYS 915 -9.495 11.234 5.920 634 3HZ LYS 915 3HZ LYS 915 -9.919 9.846 6.703 635 H ARG 916 H ARG 916 -9.280 6.829 -1.073 636 HA ARG 916 HA ARG 916 -8.934 6.927 -3.333 637 1HB ARG 916 1HB ARG 916 -11.171 8.497 -2.780 638 2HB ARG 916 2HB ARG 916 -10.162 9.546 -3.804 639 1HG ARG 916 1HG ARG 916 -10.543 6.653 -4.570 640 2HG ARG 916 2HG ARG 916 -11.835 7.827 -4.918 641 1HD ARG 916 1HD ARG 916 -8.921 8.123 -5.752 642 2HD ARG 916 2HD ARG 916 -10.237 7.584 -6.816 643 HE ARG 916 HE ARG 916 -10.778 10.138 -5.536 644 1HH1 ARG 916 2HH2 ARG 916 -9.177 8.500 -8.230 645 2HH1 ARG 916 1HH2 ARG 916 -9.206 9.901 -9.278 646 1HH2 ARG 916 2HH1 ARG 916 -10.817 11.987 -6.921 647 2HH2 ARG 916 1HH1 ARG 916 -10.142 11.889 -8.531 648 H ARG 917 H ARG 917 -7.617 9.091 -1.170 649 HA ARG 917 HA ARG 917 -5.671 10.009 -3.212 650 1HB ARG 917 1HB ARG 917 -5.840 12.247 -2.630 651 2HB ARG 917 2HB ARG 917 -7.539 11.740 -2.471 652 1HG ARG 917 1HG ARG 917 -7.139 12.877 -0.447 653 2HG ARG 917 2HG ARG 917 -6.887 11.172 -0.001 654 1HD ARG 917 1HD ARG 917 -4.776 11.636 0.612 655 2HD ARG 917 2HD ARG 917 -4.416 12.194 -1.036 656 HE ARG 917 HE ARG 917 -5.189 13.869 1.281 657 1HH1 ARG 917 2HH2 ARG 917 -4.369 13.570 -2.146 658 2HH1 ARG 917 1HH2 ARG 917 -4.028 15.273 -2.353 659 1HH2 ARG 917 2HH1 ARG 917 -4.737 16.119 1.006 660 2HH2 ARG 917 1HH1 ARG 917 -4.238 16.726 -0.556 661 H LEU 918 H LEU 918 -3.685 9.403 -2.602 662 HA LEU 918 HA LEU 918 -2.989 8.028 -0.344 663 1HB LEU 918 1HB LEU 918 -1.473 9.895 -2.158 664 2HB LEU 918 2HB LEU 918 -0.663 9.209 -0.729 665 HG LEU 918 HG LEU 918 -0.312 7.324 -1.918 666 1HD1 LEU 918 1HD1 LEU 918 -2.264 6.472 -0.771 667 2HD1 LEU 918 2HD1 LEU 918 -3.356 7.273 -1.926 668 3HD1 LEU 918 3HD1 LEU 918 -2.346 5.907 -2.457 669 1HD2 LEU 918 1HD2 LEU 918 -1.363 7.057 -4.222 670 2HD2 LEU 918 2HD2 LEU 918 -2.194 8.605 -3.938 671 3HD2 LEU 918 3HD2 LEU 918 -0.415 8.546 -3.994 672 H VAL 919 H VAL 919 -2.968 8.430 1.783 673 HA VAL 919 HA VAL 919 -3.174 11.247 2.666 674 HB VAL 919 HB VAL 919 -4.220 10.431 4.571 675 1HG1 VAL 919 1HG1 VAL 919 -5.973 9.391 3.594 676 2HG1 VAL 919 2HG1 VAL 919 -4.992 9.315 2.111 677 3HG1 VAL 919 3HG1 VAL 919 -4.999 7.943 3.244 678 1HG2 VAL 919 1HG2 VAL 919 -2.922 7.715 4.097 679 2HG2 VAL 919 2HG2 VAL 919 -2.253 8.968 5.171 680 3HG2 VAL 919 3HG2 VAL 919 -3.833 8.233 5.536 681 H ALA 920 H ALA 920 -2.171 10.978 5.260 682 HA ALA 920 HA ALA 920 0.641 11.288 4.768 683 1HB ALA 920 1HB ALA 920 -0.275 12.613 6.497 684 2HB ALA 920 2HB ALA 920 -1.119 11.228 7.232 685 3HB ALA 920 3HB ALA 920 0.651 11.358 7.356 686 HA PRO 921 HA PRO 921 1.465 6.894 5.056 687 1HB PRO 921 1HB PRO 921 4.059 7.019 4.231 688 2HB PRO 921 2HB PRO 921 2.693 7.284 3.099 689 1HG PRO 921 1HG PRO 921 4.301 9.396 4.564 690 2HG PRO 921 2HG PRO 921 3.962 9.313 2.805 691 1HD PRO 921 1HD PRO 921 2.435 10.830 4.477 692 2HD PRO 921 2HD PRO 921 1.676 9.898 3.151 693 H CYS 922 H CYS 922 2.026 5.815 6.872 694 HA CYS 922 HA CYS 922 2.738 6.929 9.261 695 1HB CYS 922 1HB CYS 922 2.098 4.623 9.163 696 2HB CYS 922 2HB CYS 922 3.461 4.220 8.090 697 HG CYS 922 HG CYS 922 4.725 3.410 9.909 Start of MODEL 6 1 H GLY 835 H GLY 835 -12.490 -4.216 13.257 2 1HA GLY 835 1HA GLY 835 -10.917 -4.150 11.572 3 2HA GLY 835 2HA GLY 835 -11.898 -5.453 10.862 4 H SER 836 H SER 836 -10.384 -2.938 9.797 5 HA SER 836 HA SER 836 -12.614 -1.526 8.481 6 1HB SER 836 1HB SER 836 -10.322 -0.576 9.495 7 2HB SER 836 2HB SER 836 -9.739 -0.966 7.859 8 HG SER 836 HG SER 836 -11.266 0.369 7.002 9 H ALA 837 H ALA 837 -9.573 -3.231 7.533 10 HA ALA 837 HA ALA 837 -9.847 -3.292 4.813 11 1HB ALA 837 1HB ALA 837 -8.458 -5.205 4.828 12 2HB ALA 837 2HB ALA 837 -8.072 -4.372 6.353 13 3HB ALA 837 3HB ALA 837 -9.140 -5.796 6.362 14 H ASP 838 H ASP 838 -11.184 -5.847 6.993 15 HA ASP 838 HA ASP 838 -12.602 -7.303 5.125 16 1HB ASP 838 1HB ASP 838 -13.665 -6.582 7.875 17 2HB ASP 838 2HB ASP 838 -13.956 -8.070 6.949 18 H GLU 839 H GLU 839 -13.553 -4.243 6.727 19 HA GLU 839 HA GLU 839 -16.167 -4.203 5.479 20 1HB GLU 839 1HB GLU 839 -14.613 -2.613 7.388 21 2HB GLU 839 2HB GLU 839 -15.538 -1.600 6.254 22 1HG GLU 839 1HG GLU 839 -17.156 -3.846 7.090 23 2HG GLU 839 2HG GLU 839 -16.512 -3.016 8.523 24 H THR 840 H THR 840 -12.915 -3.187 4.628 25 HA THR 840 HA THR 840 -13.809 -1.364 2.535 26 HB THR 840 HB THR 840 -11.038 -2.543 2.775 27 HG1 THR 840 1HG THR 840 -10.756 -0.694 4.262 28 1HG2 THR 840 1HG2 THR 840 -10.430 -0.249 2.048 29 2HG2 THR 840 2HG2 THR 840 -11.559 -1.015 0.905 30 3HG2 THR 840 3HG2 THR 840 -12.152 0.204 2.059 31 H LEU 841 H LEU 841 -12.269 -4.617 2.704 32 HA LEU 841 HA LEU 841 -12.333 -5.039 -0.127 33 1HB LEU 841 1HB LEU 841 -11.923 -6.734 2.327 34 2HB LEU 841 2HB LEU 841 -12.171 -7.524 0.752 35 HG LEU 841 HG LEU 841 -9.731 -6.757 1.618 36 1HD1 LEU 841 1HD1 LEU 841 -10.930 -7.540 -0.815 37 2HD1 LEU 841 2HD1 LEU 841 -9.932 -6.123 -1.219 38 3HD1 LEU 841 3HD1 LEU 841 -9.192 -7.537 -0.430 39 1HD2 LEU 841 1HD2 LEU 841 -9.586 -4.557 -0.059 40 2HD2 LEU 841 2HD2 LEU 841 -11.139 -4.304 0.772 41 3HD2 LEU 841 3HD2 LEU 841 -9.644 -4.490 1.718 42 H CYS 842 H CYS 842 -14.839 -4.682 2.036 43 HA CYS 842 HA CYS 842 -16.619 -6.776 1.485 44 1HB CYS 842 1HB CYS 842 -16.747 -4.663 3.075 45 2HB CYS 842 2HB CYS 842 -17.596 -3.935 1.689 46 HG CYS 842 HG CYS 842 -18.295 -6.442 3.651 47 H GLN 843 H GLN 843 -15.167 -4.673 -0.708 48 HA GLN 843 HA GLN 843 -17.427 -5.000 -2.627 49 1HB GLN 843 1HB GLN 843 -15.204 -2.979 -2.931 50 2HB GLN 843 2HB GLN 843 -16.848 -2.955 -3.613 51 1HG GLN 843 1HG GLN 843 -16.971 -3.084 -0.718 52 2HG GLN 843 2HG GLN 843 -15.947 -1.721 -1.222 53 1HE2 GLN 843 1HE2 GLN 843 -16.841 -0.094 -2.653 54 2HE2 GLN 843 2HE2 GLN 843 -18.571 0.160 -2.727 55 H THR 844 H THR 844 -16.301 -7.257 -2.667 56 HA THR 844 HA THR 844 -15.164 -8.750 -3.981 57 HB THR 844 HB THR 844 -15.596 -6.493 -5.650 58 HG1 THR 844 1HG THR 844 -16.170 -8.180 -6.728 59 1HG2 THR 844 1HG2 THR 844 -13.388 -5.805 -5.851 60 2HG2 THR 844 2HG2 THR 844 -12.741 -7.431 -5.523 61 3HG2 THR 844 3HG2 THR 844 -13.438 -7.055 -7.117 62 H LYS 845 H LYS 845 -13.095 -5.839 -4.437 63 HA LYS 845 HA LYS 845 -11.117 -6.921 -2.558 64 1HB LYS 845 1HB LYS 845 -10.781 -6.886 -5.551 65 2HB LYS 845 2HB LYS 845 -9.373 -6.589 -4.505 66 1HG LYS 845 1HG LYS 845 -11.237 -8.974 -4.181 67 2HG LYS 845 2HG LYS 845 -9.732 -9.023 -5.130 68 1HD LYS 845 1HD LYS 845 -8.592 -9.420 -3.227 69 2HD LYS 845 2HD LYS 845 -9.085 -7.817 -2.633 70 1HE LYS 845 1HE LYS 845 -9.933 -9.233 -0.975 71 2HE LYS 845 2HE LYS 845 -11.340 -9.019 -2.040 72 1HZ LYS 845 1HZ LYS 845 -9.465 -11.257 -2.283 73 2HZ LYS 845 2HZ LYS 845 -10.841 -11.324 -1.376 74 3HZ LYS 845 3HZ LYS 845 -10.938 -11.089 -3.005 75 H VAL 846 H VAL 846 -12.839 -4.427 -3.921 76 HA VAL 846 HA VAL 846 -12.531 -2.143 -4.086 77 HB VAL 846 HB VAL 846 -11.317 -1.351 -1.838 78 1HG1 VAL 846 1HG1 VAL 846 -13.917 -2.858 -1.532 79 2HG1 VAL 846 2HG1 VAL 846 -13.454 -1.268 -0.880 80 3HG1 VAL 846 3HG1 VAL 846 -13.833 -1.444 -2.610 81 1HG2 VAL 846 1HG2 VAL 846 -10.953 -4.137 -1.740 82 2HG2 VAL 846 2HG2 VAL 846 -10.756 -2.993 -0.390 83 3HG2 VAL 846 3HG2 VAL 846 -12.312 -3.822 -0.633 84 H LEU 847 H LEU 847 -11.238 -1.002 -5.394 85 HA LEU 847 HA LEU 847 -8.357 -0.892 -4.845 86 1HB LEU 847 1HB LEU 847 -9.278 -1.676 -7.621 87 2HB LEU 847 2HB LEU 847 -7.640 -1.746 -6.926 88 HG LEU 847 HG LEU 847 -8.819 -3.991 -7.103 89 1HD1 LEU 847 1HD1 LEU 847 -7.430 -2.782 -4.841 90 2HD1 LEU 847 2HD1 LEU 847 -8.522 -4.079 -4.300 91 3HD1 LEU 847 3HD1 LEU 847 -7.270 -4.421 -5.517 92 1HD2 LEU 847 1HD2 LEU 847 -10.920 -2.502 -5.923 93 2HD2 LEU 847 2HD2 LEU 847 -10.891 -4.252 -6.251 94 3HD2 LEU 847 3HD2 LEU 847 -10.363 -3.633 -4.667 95 H LEU 848 H LEU 848 -9.762 1.211 -4.323 96 HA LEU 848 HA LEU 848 -10.549 2.851 -6.528 97 1HB LEU 848 1HB LEU 848 -10.126 3.140 -3.596 98 2HB LEU 848 2HB LEU 848 -10.002 4.634 -4.555 99 HG LEU 848 HG LEU 848 -12.301 2.704 -4.963 100 1HD1 LEU 848 1HD1 LEU 848 -13.120 3.198 -2.922 101 2HD1 LEU 848 2HD1 LEU 848 -11.721 4.243 -2.581 102 3HD1 LEU 848 3HD1 LEU 848 -13.157 4.915 -3.390 103 1HD2 LEU 848 1HD2 LEU 848 -12.984 4.290 -6.414 104 2HD2 LEU 848 2HD2 LEU 848 -12.838 5.553 -5.168 105 3HD2 LEU 848 3HD2 LEU 848 -11.428 5.116 -6.164 106 H ASP 849 H ASP 849 -9.348 5.272 -6.293 107 HA ASP 849 HA ASP 849 -6.649 4.690 -7.351 108 1HB ASP 849 1HB ASP 849 -6.807 7.077 -8.130 109 2HB ASP 849 2HB ASP 849 -8.061 6.006 -8.792 110 H ILE 850 H ILE 850 -6.556 4.232 -4.722 111 HA ILE 850 HA ILE 850 -5.999 6.651 -3.204 112 HB ILE 850 HB ILE 850 -4.911 4.348 -1.933 113 1HG1 ILE 850 1HG1 ILE 850 -6.213 3.128 -3.761 114 2HG1 ILE 850 2HG1 ILE 850 -6.672 2.719 -2.091 115 1HG2 ILE 850 1HG2 ILE 850 -6.707 6.469 -1.452 116 2HG2 ILE 850 2HG2 ILE 850 -7.655 4.988 -1.178 117 3HG2 ILE 850 3HG2 ILE 850 -6.145 5.258 -0.275 118 1HD1 ILE 850 1HD1 ILE 850 -8.188 4.243 -4.176 119 2HD1 ILE 850 2HD1 ILE 850 -8.781 3.115 -2.933 120 3HD1 ILE 850 3HD1 ILE 850 -8.358 4.786 -2.490 121 H PHE 851 H PHE 851 -3.800 3.879 -3.151 122 HA PHE 851 HA PHE 851 -1.471 5.440 -3.071 123 1HB PHE 851 1HB PHE 851 -1.518 2.697 -4.310 124 2HB PHE 851 2HB PHE 851 -0.311 3.420 -3.234 125 HD1 PHE 851 1HD PHE 851 -2.459 0.836 -3.310 126 HD2 PHE 851 2HD PHE 851 -1.752 4.347 -0.938 127 HE1 PHE 851 1HE PHE 851 -3.542 -0.260 -1.366 128 HE2 PHE 851 2HE PHE 851 -2.835 3.251 1.006 129 HZ PHE 851 HZ PHE 851 -3.729 0.948 0.792 130 H THR 852 H THR 852 -3.445 6.049 -5.334 131 HA THR 852 HA THR 852 -2.654 5.411 -7.850 132 HB THR 852 HB THR 852 -4.206 7.367 -6.759 133 HG1 THR 852 1HG THR 852 -4.857 7.260 -8.735 134 1HG2 THR 852 1HG2 THR 852 -3.296 9.530 -7.682 135 2HG2 THR 852 2HG2 THR 852 -2.355 8.882 -6.318 136 3HG2 THR 852 3HG2 THR 852 -1.752 8.697 -7.983 137 H GLY 853 H GLY 853 -0.599 4.972 -8.470 138 1HA GLY 853 1HA GLY 853 1.540 5.458 -9.180 139 2HA GLY 853 2HA GLY 853 1.250 7.166 -8.782 140 H VAL 854 H VAL 854 0.400 5.365 -6.098 141 HA VAL 854 HA VAL 854 2.806 6.192 -4.677 142 HB VAL 854 HB VAL 854 0.160 4.931 -3.954 143 1HG1 VAL 854 1HG1 VAL 854 2.060 3.770 -2.718 144 2HG1 VAL 854 2HG1 VAL 854 2.472 5.354 -2.020 145 3HG1 VAL 854 3HG1 VAL 854 0.889 4.615 -1.677 146 1HG2 VAL 854 1HG2 VAL 854 1.659 7.501 -3.477 147 2HG2 VAL 854 2HG2 VAL 854 -0.037 7.253 -3.958 148 3HG2 VAL 854 3HG2 VAL 854 0.462 6.966 -2.273 149 H ARG 855 H ARG 855 4.612 5.007 -4.999 150 HA ARG 855 HA ARG 855 4.359 2.075 -5.279 151 1HB ARG 855 1HB ARG 855 6.444 2.136 -6.303 152 2HB ARG 855 2HB ARG 855 5.800 3.733 -6.752 153 1HG ARG 855 1HG ARG 855 6.921 4.621 -4.619 154 2HG ARG 855 2HG ARG 855 7.774 3.061 -4.541 155 1HD ARG 855 1HD ARG 855 8.988 4.977 -5.749 156 2HD ARG 855 2HD ARG 855 8.866 3.434 -6.621 157 HE ARG 855 HE ARG 855 6.801 4.528 -7.724 158 1HH1 ARG 855 2HH2 ARG 855 9.664 6.266 -6.591 159 2HH1 ARG 855 1HH2 ARG 855 9.497 7.571 -7.744 160 1HH2 ARG 855 2HH1 ARG 855 6.580 6.252 -9.247 161 2HH2 ARG 855 1HH1 ARG 855 7.739 7.563 -9.259 162 H LEU 856 H LEU 856 3.847 1.493 -3.128 163 HA LEU 856 HA LEU 856 5.936 2.134 -1.111 164 1HB LEU 856 1HB LEU 856 4.281 2.205 0.435 165 2HB LEU 856 2HB LEU 856 3.195 2.367 -0.966 166 HG LEU 856 HG LEU 856 2.808 -0.027 -1.023 167 1HD1 LEU 856 1HD1 LEU 856 3.970 -1.149 1.209 168 2HD1 LEU 856 2HD1 LEU 856 4.628 -1.266 -0.441 169 3HD1 LEU 856 3HD1 LEU 856 5.237 -0.019 0.673 170 1HD2 LEU 856 1HD2 LEU 856 2.707 0.481 1.935 171 2HD2 LEU 856 2HD2 LEU 856 1.811 1.589 0.868 172 3HD2 LEU 856 3HD2 LEU 856 1.449 -0.154 0.847 173 H TYR 857 H TYR 857 7.105 0.522 -0.137 174 HA TYR 857 HA TYR 857 7.091 -2.067 -1.476 175 1HB TYR 857 1HB TYR 857 9.249 -1.709 -0.970 176 2HB TYR 857 2HB TYR 857 8.849 -0.494 0.257 177 HD1 TYR 857 1HD TYR 857 8.523 -4.220 -0.188 178 HD2 TYR 857 2HD TYR 857 9.545 -0.953 2.408 179 HE1 TYR 857 1HE TYR 857 9.122 -5.829 1.601 180 HE2 TYR 857 2HE TYR 857 10.144 -2.563 4.197 181 HH TYR 857 HH TYR 857 9.857 -6.100 3.744 182 H LEU 858 H LEU 858 5.275 -3.243 -0.969 183 HA LEU 858 HA LEU 858 4.247 -3.355 1.739 184 1HB LEU 858 1HB LEU 858 2.851 -3.586 -0.329 185 2HB LEU 858 2HB LEU 858 3.654 -5.142 -0.652 186 HG LEU 858 HG LEU 858 2.469 -6.220 0.964 187 1HD1 LEU 858 1HD1 LEU 858 3.647 -5.252 2.818 188 2HD1 LEU 858 2HD1 LEU 858 2.851 -3.676 2.586 189 3HD1 LEU 858 3HD1 LEU 858 1.914 -5.068 3.180 190 1HD2 LEU 858 1HD2 LEU 858 0.295 -5.577 0.800 191 2HD2 LEU 858 2HD2 LEU 858 0.623 -3.975 1.501 192 3HD2 LEU 858 3HD2 LEU 858 0.918 -4.266 -0.230 193 HA PRO 859 HA PRO 859 7.301 -6.429 2.892 194 1HB PRO 859 1HB PRO 859 6.774 -6.383 5.565 195 2HB PRO 859 2HB PRO 859 7.608 -5.025 4.743 196 1HG PRO 859 1HG PRO 859 4.651 -5.256 5.371 197 2HG PRO 859 2HG PRO 859 5.746 -3.893 5.773 198 1HD PRO 859 1HD PRO 859 4.186 -3.851 3.539 199 2HD PRO 859 2HD PRO 859 5.862 -3.224 3.487 200 HA PRO 860 HA PRO 860 4.635 -9.951 2.899 201 1HB PRO 860 1HB PRO 860 6.407 -11.882 3.645 202 2HB PRO 860 2HB PRO 860 6.557 -11.014 2.082 203 1HG PRO 860 1HG PRO 860 7.978 -10.376 4.683 204 2HG PRO 860 2HG PRO 860 8.720 -10.610 3.067 205 1HD PRO 860 1HD PRO 860 8.126 -8.123 4.012 206 2HD PRO 860 2HD PRO 860 7.846 -8.531 2.292 207 H SER 861 H SER 861 6.413 -8.819 5.711 208 HA SER 861 HA SER 861 5.096 -10.639 7.567 209 1HB SER 861 1HB SER 861 7.310 -8.803 7.580 210 2HB SER 861 2HB SER 861 6.193 -8.363 8.895 211 HG SER 861 HG SER 861 7.628 -10.726 8.467 212 H THR 862 H THR 862 4.265 -7.759 5.906 213 HA THR 862 HA THR 862 2.660 -6.494 7.906 214 HB THR 862 HB THR 862 3.257 -6.211 5.062 215 HG1 THR 862 1HG THR 862 2.191 -4.438 7.009 216 1HG2 THR 862 1HG2 THR 862 0.876 -6.868 4.829 217 2HG2 THR 862 2HG2 THR 862 0.420 -5.615 6.009 218 3HG2 THR 862 3HG2 THR 862 1.114 -5.148 4.437 219 HA PRO 863 HA PRO 863 -0.799 -9.216 8.016 220 1HB PRO 863 1HB PRO 863 -2.643 -7.564 9.154 221 2HB PRO 863 2HB PRO 863 -1.191 -8.119 10.049 222 1HG PRO 863 1HG PRO 863 -1.534 -5.511 8.541 223 2HG PRO 863 2HG PRO 863 -0.984 -5.725 10.235 224 1HD PRO 863 1HD PRO 863 0.794 -5.447 8.188 225 2HD PRO 863 2HD PRO 863 1.110 -6.607 9.513 226 H ASP 864 H ASP 864 -2.582 -9.714 6.741 227 HA ASP 864 HA ASP 864 -4.095 -9.533 5.028 228 1HB ASP 864 1HB ASP 864 -3.956 -6.857 6.167 229 2HB ASP 864 2HB ASP 864 -4.251 -6.793 4.416 230 H PHE 865 H PHE 865 -0.955 -9.199 4.836 231 HA PHE 865 HA PHE 865 -0.171 -7.764 2.631 232 1HB PHE 865 1HB PHE 865 1.191 -9.299 4.133 233 2HB PHE 865 2HB PHE 865 0.632 -10.644 3.125 234 HD1 PHE 865 1HD PHE 865 2.098 -7.212 2.623 235 HD2 PHE 865 2HD PHE 865 2.092 -11.354 1.485 236 HE1 PHE 865 1HE PHE 865 3.937 -6.773 1.018 237 HE2 PHE 865 2HE PHE 865 3.930 -10.915 -0.121 238 HZ PHE 865 HZ PHE 865 4.853 -8.625 -0.354 239 H SER 866 H SER 866 -1.756 -10.994 2.635 240 HA SER 866 HA SER 866 -1.750 -11.886 0.150 241 1HB SER 866 1HB SER 866 -3.873 -11.606 2.169 242 2HB SER 866 2HB SER 866 -4.493 -11.781 0.510 243 HG SER 866 HG SER 866 -3.537 -13.662 2.076 244 H ARG 867 H ARG 867 -4.620 -9.849 0.596 245 HA ARG 867 HA ARG 867 -4.598 -8.970 -2.109 246 1HB ARG 867 1HB ARG 867 -5.981 -7.668 0.266 247 2HB ARG 867 2HB ARG 867 -6.456 -7.574 -1.447 248 1HG ARG 867 1HG ARG 867 -7.488 -9.596 -1.383 249 2HG ARG 867 2HG ARG 867 -6.158 -10.340 -0.464 250 1HD ARG 867 1HD ARG 867 -7.008 -9.143 1.588 251 2HD ARG 867 2HD ARG 867 -8.411 -8.614 0.635 252 HE ARG 867 HE ARG 867 -9.303 -10.750 0.779 253 1HH1 ARG 867 2HH2 ARG 867 -5.906 -10.750 1.759 254 2HH1 ARG 867 1HH2 ARG 867 -5.936 -12.394 2.356 255 1HH2 ARG 867 2HH1 ARG 867 -9.343 -12.922 1.569 256 2HH2 ARG 867 1HH1 ARG 867 -7.896 -13.632 2.248 257 H LEU 868 H LEU 868 -3.428 -7.514 0.940 258 HA LEU 868 HA LEU 868 -2.945 -4.935 0.410 259 1HB LEU 868 1HB LEU 868 -1.375 -7.073 1.739 260 2HB LEU 868 2HB LEU 868 -0.452 -5.616 1.300 261 HG LEU 868 HG LEU 868 -2.660 -5.957 3.278 262 1HD1 LEU 868 1HD1 LEU 868 -0.008 -4.703 3.000 263 2HD1 LEU 868 2HD1 LEU 868 -1.193 -3.659 3.820 264 3HD1 LEU 868 3HD1 LEU 868 -0.845 -5.283 4.460 265 1HD2 LEU 868 1HD2 LEU 868 -3.298 -3.539 3.011 266 2HD2 LEU 868 2HD2 LEU 868 -2.372 -3.505 1.491 267 3HD2 LEU 868 3HD2 LEU 868 -3.801 -4.557 1.640 268 H ARG 869 H ARG 869 -0.846 -7.577 -0.870 269 HA ARG 869 HA ARG 869 0.797 -5.874 -2.440 270 1HB ARG 869 1HB ARG 869 1.306 -8.238 -1.783 271 2HB ARG 869 2HB ARG 869 0.067 -8.786 -2.938 272 1HG ARG 869 1HG ARG 869 1.589 -8.666 -4.594 273 2HG ARG 869 2HG ARG 869 1.737 -6.915 -4.309 274 1HD ARG 869 1HD ARG 869 3.860 -7.315 -3.660 275 2HD ARG 869 2HD ARG 869 3.175 -8.072 -2.206 276 HE ARG 869 HE ARG 869 4.305 -9.432 -4.556 277 1HH1 ARG 869 2HH2 ARG 869 2.413 -9.641 -1.577 278 2HH1 ARG 869 1HH2 ARG 869 2.651 -11.363 -1.385 279 1HH2 ARG 869 2HH1 ARG 869 4.619 -11.707 -4.302 280 2HH2 ARG 869 1HH1 ARG 869 3.909 -12.541 -2.939 281 H ARG 870 H ARG 870 -1.131 -8.358 -4.080 282 HA ARG 870 HA ARG 870 -1.477 -7.178 -6.483 283 1HB ARG 870 1HB ARG 870 -3.136 -9.002 -4.819 284 2HB ARG 870 2HB ARG 870 -3.972 -8.221 -6.183 285 1HG ARG 870 1HG ARG 870 -3.055 -9.831 -7.485 286 2HG ARG 870 2HG ARG 870 -1.509 -8.975 -7.265 287 1HD ARG 870 1HD ARG 870 -1.347 -10.327 -5.038 288 2HD ARG 870 2HD ARG 870 -2.590 -11.370 -5.763 289 HE ARG 870 HE ARG 870 -0.640 -11.131 -7.721 290 1HH1 ARG 870 2HH2 ARG 870 -0.773 -12.183 -4.349 291 2HH1 ARG 870 1HH2 ARG 870 0.530 -13.339 -4.515 292 1HH2 ARG 870 2HH1 ARG 870 1.081 -12.657 -7.941 293 2HH2 ARG 870 1HH1 ARG 870 1.587 -13.609 -6.563 294 H TYR 871 H TYR 871 -3.748 -6.669 -3.720 295 HA TYR 871 HA TYR 871 -5.494 -4.872 -4.820 296 1HB TYR 871 1HB TYR 871 -5.412 -5.766 -2.454 297 2HB TYR 871 2HB TYR 871 -4.207 -4.517 -2.098 298 HD1 TYR 871 1HD TYR 871 -5.196 -2.932 -0.720 299 HD2 TYR 871 2HD TYR 871 -7.379 -4.418 -4.107 300 HE1 TYR 871 1HE TYR 871 -7.012 -1.307 -0.262 301 HE2 TYR 871 2HE TYR 871 -9.195 -2.793 -3.650 302 HH TYR 871 HH TYR 871 -9.766 -1.300 -0.924 303 H PHE 872 H PHE 872 -2.506 -3.843 -3.063 304 HA PHE 872 HA PHE 872 -2.587 -1.152 -3.759 305 1HB PHE 872 1HB PHE 872 -1.002 -2.436 -2.197 306 2HB PHE 872 2HB PHE 872 -0.040 -2.781 -3.644 307 HD1 PHE 872 1HD PHE 872 0.616 -0.690 -5.100 308 HD2 PHE 872 2HD PHE 872 -0.572 -0.505 -0.977 309 HE1 PHE 872 1HE PHE 872 1.747 1.506 -4.873 310 HE2 PHE 872 2HE PHE 872 0.558 1.691 -0.750 311 HZ PHE 872 HZ PHE 872 1.717 2.696 -2.698 312 H VAL 873 H VAL 873 0.093 -2.926 -5.218 313 HA VAL 873 HA VAL 873 0.499 -1.523 -7.456 314 HB VAL 873 HB VAL 873 1.900 -3.339 -7.357 315 1HG1 VAL 873 1HG1 VAL 873 1.283 -4.937 -5.886 316 2HG1 VAL 873 2HG1 VAL 873 -0.440 -4.547 -6.102 317 3HG1 VAL 873 3HG1 VAL 873 0.358 -5.695 -7.204 318 1HG2 VAL 873 1HG2 VAL 873 1.001 -3.260 -9.658 319 2HG2 VAL 873 2HG2 VAL 873 1.370 -4.935 -9.181 320 3HG2 VAL 873 3HG2 VAL 873 -0.315 -4.361 -9.187 321 H ALA 874 H ALA 874 -2.282 -3.660 -6.903 322 HA ALA 874 HA ALA 874 -3.271 -3.745 -9.552 323 1HB ALA 874 1HB ALA 874 -4.522 -3.965 -6.807 324 2HB ALA 874 2HB ALA 874 -5.518 -4.034 -8.280 325 3HB ALA 874 3HB ALA 874 -4.238 -5.242 -8.013 326 H PHE 875 H PHE 875 -4.081 -1.517 -6.830 327 HA PHE 875 HA PHE 875 -5.953 0.097 -7.990 328 1HB PHE 875 1HB PHE 875 -3.532 1.060 -6.431 329 2HB PHE 875 2HB PHE 875 -5.073 1.915 -6.612 330 HD1 PHE 875 1HD PHE 875 -4.530 1.792 -3.964 331 HD2 PHE 875 2HD PHE 875 -5.863 -1.479 -6.408 332 HE1 PHE 875 1HE PHE 875 -5.401 0.640 -1.948 333 HE2 PHE 875 2HE PHE 875 -6.734 -2.631 -4.392 334 HZ PHE 875 HZ PHE 875 -6.503 -1.571 -2.162 335 H ASP 876 H ASP 876 -2.391 0.355 -8.454 336 HA ASP 876 HA ASP 876 -2.107 0.807 -11.044 337 1HB ASP 876 1HB ASP 876 -3.744 3.015 -9.931 338 2HB ASP 876 2HB ASP 876 -2.396 3.523 -10.971 339 H GLY 877 H GLY 877 -1.035 0.875 -8.048 340 1HA GLY 877 1HA GLY 877 1.145 2.838 -8.430 341 2HA GLY 877 2HA GLY 877 0.756 1.955 -6.936 342 H ASP 878 H ASP 878 2.761 1.035 -6.543 343 HA ASP 878 HA ASP 878 3.426 -1.279 -8.181 344 1HB ASP 878 1HB ASP 878 4.851 1.279 -8.464 345 2HB ASP 878 2HB ASP 878 5.920 -0.078 -8.047 346 H LEU 879 H LEU 879 5.035 -2.642 -7.136 347 HA LEU 879 HA LEU 879 5.580 -1.890 -4.311 348 1HB LEU 879 1HB LEU 879 4.702 -4.662 -5.181 349 2HB LEU 879 2HB LEU 879 4.847 -4.019 -3.528 350 HG LEU 879 HG LEU 879 2.816 -3.250 -5.658 351 1HD1 LEU 879 1HD1 LEU 879 1.239 -4.226 -4.252 352 2HD1 LEU 879 2HD1 LEU 879 2.644 -5.273 -3.941 353 3HD1 LEU 879 3HD1 LEU 879 2.229 -3.976 -2.794 354 1HD2 LEU 879 1HD2 LEU 879 2.827 -1.171 -4.775 355 2HD2 LEU 879 2HD2 LEU 879 2.241 -1.892 -3.257 356 3HD2 LEU 879 3HD2 LEU 879 3.986 -1.652 -3.513 357 H VAL 880 H VAL 880 7.686 -2.076 -3.844 358 HA VAL 880 HA VAL 880 9.344 -3.776 -5.640 359 HB VAL 880 HB VAL 880 10.983 -2.082 -4.076 360 1HG1 VAL 880 1HG1 VAL 880 10.176 -2.494 -6.898 361 2HG1 VAL 880 2HG1 VAL 880 10.796 -0.865 -6.538 362 3HG1 VAL 880 3HG1 VAL 880 11.798 -2.295 -6.193 363 1HG2 VAL 880 1HG2 VAL 880 8.419 -0.774 -5.034 364 2HG2 VAL 880 2HG2 VAL 880 9.216 -0.627 -3.450 365 3HG2 VAL 880 3HG2 VAL 880 9.933 0.149 -4.882 366 H GLN 881 H GLN 881 10.685 -5.333 -4.780 367 HA GLN 881 HA GLN 881 9.985 -6.347 -2.180 368 1HB GLN 881 1HB GLN 881 12.347 -7.096 -3.942 369 2HB GLN 881 2HB GLN 881 11.580 -8.091 -2.681 370 1HG GLN 881 1HG GLN 881 9.658 -8.468 -3.963 371 2HG GLN 881 2HG GLN 881 9.924 -7.027 -4.968 372 1HE2 GLN 881 1HE2 GLN 881 10.617 -10.425 -4.512 373 2HE2 GLN 881 2HE2 GLN 881 11.538 -10.661 -5.982 374 H GLU 882 H GLU 882 10.941 -6.045 -0.231 375 HA GLU 882 HA GLU 882 12.312 -3.939 0.608 376 1HB GLU 882 1HB GLU 882 11.727 -5.838 2.058 377 2HB GLU 882 2HB GLU 882 13.049 -6.798 1.351 378 1HG GLU 882 1HG GLU 882 14.230 -4.352 2.110 379 2HG GLU 882 2HG GLU 882 13.146 -4.779 3.452 380 H PHE 883 H PHE 883 14.186 -6.851 -0.429 381 HA PHE 883 HA PHE 883 16.627 -5.349 -0.656 382 1HB PHE 883 1HB PHE 883 17.573 -7.385 -1.417 383 2HB PHE 883 2HB PHE 883 16.359 -7.831 -0.206 384 HD1 PHE 883 1HD PHE 883 17.306 -7.973 -3.744 385 HD2 PHE 883 2HD PHE 883 14.236 -8.886 -0.882 386 HE1 PHE 883 1HE PHE 883 16.217 -9.473 -5.391 387 HE2 PHE 883 2HE PHE 883 13.147 -10.386 -2.529 388 HZ PHE 883 HZ PHE 883 14.137 -10.680 -4.784 389 H ASP 884 H ASP 884 14.064 -4.615 -2.274 390 HA ASP 884 HA ASP 884 15.547 -3.942 -4.713 391 1HB ASP 884 1HB ASP 884 13.030 -5.647 -4.724 392 2HB ASP 884 2HB ASP 884 13.697 -4.834 -6.156 393 H MET 885 H MET 885 15.332 -1.770 -4.224 394 HA MET 885 HA MET 885 12.680 -0.643 -4.702 395 1HB MET 885 1HB MET 885 13.551 0.717 -2.378 396 2HB MET 885 2HB MET 885 12.132 -0.344 -2.545 397 1HG MET 885 1HG MET 885 14.640 -1.841 -2.331 398 2HG MET 885 2HG MET 885 14.368 -0.792 -0.930 399 1HE MET 885 1HE MET 885 11.343 -1.426 0.554 400 2HE MET 885 2HE MET 885 12.578 -2.442 1.334 401 3HE MET 885 3HE MET 885 13.030 -0.866 0.643 402 H THR 886 H THR 886 15.868 0.264 -3.255 403 HA THR 886 HA THR 886 16.939 2.345 -3.622 404 HB THR 886 HB THR 886 18.438 1.961 -5.399 405 HG1 THR 886 1HG THR 886 17.838 1.114 -7.278 406 1HG2 THR 886 1HG2 THR 886 18.774 -0.525 -5.415 407 2HG2 THR 886 2HG2 THR 886 18.505 0.128 -3.781 408 3HG2 THR 886 3HG2 THR 886 17.186 -0.711 -4.633 409 H SER 887 H SER 887 14.889 1.486 -6.462 410 HA SER 887 HA SER 887 14.567 4.376 -7.019 411 1HB SER 887 1HB SER 887 14.535 1.883 -8.574 412 2HB SER 887 2HB SER 887 13.164 2.955 -8.948 413 HG SER 887 HG SER 887 15.613 4.201 -8.665 414 H ALA 888 H ALA 888 13.053 1.804 -5.367 415 HA ALA 888 HA ALA 888 10.368 1.962 -5.811 416 1HB ALA 888 1HB ALA 888 11.454 0.581 -4.062 417 2HB ALA 888 2HB ALA 888 11.722 2.045 -3.085 418 3HB ALA 888 3HB ALA 888 10.064 1.489 -3.418 419 H THR 889 H THR 889 8.689 3.123 -4.333 420 HA THR 889 HA THR 889 9.463 5.995 -4.122 421 HB THR 889 HB THR 889 7.804 5.018 -6.035 422 HG1 THR 889 1HG THR 889 7.576 7.082 -6.337 423 1HG2 THR 889 1HG2 THR 889 5.837 6.022 -3.988 424 2HG2 THR 889 2HG2 THR 889 5.567 4.968 -5.397 425 3HG2 THR 889 3HG2 THR 889 6.334 4.314 -3.930 426 H HIS 890 H HIS 890 7.341 3.336 -2.998 427 HA HIS 890 HA HIS 890 7.095 4.804 -0.415 428 1HB HIS 890 1HB HIS 890 5.045 3.305 -2.046 429 2HB HIS 890 2HB HIS 890 4.870 3.462 -0.289 430 HD1 HIS 890 1HD HIS 890 6.072 6.261 -2.684 431 HD2 HIS 890 2HD HIS 890 2.907 5.194 -0.122 432 HE1 HIS 890 1HE HIS 890 4.538 8.300 -2.521 433 H VAL 891 H VAL 891 6.793 3.384 1.470 434 HA VAL 891 HA VAL 891 7.527 0.564 1.097 435 HB VAL 891 HB VAL 891 9.365 0.943 2.900 436 1HG1 VAL 891 1HG1 VAL 891 10.761 0.576 1.160 437 2HG1 VAL 891 2HG1 VAL 891 9.359 0.826 0.092 438 3HG1 VAL 891 3HG1 VAL 891 10.436 2.189 0.480 439 1HG2 VAL 891 1HG2 VAL 891 8.943 3.737 1.773 440 2HG2 VAL 891 2HG2 VAL 891 8.931 3.235 3.481 441 3HG2 VAL 891 3HG2 VAL 891 10.455 3.228 2.562 442 H LEU 892 H LEU 892 6.342 -0.623 2.473 443 HA LEU 892 HA LEU 892 4.754 0.715 4.508 444 1HB LEU 892 1HB LEU 892 4.553 -1.619 2.956 445 2HB LEU 892 2HB LEU 892 4.768 -2.198 4.626 446 HG LEU 892 HG LEU 892 2.973 0.065 4.632 447 1HD1 LEU 892 1HD1 LEU 892 2.603 -1.960 2.455 448 2HD1 LEU 892 2HD1 LEU 892 1.157 -1.483 3.377 449 3HD1 LEU 892 3HD1 LEU 892 2.110 -0.250 2.517 450 1HD2 LEU 892 1HD2 LEU 892 1.463 -2.131 5.257 451 2HD2 LEU 892 2HD2 LEU 892 3.103 -2.775 5.505 452 3HD2 LEU 892 3HD2 LEU 892 2.570 -1.329 6.397 453 H GLY 893 H GLY 893 5.360 1.075 6.558 454 1HA GLY 893 1HA GLY 893 6.651 1.023 8.463 455 2HA GLY 893 2HA GLY 893 6.522 -0.743 8.300 456 H SER 894 H SER 894 8.623 1.955 8.249 457 HA SER 894 HA SER 894 10.953 1.859 8.279 458 1HB SER 894 1HB SER 894 10.701 -0.831 6.884 459 2HB SER 894 2HB SER 894 12.156 -0.144 7.645 460 HG SER 894 HG SER 894 9.760 -0.515 9.091 461 H ARG 895 H ARG 895 12.714 1.997 6.568 462 HA ARG 895 HA ARG 895 11.631 2.320 3.835 463 1HB ARG 895 1HB ARG 895 12.789 4.568 3.719 464 2HB ARG 895 2HB ARG 895 11.345 4.526 4.759 465 1HG ARG 895 1HG ARG 895 12.668 4.424 6.754 466 2HG ARG 895 2HG ARG 895 14.153 4.078 5.835 467 1HD ARG 895 1HD ARG 895 13.048 6.491 4.785 468 2HD ARG 895 2HD ARG 895 13.025 6.634 6.556 469 HE ARG 895 HE ARG 895 15.550 5.598 5.687 470 1HH1 ARG 895 2HH2 ARG 895 13.604 8.550 5.767 471 2HH1 ARG 895 1HH2 ARG 895 14.986 9.623 5.780 472 1HH2 ARG 895 2HH1 ARG 895 17.374 7.017 5.704 473 2HH2 ARG 895 1HH1 ARG 895 17.135 8.749 5.744 474 H ASP 896 H ASP 896 14.320 2.034 6.119 475 HA ASP 896 HA ASP 896 16.649 2.174 5.065 476 1HB ASP 896 1HB ASP 896 16.425 0.644 6.865 477 2HB ASP 896 2HB ASP 896 15.385 -0.443 5.919 478 H LYS 897 H LYS 897 15.108 -0.858 3.929 479 HA LYS 897 HA LYS 897 16.509 -1.411 1.726 480 1HB LYS 897 1HB LYS 897 13.836 -1.578 0.797 481 2HB LYS 897 2HB LYS 897 14.804 -2.861 1.562 482 1HG LYS 897 1HG LYS 897 12.877 -2.683 2.937 483 2HG LYS 897 2HG LYS 897 14.126 -1.764 3.811 484 1HD LYS 897 1HD LYS 897 13.222 0.287 2.463 485 2HD LYS 897 2HD LYS 897 11.789 -0.732 2.186 486 1HE LYS 897 1HE LYS 897 12.151 -1.111 4.861 487 2HE LYS 897 2HE LYS 897 12.773 0.545 4.690 488 1HZ LYS 897 1HZ LYS 897 10.305 0.164 5.093 489 2HZ LYS 897 2HZ LYS 897 10.764 1.287 3.975 490 3HZ LYS 897 3HZ LYS 897 10.230 -0.195 3.485 491 H ASN 898 H ASN 898 14.217 1.301 2.003 492 HA ASN 898 HA ASN 898 15.513 2.593 -0.278 493 1HB ASN 898 1HB ASN 898 13.823 1.196 -1.386 494 2HB ASN 898 2HB ASN 898 12.561 1.863 -0.328 495 1HD2 ASN 898 1HD2 ASN 898 13.424 1.987 -3.392 496 2HD2 ASN 898 2HD2 ASN 898 13.179 3.678 -3.773 497 HA PRO 899 HA PRO 899 14.368 5.546 2.976 498 1HB PRO 899 1HB PRO 899 16.475 7.227 2.581 499 2HB PRO 899 2HB PRO 899 16.668 5.649 3.411 500 1HG PRO 899 1HG PRO 899 17.163 6.258 0.483 501 2HG PRO 899 2HG PRO 899 18.284 5.458 1.632 502 1HD PRO 899 1HD PRO 899 16.683 4.010 -0.032 503 2HD PRO 899 2HD PRO 899 16.952 3.479 1.655 504 H ALA 900 H ALA 900 14.682 5.625 -0.459 505 HA ALA 900 HA ALA 900 13.789 8.417 -0.693 506 1HB ALA 900 1HB ALA 900 15.161 6.500 -2.341 507 2HB ALA 900 2HB ALA 900 13.684 7.026 -3.182 508 3HB ALA 900 3HB ALA 900 14.879 8.231 -2.645 509 H ALA 901 H ALA 901 12.332 5.595 0.165 510 HA ALA 901 HA ALA 901 9.913 5.991 -1.489 511 1HB ALA 901 1HB ALA 901 10.785 3.702 -1.191 512 2HB ALA 901 2HB ALA 901 10.634 3.872 0.575 513 3HB ALA 901 3HB ALA 901 9.177 3.878 -0.448 514 H GLN 902 H GLN 902 8.121 4.937 0.547 515 HA GLN 902 HA GLN 902 8.098 7.225 2.458 516 1HB GLN 902 1HB GLN 902 5.979 6.170 0.606 517 2HB GLN 902 2HB GLN 902 5.489 6.822 2.188 518 1HG GLN 902 1HG GLN 902 7.155 8.254 0.077 519 2HG GLN 902 2HG GLN 902 5.463 8.602 0.498 520 1HE2 GLN 902 1HE2 GLN 902 5.709 8.262 3.350 521 2HE2 GLN 902 2HE2 GLN 902 6.649 9.606 3.963 522 H GLN 903 H GLN 903 7.875 6.665 4.554 523 HA GLN 903 HA GLN 903 7.630 3.813 5.185 524 1HB GLN 903 1HB GLN 903 8.257 6.330 6.749 525 2HB GLN 903 2HB GLN 903 7.951 4.777 7.562 526 1HG GLN 903 1HG GLN 903 10.040 4.093 7.093 527 2HG GLN 903 2HG GLN 903 9.743 4.325 5.357 528 1HE2 GLN 903 1HE2 GLN 903 10.201 6.414 4.394 529 2HE2 GLN 903 2HE2 GLN 903 11.362 7.492 5.139 530 H VAL 904 H VAL 904 5.327 4.036 4.160 531 HA VAL 904 HA VAL 904 3.347 5.232 5.951 532 HB VAL 904 HB VAL 904 1.993 5.113 4.145 533 1HG1 VAL 904 1HG1 VAL 904 4.471 5.513 3.277 534 2HG1 VAL 904 2HG1 VAL 904 4.226 3.927 2.507 535 3HG1 VAL 904 3HG1 VAL 904 3.136 5.280 2.122 536 1HG2 VAL 904 1HG2 VAL 904 1.911 2.956 2.728 537 2HG2 VAL 904 2HG2 VAL 904 2.994 2.253 3.954 538 3HG2 VAL 904 3HG2 VAL 904 1.376 2.830 4.421 539 H SER 905 H SER 905 1.335 3.704 6.369 540 HA SER 905 HA SER 905 2.355 1.078 7.335 541 1HB SER 905 1HB SER 905 1.614 1.451 9.466 542 2HB SER 905 2HB SER 905 1.902 3.150 9.019 543 HG SER 905 HG SER 905 -0.137 3.348 9.474 544 HA PRO 906 HA PRO 906 -1.435 -0.720 5.973 545 1HB PRO 906 1HB PRO 906 -2.726 -1.827 8.102 546 2HB PRO 906 2HB PRO 906 -1.106 -2.393 7.580 547 1HG PRO 906 1HG PRO 906 -1.736 -0.381 9.759 548 2HG PRO 906 2HG PRO 906 -0.701 -1.841 9.892 549 1HD PRO 906 1HD PRO 906 0.366 0.618 9.398 550 2HD PRO 906 2HD PRO 906 1.005 -0.832 8.566 551 H GLU 907 H GLU 907 -1.819 1.556 8.674 552 HA GLU 907 HA GLU 907 -4.644 1.958 8.322 553 1HB GLU 907 1HB GLU 907 -2.885 2.566 10.274 554 2HB GLU 907 2HB GLU 907 -2.926 4.133 9.431 555 1HG GLU 907 1HG GLU 907 -5.391 2.592 10.339 556 2HG GLU 907 2HG GLU 907 -4.650 3.929 11.246 557 H TRP 908 H TRP 908 -1.723 3.243 6.818 558 HA TRP 908 HA TRP 908 -2.896 5.594 5.696 559 1HB TRP 908 1HB TRP 908 -0.489 5.268 5.897 560 2HB TRP 908 2HB TRP 908 -0.561 3.871 4.814 561 HD1 TRP 908 HD TRP 908 -0.952 7.689 4.778 562 HE1 TRP 908 1HE TRP 908 -0.480 8.578 2.438 563 HE3 TRP 908 3HE TRP 908 -0.447 3.235 2.308 564 HZ2 TRP 908 2HZ TRP 908 0.052 7.497 -0.193 565 HZ3 TRP 908 3HZ TRP 908 0.042 3.204 -0.110 566 HH2 TRP 908 HH TRP 908 0.294 5.321 -1.372 567 H ILE 909 H ILE 909 -2.193 2.358 4.257 568 HA ILE 909 HA ILE 909 -3.259 2.718 1.743 569 HB ILE 909 HB ILE 909 -3.028 0.409 3.633 570 1HG1 ILE 909 1HG1 ILE 909 -2.250 -0.042 0.887 571 2HG1 ILE 909 2HG1 ILE 909 -1.626 1.537 1.421 572 1HG2 ILE 909 1HG2 ILE 909 -5.007 -0.433 2.840 573 2HG2 ILE 909 2HG2 ILE 909 -5.006 0.630 1.413 574 3HG2 ILE 909 3HG2 ILE 909 -4.011 -0.845 1.424 575 1HD1 ILE 909 1HD1 ILE 909 -0.441 0.578 3.243 576 2HD1 ILE 909 2HD1 ILE 909 -1.356 -0.946 3.144 577 3HD1 ILE 909 3HD1 ILE 909 -0.157 -0.544 1.891 578 H TRP 910 H TRP 910 -5.084 1.605 4.658 579 HA TRP 910 HA TRP 910 -7.618 1.543 3.440 580 1HB TRP 910 1HB TRP 910 -7.074 2.359 6.301 581 2HB TRP 910 2HB TRP 910 -8.493 1.521 5.655 582 HD1 TRP 910 HD TRP 910 -5.819 0.775 7.789 583 HE1 TRP 910 1HE TRP 910 -5.072 -1.659 7.745 584 HE3 TRP 910 3HE TRP 910 -7.995 -0.656 3.383 585 HZ2 TRP 910 2HZ TRP 910 -5.376 -3.957 6.012 586 HZ3 TRP 910 3HZ TRP 910 -7.745 -2.972 2.570 587 HH2 TRP 910 HH TRP 910 -6.442 -4.631 3.868 588 H ALA 911 H ALA 911 -6.294 4.144 5.570 589 HA ALA 911 HA ALA 911 -8.317 6.014 5.141 590 1HB ALA 911 1HB ALA 911 -6.661 6.377 6.840 591 2HB ALA 911 2HB ALA 911 -5.340 6.350 5.647 592 3HB ALA 911 3HB ALA 911 -6.494 7.705 5.666 593 H CYS 912 H CYS 912 -5.568 5.116 3.091 594 HA CYS 912 HA CYS 912 -5.807 7.356 1.298 595 1HB CYS 912 1HB CYS 912 -4.565 4.599 0.925 596 2HB CYS 912 2HB CYS 912 -4.315 6.005 -0.140 597 HG CYS 912 HG CYS 912 -4.046 6.858 2.877 598 H ILE 913 H ILE 913 -6.244 3.908 0.400 599 HA ILE 913 HA ILE 913 -7.808 4.264 -1.822 600 HB ILE 913 HB ILE 913 -7.031 2.077 -1.223 601 1HG1 ILE 913 1HG1 ILE 913 -10.058 2.114 -0.871 602 2HG1 ILE 913 2HG1 ILE 913 -9.220 2.216 -2.438 603 1HG2 ILE 913 1HG2 ILE 913 -6.989 1.447 0.939 604 2HG2 ILE 913 2HG2 ILE 913 -7.975 2.862 1.380 605 3HG2 ILE 913 3HG2 ILE 913 -8.765 1.332 0.929 606 1HD1 ILE 913 1HD1 ILE 913 -8.253 -0.004 -0.765 607 2HD1 ILE 913 2HD1 ILE 913 -9.986 -0.134 -1.154 608 3HD1 ILE 913 3HD1 ILE 913 -8.786 -0.009 -2.464 609 H ARG 914 H ARG 914 -8.873 4.269 1.595 610 HA ARG 914 HA ARG 914 -11.671 4.444 0.999 611 1HB ARG 914 1HB ARG 914 -10.599 3.726 3.185 612 2HB ARG 914 2HB ARG 914 -10.227 5.442 3.479 613 1HG ARG 914 1HG ARG 914 -12.967 5.273 2.662 614 2HG ARG 914 2HG ARG 914 -12.703 4.047 3.925 615 1HD ARG 914 1HD ARG 914 -12.596 5.635 5.514 616 2HD ARG 914 2HD ARG 914 -11.317 6.490 4.625 617 HE ARG 914 HE ARG 914 -13.676 7.122 3.292 618 1HH1 ARG 914 2HH2 ARG 914 -12.400 7.418 6.576 619 2HH1 ARG 914 1HH2 ARG 914 -13.311 8.865 6.946 620 1HH2 ARG 914 2HH1 ARG 914 -14.879 9.033 3.781 621 2HH2 ARG 914 1HH1 ARG 914 -14.724 9.786 5.352 622 H LYS 915 H LYS 915 -9.027 6.718 0.955 623 HA LYS 915 HA LYS 915 -10.913 9.005 0.966 624 1HB LYS 915 1HB LYS 915 -7.904 8.733 1.232 625 2HB LYS 915 2HB LYS 915 -8.693 10.302 0.942 626 1HG LYS 915 1HG LYS 915 -9.551 8.450 3.192 627 2HG LYS 915 2HG LYS 915 -8.266 9.663 3.401 628 1HD LYS 915 1HD LYS 915 -9.763 11.471 2.921 629 2HD LYS 915 2HD LYS 915 -11.018 10.363 2.315 630 1HE LYS 915 1HE LYS 915 -11.885 10.442 4.401 631 2HE LYS 915 2HE LYS 915 -10.519 9.408 4.877 632 1HZ LYS 915 1HZ LYS 915 -11.003 11.708 5.988 633 2HZ LYS 915 2HZ LYS 915 -9.472 11.119 5.819 634 3HZ LYS 915 3HZ LYS 915 -10.043 12.247 4.760 635 H ARG 916 H ARG 916 -9.278 6.871 -1.147 636 HA ARG 916 HA ARG 916 -9.142 6.822 -3.434 637 1HB ARG 916 1HB ARG 916 -11.383 8.427 -2.891 638 2HB ARG 916 2HB ARG 916 -10.427 9.362 -4.066 639 1HG ARG 916 1HG ARG 916 -10.780 6.415 -4.542 640 2HG ARG 916 2HG ARG 916 -12.159 7.492 -4.868 641 1HD ARG 916 1HD ARG 916 -9.346 7.826 -5.988 642 2HD ARG 916 2HD ARG 916 -10.738 7.176 -6.880 643 HE ARG 916 HE ARG 916 -10.172 9.969 -6.289 644 1HH1 ARG 916 2HH2 ARG 916 -12.674 7.571 -6.992 645 2HH1 ARG 916 1HH2 ARG 916 -13.804 8.740 -7.639 646 1HH2 ARG 916 2HH1 ARG 916 -11.665 11.512 -7.143 647 2HH2 ARG 916 1HH1 ARG 916 -13.229 10.986 -7.725 648 H ARG 917 H ARG 917 -7.853 9.177 -1.437 649 HA ARG 917 HA ARG 917 -5.954 9.986 -3.567 650 1HB ARG 917 1HB ARG 917 -6.138 12.239 -1.970 651 2HB ARG 917 2HB ARG 917 -6.902 12.039 -3.565 652 1HG ARG 917 1HG ARG 917 -8.339 10.909 -1.187 653 2HG ARG 917 2HG ARG 917 -8.328 12.679 -1.378 654 1HD ARG 917 1HD ARG 917 -9.077 12.317 -3.779 655 2HD ARG 917 2HD ARG 917 -9.309 10.603 -3.373 656 HE ARG 917 HE ARG 917 -10.680 12.202 -1.458 657 1HH1 ARG 917 2HH2 ARG 917 -10.796 11.266 -4.865 658 2HH1 ARG 917 1HH2 ARG 917 -12.532 11.437 -4.995 659 1HH2 ARG 917 2HH1 ARG 917 -12.974 12.428 -1.629 660 2HH2 ARG 917 1HH1 ARG 917 -13.774 12.099 -3.149 661 H LEU 918 H LEU 918 -4.026 9.244 -2.917 662 HA LEU 918 HA LEU 918 -3.242 8.144 -0.594 663 1HB LEU 918 1HB LEU 918 -1.783 9.953 -2.514 664 2HB LEU 918 2HB LEU 918 -0.951 9.351 -1.060 665 HG LEU 918 HG LEU 918 -0.562 7.425 -2.170 666 1HD1 LEU 918 1HD1 LEU 918 -2.438 6.526 -0.980 667 2HD1 LEU 918 2HD1 LEU 918 -3.599 7.323 -2.069 668 3HD1 LEU 918 3HD1 LEU 918 -2.612 5.965 -2.660 669 1HD2 LEU 918 1HD2 LEU 918 -0.753 8.598 -4.291 670 2HD2 LEU 918 2HD2 LEU 918 -1.571 7.025 -4.447 671 3HD2 LEU 918 3HD2 LEU 918 -2.529 8.509 -4.228 672 H VAL 919 H VAL 919 -3.241 8.674 1.504 673 HA VAL 919 HA VAL 919 -3.512 11.533 2.218 674 HB VAL 919 HB VAL 919 -4.550 10.810 4.161 675 1HG1 VAL 919 1HG1 VAL 919 -5.194 9.388 1.768 676 2HG1 VAL 919 2HG1 VAL 919 -5.328 8.235 3.118 677 3HG1 VAL 919 3HG1 VAL 919 -6.260 9.751 3.146 678 1HG2 VAL 919 1HG2 VAL 919 -4.111 8.670 5.255 679 2HG2 VAL 919 2HG2 VAL 919 -3.136 8.125 3.869 680 3HG2 VAL 919 3HG2 VAL 919 -2.560 9.463 4.891 681 H ALA 920 H ALA 920 -2.501 11.479 4.807 682 HA ALA 920 HA ALA 920 0.297 11.821 4.305 683 1HB ALA 920 1HB ALA 920 0.144 12.986 6.220 684 2HB ALA 920 2HB ALA 920 -1.579 12.543 6.284 685 3HB ALA 920 3HB ALA 920 -0.371 11.537 7.119 686 HA PRO 921 HA PRO 921 1.249 7.473 4.815 687 1HB PRO 921 1HB PRO 921 3.836 7.630 3.976 688 2HB PRO 921 2HB PRO 921 2.461 7.796 2.836 689 1HG PRO 921 1HG PRO 921 4.010 10.026 4.184 690 2HG PRO 921 2HG PRO 921 3.669 9.842 2.432 691 1HD PRO 921 1HD PRO 921 2.103 11.400 4.029 692 2HD PRO 921 2HD PRO 921 1.368 10.378 2.757 693 H CYS 922 H CYS 922 1.821 6.520 6.696 694 HA CYS 922 HA CYS 922 4.130 7.271 8.208 695 1HB CYS 922 1HB CYS 922 2.150 9.068 8.634 696 2HB CYS 922 2HB CYS 922 1.681 7.825 9.821 697 HG CYS 922 HG CYS 922 4.333 9.698 9.503 Start of MODEL 7 1 H GLY 835 H GLY 835 -12.340 -2.250 12.013 2 1HA GLY 835 1HA GLY 835 -10.489 -3.996 10.726 3 2HA GLY 835 2HA GLY 835 -12.025 -4.851 10.999 4 H SER 836 H SER 836 -10.834 -1.640 9.846 5 HA SER 836 HA SER 836 -13.107 -0.886 8.409 6 1HB SER 836 1HB SER 836 -10.149 -0.355 8.044 7 2HB SER 836 2HB SER 836 -11.365 0.357 6.957 8 HG SER 836 HG SER 836 -11.370 0.566 9.790 9 H ALA 837 H ALA 837 -10.296 -2.860 7.348 10 HA ALA 837 HA ALA 837 -10.702 -3.205 4.700 11 1HB ALA 837 1HB ALA 837 -9.544 -5.197 4.896 12 2HB ALA 837 2HB ALA 837 -9.199 -4.482 6.489 13 3HB ALA 837 3HB ALA 837 -10.468 -5.719 6.325 14 H ASP 838 H ASP 838 -12.290 -5.465 7.025 15 HA ASP 838 HA ASP 838 -14.040 -6.727 5.374 16 1HB ASP 838 1HB ASP 838 -14.373 -5.676 8.189 17 2HB ASP 838 2HB ASP 838 -15.672 -6.590 7.392 18 H GLU 839 H GLU 839 -14.477 -3.440 6.756 19 HA GLU 839 HA GLU 839 -17.029 -3.085 5.405 20 1HB GLU 839 1HB GLU 839 -15.397 -1.710 7.395 21 2HB GLU 839 2HB GLU 839 -16.035 -0.578 6.178 22 1HG GLU 839 1HG GLU 839 -18.052 -2.536 6.945 23 2HG GLU 839 2HG GLU 839 -17.427 -1.679 8.370 24 H THR 840 H THR 840 -13.619 -2.457 4.756 25 HA THR 840 HA THR 840 -14.315 -0.792 2.416 26 HB THR 840 HB THR 840 -11.644 -1.586 3.643 27 HG1 THR 840 1HG THR 840 -11.866 0.182 4.754 28 1HG2 THR 840 1HG2 THR 840 -10.629 -0.635 1.858 29 2HG2 THR 840 2HG2 THR 840 -12.204 -0.727 1.034 30 3HG2 THR 840 3HG2 THR 840 -11.732 0.761 1.890 31 H LEU 841 H LEU 841 -11.965 -3.471 2.974 32 HA LEU 841 HA LEU 841 -11.786 -4.282 0.307 33 1HB LEU 841 1HB LEU 841 -10.333 -5.001 2.237 34 2HB LEU 841 2HB LEU 841 -11.645 -6.090 2.748 35 HG LEU 841 HG LEU 841 -10.331 -7.504 1.418 36 1HD1 LEU 841 1HD1 LEU 841 -12.707 -7.395 0.627 37 2HD1 LEU 841 2HD1 LEU 841 -12.212 -6.196 -0.593 38 3HD1 LEU 841 3HD1 LEU 841 -11.568 -7.854 -0.662 39 1HD2 LEU 841 1HD2 LEU 841 -9.747 -4.959 -0.059 40 2HD2 LEU 841 2HD2 LEU 841 -8.638 -6.244 0.477 41 3HD2 LEU 841 3HD2 LEU 841 -9.643 -6.484 -0.972 42 H CYS 842 H CYS 842 -14.518 -4.320 2.284 43 HA CYS 842 HA CYS 842 -15.811 -6.727 1.758 44 1HB CYS 842 1HB CYS 842 -16.465 -4.258 2.875 45 2HB CYS 842 2HB CYS 842 -17.574 -4.398 1.488 46 HG CYS 842 HG CYS 842 -16.910 -6.917 3.487 47 H GLN 843 H GLN 843 -14.718 -4.368 -0.477 48 HA GLN 843 HA GLN 843 -16.602 -5.373 -2.551 49 1HB GLN 843 1HB GLN 843 -14.781 -3.012 -2.947 50 2HB GLN 843 2HB GLN 843 -16.393 -3.331 -3.632 51 1HG GLN 843 1HG GLN 843 -16.645 -3.253 -0.778 52 2HG GLN 843 2HG GLN 843 -15.712 -1.827 -1.280 53 1HE2 GLN 843 1HE2 GLN 843 -18.334 -1.685 -0.168 54 2HE2 GLN 843 2HE2 GLN 843 -19.418 -1.078 -1.401 55 H THR 844 H THR 844 -14.457 -7.024 -1.631 56 HA THR 844 HA THR 844 -12.564 -8.117 -2.358 57 HB THR 844 HB THR 844 -14.535 -7.931 -4.481 58 HG1 THR 844 1HG THR 844 -13.779 -10.088 -4.742 59 1HG2 THR 844 1HG2 THR 844 -13.011 -7.036 -6.007 60 2HG2 THR 844 2HG2 THR 844 -11.611 -7.791 -5.208 61 3HG2 THR 844 3HG2 THR 844 -12.708 -8.780 -6.201 62 H LYS 845 H LYS 845 -10.901 -6.706 -1.760 63 HA LYS 845 HA LYS 845 -9.172 -5.235 -2.069 64 1HB LYS 845 1HB LYS 845 -9.384 -5.817 -5.031 65 2HB LYS 845 2HB LYS 845 -7.928 -5.527 -4.049 66 1HG LYS 845 1HG LYS 845 -9.777 -7.932 -3.749 67 2HG LYS 845 2HG LYS 845 -8.234 -7.943 -4.636 68 1HD LYS 845 1HD LYS 845 -7.211 -8.416 -2.679 69 2HD LYS 845 2HD LYS 845 -7.641 -6.776 -2.136 70 1HE LYS 845 1HE LYS 845 -8.699 -7.970 -0.480 71 2HE LYS 845 2HE LYS 845 -10.003 -7.979 -1.687 72 1HZ LYS 845 1HZ LYS 845 -7.992 -10.098 -1.543 73 2HZ LYS 845 2HZ LYS 845 -9.389 -10.150 -0.668 74 3HZ LYS 845 3HZ LYS 845 -9.448 -10.119 -2.316 75 H VAL 846 H VAL 846 -12.218 -4.709 -3.408 76 HA VAL 846 HA VAL 846 -13.133 -2.896 -4.588 77 HB VAL 846 HB VAL 846 -13.582 -1.296 -2.990 78 1HG1 VAL 846 1HG1 VAL 846 -12.309 -2.698 -0.800 79 2HG1 VAL 846 2HG1 VAL 846 -14.027 -2.675 -1.263 80 3HG1 VAL 846 3HG1 VAL 846 -12.928 -3.876 -1.982 81 1HG2 VAL 846 1HG2 VAL 846 -10.638 -1.506 -2.241 82 2HG2 VAL 846 2HG2 VAL 846 -11.454 -0.150 -3.056 83 3HG2 VAL 846 3HG2 VAL 846 -11.813 -0.509 -1.350 84 H LEU 847 H LEU 847 -9.849 -2.008 -3.385 85 HA LEU 847 HA LEU 847 -8.102 -1.004 -4.485 86 1HB LEU 847 1HB LEU 847 -9.753 -1.026 -7.027 87 2HB LEU 847 2HB LEU 847 -7.982 -1.057 -6.852 88 HG LEU 847 HG LEU 847 -8.738 -3.301 -7.412 89 1HD1 LEU 847 1HD1 LEU 847 -8.351 -3.572 -4.451 90 2HD1 LEU 847 2HD1 LEU 847 -7.523 -4.405 -5.788 91 3HD1 LEU 847 3HD1 LEU 847 -7.080 -2.732 -5.372 92 1HD2 LEU 847 1HD2 LEU 847 -10.471 -3.200 -4.913 93 2HD2 LEU 847 2HD2 LEU 847 -11.099 -2.879 -6.547 94 3HD2 LEU 847 3HD2 LEU 847 -10.420 -4.476 -6.153 95 H LEU 848 H LEU 848 -9.277 0.679 -7.025 96 HA LEU 848 HA LEU 848 -10.467 2.736 -7.181 97 1HB LEU 848 1HB LEU 848 -10.831 2.205 -4.465 98 2HB LEU 848 2HB LEU 848 -9.908 3.726 -4.482 99 HG LEU 848 HG LEU 848 -12.274 3.340 -6.329 100 1HD1 LEU 848 1HD1 LEU 848 -12.315 3.439 -3.416 101 2HD1 LEU 848 2HD1 LEU 848 -13.117 4.868 -4.111 102 3HD1 LEU 848 3HD1 LEU 848 -13.667 3.235 -4.556 103 1HD2 LEU 848 1HD2 LEU 848 -12.138 5.954 -5.360 104 2HD2 LEU 848 2HD2 LEU 848 -10.430 5.476 -5.512 105 3HD2 LEU 848 3HD2 LEU 848 -11.509 5.386 -6.925 106 H ASP 849 H ASP 849 -9.629 4.968 -7.306 107 HA ASP 849 HA ASP 849 -6.805 4.954 -7.845 108 1HB ASP 849 1HB ASP 849 -7.274 7.473 -8.143 109 2HB ASP 849 2HB ASP 849 -8.126 6.343 -9.219 110 H ILE 850 H ILE 850 -6.692 4.104 -5.365 111 HA ILE 850 HA ILE 850 -6.506 6.353 -3.487 112 HB ILE 850 HB ILE 850 -5.470 3.683 -2.720 113 1HG1 ILE 850 1HG1 ILE 850 -7.777 3.791 -4.355 114 2HG1 ILE 850 2HG1 ILE 850 -7.234 2.426 -3.350 115 1HG2 ILE 850 1HG2 ILE 850 -6.710 4.157 -0.721 116 2HG2 ILE 850 2HG2 ILE 850 -5.984 5.701 -1.230 117 3HG2 ILE 850 3HG2 ILE 850 -7.705 5.379 -1.548 118 1HD1 ILE 850 1HD1 ILE 850 -9.414 4.382 -2.883 119 2HD1 ILE 850 2HD1 ILE 850 -9.224 2.718 -2.278 120 3HD1 ILE 850 3HD1 ILE 850 -8.386 4.062 -1.465 121 H PHE 851 H PHE 851 -4.175 3.745 -3.333 122 HA PHE 851 HA PHE 851 -1.958 5.396 -2.978 123 1HB PHE 851 1HB PHE 851 -1.890 2.682 -4.321 124 2HB PHE 851 2HB PHE 851 -0.637 3.434 -3.319 125 HD1 PHE 851 1HD PHE 851 -3.876 1.677 -3.316 126 HD2 PHE 851 2HD PHE 851 -0.818 3.470 -0.890 127 HE1 PHE 851 1HE PHE 851 -4.819 0.569 -1.308 128 HE2 PHE 851 2HE PHE 851 -1.761 2.362 1.118 129 HZ PHE 851 HZ PHE 851 -3.761 0.911 0.909 130 H THR 852 H THR 852 -3.473 6.500 -5.143 131 HA THR 852 HA THR 852 -2.758 6.030 -7.720 132 HB THR 852 HB THR 852 -3.905 8.115 -6.382 133 HG1 THR 852 1HG THR 852 -4.407 7.671 -8.468 134 1HG2 THR 852 1HG2 THR 852 -1.287 9.139 -7.564 135 2HG2 THR 852 2HG2 THR 852 -2.602 10.142 -6.904 136 3HG2 THR 852 3HG2 THR 852 -1.676 9.067 -5.829 137 H GLY 853 H GLY 853 -0.881 5.553 -8.685 138 1HA GLY 853 1HA GLY 853 1.393 5.407 -9.038 139 2HA GLY 853 2HA GLY 853 1.346 7.174 -8.846 140 H VAL 854 H VAL 854 0.350 5.114 -6.187 141 HA VAL 854 HA VAL 854 2.622 6.118 -4.608 142 HB VAL 854 HB VAL 854 -0.050 4.856 -4.041 143 1HG1 VAL 854 1HG1 VAL 854 1.938 3.676 -2.795 144 2HG1 VAL 854 2HG1 VAL 854 2.023 5.191 -1.866 145 3HG1 VAL 854 3HG1 VAL 854 0.530 4.222 -1.855 146 1HG2 VAL 854 1HG2 VAL 854 1.215 7.435 -3.850 147 2HG2 VAL 854 2HG2 VAL 854 -0.468 6.996 -3.471 148 3HG2 VAL 854 3HG2 VAL 854 0.784 6.894 -2.210 149 H ARG 855 H ARG 855 4.465 4.973 -4.891 150 HA ARG 855 HA ARG 855 4.270 2.028 -5.132 151 1HB ARG 855 1HB ARG 855 6.335 2.107 -6.183 152 2HB ARG 855 2HB ARG 855 5.672 3.692 -6.647 153 1HG ARG 855 1HG ARG 855 6.798 4.602 -4.515 154 2HG ARG 855 2HG ARG 855 7.684 3.059 -4.461 155 1HD ARG 855 1HD ARG 855 8.898 4.928 -5.662 156 2HD ARG 855 2HD ARG 855 8.659 3.457 -6.631 157 HE ARG 855 HE ARG 855 6.454 5.053 -7.191 158 1HH1 ARG 855 2HH2 ARG 855 9.972 5.355 -7.385 159 2HH1 ARG 855 1HH2 ARG 855 9.939 6.447 -8.753 160 1HH2 ARG 855 2HH1 ARG 855 6.412 6.495 -8.996 161 2HH2 ARG 855 1HH1 ARG 855 7.909 7.096 -9.671 162 H LEU 856 H LEU 856 3.841 1.397 -3.004 163 HA LEU 856 HA LEU 856 5.939 2.134 -1.018 164 1HB LEU 856 1HB LEU 856 4.320 2.268 0.568 165 2HB LEU 856 2HB LEU 856 3.221 2.459 -0.820 166 HG LEU 856 HG LEU 856 2.674 0.121 -0.821 167 1HD1 LEU 856 1HD1 LEU 856 5.211 -0.047 0.718 168 2HD1 LEU 856 2HD1 LEU 856 3.919 -1.141 1.268 169 3HD1 LEU 856 3HD1 LEU 856 4.486 -1.210 -0.418 170 1HD2 LEU 856 1HD2 LEU 856 1.522 -0.043 1.214 171 2HD2 LEU 856 2HD2 LEU 856 2.857 0.682 2.142 172 3HD2 LEU 856 3HD2 LEU 856 1.833 1.706 1.107 173 H TYR 857 H TYR 857 7.082 0.527 -0.001 174 HA TYR 857 HA TYR 857 7.049 -2.083 -1.268 175 1HB TYR 857 1HB TYR 857 9.191 -1.707 -0.686 176 2HB TYR 857 2HB TYR 857 8.745 -0.533 0.564 177 HD1 TYR 857 1HD TYR 857 7.967 -4.188 0.167 178 HD2 TYR 857 2HD TYR 857 9.814 -1.118 2.538 179 HE1 TYR 857 1HE TYR 857 8.490 -5.859 1.924 180 HE2 TYR 857 2HE TYR 857 10.337 -2.789 4.294 181 HH TYR 857 HH TYR 857 10.330 -5.014 4.862 182 H LEU 858 H LEU 858 5.187 -3.216 -0.823 183 HA LEU 858 HA LEU 858 4.104 -3.303 1.878 184 1HB LEU 858 1HB LEU 858 2.715 -3.393 -0.213 185 2HB LEU 858 2HB LEU 858 3.417 -4.993 -0.556 186 HG LEU 858 HG LEU 858 2.133 -6.015 1.016 187 1HD1 LEU 858 1HD1 LEU 858 2.661 -3.552 2.727 188 2HD1 LEU 858 2HD1 LEU 858 1.693 -4.943 3.273 189 3HD1 LEU 858 3HD1 LEU 858 3.416 -5.157 2.879 190 1HD2 LEU 858 1HD2 LEU 858 -0.005 -5.156 1.052 191 2HD2 LEU 858 2HD2 LEU 858 0.544 -3.526 1.512 192 3HD2 LEU 858 3HD2 LEU 858 0.691 -4.072 -0.176 193 HA PRO 859 HA PRO 859 6.956 -6.583 2.964 194 1HB PRO 859 1HB PRO 859 6.383 -6.610 5.627 195 2HB PRO 859 2HB PRO 859 7.302 -5.268 4.871 196 1HG PRO 859 1HG PRO 859 4.326 -5.365 5.442 197 2HG PRO 859 2HG PRO 859 5.483 -4.078 5.914 198 1HD PRO 859 1HD PRO 859 3.969 -3.870 3.657 199 2HD PRO 859 2HD PRO 859 5.676 -3.332 3.657 200 HA PRO 860 HA PRO 860 4.067 -9.926 2.751 201 1HB PRO 860 1HB PRO 860 5.746 -12.002 3.294 202 2HB PRO 860 2HB PRO 860 5.900 -11.029 1.794 203 1HG PRO 860 1HG PRO 860 7.432 -10.666 4.385 204 2HG PRO 860 2HG PRO 860 8.111 -10.819 2.732 205 1HD PRO 860 1HD PRO 860 7.689 -8.381 3.875 206 2HD PRO 860 2HD PRO 860 7.334 -8.643 2.140 207 H SER 861 H SER 861 5.966 -9.077 5.575 208 HA SER 861 HA SER 861 4.712 -10.984 7.358 209 1HB SER 861 1HB SER 861 6.856 -9.079 7.423 210 2HB SER 861 2HB SER 861 5.743 -8.716 8.764 211 HG SER 861 HG SER 861 5.830 -11.038 9.199 212 H THR 862 H THR 862 3.729 -8.067 5.856 213 HA THR 862 HA THR 862 2.078 -7.028 7.971 214 HB THR 862 HB THR 862 2.918 -6.223 5.416 215 HG1 THR 862 1HG THR 862 1.195 -4.503 6.163 216 1HG2 THR 862 1HG2 THR 862 1.076 -7.278 4.299 217 2HG2 THR 862 2HG2 THR 862 -0.074 -6.748 5.550 218 3HG2 THR 862 3HG2 THR 862 0.645 -5.557 4.440 219 HA PRO 863 HA PRO 863 -1.322 -9.806 7.715 220 1HB PRO 863 1HB PRO 863 -3.270 -8.283 8.861 221 2HB PRO 863 2HB PRO 863 -1.847 -8.856 9.791 222 1HG PRO 863 1HG PRO 863 -2.197 -6.165 8.438 223 2HG PRO 863 2HG PRO 863 -1.724 -6.473 10.140 224 1HD PRO 863 1HD PRO 863 0.142 -6.014 8.208 225 2HD PRO 863 2HD PRO 863 0.430 -7.248 9.471 226 H ASP 864 H ASP 864 -2.957 -10.289 6.271 227 HA ASP 864 HA ASP 864 -4.380 -10.047 4.491 228 1HB ASP 864 1HB ASP 864 -4.596 -7.592 5.939 229 2HB ASP 864 2HB ASP 864 -4.559 -7.198 4.206 230 H PHE 865 H PHE 865 -1.235 -9.217 4.612 231 HA PHE 865 HA PHE 865 -0.458 -7.644 2.557 232 1HB PHE 865 1HB PHE 865 1.011 -9.076 3.968 233 2HB PHE 865 2HB PHE 865 0.530 -10.481 3.001 234 HD1 PHE 865 1HD PHE 865 1.880 -7.007 2.480 235 HD2 PHE 865 2HD PHE 865 1.948 -11.136 1.297 236 HE1 PHE 865 1HE PHE 865 3.692 -6.513 0.861 237 HE2 PHE 865 2HE PHE 865 3.760 -10.641 -0.323 238 HZ PHE 865 HZ PHE 865 4.632 -8.330 -0.541 239 H SER 866 H SER 866 -1.576 -11.050 2.142 240 HA SER 866 HA SER 866 -1.363 -11.572 -0.454 241 1HB SER 866 1HB SER 866 -2.866 -12.666 1.395 242 2HB SER 866 2HB SER 866 -4.159 -11.675 0.676 243 HG SER 866 HG SER 866 -3.999 -12.766 -1.167 244 H ARG 867 H ARG 867 -4.227 -9.661 0.638 245 HA ARG 867 HA ARG 867 -4.771 -8.720 -2.021 246 1HB ARG 867 1HB ARG 867 -5.722 -7.393 0.525 247 2HB ARG 867 2HB ARG 867 -6.569 -7.570 -1.030 248 1HG ARG 867 1HG ARG 867 -7.610 -9.309 0.029 249 2HG ARG 867 2HG ARG 867 -6.124 -10.194 -0.394 250 1HD ARG 867 1HD ARG 867 -5.453 -8.826 1.951 251 2HD ARG 867 2HD ARG 867 -7.124 -9.359 2.234 252 HE ARG 867 HE ARG 867 -4.785 -11.008 2.225 253 1HH1 ARG 867 2HH2 ARG 867 -8.163 -10.931 1.186 254 2HH1 ARG 867 1HH2 ARG 867 -8.375 -12.665 1.282 255 1HH2 ARG 867 2HH1 ARG 867 -5.064 -13.298 2.352 256 2HH2 ARG 867 1HH1 ARG 867 -6.608 -14.015 1.946 257 H LEU 868 H LEU 868 -3.641 -6.986 0.944 258 HA LEU 868 HA LEU 868 -3.152 -4.503 0.160 259 1HB LEU 868 1HB LEU 868 -1.185 -6.390 1.499 260 2HB LEU 868 2HB LEU 868 -0.899 -4.639 1.353 261 HG LEU 868 HG LEU 868 -3.425 -5.826 2.567 262 1HD1 LEU 868 1HD1 LEU 868 -0.937 -4.760 3.970 263 2HD1 LEU 868 2HD1 LEU 868 -2.428 -5.329 4.757 264 3HD1 LEU 868 3HD1 LEU 868 -1.398 -6.476 3.869 265 1HD2 LEU 868 1HD2 LEU 868 -2.686 -3.227 3.533 266 2HD2 LEU 868 2HD2 LEU 868 -2.601 -3.197 1.756 267 3HD2 LEU 868 3HD2 LEU 868 -4.110 -3.680 2.566 268 H ARG 869 H ARG 869 -1.056 -7.249 -0.858 269 HA ARG 869 HA ARG 869 0.643 -5.661 -2.515 270 1HB ARG 869 1HB ARG 869 1.166 -7.943 -1.615 271 2HB ARG 869 2HB ARG 869 -0.029 -8.620 -2.748 272 1HG ARG 869 1HG ARG 869 1.590 -8.675 -4.318 273 2HG ARG 869 2HG ARG 869 1.603 -6.895 -4.292 274 1HD ARG 869 1HD ARG 869 3.828 -7.397 -3.785 275 2HD ARG 869 2HD ARG 869 3.117 -7.205 -2.168 276 HE ARG 869 HE ARG 869 3.313 -9.514 -1.803 277 1HH1 ARG 869 2HH2 ARG 869 4.177 -8.617 -5.112 278 2HH1 ARG 869 1HH2 ARG 869 4.911 -10.160 -5.484 279 1HH2 ARG 869 2HH1 ARG 869 4.282 -11.553 -2.295 280 2HH2 ARG 869 1HH1 ARG 869 4.971 -11.834 -3.878 281 H ARG 870 H ARG 870 -1.114 -8.335 -4.009 282 HA ARG 870 HA ARG 870 -1.441 -7.384 -6.500 283 1HB ARG 870 1HB ARG 870 -2.732 -9.333 -4.872 284 2HB ARG 870 2HB ARG 870 -4.010 -8.438 -5.730 285 1HG ARG 870 1HG ARG 870 -2.791 -8.793 -7.873 286 2HG ARG 870 2HG ARG 870 -1.560 -9.737 -7.000 287 1HD ARG 870 1HD ARG 870 -2.961 -11.441 -7.720 288 2HD ARG 870 2HD ARG 870 -3.674 -11.085 -6.132 289 HE ARG 870 HE ARG 870 -5.587 -10.351 -7.193 290 1HH1 ARG 870 2HH2 ARG 870 -2.880 -10.373 -9.467 291 2HH1 ARG 870 1HH2 ARG 870 -3.866 -9.973 -10.856 292 1HH2 ARG 870 2HH1 ARG 870 -6.889 -9.824 -9.028 293 2HH2 ARG 870 1HH1 ARG 870 -6.151 -9.660 -10.606 294 H TYR 871 H TYR 871 -3.477 -6.449 -3.699 295 HA TYR 871 HA TYR 871 -5.317 -4.841 -5.121 296 1HB TYR 871 1HB TYR 871 -5.305 -5.668 -2.668 297 2HB TYR 871 2HB TYR 871 -4.312 -4.238 -2.337 298 HD1 TYR 871 1HD TYR 871 -6.067 -2.919 -4.841 299 HD2 TYR 871 2HD TYR 871 -6.834 -4.528 -0.933 300 HE1 TYR 871 1HE TYR 871 -8.117 -1.534 -4.674 301 HE2 TYR 871 2HE TYR 871 -8.885 -3.143 -0.766 302 HH TYR 871 HH TYR 871 -10.337 -1.756 -1.897 303 H PHE 872 H PHE 872 -2.453 -3.771 -3.190 304 HA PHE 872 HA PHE 872 -2.446 -1.102 -3.873 305 1HB PHE 872 1HB PHE 872 -0.868 -2.506 -2.368 306 2HB PHE 872 2HB PHE 872 0.096 -2.729 -3.838 307 HD1 PHE 872 1HD PHE 872 0.626 -0.480 -5.161 308 HD2 PHE 872 2HD PHE 872 -0.376 -0.710 -0.990 309 HE1 PHE 872 1HE PHE 872 1.721 1.712 -4.777 310 HE2 PHE 872 2HE PHE 872 0.720 1.481 -0.606 311 HZ PHE 872 HZ PHE 872 1.768 2.692 -2.499 312 H VAL 873 H VAL 873 0.206 -2.871 -5.379 313 HA VAL 873 HA VAL 873 0.644 -1.448 -7.583 314 HB VAL 873 HB VAL 873 1.974 -3.275 -7.721 315 1HG1 VAL 873 1HG1 VAL 873 -0.381 -4.680 -6.436 316 2HG1 VAL 873 2HG1 VAL 873 0.998 -5.611 -7.069 317 3HG1 VAL 873 3HG1 VAL 873 1.252 -4.407 -5.783 318 1HG2 VAL 873 1HG2 VAL 873 1.393 -4.724 -9.487 319 2HG2 VAL 873 2HG2 VAL 873 -0.330 -4.731 -9.039 320 3HG2 VAL 873 3HG2 VAL 873 0.386 -3.289 -9.799 321 H ALA 874 H ALA 874 -2.190 -3.557 -7.121 322 HA ALA 874 HA ALA 874 -3.202 -3.506 -9.746 323 1HB ALA 874 1HB ALA 874 -4.347 -4.974 -8.385 324 2HB ALA 874 2HB ALA 874 -4.332 -3.866 -6.992 325 3HB ALA 874 3HB ALA 874 -5.469 -3.593 -8.333 326 H PHE 875 H PHE 875 -4.512 -1.531 -7.026 327 HA PHE 875 HA PHE 875 -6.097 0.237 -8.147 328 1HB PHE 875 1HB PHE 875 -3.677 1.129 -6.546 329 2HB PHE 875 2HB PHE 875 -5.204 2.011 -6.721 330 HD1 PHE 875 1HD PHE 875 -3.458 -0.713 -5.021 331 HD2 PHE 875 2HD PHE 875 -7.273 1.158 -5.652 332 HE1 PHE 875 1HE PHE 875 -4.367 -1.898 -3.040 333 HE2 PHE 875 2HE PHE 875 -8.182 -0.026 -3.671 334 HZ PHE 875 HZ PHE 875 -6.729 -1.554 -2.366 335 H ASP 876 H ASP 876 -2.522 0.537 -8.514 336 HA ASP 876 HA ASP 876 -2.184 1.006 -11.104 337 1HB ASP 876 1HB ASP 876 -3.870 3.177 -10.005 338 2HB ASP 876 2HB ASP 876 -2.489 3.726 -10.980 339 H GLY 877 H GLY 877 -1.102 0.907 -8.171 340 1HA GLY 877 1HA GLY 877 1.048 2.934 -8.438 341 2HA GLY 877 2HA GLY 877 0.641 2.012 -6.974 342 H ASP 878 H ASP 878 2.605 1.043 -6.555 343 HA ASP 878 HA ASP 878 3.316 -1.204 -8.260 344 1HB ASP 878 1HB ASP 878 4.743 1.359 -8.433 345 2HB ASP 878 2HB ASP 878 5.806 -0.005 -8.025 346 H LEU 879 H LEU 879 4.994 -2.554 -7.241 347 HA LEU 879 HA LEU 879 5.416 -1.920 -4.368 348 1HB LEU 879 1HB LEU 879 3.871 -4.134 -5.569 349 2HB LEU 879 2HB LEU 879 5.093 -4.655 -4.384 350 HG LEU 879 HG LEU 879 4.136 -3.369 -2.651 351 1HD1 LEU 879 1HD1 LEU 879 2.299 -1.670 -3.182 352 2HD1 LEU 879 2HD1 LEU 879 3.936 -1.232 -3.726 353 3HD1 LEU 879 3HD1 LEU 879 2.748 -1.857 -4.895 354 1HD2 LEU 879 1HD2 LEU 879 2.280 -4.857 -4.400 355 2HD2 LEU 879 2HD2 LEU 879 2.505 -4.951 -2.637 356 3HD2 LEU 879 3HD2 LEU 879 1.471 -3.682 -3.336 357 H VAL 880 H VAL 880 7.474 -2.237 -3.724 358 HA VAL 880 HA VAL 880 9.239 -3.782 -5.565 359 HB VAL 880 HB VAL 880 10.628 -1.950 -3.785 360 1HG1 VAL 880 1HG1 VAL 880 10.317 -1.902 -6.812 361 2HG1 VAL 880 2HG1 VAL 880 11.680 -1.285 -5.847 362 3HG1 VAL 880 3HG1 VAL 880 11.390 -3.038 -5.960 363 1HG2 VAL 880 1HG2 VAL 880 8.235 -0.955 -5.317 364 2HG2 VAL 880 2HG2 VAL 880 8.886 -0.410 -3.752 365 3HG2 VAL 880 3HG2 VAL 880 9.697 0.059 -5.266 366 H GLN 881 H GLN 881 10.497 -5.385 -4.708 367 HA GLN 881 HA GLN 881 9.772 -6.457 -2.163 368 1HB GLN 881 1HB GLN 881 12.270 -7.062 -3.785 369 2HB GLN 881 2HB GLN 881 11.434 -8.130 -2.632 370 1HG GLN 881 1HG GLN 881 9.938 -8.794 -4.188 371 2HG GLN 881 2HG GLN 881 9.632 -7.123 -4.710 372 1HE2 GLN 881 1HE2 GLN 881 10.952 -6.178 -6.362 373 2HE2 GLN 881 2HE2 GLN 881 11.894 -7.178 -7.447 374 H GLU 882 H GLU 882 10.621 -6.183 -0.158 375 HA GLU 882 HA GLU 882 11.837 -4.052 0.825 376 1HB GLU 882 1HB GLU 882 11.305 -6.051 2.163 377 2HB GLU 882 2HB GLU 882 12.721 -6.890 1.484 378 1HG GLU 882 1HG GLU 882 13.919 -4.620 2.342 379 2HG GLU 882 2HG GLU 882 12.580 -4.695 3.507 380 H PHE 883 H PHE 883 13.983 -6.804 -0.100 381 HA PHE 883 HA PHE 883 16.294 -5.107 -0.241 382 1HB PHE 883 1HB PHE 883 17.403 -7.095 -1.100 383 2HB PHE 883 2HB PHE 883 16.372 -7.517 0.278 384 HD1 PHE 883 1HD PHE 883 14.463 -8.959 0.023 385 HD2 PHE 883 2HD PHE 883 16.749 -7.730 -3.400 386 HE1 PHE 883 1HE PHE 883 13.328 -10.682 -1.354 387 HE2 PHE 883 2HE PHE 883 15.614 -9.452 -4.777 388 HZ PHE 883 HZ PHE 883 13.903 -10.928 -3.754 389 H ASP 884 H ASP 884 13.761 -4.621 -2.002 390 HA ASP 884 HA ASP 884 15.324 -3.961 -4.416 391 1HB ASP 884 1HB ASP 884 12.756 -5.588 -4.416 392 2HB ASP 884 2HB ASP 884 13.496 -4.864 -5.860 393 H MET 885 H MET 885 15.139 -1.790 -3.659 394 HA MET 885 HA MET 885 12.496 -0.621 -4.271 395 1HB MET 885 1HB MET 885 13.174 0.887 -2.117 396 2HB MET 885 2HB MET 885 12.101 -0.531 -2.024 397 1HG MET 885 1HG MET 885 14.195 -1.931 -1.654 398 2HG MET 885 2HG MET 885 15.081 -0.409 -1.462 399 1HE MET 885 1HE MET 885 12.423 -2.699 -0.504 400 2HE MET 885 2HE MET 885 12.435 -2.727 1.275 401 3HE MET 885 3HE MET 885 11.370 -1.593 0.410 402 H THR 886 H THR 886 15.973 -0.231 -3.553 403 HA THR 886 HA THR 886 16.949 2.059 -3.854 404 HB THR 886 HB THR 886 18.447 1.467 -5.581 405 HG1 THR 886 1HG THR 886 17.858 0.256 -7.302 406 1HG2 THR 886 1HG2 THR 886 19.002 -0.803 -5.093 407 2HG2 THR 886 2HG2 THR 886 18.185 -0.197 -3.633 408 3HG2 THR 886 3HG2 THR 886 17.303 -1.232 -4.782 409 H SER 887 H SER 887 14.894 0.910 -6.584 410 HA SER 887 HA SER 887 14.630 3.716 -7.486 411 1HB SER 887 1HB SER 887 14.515 1.047 -8.718 412 2HB SER 887 2HB SER 887 13.178 2.110 -9.221 413 HG SER 887 HG SER 887 15.948 2.741 -9.274 414 H ALA 888 H ALA 888 13.025 1.321 -5.609 415 HA ALA 888 HA ALA 888 10.336 1.651 -6.093 416 1HB ALA 888 1HB ALA 888 11.862 1.443 -3.476 417 2HB ALA 888 2HB ALA 888 10.086 1.375 -3.568 418 3HB ALA 888 3HB ALA 888 11.068 0.138 -4.390 419 H THR 889 H THR 889 8.822 2.901 -4.404 420 HA THR 889 HA THR 889 9.800 5.709 -4.237 421 HB THR 889 HB THR 889 8.041 4.888 -6.145 422 HG1 THR 889 1HG THR 889 8.134 6.951 -6.438 423 1HG2 THR 889 1HG2 THR 889 6.274 5.969 -3.928 424 2HG2 THR 889 2HG2 THR 889 5.789 5.221 -5.468 425 3HG2 THR 889 3HG2 THR 889 6.495 4.220 -4.176 426 H HIS 890 H HIS 890 7.453 3.225 -3.148 427 HA HIS 890 HA HIS 890 7.322 4.683 -0.549 428 1HB HIS 890 1HB HIS 890 5.206 3.312 -2.197 429 2HB HIS 890 2HB HIS 890 5.041 3.401 -0.433 430 HD1 HIS 890 1HD HIS 890 5.016 5.664 -3.528 431 HD2 HIS 890 2HD HIS 890 4.521 5.803 0.650 432 HE1 HIS 890 1HE HIS 890 4.049 7.966 -2.978 433 H VAL 891 H VAL 891 7.093 3.330 1.348 434 HA VAL 891 HA VAL 891 7.655 0.460 0.977 435 HB VAL 891 HB VAL 891 9.538 0.719 2.711 436 1HG1 VAL 891 1HG1 VAL 891 9.472 1.001 -0.156 437 2HG1 VAL 891 2HG1 VAL 891 10.772 2.030 0.489 438 3HG1 VAL 891 3HG1 VAL 891 10.749 0.290 0.860 439 1HG2 VAL 891 1HG2 VAL 891 9.303 3.588 1.706 440 2HG2 VAL 891 2HG2 VAL 891 9.044 3.031 3.377 441 3HG2 VAL 891 3HG2 VAL 891 10.667 2.945 2.652 442 H LEU 892 H LEU 892 6.396 -0.655 2.344 443 HA LEU 892 HA LEU 892 4.888 0.744 4.387 444 1HB LEU 892 1HB LEU 892 4.563 -1.562 2.850 445 2HB LEU 892 2HB LEU 892 4.840 -2.182 4.496 446 HG LEU 892 HG LEU 892 3.094 0.128 4.601 447 1HD1 LEU 892 1HD1 LEU 892 1.698 -0.174 2.858 448 2HD1 LEU 892 2HD1 LEU 892 2.761 -1.465 2.249 449 3HD1 LEU 892 3HD1 LEU 892 1.423 -1.861 3.354 450 1HD2 LEU 892 1HD2 LEU 892 1.605 -2.093 5.292 451 2HD2 LEU 892 2HD2 LEU 892 3.270 -2.676 5.531 452 3HD2 LEU 892 3HD2 LEU 892 2.704 -1.223 6.390 453 H GLY 893 H GLY 893 5.609 1.182 6.381 454 1HA GLY 893 1HA GLY 893 6.835 1.058 8.319 455 2HA GLY 893 2HA GLY 893 6.725 -0.707 8.132 456 H SER 894 H SER 894 8.857 1.840 8.413 457 HA SER 894 HA SER 894 11.157 1.858 8.311 458 1HB SER 894 1HB SER 894 10.545 -0.966 7.545 459 2HB SER 894 2HB SER 894 12.150 -0.334 7.105 460 HG SER 894 HG SER 894 10.982 -0.674 9.634 461 H ARG 895 H ARG 895 12.951 1.894 6.591 462 HA ARG 895 HA ARG 895 11.894 2.162 3.848 463 1HB ARG 895 1HB ARG 895 12.996 4.420 3.670 464 2HB ARG 895 2HB ARG 895 11.572 4.390 4.737 465 1HG ARG 895 1HG ARG 895 12.900 4.439 6.701 466 2HG ARG 895 2HG ARG 895 14.370 3.952 5.824 467 1HD ARG 895 1HD ARG 895 13.529 6.291 4.527 468 2HD ARG 895 2HD ARG 895 13.247 6.623 6.249 469 HE ARG 895 HE ARG 895 15.830 5.436 5.877 470 1HH1 ARG 895 2HH2 ARG 895 14.011 8.430 5.397 471 2HH1 ARG 895 1HH2 ARG 895 15.417 9.465 5.522 472 1HH2 ARG 895 2HH1 ARG 895 17.686 6.803 6.043 473 2HH2 ARG 895 1HH1 ARG 895 17.512 8.537 5.891 474 H ASP 896 H ASP 896 14.545 1.944 6.177 475 HA ASP 896 HA ASP 896 16.890 2.094 5.140 476 1HB ASP 896 1HB ASP 896 17.190 -0.535 5.569 477 2HB ASP 896 2HB ASP 896 16.957 0.623 6.897 478 H LYS 897 H LYS 897 15.315 -0.956 4.079 479 HA LYS 897 HA LYS 897 16.748 -1.634 1.936 480 1HB LYS 897 1HB LYS 897 14.081 -1.708 0.950 481 2HB LYS 897 2HB LYS 897 14.993 -3.017 1.737 482 1HG LYS 897 1HG LYS 897 13.095 -2.781 3.118 483 2HG LYS 897 2HG LYS 897 14.334 -1.824 3.965 484 1HD LYS 897 1HD LYS 897 13.443 0.179 2.566 485 2HD LYS 897 2HD LYS 897 12.026 -0.852 2.257 486 1HE LYS 897 1HE LYS 897 12.300 -1.178 4.952 487 2HE LYS 897 2HE LYS 897 12.910 0.481 4.766 488 1HZ LYS 897 1HZ LYS 897 10.462 0.164 5.115 489 2HZ LYS 897 2HZ LYS 897 10.916 1.159 3.880 490 3HZ LYS 897 3HZ LYS 897 10.392 -0.371 3.556 491 H ASN 898 H ASN 898 14.612 1.203 2.085 492 HA ASN 898 HA ASN 898 16.021 2.393 -0.160 493 1HB ASN 898 1HB ASN 898 13.948 0.785 -0.891 494 2HB ASN 898 2HB ASN 898 13.090 2.320 -0.633 495 1HD2 ASN 898 1HD2 ASN 898 12.661 2.473 -2.913 496 2HD2 ASN 898 2HD2 ASN 898 13.917 2.964 -4.029 497 HA PRO 899 HA PRO 899 14.668 5.451 2.903 498 1HB PRO 899 1HB PRO 899 16.779 7.139 2.563 499 2HB PRO 899 2HB PRO 899 16.940 5.591 3.455 500 1HG PRO 899 1HG PRO 899 17.586 6.107 0.538 501 2HG PRO 899 2HG PRO 899 18.650 5.357 1.772 502 1HD PRO 899 1HD PRO 899 17.152 3.839 0.075 503 2HD PRO 899 2HD PRO 899 17.336 3.367 1.792 504 H ALA 900 H ALA 900 15.134 5.402 -0.509 505 HA ALA 900 HA ALA 900 14.297 8.185 -0.913 506 1HB ALA 900 1HB ALA 900 14.176 6.771 -3.344 507 2HB ALA 900 2HB ALA 900 15.503 7.812 -2.774 508 3HB ALA 900 3HB ALA 900 15.548 6.060 -2.461 509 H ALA 901 H ALA 901 12.773 5.358 -0.028 510 HA ALA 901 HA ALA 901 10.374 5.803 -1.690 511 1HB ALA 901 1HB ALA 901 9.586 3.719 -0.690 512 2HB ALA 901 2HB ALA 901 11.244 3.499 -1.299 513 3HB ALA 901 3HB ALA 901 10.957 3.713 0.445 514 H GLN 902 H GLN 902 8.505 4.864 0.299 515 HA GLN 902 HA GLN 902 8.518 7.190 2.166 516 1HB GLN 902 1HB GLN 902 6.556 6.300 0.167 517 2HB GLN 902 2HB GLN 902 5.857 6.490 1.793 518 1HG GLN 902 1HG GLN 902 7.354 8.552 0.140 519 2HG GLN 902 2HG GLN 902 5.685 8.634 0.745 520 1HE2 GLN 902 1HE2 GLN 902 6.336 7.536 3.396 521 2HE2 GLN 902 2HE2 GLN 902 7.176 8.803 4.264 522 H GLN 903 H GLN 903 8.135 6.749 4.286 523 HA GLN 903 HA GLN 903 7.938 3.908 5.021 524 1HB GLN 903 1HB GLN 903 8.583 6.486 6.462 525 2HB GLN 903 2HB GLN 903 8.194 5.005 7.370 526 1HG GLN 903 1HG GLN 903 10.275 4.230 7.024 527 2HG GLN 903 2HG GLN 903 10.024 4.318 5.267 528 1HE2 GLN 903 1HE2 GLN 903 10.600 6.276 4.129 529 2HE2 GLN 903 2HE2 GLN 903 11.772 7.384 4.808 530 H VAL 904 H VAL 904 5.678 3.867 4.077 531 HA VAL 904 HA VAL 904 3.651 5.217 5.729 532 HB VAL 904 HB VAL 904 2.351 5.001 3.901 533 1HG1 VAL 904 1HG1 VAL 904 4.653 3.634 2.483 534 2HG1 VAL 904 2HG1 VAL 904 3.502 4.831 1.843 535 3HG1 VAL 904 3HG1 VAL 904 4.769 5.337 2.986 536 1HG2 VAL 904 1HG2 VAL 904 1.748 2.722 4.466 537 2HG2 VAL 904 2HG2 VAL 904 2.096 2.776 2.722 538 3HG2 VAL 904 3HG2 VAL 904 3.300 2.107 3.849 539 H SER 905 H SER 905 1.675 3.719 6.275 540 HA SER 905 HA SER 905 2.742 1.193 7.446 541 1HB SER 905 1HB SER 905 1.952 1.746 9.501 542 2HB SER 905 2HB SER 905 2.022 3.415 8.887 543 HG SER 905 HG SER 905 -0.032 2.952 9.707 544 HA PRO 906 HA PRO 906 -0.839 -0.908 5.979 545 1HB PRO 906 1HB PRO 906 -2.095 -2.057 8.107 546 2HB PRO 906 2HB PRO 906 -0.423 -2.509 7.638 547 1HG PRO 906 1HG PRO 906 -1.262 -0.498 9.747 548 2HG PRO 906 2HG PRO 906 -0.121 -1.869 9.943 549 1HD PRO 906 1HD PRO 906 0.765 0.653 9.408 550 2HD PRO 906 2HD PRO 906 1.536 -0.764 8.631 551 H GLU 907 H GLU 907 -1.502 1.343 8.662 552 HA GLU 907 HA GLU 907 -4.331 1.542 8.120 553 1HB GLU 907 1HB GLU 907 -2.308 2.927 9.844 554 2HB GLU 907 2HB GLU 907 -3.836 3.775 9.504 555 1HG GLU 907 1HG GLU 907 -3.914 2.347 11.573 556 2HG GLU 907 2HG GLU 907 -5.131 1.908 10.355 557 H TRP 908 H TRP 908 -1.433 2.910 6.750 558 HA TRP 908 HA TRP 908 -2.558 5.331 5.730 559 1HB TRP 908 1HB TRP 908 -0.167 4.993 5.910 560 2HB TRP 908 2HB TRP 908 -0.241 3.600 4.823 561 HD1 TRP 908 HD TRP 908 -0.540 7.420 4.806 562 HE1 TRP 908 1HE TRP 908 -0.061 8.312 2.468 563 HE3 TRP 908 3HE TRP 908 -0.195 2.970 2.300 564 HZ2 TRP 908 2HZ TRP 908 0.414 7.234 -0.175 565 HZ3 TRP 908 3HZ TRP 908 0.271 2.943 -0.123 566 HH2 TRP 908 HH TRP 908 0.577 5.060 -1.372 567 H ILE 909 H ILE 909 -2.471 1.967 4.591 568 HA ILE 909 HA ILE 909 -3.376 2.526 1.928 569 HB ILE 909 HB ILE 909 -3.117 0.124 3.707 570 1HG1 ILE 909 1HG1 ILE 909 -2.349 -0.067 0.892 571 2HG1 ILE 909 2HG1 ILE 909 -1.631 1.364 1.669 572 1HG2 ILE 909 1HG2 ILE 909 -4.852 0.344 1.224 573 2HG2 ILE 909 2HG2 ILE 909 -4.137 -1.201 1.746 574 3HG2 ILE 909 3HG2 ILE 909 -5.278 -0.343 2.810 575 1HD1 ILE 909 1HD1 ILE 909 -0.089 -0.420 2.065 576 2HD1 ILE 909 2HD1 ILE 909 -0.971 -0.204 3.596 577 3HD1 ILE 909 3HD1 ILE 909 -1.393 -1.547 2.507 578 H TRP 910 H TRP 910 -5.044 1.508 4.955 579 HA TRP 910 HA TRP 910 -7.641 1.342 3.872 580 1HB TRP 910 1HB TRP 910 -6.839 2.248 6.652 581 2HB TRP 910 2HB TRP 910 -8.395 1.560 6.169 582 HD1 TRP 910 HD TRP 910 -5.676 0.559 8.104 583 HE1 TRP 910 1HE TRP 910 -5.193 -1.941 8.062 584 HE3 TRP 910 3HE TRP 910 -8.293 -0.698 3.889 585 HZ2 TRP 910 2HZ TRP 910 -5.856 -4.220 6.405 586 HZ3 TRP 910 3HZ TRP 910 -8.344 -3.039 3.111 587 HH2 TRP 910 HH TRP 910 -7.134 -4.808 4.354 588 H ALA 911 H ALA 911 -6.091 4.087 5.634 589 HA ALA 911 HA ALA 911 -8.227 5.904 5.186 590 1HB ALA 911 1HB ALA 911 -6.232 6.025 6.833 591 2HB ALA 911 2HB ALA 911 -5.318 6.697 5.461 592 3HB ALA 911 3HB ALA 911 -6.766 7.539 6.064 593 H CYS 912 H CYS 912 -5.157 5.315 3.413 594 HA CYS 912 HA CYS 912 -5.459 7.349 1.484 595 1HB CYS 912 1HB CYS 912 -3.350 6.274 1.642 596 2HB CYS 912 2HB CYS 912 -4.071 4.653 1.490 597 HG CYS 912 HG CYS 912 -4.429 4.555 -0.887 598 H ILE 913 H ILE 913 -6.445 3.881 1.383 599 HA ILE 913 HA ILE 913 -7.543 3.792 -1.159 600 HB ILE 913 HB ILE 913 -8.694 2.526 1.357 601 1HG1 ILE 913 1HG1 ILE 913 -6.635 1.365 -0.552 602 2HG1 ILE 913 2HG1 ILE 913 -6.175 2.244 0.926 603 1HG2 ILE 913 1HG2 ILE 913 -10.235 1.955 -0.260 604 2HG2 ILE 913 2HG2 ILE 913 -9.079 2.187 -1.594 605 3HG2 ILE 913 3HG2 ILE 913 -9.016 0.706 -0.608 606 1HD1 ILE 913 1HD1 ILE 913 -6.862 0.551 2.301 607 2HD1 ILE 913 2HD1 ILE 913 -8.266 0.157 1.280 608 3HD1 ILE 913 3HD1 ILE 913 -6.649 -0.447 0.843 609 H ARG 914 H ARG 914 -9.662 4.103 1.731 610 HA ARG 914 HA ARG 914 -11.906 5.051 0.417 611 1HB ARG 914 1HB ARG 914 -11.114 4.630 3.055 612 2HB ARG 914 2HB ARG 914 -11.482 6.371 3.001 613 1HG ARG 914 1HG ARG 914 -13.344 4.276 1.827 614 2HG ARG 914 2HG ARG 914 -13.453 4.805 3.523 615 1HD ARG 914 1HD ARG 914 -13.245 7.034 1.604 616 2HD ARG 914 2HD ARG 914 -14.694 6.034 1.368 617 HE ARG 914 HE ARG 914 -14.388 6.595 4.145 618 1HH1 ARG 914 2HH2 ARG 914 -15.176 8.160 1.074 619 2HH1 ARG 914 1HH2 ARG 914 -16.190 9.386 1.802 620 1HH2 ARG 914 2HH1 ARG 914 -15.727 8.215 5.107 621 2HH2 ARG 914 1HH1 ARG 914 -16.503 9.417 4.101 622 H LYS 915 H LYS 915 -9.115 6.919 1.680 623 HA LYS 915 HA LYS 915 -10.128 9.499 1.180 624 1HB LYS 915 1HB LYS 915 -7.341 8.315 1.254 625 2HB LYS 915 2HB LYS 915 -7.614 10.046 0.939 626 1HG LYS 915 1HG LYS 915 -8.857 8.623 3.317 627 2HG LYS 915 2HG LYS 915 -7.238 9.358 3.396 628 1HD LYS 915 1HD LYS 915 -8.116 11.542 2.881 629 2HD LYS 915 2HD LYS 915 -9.713 10.869 2.473 630 1HE LYS 915 1HE LYS 915 -10.280 10.503 4.691 631 2HE LYS 915 2HE LYS 915 -8.589 10.326 5.206 632 1HZ LYS 915 1HZ LYS 915 -8.612 12.416 5.778 633 2HZ LYS 915 2HZ LYS 915 -8.957 12.888 4.235 634 3HZ LYS 915 3HZ LYS 915 -10.181 12.581 5.296 635 H ARG 916 H ARG 916 -9.100 6.988 -0.996 636 HA ARG 916 HA ARG 916 -8.999 6.896 -3.280 637 1HB ARG 916 1HB ARG 916 -10.936 9.012 -2.659 638 2HB ARG 916 2HB ARG 916 -10.146 9.244 -4.237 639 1HG ARG 916 1HG ARG 916 -11.772 7.788 -4.939 640 2HG ARG 916 2HG ARG 916 -10.622 6.568 -4.342 641 1HD ARG 916 1HD ARG 916 -12.267 5.863 -2.968 642 2HD ARG 916 2HD ARG 916 -12.012 7.363 -2.050 643 HE ARG 916 HE ARG 916 -14.147 6.840 -4.041 644 1HH1 ARG 916 2HH2 ARG 916 -12.562 8.991 -1.725 645 2HH1 ARG 916 1HH2 ARG 916 -13.914 10.096 -1.619 646 1HH2 ARG 916 2HH1 ARG 916 -15.932 8.300 -3.901 647 2HH2 ARG 916 1HH1 ARG 916 -15.835 9.702 -2.860 648 H ARG 917 H ARG 917 -7.326 9.009 -1.415 649 HA ARG 917 HA ARG 917 -5.533 9.692 -3.649 650 1HB ARG 917 1HB ARG 917 -5.496 12.056 -2.271 651 2HB ARG 917 2HB ARG 917 -6.442 11.774 -3.752 652 1HG ARG 917 1HG ARG 917 -7.704 10.896 -1.193 653 2HG ARG 917 2HG ARG 917 -7.549 12.653 -1.433 654 1HD ARG 917 1HD ARG 917 -8.551 12.285 -3.758 655 2HD ARG 917 2HD ARG 917 -8.942 10.635 -3.228 656 HE ARG 917 HE ARG 917 -9.923 12.434 -1.275 657 1HH1 ARG 917 2HH2 ARG 917 -10.453 11.536 -4.654 658 2HH1 ARG 917 1HH2 ARG 917 -12.151 11.960 -4.642 659 1HH2 ARG 917 2HH1 ARG 917 -12.165 12.993 -1.260 660 2HH2 ARG 917 1HH1 ARG 917 -13.126 12.790 -2.707 661 H LEU 918 H LEU 918 -3.557 9.061 -3.033 662 HA LEU 918 HA LEU 918 -2.744 7.963 -0.714 663 1HB LEU 918 1HB LEU 918 -1.218 9.894 -2.496 664 2HB LEU 918 2HB LEU 918 -0.450 8.938 -1.206 665 HG LEU 918 HG LEU 918 -0.221 7.704 -3.280 666 1HD1 LEU 918 1HD1 LEU 918 -1.496 6.724 -0.983 667 2HD1 LEU 918 2HD1 LEU 918 -2.492 6.118 -2.327 668 3HD1 LEU 918 3HD1 LEU 918 -0.752 5.749 -2.273 669 1HD2 LEU 918 1HD2 LEU 918 -2.329 8.981 -4.228 670 2HD2 LEU 918 2HD2 LEU 918 -1.944 7.348 -4.821 671 3HD2 LEU 918 3HD2 LEU 918 -3.219 7.574 -3.599 672 H VAL 919 H VAL 919 -2.678 8.502 1.382 673 HA VAL 919 HA VAL 919 -2.920 11.374 2.078 674 HB VAL 919 HB VAL 919 -4.217 10.688 3.796 675 1HG1 VAL 919 1HG1 VAL 919 -4.810 9.159 1.769 676 2HG1 VAL 919 2HG1 VAL 919 -4.024 7.867 2.707 677 3HG1 VAL 919 3HG1 VAL 919 -5.442 8.712 3.371 678 1HG2 VAL 919 1HG2 VAL 919 -3.359 8.275 4.855 679 2HG2 VAL 919 2HG2 VAL 919 -1.841 8.999 4.271 680 3HG2 VAL 919 3HG2 VAL 919 -2.861 9.884 5.432 681 H ALA 920 H ALA 920 -1.916 11.370 4.642 682 HA ALA 920 HA ALA 920 0.896 11.581 4.154 683 1HB ALA 920 1HB ALA 920 0.778 11.721 6.818 684 2HB ALA 920 2HB ALA 920 0.195 13.052 5.789 685 3HB ALA 920 3HB ALA 920 -0.963 11.894 6.487 686 HA PRO 921 HA PRO 921 1.737 7.243 4.817 687 1HB PRO 921 1HB PRO 921 4.376 7.330 4.144 688 2HB PRO 921 2HB PRO 921 3.081 7.516 2.917 689 1HG PRO 921 1HG PRO 921 4.594 9.724 4.341 690 2HG PRO 921 2HG PRO 921 4.362 9.528 2.572 691 1HD PRO 921 1HD PRO 921 2.735 11.140 4.051 692 2HD PRO 921 2HD PRO 921 2.059 10.122 2.743 693 H CYS 922 H CYS 922 2.149 6.308 6.746 694 HA CYS 922 HA CYS 922 4.324 7.270 8.439 695 1HB CYS 922 1HB CYS 922 2.725 7.536 10.408 696 2HB CYS 922 2HB CYS 922 2.652 8.825 9.180 697 HG CYS 922 HG CYS 922 0.561 6.603 10.158 Start of MODEL 8 1 H GLY 835 H GLY 835 -7.618 -2.567 12.485 2 1HA GLY 835 1HA GLY 835 -8.670 -4.589 11.334 3 2HA GLY 835 2HA GLY 835 -9.743 -3.730 12.462 4 H SER 836 H SER 836 -9.041 -1.716 9.848 5 HA SER 836 HA SER 836 -11.699 -1.678 8.889 6 1HB SER 836 1HB SER 836 -9.041 -0.666 7.879 7 2HB SER 836 2HB SER 836 -10.498 -0.527 6.865 8 HG SER 836 HG SER 836 -10.135 1.291 8.257 9 H ALA 837 H ALA 837 -9.316 -2.131 6.375 10 HA ALA 837 HA ALA 837 -9.611 -3.470 4.482 11 1HB ALA 837 1HB ALA 837 -9.371 -5.798 6.355 12 2HB ALA 837 2HB ALA 837 -8.451 -5.423 4.878 13 3HB ALA 837 3HB ALA 837 -8.091 -4.560 6.393 14 H ASP 838 H ASP 838 -10.966 -5.802 6.827 15 HA ASP 838 HA ASP 838 -12.885 -6.939 5.282 16 1HB ASP 838 1HB ASP 838 -12.801 -6.222 8.204 17 2HB ASP 838 2HB ASP 838 -14.275 -6.949 7.527 18 H GLU 839 H GLU 839 -13.129 -3.768 6.924 19 HA GLU 839 HA GLU 839 -15.864 -3.358 6.019 20 1HB GLU 839 1HB GLU 839 -13.934 -2.082 7.799 21 2HB GLU 839 2HB GLU 839 -14.767 -0.891 6.770 22 1HG GLU 839 1HG GLU 839 -16.630 -2.911 7.730 23 2HG GLU 839 2HG GLU 839 -15.778 -2.148 9.090 24 H THR 840 H THR 840 -12.589 -2.612 4.909 25 HA THR 840 HA THR 840 -13.606 -0.793 2.834 26 HB THR 840 HB THR 840 -10.779 -1.831 3.223 27 HG1 THR 840 1HG THR 840 -10.579 0.182 4.416 28 1HG2 THR 840 1HG2 THR 840 -10.177 0.219 2.057 29 2HG2 THR 840 2HG2 THR 840 -11.403 -0.638 1.093 30 3HG2 THR 840 3HG2 THR 840 -11.869 0.772 2.074 31 H LEU 841 H LEU 841 -12.097 -4.030 3.155 32 HA LEU 841 HA LEU 841 -12.111 -4.518 0.305 33 1HB LEU 841 1HB LEU 841 -10.845 -5.621 2.486 34 2HB LEU 841 2HB LEU 841 -12.090 -6.843 2.131 35 HG LEU 841 HG LEU 841 -10.507 -7.576 0.636 36 1HD1 LEU 841 1HD1 LEU 841 -12.336 -5.636 -0.547 37 2HD1 LEU 841 2HD1 LEU 841 -10.815 -5.722 -1.467 38 3HD1 LEU 841 3HD1 LEU 841 -11.774 -7.196 -1.194 39 1HD2 LEU 841 1HD2 LEU 841 -9.504 -4.783 0.037 40 2HD2 LEU 841 2HD2 LEU 841 -8.981 -5.640 1.507 41 3HD2 LEU 841 3HD2 LEU 841 -8.642 -6.334 -0.097 42 H CYS 842 H CYS 842 -14.611 -4.092 2.390 43 HA CYS 842 HA CYS 842 -16.289 -6.341 1.958 44 1HB CYS 842 1HB CYS 842 -16.486 -3.622 3.035 45 2HB CYS 842 2HB CYS 842 -17.968 -4.122 2.181 46 HG CYS 842 HG CYS 842 -17.047 -4.722 5.026 47 H GLN 843 H GLN 843 -14.959 -4.262 -0.293 48 HA GLN 843 HA GLN 843 -17.286 -4.605 -2.127 49 1HB GLN 843 1HB GLN 843 -15.066 -2.598 -2.533 50 2HB GLN 843 2HB GLN 843 -16.731 -2.577 -3.161 51 1HG GLN 843 1HG GLN 843 -16.830 -2.669 -0.286 52 2HG GLN 843 2HG GLN 843 -15.724 -1.366 -0.773 53 1HE2 GLN 843 1HE2 GLN 843 -17.911 -0.497 0.480 54 2HE2 GLN 843 2HE2 GLN 843 -19.083 0.177 -0.632 55 H THR 844 H THR 844 -16.494 -6.800 -2.549 56 HA THR 844 HA THR 844 -15.318 -8.334 -3.777 57 HB THR 844 HB THR 844 -15.724 -6.022 -5.398 58 HG1 THR 844 1HG THR 844 -16.446 -8.202 -5.702 59 1HG2 THR 844 1HG2 THR 844 -12.929 -7.137 -5.416 60 2HG2 THR 844 2HG2 THR 844 -13.676 -6.694 -6.970 61 3HG2 THR 844 3HG2 THR 844 -13.487 -5.469 -5.692 62 H LYS 845 H LYS 845 -13.130 -5.594 -4.489 63 HA LYS 845 HA LYS 845 -11.125 -6.730 -2.636 64 1HB LYS 845 1HB LYS 845 -11.107 -7.390 -5.331 65 2HB LYS 845 2HB LYS 845 -9.995 -6.001 -5.252 66 1HG LYS 845 1HG LYS 845 -8.865 -8.218 -4.861 67 2HG LYS 845 2HG LYS 845 -8.688 -7.081 -3.503 68 1HD LYS 845 1HD LYS 845 -11.129 -8.647 -3.229 69 2HD LYS 845 2HD LYS 845 -9.712 -9.710 -3.395 70 1HE LYS 845 1HE LYS 845 -9.448 -7.333 -1.593 71 2HE LYS 845 2HE LYS 845 -10.468 -8.674 -1.027 72 1HZ LYS 845 1HZ LYS 845 -8.632 -9.682 -0.465 73 2HZ LYS 845 2HZ LYS 845 -8.188 -9.784 -2.050 74 3HZ LYS 845 3HZ LYS 845 -7.684 -8.509 -1.133 75 H VAL 846 H VAL 846 -12.864 -4.152 -3.752 76 HA VAL 846 HA VAL 846 -12.508 -1.867 -3.858 77 HB VAL 846 HB VAL 846 -11.022 -1.307 -1.630 78 1HG1 VAL 846 1HG1 VAL 846 -13.073 -0.796 -0.700 79 2HG1 VAL 846 2HG1 VAL 846 -13.590 -1.042 -2.386 80 3HG1 VAL 846 3HG1 VAL 846 -13.801 -2.345 -1.191 81 1HG2 VAL 846 1HG2 VAL 846 -12.441 -3.768 -0.724 82 2HG2 VAL 846 2HG2 VAL 846 -10.929 -4.028 -1.627 83 3HG2 VAL 846 3HG2 VAL 846 -10.921 -3.047 -0.142 84 H LEU 847 H LEU 847 -11.284 -0.814 -5.298 85 HA LEU 847 HA LEU 847 -8.394 -0.634 -4.868 86 1HB LEU 847 1HB LEU 847 -9.399 -1.630 -7.548 87 2HB LEU 847 2HB LEU 847 -7.727 -1.573 -6.941 88 HG LEU 847 HG LEU 847 -8.685 -3.879 -6.870 89 1HD1 LEU 847 1HD1 LEU 847 -7.812 -2.364 -4.434 90 2HD1 LEU 847 2HD1 LEU 847 -8.427 -4.017 -4.196 91 3HD1 LEU 847 3HD1 LEU 847 -7.032 -3.732 -5.264 92 1HD2 LEU 847 1HD2 LEU 847 -10.383 -3.518 -4.561 93 2HD2 LEU 847 2HD2 LEU 847 -10.954 -2.465 -5.878 94 3HD2 LEU 847 3HD2 LEU 847 -10.791 -4.217 -6.146 95 H LEU 848 H LEU 848 -8.993 1.579 -4.486 96 HA LEU 848 HA LEU 848 -10.061 3.034 -6.835 97 1HB LEU 848 1HB LEU 848 -10.039 3.407 -3.902 98 2HB LEU 848 2HB LEU 848 -9.710 4.888 -4.834 99 HG LEU 848 HG LEU 848 -11.941 3.123 -5.783 100 1HD1 LEU 848 1HD1 LEU 848 -11.782 4.269 -3.089 101 2HD1 LEU 848 2HD1 LEU 848 -13.160 4.916 -4.010 102 3HD1 LEU 848 3HD1 LEU 848 -12.991 3.159 -3.779 103 1HD2 LEU 848 1HD2 LEU 848 -12.050 4.968 -7.094 104 2HD2 LEU 848 2HD2 LEU 848 -12.730 5.796 -5.672 105 3HD2 LEU 848 3HD2 LEU 848 -10.985 5.894 -6.010 106 H ASP 849 H ASP 849 -8.993 5.394 -6.909 107 HA ASP 849 HA ASP 849 -6.236 4.912 -7.679 108 1HB ASP 849 1HB ASP 849 -8.093 7.304 -7.704 109 2HB ASP 849 2HB ASP 849 -6.381 7.437 -8.160 110 H ILE 850 H ILE 850 -6.429 4.320 -4.992 111 HA ILE 850 HA ILE 850 -5.810 6.575 -3.315 112 HB ILE 850 HB ILE 850 -4.779 3.998 -2.397 113 1HG1 ILE 850 1HG1 ILE 850 -6.589 3.388 -4.172 114 2HG1 ILE 850 2HG1 ILE 850 -6.732 2.674 -2.548 115 1HG2 ILE 850 1HG2 ILE 850 -7.269 5.227 -1.304 116 2HG2 ILE 850 2HG2 ILE 850 -5.801 4.678 -0.459 117 3HG2 ILE 850 3HG2 ILE 850 -5.814 6.253 -1.288 118 1HD1 ILE 850 1HD1 ILE 850 -8.338 4.901 -3.804 119 2HD1 ILE 850 2HD1 ILE 850 -8.903 3.470 -2.909 120 3HD1 ILE 850 3HD1 ILE 850 -8.160 4.831 -2.035 121 H PHE 851 H PHE 851 -3.605 3.809 -3.433 122 HA PHE 851 HA PHE 851 -1.293 5.431 -3.227 123 1HB PHE 851 1HB PHE 851 -1.298 2.664 -4.425 124 2HB PHE 851 2HB PHE 851 -0.091 3.422 -3.373 125 HD1 PHE 851 1HD PHE 851 -2.435 0.919 -3.439 126 HD2 PHE 851 2HD PHE 851 -1.312 4.292 -1.029 127 HE1 PHE 851 1HE PHE 851 -3.499 -0.138 -1.463 128 HE2 PHE 851 2HE PHE 851 -2.375 3.235 0.947 129 HZ PHE 851 HZ PHE 851 -3.468 1.020 0.729 130 H THR 852 H THR 852 -3.221 5.970 -5.554 131 HA THR 852 HA THR 852 -2.342 5.322 -8.038 132 HB THR 852 HB THR 852 -3.985 7.234 -7.037 133 HG1 THR 852 1HG THR 852 -4.427 7.570 -9.126 134 1HG2 THR 852 1HG2 THR 852 -3.129 9.438 -7.800 135 2HG2 THR 852 2HG2 THR 852 -2.115 8.755 -6.507 136 3HG2 THR 852 3HG2 THR 852 -1.566 8.684 -8.199 137 H GLY 853 H GLY 853 -0.251 4.910 -8.563 138 1HA GLY 853 1HA GLY 853 1.888 5.454 -9.240 139 2HA GLY 853 2HA GLY 853 1.555 7.155 -8.840 140 H VAL 854 H VAL 854 0.718 5.150 -6.240 141 HA VAL 854 HA VAL 854 3.106 6.030 -4.762 142 HB VAL 854 HB VAL 854 0.444 4.793 -3.997 143 1HG1 VAL 854 1HG1 VAL 854 1.152 4.492 -1.801 144 2HG1 VAL 854 2HG1 VAL 854 2.629 4.037 -2.683 145 3HG1 VAL 854 3HG1 VAL 854 2.487 5.658 -1.961 146 1HG2 VAL 854 1HG2 VAL 854 0.590 7.004 -2.556 147 2HG2 VAL 854 2HG2 VAL 854 1.809 7.474 -3.765 148 3HG2 VAL 854 3HG2 VAL 854 0.147 7.095 -4.278 149 H ARG 855 H ARG 855 4.856 4.754 -5.086 150 HA ARG 855 HA ARG 855 4.469 1.831 -5.280 151 1HB ARG 855 1HB ARG 855 6.605 1.765 -6.242 152 2HB ARG 855 2HB ARG 855 5.964 3.320 -6.826 153 1HG ARG 855 1HG ARG 855 7.055 4.330 -4.690 154 2HG ARG 855 2HG ARG 855 7.971 2.805 -4.613 155 1HD ARG 855 1HD ARG 855 9.126 4.681 -5.871 156 2HD ARG 855 2HD ARG 855 8.925 3.174 -6.791 157 HE ARG 855 HE ARG 855 7.008 4.237 -7.936 158 1HH1 ARG 855 2HH2 ARG 855 9.285 6.277 -6.158 159 2HH1 ARG 855 1HH2 ARG 855 8.910 7.724 -7.067 160 1HH2 ARG 855 2HH1 ARG 855 6.513 6.149 -9.136 161 2HH2 ARG 855 1HH1 ARG 855 7.330 7.651 -8.765 162 H LEU 856 H LEU 856 3.889 1.407 -3.087 163 HA LEU 856 HA LEU 856 6.001 1.994 -1.084 164 1HB LEU 856 1HB LEU 856 4.338 2.113 0.457 165 2HB LEU 856 2HB LEU 856 3.281 2.324 -0.959 166 HG LEU 856 HG LEU 856 2.782 -0.046 -1.024 167 1HD1 LEU 856 1HD1 LEU 856 5.195 -0.158 0.694 168 2HD1 LEU 856 2HD1 LEU 856 3.872 -1.231 1.211 169 3HD1 LEU 856 3HD1 LEU 856 4.540 -1.370 -0.433 170 1HD2 LEU 856 1HD2 LEU 856 1.337 -0.008 0.745 171 2HD2 LEU 856 2HD2 LEU 856 2.633 0.303 1.925 172 3HD2 LEU 856 3HD2 LEU 856 1.960 1.644 0.968 173 H TYR 857 H TYR 857 7.153 0.383 -0.105 174 HA TYR 857 HA TYR 857 7.121 -2.221 -1.379 175 1HB TYR 857 1HB TYR 857 9.257 -1.855 -0.770 176 2HB TYR 857 2HB TYR 857 8.800 -0.685 0.480 177 HD1 TYR 857 1HD TYR 857 8.089 -4.350 0.024 178 HD2 TYR 857 2HD TYR 857 9.772 -1.268 2.498 179 HE1 TYR 857 1HE TYR 857 8.588 -6.031 1.779 180 HE2 TYR 857 2HE TYR 857 10.270 -2.948 4.252 181 HH TYR 857 HH TYR 857 9.566 -6.423 3.809 182 H LEU 858 H LEU 858 5.304 -3.411 -0.963 183 HA LEU 858 HA LEU 858 4.177 -3.499 1.730 184 1HB LEU 858 1HB LEU 858 2.784 -3.554 -0.346 185 2HB LEU 858 2HB LEU 858 3.504 -5.132 -0.748 186 HG LEU 858 HG LEU 858 2.253 -6.229 0.805 187 1HD1 LEU 858 1HD1 LEU 858 3.460 -5.423 2.715 188 2HD1 LEU 858 2HD1 LEU 858 2.757 -3.796 2.557 189 3HD1 LEU 858 3HD1 LEU 858 1.736 -5.159 3.073 190 1HD2 LEU 858 1HD2 LEU 858 0.080 -5.363 1.005 191 2HD2 LEU 858 2HD2 LEU 858 0.659 -3.691 1.201 192 3HD2 LEU 858 3HD2 LEU 858 0.715 -4.470 -0.398 193 HA PRO 859 HA PRO 859 7.015 -6.803 2.786 194 1HB PRO 859 1HB PRO 859 6.436 -6.855 5.448 195 2HB PRO 859 2HB PRO 859 7.363 -5.510 4.709 196 1HG PRO 859 1HG PRO 859 4.386 -5.598 5.272 197 2HG PRO 859 2HG PRO 859 5.548 -4.322 5.760 198 1HD PRO 859 1HD PRO 859 4.039 -4.082 3.503 199 2HD PRO 859 2HD PRO 859 5.749 -3.553 3.512 200 HA PRO 860 HA PRO 860 4.141 -10.152 2.559 201 1HB PRO 860 1HB PRO 860 5.791 -12.224 3.197 202 2HB PRO 860 2HB PRO 860 6.003 -11.276 1.689 203 1HG PRO 860 1HG PRO 860 7.440 -10.876 4.329 204 2HG PRO 860 2HG PRO 860 8.179 -11.058 2.704 205 1HD PRO 860 1HD PRO 860 7.725 -8.600 3.792 206 2HD PRO 860 2HD PRO 860 7.433 -8.889 2.050 207 H SER 861 H SER 861 5.930 -9.254 5.438 208 HA SER 861 HA SER 861 4.490 -11.109 7.176 209 1HB SER 861 1HB SER 861 6.830 -9.437 7.310 210 2HB SER 861 2HB SER 861 5.740 -9.017 8.653 211 HG SER 861 HG SER 861 7.319 -10.925 8.779 212 H THR 862 H THR 862 3.840 -8.126 5.658 213 HA THR 862 HA THR 862 2.353 -6.825 7.726 214 HB THR 862 HB THR 862 2.977 -6.452 4.917 215 HG1 THR 862 1HG THR 862 1.922 -4.754 6.936 216 1HG2 THR 862 1HG2 THR 862 0.113 -5.917 5.811 217 2HG2 THR 862 2HG2 THR 862 0.852 -5.260 4.331 218 3HG2 THR 862 3HG2 THR 862 0.631 -7.017 4.512 219 HA PRO 863 HA PRO 863 -1.298 -9.280 7.799 220 1HB PRO 863 1HB PRO 863 -3.029 -7.514 8.942 221 2HB PRO 863 2HB PRO 863 -1.621 -8.172 9.838 222 1HG PRO 863 1HG PRO 863 -1.782 -5.537 8.345 223 2HG PRO 863 2HG PRO 863 -1.253 -5.798 10.039 224 1HD PRO 863 1HD PRO 863 0.545 -5.629 7.998 225 2HD PRO 863 2HD PRO 863 0.779 -6.815 9.317 226 H ASP 864 H ASP 864 -3.055 -9.673 6.472 227 HA ASP 864 HA ASP 864 -4.519 -9.402 4.732 228 1HB ASP 864 1HB ASP 864 -4.326 -6.755 5.960 229 2HB ASP 864 2HB ASP 864 -4.663 -6.659 4.218 230 H PHE 865 H PHE 865 -1.418 -9.260 4.549 231 HA PHE 865 HA PHE 865 -0.595 -7.688 2.403 232 1HB PHE 865 1HB PHE 865 0.815 -9.154 3.872 233 2HB PHE 865 2HB PHE 865 0.226 -10.556 2.963 234 HD1 PHE 865 1HD PHE 865 1.912 -7.242 2.444 235 HD2 PHE 865 2HD PHE 865 1.410 -11.291 1.100 236 HE1 PHE 865 1HE PHE 865 3.706 -6.907 0.765 237 HE2 PHE 865 2HE PHE 865 3.204 -10.956 -0.579 238 HZ PHE 865 HZ PHE 865 4.352 -8.764 -0.747 239 H SER 866 H SER 866 -1.855 -11.071 2.265 240 HA SER 866 HA SER 866 -1.836 -11.706 -0.322 241 1HB SER 866 1HB SER 866 -3.250 -12.620 1.758 242 2HB SER 866 2HB SER 866 -4.569 -11.783 0.904 243 HG SER 866 HG SER 866 -3.313 -13.014 -0.968 244 H ARG 867 H ARG 867 -3.985 -9.199 1.071 245 HA ARG 867 HA ARG 867 -4.994 -8.543 -1.618 246 1HB ARG 867 1HB ARG 867 -5.612 -7.135 0.996 247 2HB ARG 867 2HB ARG 867 -6.592 -7.193 -0.489 248 1HG ARG 867 1HG ARG 867 -7.682 -8.798 0.792 249 2HG ARG 867 2HG ARG 867 -6.491 -9.818 -0.051 250 1HD ARG 867 1HD ARG 867 -5.279 -10.200 1.845 251 2HD ARG 867 2HD ARG 867 -5.531 -8.552 2.459 252 HE ARG 867 HE ARG 867 -6.994 -10.875 3.216 253 1HH1 ARG 867 2HH2 ARG 867 -7.457 -7.480 2.343 254 2HH1 ARG 867 1HH2 ARG 867 -8.905 -7.288 3.305 255 1HH2 ARG 867 2HH1 ARG 867 -8.907 -10.621 4.486 256 2HH2 ARG 867 1HH1 ARG 867 -9.732 -9.079 4.527 257 H LEU 868 H LEU 868 -3.500 -6.754 1.146 258 HA LEU 868 HA LEU 868 -2.967 -4.334 0.220 259 1HB LEU 868 1HB LEU 868 -0.923 -6.260 1.384 260 2HB LEU 868 2HB LEU 868 -0.641 -4.512 1.203 261 HG LEU 868 HG LEU 868 -2.647 -5.945 2.959 262 1HD1 LEU 868 1HD1 LEU 868 -1.235 -5.232 4.563 263 2HD1 LEU 868 2HD1 LEU 868 -0.176 -4.546 3.307 264 3HD1 LEU 868 3HD1 LEU 868 -1.460 -3.548 4.032 265 1HD2 LEU 868 1HD2 LEU 868 -3.915 -4.286 1.630 266 2HD2 LEU 868 2HD2 LEU 868 -3.762 -3.764 3.325 267 3HD2 LEU 868 3HD2 LEU 868 -2.735 -3.029 2.071 268 H ARG 869 H ARG 869 -1.195 -7.239 -0.944 269 HA ARG 869 HA ARG 869 0.374 -5.753 -2.848 270 1HB ARG 869 1HB ARG 869 0.124 -8.469 -1.880 271 2HB ARG 869 2HB ARG 869 0.160 -8.460 -3.659 272 1HG ARG 869 1HG ARG 869 2.136 -6.753 -3.344 273 2HG ARG 869 2HG ARG 869 2.226 -7.440 -1.704 274 1HD ARG 869 1HD ARG 869 2.659 -8.795 -4.368 275 2HD ARG 869 2HD ARG 869 3.685 -8.821 -2.918 276 HE ARG 869 HE ARG 869 1.263 -10.022 -2.185 277 1HH1 ARG 869 2HH2 ARG 869 3.871 -10.551 -4.513 278 2HH1 ARG 869 1HH2 ARG 869 3.685 -12.290 -4.533 279 1HH2 ARG 869 2HH1 ARG 869 1.018 -12.320 -2.211 280 2HH2 ARG 869 1HH1 ARG 869 2.059 -13.299 -3.220 281 H ARG 870 H ARG 870 -1.654 -8.499 -3.837 282 HA ARG 870 HA ARG 870 -2.229 -7.685 -6.378 283 1HB ARG 870 1HB ARG 870 -2.961 -9.790 -4.925 284 2HB ARG 870 2HB ARG 870 -4.476 -8.868 -4.773 285 1HG ARG 870 1HG ARG 870 -5.064 -9.370 -6.892 286 2HG ARG 870 2HG ARG 870 -3.501 -8.790 -7.514 287 1HD ARG 870 1HD ARG 870 -2.706 -10.891 -7.724 288 2HD ARG 870 2HD ARG 870 -3.223 -11.322 -6.080 289 HE ARG 870 HE ARG 870 -5.565 -11.285 -7.560 290 1HH1 ARG 870 2HH2 ARG 870 -2.440 -12.925 -7.763 291 2HH1 ARG 870 1HH2 ARG 870 -3.087 -14.357 -8.531 292 1HH2 ARG 870 2HH1 ARG 870 -6.420 -13.177 -8.574 293 2HH2 ARG 870 1HH1 ARG 870 -5.357 -14.501 -8.993 294 H TYR 871 H TYR 871 -3.426 -6.286 -3.406 295 HA TYR 871 HA TYR 871 -5.642 -4.895 -4.705 296 1HB TYR 871 1HB TYR 871 -5.632 -5.689 -2.315 297 2HB TYR 871 2HB TYR 871 -4.403 -4.461 -1.970 298 HD1 TYR 871 1HD TYR 871 -5.348 -2.769 -0.700 299 HD2 TYR 871 2HD TYR 871 -7.562 -4.386 -4.007 300 HE1 TYR 871 1HE TYR 871 -7.133 -1.088 -0.327 301 HE2 TYR 871 2HE TYR 871 -9.347 -2.704 -3.635 302 HH TYR 871 HH TYR 871 -9.893 -1.067 -0.997 303 H PHE 872 H PHE 872 -2.797 -3.695 -2.833 304 HA PHE 872 HA PHE 872 -2.870 -1.069 -3.739 305 1HB PHE 872 1HB PHE 872 -1.428 -1.959 -1.930 306 2HB PHE 872 2HB PHE 872 -0.420 -2.763 -3.144 307 HD1 PHE 872 1HD PHE 872 0.243 -0.991 -5.163 308 HD2 PHE 872 2HD PHE 872 -0.512 -0.038 -1.043 309 HE1 PHE 872 1HE PHE 872 1.614 1.064 -5.387 310 HE2 PHE 872 2HE PHE 872 0.859 2.017 -1.267 311 HZ PHE 872 HZ PHE 872 1.921 2.568 -3.439 312 H VAL 873 H VAL 873 -0.143 -3.060 -4.866 313 HA VAL 873 HA VAL 873 0.537 -1.799 -7.127 314 HB VAL 873 HB VAL 873 1.743 -3.752 -6.637 315 1HG1 VAL 873 1HG1 VAL 873 0.250 -5.000 -5.290 316 2HG1 VAL 873 2HG1 VAL 873 -0.991 -5.060 -6.565 317 3HG1 VAL 873 3HG1 VAL 873 0.492 -6.032 -6.720 318 1HG2 VAL 873 1HG2 VAL 873 1.862 -4.835 -8.697 319 2HG2 VAL 873 2HG2 VAL 873 0.093 -4.889 -8.888 320 3HG2 VAL 873 3HG2 VAL 873 0.970 -3.362 -9.148 321 H ALA 874 H ALA 874 -2.412 -3.736 -6.709 322 HA ALA 874 HA ALA 874 -3.179 -3.827 -9.446 323 1HB ALA 874 1HB ALA 874 -5.542 -3.793 -8.012 324 2HB ALA 874 2HB ALA 874 -4.556 -5.238 -8.337 325 3HB ALA 874 3HB ALA 874 -4.367 -4.358 -6.801 326 H PHE 875 H PHE 875 -4.335 -1.667 -6.787 327 HA PHE 875 HA PHE 875 -6.019 0.024 -7.942 328 1HB PHE 875 1HB PHE 875 -3.506 0.958 -6.517 329 2HB PHE 875 2HB PHE 875 -5.006 1.882 -6.697 330 HD1 PHE 875 1HD PHE 875 -4.446 1.891 -4.071 331 HD2 PHE 875 2HD PHE 875 -5.902 -1.484 -6.294 332 HE1 PHE 875 1HE PHE 875 -5.312 0.885 -1.976 333 HE2 PHE 875 2HE PHE 875 -6.768 -2.491 -4.199 334 HZ PHE 875 HZ PHE 875 -6.473 -1.306 -2.040 335 H ASP 876 H ASP 876 -2.488 0.086 -8.615 336 HA ASP 876 HA ASP 876 -2.276 0.431 -11.202 337 1HB ASP 876 1HB ASP 876 -3.826 2.752 -10.162 338 2HB ASP 876 2HB ASP 876 -2.553 3.123 -11.344 339 H GLY 877 H GLY 877 -1.119 0.698 -8.241 340 1HA GLY 877 1HA GLY 877 1.064 2.607 -8.827 341 2HA GLY 877 2HA GLY 877 0.708 1.843 -7.261 342 H ASP 878 H ASP 878 2.749 0.975 -6.879 343 HA ASP 878 HA ASP 878 3.357 -1.451 -8.404 344 1HB ASP 878 1HB ASP 878 4.972 1.064 -8.545 345 2HB ASP 878 2HB ASP 878 5.852 -0.475 -8.417 346 H LEU 879 H LEU 879 4.972 -2.786 -7.304 347 HA LEU 879 HA LEU 879 5.447 -1.971 -4.484 348 1HB LEU 879 1HB LEU 879 3.880 -4.255 -5.541 349 2HB LEU 879 2HB LEU 879 5.068 -4.674 -4.283 350 HG LEU 879 HG LEU 879 4.070 -3.259 -2.690 351 1HD1 LEU 879 1HD1 LEU 879 2.260 -1.580 -3.453 352 2HD1 LEU 879 2HD1 LEU 879 3.949 -1.191 -3.862 353 3HD1 LEU 879 3HD1 LEU 879 2.865 -1.865 -5.103 354 1HD2 LEU 879 1HD2 LEU 879 2.451 -4.883 -2.700 355 2HD2 LEU 879 2HD2 LEU 879 1.438 -3.555 -3.313 356 3HD2 LEU 879 3HD2 LEU 879 2.156 -4.724 -4.448 357 H VAL 880 H VAL 880 7.499 -2.306 -3.822 358 HA VAL 880 HA VAL 880 9.233 -3.947 -5.608 359 HB VAL 880 HB VAL 880 10.617 -2.109 -3.809 360 1HG1 VAL 880 1HG1 VAL 880 11.985 -1.929 -5.633 361 2HG1 VAL 880 2HG1 VAL 880 11.079 -3.353 -6.199 362 3HG1 VAL 880 3HG1 VAL 880 10.622 -1.727 -6.760 363 1HG2 VAL 880 1HG2 VAL 880 8.966 -0.495 -3.916 364 2HG2 VAL 880 2HG2 VAL 880 9.788 -0.156 -5.458 365 3HG2 VAL 880 3HG2 VAL 880 8.297 -1.129 -5.439 366 H GLN 881 H GLN 881 10.589 -5.478 -4.693 367 HA GLN 881 HA GLN 881 9.759 -6.567 -2.171 368 1HB GLN 881 1HB GLN 881 12.286 -7.175 -3.747 369 2HB GLN 881 2HB GLN 881 11.450 -8.234 -2.586 370 1HG GLN 881 1HG GLN 881 9.994 -8.946 -4.157 371 2HG GLN 881 2HG GLN 881 9.640 -7.283 -4.674 372 1HE2 GLN 881 1HE2 GLN 881 10.613 -6.443 -6.503 373 2HE2 GLN 881 2HE2 GLN 881 11.704 -7.356 -7.523 374 H GLU 882 H GLU 882 10.555 -6.279 -0.148 375 HA GLU 882 HA GLU 882 11.750 -4.144 0.852 376 1HB GLU 882 1HB GLU 882 11.173 -6.202 2.140 377 2HB GLU 882 2HB GLU 882 12.686 -6.948 1.574 378 1HG GLU 882 1HG GLU 882 13.729 -4.670 2.502 379 2HG GLU 882 2HG GLU 882 12.268 -4.693 3.513 380 H PHE 883 H PHE 883 13.934 -6.903 0.060 381 HA PHE 883 HA PHE 883 16.253 -5.244 -0.028 382 1HB PHE 883 1HB PHE 883 17.376 -7.210 -0.825 383 2HB PHE 883 2HB PHE 883 16.196 -7.707 0.400 384 HD1 PHE 883 1HD PHE 883 17.155 -7.881 -3.129 385 HD2 PHE 883 2HD PHE 883 14.129 -8.892 -0.253 386 HE1 PHE 883 1HE PHE 883 16.159 -9.483 -4.739 387 HE2 PHE 883 2HE PHE 883 13.133 -10.493 -1.863 388 HZ PHE 883 HZ PHE 883 14.149 -10.789 -4.107 389 H ASP 884 H ASP 884 13.736 -4.767 -1.878 390 HA ASP 884 HA ASP 884 15.384 -4.001 -4.208 391 1HB ASP 884 1HB ASP 884 12.862 -5.692 -4.318 392 2HB ASP 884 2HB ASP 884 13.571 -4.869 -5.724 393 H MET 885 H MET 885 15.160 -1.841 -3.508 394 HA MET 885 HA MET 885 12.511 -0.698 -4.123 395 1HB MET 885 1HB MET 885 13.098 0.796 -1.953 396 2HB MET 885 2HB MET 885 12.096 -0.673 -1.870 397 1HG MET 885 1HG MET 885 14.291 -1.954 -1.519 398 2HG MET 885 2HG MET 885 15.049 -0.375 -1.252 399 1HE MET 885 1HE MET 885 12.246 -2.821 1.298 400 2HE MET 885 2HE MET 885 11.300 -1.618 0.390 401 3HE MET 885 3HE MET 885 12.359 -2.755 -0.477 402 H THR 886 H THR 886 15.985 -0.339 -3.443 403 HA THR 886 HA THR 886 16.918 2.006 -3.676 404 HB THR 886 HB THR 886 18.494 1.414 -5.316 405 HG1 THR 886 1HG THR 886 16.616 -0.369 -6.464 406 1HG2 THR 886 1HG2 THR 886 18.181 -0.278 -3.423 407 2HG2 THR 886 2HG2 THR 886 17.288 -1.282 -4.590 408 3HG2 THR 886 3HG2 THR 886 19.000 -0.893 -4.879 409 H SER 887 H SER 887 14.994 0.795 -6.477 410 HA SER 887 HA SER 887 14.691 3.589 -7.399 411 1HB SER 887 1HB SER 887 14.653 0.903 -8.617 412 2HB SER 887 2HB SER 887 13.350 1.972 -9.191 413 HG SER 887 HG SER 887 15.827 3.160 -8.947 414 H ALA 888 H ALA 888 13.093 1.204 -5.527 415 HA ALA 888 HA ALA 888 10.415 1.415 -6.106 416 1HB ALA 888 1HB ALA 888 11.948 1.252 -3.511 417 2HB ALA 888 2HB ALA 888 10.172 1.368 -3.498 418 3HB ALA 888 3HB ALA 888 10.969 0.006 -4.322 419 H THR 889 H THR 889 8.814 2.675 -4.483 420 HA THR 889 HA THR 889 9.665 5.529 -4.468 421 HB THR 889 HB THR 889 7.941 4.526 -6.313 422 HG1 THR 889 1HG THR 889 7.848 6.576 -6.712 423 1HG2 THR 889 1HG2 THR 889 6.491 4.016 -4.112 424 2HG2 THR 889 2HG2 THR 889 6.025 5.719 -4.335 425 3HG2 THR 889 3HG2 THR 889 5.730 4.538 -5.634 426 H HIS 890 H HIS 890 7.483 2.988 -3.200 427 HA HIS 890 HA HIS 890 7.357 4.548 -0.665 428 1HB HIS 890 1HB HIS 890 5.171 3.151 -2.212 429 2HB HIS 890 2HB HIS 890 5.043 3.394 -0.460 430 HD1 HIS 890 1HD HIS 890 6.300 5.935 -3.121 431 HD2 HIS 890 2HD HIS 890 3.323 5.332 -0.207 432 HE1 HIS 890 1HE HIS 890 4.962 8.110 -2.975 433 H VAL 891 H VAL 891 6.879 3.155 1.246 434 HA VAL 891 HA VAL 891 7.494 0.301 0.909 435 HB VAL 891 HB VAL 891 9.306 0.540 2.708 436 1HG1 VAL 891 1HG1 VAL 891 10.715 0.265 0.966 437 2HG1 VAL 891 2HG1 VAL 891 9.370 0.708 -0.111 438 3HG1 VAL 891 3HG1 VAL 891 10.501 1.958 0.461 439 1HG2 VAL 891 1HG2 VAL 891 9.093 3.429 1.759 440 2HG2 VAL 891 2HG2 VAL 891 8.791 2.831 3.408 441 3HG2 VAL 891 3HG2 VAL 891 10.435 2.774 2.728 442 H LEU 892 H LEU 892 6.290 -0.859 2.303 443 HA LEU 892 HA LEU 892 4.661 0.569 4.257 444 1HB LEU 892 1HB LEU 892 4.351 -1.707 2.693 445 2HB LEU 892 2HB LEU 892 4.611 -2.368 4.325 446 HG LEU 892 HG LEU 892 2.860 -0.056 4.453 447 1HD1 LEU 892 1HD1 LEU 892 1.914 -0.373 2.367 448 2HD1 LEU 892 2HD1 LEU 892 2.350 -2.098 2.314 449 3HD1 LEU 892 3HD1 LEU 892 0.963 -1.560 3.291 450 1HD2 LEU 892 1HD2 LEU 892 2.654 -1.501 6.245 451 2HD2 LEU 892 2HD2 LEU 892 1.332 -2.123 5.229 452 3HD2 LEU 892 3HD2 LEU 892 2.909 -2.950 5.243 453 H GLY 893 H GLY 893 5.291 0.979 6.287 454 1HA GLY 893 1HA GLY 893 6.428 0.828 8.277 455 2HA GLY 893 2HA GLY 893 6.360 -0.934 8.050 456 H SER 894 H SER 894 8.416 1.694 8.402 457 HA SER 894 HA SER 894 10.718 1.767 8.396 458 1HB SER 894 1HB SER 894 10.267 -1.077 7.512 459 2HB SER 894 2HB SER 894 11.890 -0.360 7.371 460 HG SER 894 HG SER 894 10.410 -1.017 9.622 461 H ARG 895 H ARG 895 12.562 1.903 6.772 462 HA ARG 895 HA ARG 895 11.607 2.096 3.978 463 1HB ARG 895 1HB ARG 895 12.708 4.372 3.840 464 2HB ARG 895 2HB ARG 895 11.216 4.323 4.809 465 1HG ARG 895 1HG ARG 895 12.392 4.439 6.851 466 2HG ARG 895 2HG ARG 895 13.921 3.912 6.107 467 1HD ARG 895 1HD ARG 895 14.456 6.013 5.427 468 2HD ARG 895 2HD ARG 895 12.789 6.381 4.937 469 HE ARG 895 HE ARG 895 12.436 7.385 6.986 470 1HH1 ARG 895 2HH2 ARG 895 15.285 5.296 7.132 471 2HH1 ARG 895 1HH2 ARG 895 15.746 5.808 8.740 472 1HH2 ARG 895 2HH1 ARG 895 13.046 8.060 9.110 473 2HH2 ARG 895 1HH1 ARG 895 14.470 7.384 9.868 474 H ASP 896 H ASP 896 14.187 1.965 6.399 475 HA ASP 896 HA ASP 896 16.560 2.137 5.450 476 1HB ASP 896 1HB ASP 896 16.319 0.672 7.291 477 2HB ASP 896 2HB ASP 896 15.318 -0.467 6.365 478 H LYS 897 H LYS 897 15.118 -0.960 4.349 479 HA LYS 897 HA LYS 897 16.644 -1.580 2.247 480 1HB LYS 897 1HB LYS 897 14.029 -1.806 1.179 481 2HB LYS 897 2HB LYS 897 14.960 -3.051 2.047 482 1HG LYS 897 1HG LYS 897 12.998 -2.864 3.339 483 2HG LYS 897 2HG LYS 897 14.146 -1.812 4.204 484 1HD LYS 897 1HD LYS 897 13.218 0.089 2.690 485 2HD LYS 897 2HD LYS 897 11.872 -1.027 2.360 486 1HE LYS 897 1HE LYS 897 11.991 -1.254 5.056 487 2HE LYS 897 2HE LYS 897 12.603 0.405 4.877 488 1HZ LYS 897 1HZ LYS 897 10.135 0.062 5.088 489 2HZ LYS 897 2HZ LYS 897 10.659 1.063 3.886 490 3HZ LYS 897 3HZ LYS 897 10.168 -0.470 3.527 491 H ASN 898 H ASN 898 14.378 1.156 2.335 492 HA ASN 898 HA ASN 898 15.775 2.381 0.093 493 1HB ASN 898 1HB ASN 898 13.502 0.770 -0.437 494 2HB ASN 898 2HB ASN 898 12.960 2.458 -0.560 495 1HD2 ASN 898 1HD2 ASN 898 12.854 2.839 -2.727 496 2HD2 ASN 898 2HD2 ASN 898 14.182 2.603 -3.843 497 HA PRO 899 HA PRO 899 14.327 5.411 3.145 498 1HB PRO 899 1HB PRO 899 16.406 7.143 2.825 499 2HB PRO 899 2HB PRO 899 16.590 5.601 3.723 500 1HG PRO 899 1HG PRO 899 17.259 6.124 0.813 501 2HG PRO 899 2HG PRO 899 18.324 5.399 2.061 502 1HD PRO 899 1HD PRO 899 16.878 3.846 0.350 503 2HD PRO 899 2HD PRO 899 17.051 3.382 2.069 504 H ALA 900 H ALA 900 14.824 5.360 -0.259 505 HA ALA 900 HA ALA 900 13.918 8.125 -0.672 506 1HB ALA 900 1HB ALA 900 15.548 7.445 -2.235 507 2HB ALA 900 2HB ALA 900 14.800 5.844 -2.456 508 3HB ALA 900 3HB ALA 900 14.014 7.294 -3.126 509 H ALA 901 H ALA 901 12.473 5.247 0.171 510 HA ALA 901 HA ALA 901 10.103 5.605 -1.550 511 1HB ALA 901 1HB ALA 901 9.356 3.502 -0.530 512 2HB ALA 901 2HB ALA 901 11.018 3.332 -1.145 513 3HB ALA 901 3HB ALA 901 10.731 3.542 0.600 514 H GLN 902 H GLN 902 8.264 4.560 0.466 515 HA GLN 902 HA GLN 902 8.152 6.883 2.328 516 1HB GLN 902 1HB GLN 902 6.074 5.776 0.444 517 2HB GLN 902 2HB GLN 902 5.571 6.547 1.967 518 1HG GLN 902 1HG GLN 902 7.335 7.789 -0.184 519 2HG GLN 902 2HG GLN 902 5.639 8.202 0.148 520 1HE2 GLN 902 1HE2 GLN 902 5.954 7.914 3.084 521 2HE2 GLN 902 2HE2 GLN 902 6.835 9.330 3.615 522 H GLN 903 H GLN 903 7.759 6.370 4.421 523 HA GLN 903 HA GLN 903 7.492 3.514 5.066 524 1HB GLN 903 1HB GLN 903 7.998 6.016 6.716 525 2HB GLN 903 2HB GLN 903 7.831 4.388 7.417 526 1HG GLN 903 1HG GLN 903 10.005 4.020 6.974 527 2HG GLN 903 2HG GLN 903 9.635 4.138 5.240 528 1HE2 GLN 903 1HE2 GLN 903 10.004 6.105 4.120 529 2HE2 GLN 903 2HE2 GLN 903 10.988 7.382 4.801 530 H VAL 904 H VAL 904 5.227 3.818 3.936 531 HA VAL 904 HA VAL 904 3.210 5.038 5.664 532 HB VAL 904 HB VAL 904 1.920 4.954 3.809 533 1HG1 VAL 904 1HG1 VAL 904 4.217 3.733 2.277 534 2HG1 VAL 904 2HG1 VAL 904 3.134 5.067 1.812 535 3HG1 VAL 904 3HG1 VAL 904 4.410 5.337 3.023 536 1HG2 VAL 904 1HG2 VAL 904 1.307 2.641 4.119 537 2HG2 VAL 904 2HG2 VAL 904 1.754 2.837 2.407 538 3HG2 VAL 904 3HG2 VAL 904 2.897 2.083 3.545 539 H SER 905 H SER 905 1.207 3.643 6.175 540 HA SER 905 HA SER 905 2.086 0.934 7.049 541 1HB SER 905 1HB SER 905 1.410 1.307 9.202 542 2HB SER 905 2HB SER 905 1.791 2.994 8.780 543 HG SER 905 HG SER 905 -0.272 3.456 8.703 544 HA PRO 906 HA PRO 906 -1.863 -0.611 5.807 545 1HB PRO 906 1HB PRO 906 -3.244 -1.520 7.972 546 2HB PRO 906 2HB PRO 906 -1.677 -2.241 7.479 547 1HG PRO 906 1HG PRO 906 -2.136 -0.100 9.576 548 2HG PRO 906 2HG PRO 906 -1.228 -1.635 9.769 549 1HD PRO 906 1HD PRO 906 0.043 0.704 9.184 550 2HD PRO 906 2HD PRO 906 0.558 -0.826 8.412 551 H GLU 907 H GLU 907 -2.038 1.812 8.394 552 HA GLU 907 HA GLU 907 -4.823 2.429 8.051 553 1HB GLU 907 1HB GLU 907 -2.453 3.843 9.302 554 2HB GLU 907 2HB GLU 907 -4.067 4.591 9.235 555 1HG GLU 907 1HG GLU 907 -4.637 3.415 11.065 556 2HG GLU 907 2HG GLU 907 -4.470 1.925 10.112 557 H TRP 908 H TRP 908 -1.818 3.438 6.477 558 HA TRP 908 HA TRP 908 -2.870 5.773 5.204 559 1HB TRP 908 1HB TRP 908 -0.474 5.311 5.482 560 2HB TRP 908 2HB TRP 908 -0.612 3.906 4.415 561 HD1 TRP 908 HD TRP 908 -0.821 7.741 4.324 562 HE1 TRP 908 1HE TRP 908 -0.271 8.574 1.981 563 HE3 TRP 908 3HE TRP 908 -0.472 3.232 1.926 564 HZ2 TRP 908 2HZ TRP 908 0.258 7.431 -0.625 565 HZ3 TRP 908 3HZ TRP 908 0.055 3.145 -0.482 566 HH2 TRP 908 HH TRP 908 0.422 5.229 -1.770 567 H ILE 909 H ILE 909 -2.232 2.456 3.922 568 HA ILE 909 HA ILE 909 -3.264 2.700 1.394 569 HB ILE 909 HB ILE 909 -3.120 0.507 3.412 570 1HG1 ILE 909 1HG1 ILE 909 -2.439 -0.140 0.672 571 2HG1 ILE 909 2HG1 ILE 909 -1.715 1.424 1.117 572 1HG2 ILE 909 1HG2 ILE 909 -4.654 0.176 0.804 573 2HG2 ILE 909 2HG2 ILE 909 -4.410 -1.038 2.083 574 3HG2 ILE 909 3HG2 ILE 909 -5.445 0.378 2.386 575 1HD1 ILE 909 1HD1 ILE 909 -1.506 -1.123 2.778 576 2HD1 ILE 909 2HD1 ILE 909 -0.241 -0.522 1.680 577 3HD1 ILE 909 3HD1 ILE 909 -0.703 0.430 3.111 578 H TRP 910 H TRP 910 -5.159 1.967 4.376 579 HA TRP 910 HA TRP 910 -7.686 1.898 3.101 580 1HB TRP 910 1HB TRP 910 -7.115 2.836 5.921 581 2HB TRP 910 2HB TRP 910 -8.593 2.082 5.308 582 HD1 TRP 910 HD TRP 910 -5.994 1.236 7.496 583 HE1 TRP 910 1HE TRP 910 -5.444 -1.249 7.580 584 HE3 TRP 910 3HE TRP 910 -8.265 -0.240 3.153 585 HZ2 TRP 910 2HZ TRP 910 -5.925 -3.601 5.965 586 HZ3 TRP 910 3HZ TRP 910 -8.198 -2.608 2.460 587 HH2 TRP 910 HH TRP 910 -7.035 -4.297 3.850 588 H ALA 911 H ALA 911 -6.525 4.523 5.281 589 HA ALA 911 HA ALA 911 -8.370 6.450 4.612 590 1HB ALA 911 1HB ALA 911 -5.401 6.929 5.075 591 2HB ALA 911 2HB ALA 911 -6.725 8.086 5.352 592 3HB ALA 911 3HB ALA 911 -6.593 6.627 6.362 593 H CYS 912 H CYS 912 -5.616 5.313 2.715 594 HA CYS 912 HA CYS 912 -5.668 7.499 0.825 595 1HB CYS 912 1HB CYS 912 -4.498 4.692 0.648 596 2HB CYS 912 2HB CYS 912 -4.157 6.031 -0.477 597 HG CYS 912 HG CYS 912 -4.003 6.964 2.547 598 H ILE 913 H ILE 913 -6.141 4.037 0.024 599 HA ILE 913 HA ILE 913 -7.589 4.324 -2.272 600 HB ILE 913 HB ILE 913 -6.919 2.147 -1.497 601 1HG1 ILE 913 1HG1 ILE 913 -9.961 2.334 -1.410 602 2HG1 ILE 913 2HG1 ILE 913 -8.981 2.264 -2.894 603 1HG2 ILE 913 1HG2 ILE 913 -8.016 3.102 0.982 604 2HG2 ILE 913 2HG2 ILE 913 -8.849 1.590 0.549 605 3HG2 ILE 913 3HG2 ILE 913 -7.075 1.620 0.687 606 1HD1 ILE 913 1HD1 ILE 913 -8.296 0.146 -0.969 607 2HD1 ILE 913 2HD1 ILE 913 -9.990 0.069 -1.509 608 3HD1 ILE 913 3HD1 ILE 913 -8.672 0.027 -2.705 609 H ARG 914 H ARG 914 -8.802 4.627 1.071 610 HA ARG 914 HA ARG 914 -11.569 4.854 0.305 611 1HB ARG 914 1HB ARG 914 -10.447 4.271 2.609 612 2HB ARG 914 2HB ARG 914 -10.408 6.037 2.824 613 1HG ARG 914 1HG ARG 914 -12.984 5.037 1.791 614 2HG ARG 914 2HG ARG 914 -12.572 4.400 3.401 615 1HD ARG 914 1HD ARG 914 -11.854 7.102 3.531 616 2HD ARG 914 2HD ARG 914 -13.372 7.106 2.609 617 HE ARG 914 HE ARG 914 -13.019 6.444 5.426 618 1HH1 ARG 914 2HH2 ARG 914 -15.014 6.039 2.535 619 2HH1 ARG 914 1HH2 ARG 914 -16.478 5.691 3.428 620 1HH2 ARG 914 2HH1 ARG 914 -14.952 5.984 6.605 621 2HH2 ARG 914 1HH1 ARG 914 -16.442 5.660 5.748 622 H LYS 915 H LYS 915 -8.827 7.055 0.521 623 HA LYS 915 HA LYS 915 -10.590 9.408 0.289 624 1HB LYS 915 1HB LYS 915 -7.612 8.985 0.665 625 2HB LYS 915 2HB LYS 915 -8.298 10.582 0.282 626 1HG LYS 915 1HG LYS 915 -9.324 8.876 2.579 627 2HG LYS 915 2HG LYS 915 -7.994 10.043 2.777 628 1HD LYS 915 1HD LYS 915 -9.394 11.887 2.165 629 2HD LYS 915 2HD LYS 915 -10.676 10.807 1.566 630 1HE LYS 915 1HE LYS 915 -11.612 10.934 3.611 631 2HE LYS 915 2HE LYS 915 -10.234 9.988 4.216 632 1HZ LYS 915 1HZ LYS 915 -9.679 11.735 5.374 633 2HZ LYS 915 2HZ LYS 915 -9.397 12.587 3.990 634 3HZ LYS 915 3HZ LYS 915 -10.879 12.652 4.712 635 H ARG 916 H ARG 916 -9.413 7.072 -1.753 636 HA ARG 916 HA ARG 916 -9.062 6.956 -4.012 637 1HB ARG 916 1HB ARG 916 -10.857 9.364 -3.711 638 2HB ARG 916 2HB ARG 916 -10.236 8.902 -5.314 639 1HG ARG 916 1HG ARG 916 -12.390 7.814 -4.969 640 2HG ARG 916 2HG ARG 916 -11.111 6.577 -4.917 641 1HD ARG 916 1HD ARG 916 -12.677 6.212 -3.074 642 2HD ARG 916 2HD ARG 916 -11.104 6.729 -2.429 643 HE ARG 916 HE ARG 916 -12.333 9.097 -2.564 644 1HH1 ARG 916 2HH2 ARG 916 -13.553 5.952 -1.504 645 2HH1 ARG 916 1HH2 ARG 916 -14.692 6.627 -0.360 646 1HH2 ARG 916 2HH1 ARG 916 -13.838 9.988 -1.054 647 2HH2 ARG 916 1HH1 ARG 916 -14.854 8.928 -0.104 648 H ARG 917 H ARG 917 -7.526 9.072 -2.073 649 HA ARG 917 HA ARG 917 -5.638 9.813 -4.208 650 1HB ARG 917 1HB ARG 917 -5.754 12.112 -3.898 651 2HB ARG 917 2HB ARG 917 -7.467 11.661 -3.720 652 1HG ARG 917 1HG ARG 917 -7.081 13.029 -1.840 653 2HG ARG 917 2HG ARG 917 -6.886 11.385 -1.185 654 1HD ARG 917 1HD ARG 917 -4.795 11.908 -0.548 655 2HD ARG 917 2HD ARG 917 -4.360 12.166 -2.251 656 HE ARG 917 HE ARG 917 -5.038 14.221 -0.255 657 1HH1 ARG 917 2HH2 ARG 917 -4.473 13.370 -3.640 658 2HH1 ARG 917 1HH2 ARG 917 -4.138 15.013 -4.139 659 1HH2 ARG 917 2HH1 ARG 917 -4.596 16.391 -0.915 660 2HH2 ARG 917 1HH1 ARG 917 -4.208 16.735 -2.586 661 H LEU 918 H LEU 918 -3.669 9.246 -3.513 662 HA LEU 918 HA LEU 918 -2.988 8.132 -1.128 663 1HB LEU 918 1HB LEU 918 -1.439 9.863 -3.056 664 2HB LEU 918 2HB LEU 918 -0.661 9.247 -1.578 665 HG LEU 918 HG LEU 918 -0.279 7.337 -2.731 666 1HD1 LEU 918 1HD1 LEU 918 -3.316 7.196 -2.548 667 2HD1 LEU 918 2HD1 LEU 918 -2.286 5.825 -3.027 668 3HD1 LEU 918 3HD1 LEU 918 -2.134 6.526 -1.398 669 1HD2 LEU 918 1HD2 LEU 918 -1.478 6.884 -4.935 670 2HD2 LEU 918 2HD2 LEU 918 -2.321 8.434 -4.701 671 3HD2 LEU 918 3HD2 LEU 918 -0.550 8.402 -4.873 672 H VAL 919 H VAL 919 -2.929 8.728 0.956 673 HA VAL 919 HA VAL 919 -3.164 11.622 1.562 674 HB VAL 919 HB VAL 919 -4.305 11.011 3.479 675 1HG1 VAL 919 1HG1 VAL 919 -5.999 9.978 2.412 676 2HG1 VAL 919 2HG1 VAL 919 -4.876 9.456 1.134 677 3HG1 VAL 919 3HG1 VAL 919 -5.143 8.424 2.560 678 1HG2 VAL 919 1HG2 VAL 919 -2.409 9.664 4.380 679 2HG2 VAL 919 2HG2 VAL 919 -3.982 8.881 4.662 680 3HG2 VAL 919 3HG2 VAL 919 -2.919 8.298 3.359 681 H ALA 920 H ALA 920 -2.235 11.633 4.175 682 HA ALA 920 HA ALA 920 0.583 11.859 3.763 683 1HB ALA 920 1HB ALA 920 0.489 12.976 5.724 684 2HB ALA 920 2HB ALA 920 -1.276 12.776 5.607 685 3HB ALA 920 3HB ALA 920 -0.310 11.620 6.555 686 HA PRO 921 HA PRO 921 1.370 7.487 4.369 687 1HB PRO 921 1HB PRO 921 3.973 7.538 3.568 688 2HB PRO 921 2HB PRO 921 2.622 7.726 2.403 689 1HG PRO 921 1HG PRO 921 4.226 9.931 3.728 690 2HG PRO 921 2HG PRO 921 3.906 9.721 1.975 691 1HD PRO 921 1HD PRO 921 2.370 11.365 3.513 692 2HD PRO 921 2HD PRO 921 1.620 10.341 2.251 693 H CYS 922 H CYS 922 1.861 6.570 6.287 694 HA CYS 922 HA CYS 922 4.177 7.275 7.819 695 1HB CYS 922 1HB CYS 922 2.706 8.035 9.841 696 2HB CYS 922 2HB CYS 922 3.098 9.224 8.574 697 HG CYS 922 HG CYS 922 0.587 7.293 7.981 Start of MODEL 9 1 H GLY 835 H GLY 835 -9.407 -6.859 9.950 2 1HA GLY 835 1HA GLY 835 -11.134 -6.538 11.635 3 2HA GLY 835 2HA GLY 835 -10.133 -5.259 12.360 4 H SER 836 H SER 836 -9.462 -4.518 9.382 5 HA SER 836 HA SER 836 -11.987 -3.007 8.897 6 1HB SER 836 1HB SER 836 -10.467 -1.218 7.968 7 2HB SER 836 2HB SER 836 -10.317 -1.473 9.723 8 HG SER 836 HG SER 836 -8.271 -1.515 9.028 9 H ALA 837 H ALA 837 -8.993 -4.368 7.441 10 HA ALA 837 HA ALA 837 -9.466 -4.028 4.766 11 1HB ALA 837 1HB ALA 837 -7.579 -5.298 6.010 12 2HB ALA 837 2HB ALA 837 -8.632 -6.725 5.859 13 3HB ALA 837 3HB ALA 837 -8.057 -5.885 4.399 14 H ASP 838 H ASP 838 -10.572 -6.949 6.587 15 HA ASP 838 HA ASP 838 -12.134 -8.109 4.641 16 1HB ASP 838 1HB ASP 838 -11.953 -8.148 7.546 17 2HB ASP 838 2HB ASP 838 -13.633 -8.361 7.007 18 H GLU 839 H GLU 839 -12.945 -5.327 6.733 19 HA GLU 839 HA GLU 839 -15.667 -5.167 5.730 20 1HB GLU 839 1HB GLU 839 -13.991 -3.876 7.755 21 2HB GLU 839 2HB GLU 839 -14.999 -2.707 6.868 22 1HG GLU 839 1HG GLU 839 -16.502 -5.126 7.480 23 2HG GLU 839 2HG GLU 839 -15.815 -4.419 8.959 24 H THR 840 H THR 840 -12.503 -3.960 4.810 25 HA THR 840 HA THR 840 -13.575 -1.842 3.115 26 HB THR 840 HB THR 840 -10.786 -2.948 2.877 27 HG1 THR 840 1HG THR 840 -10.412 -1.433 4.723 28 1HG2 THR 840 1HG2 THR 840 -11.933 -0.126 3.004 29 2HG2 THR 840 2HG2 THR 840 -10.265 -0.575 2.577 30 3HG2 THR 840 3HG2 THR 840 -11.610 -1.023 1.501 31 H LEU 841 H LEU 841 -12.028 -5.061 2.653 32 HA LEU 841 HA LEU 841 -12.299 -5.018 -0.202 33 1HB LEU 841 1HB LEU 841 -11.684 -7.084 1.904 34 2HB LEU 841 2HB LEU 841 -12.028 -7.602 0.237 35 HG LEU 841 HG LEU 841 -9.547 -6.900 1.082 36 1HD1 LEU 841 1HD1 LEU 841 -9.122 -7.381 -1.082 37 2HD1 LEU 841 2HD1 LEU 841 -10.879 -7.372 -1.366 38 3HD1 LEU 841 3HD1 LEU 841 -9.929 -5.888 -1.621 39 1HD2 LEU 841 1HD2 LEU 841 -9.505 -4.666 1.488 40 2HD2 LEU 841 2HD2 LEU 841 -9.572 -4.484 -0.281 41 3HD2 LEU 841 3HD2 LEU 841 -11.068 -4.404 0.679 42 H CYS 842 H CYS 842 -14.629 -5.057 2.170 43 HA CYS 842 HA CYS 842 -16.424 -7.085 1.443 44 1HB CYS 842 1HB CYS 842 -18.040 -5.839 2.635 45 2HB CYS 842 2HB CYS 842 -16.496 -5.354 3.378 46 HG CYS 842 HG CYS 842 -17.775 -3.192 3.224 47 H GLN 843 H GLN 843 -15.167 -4.654 -0.513 48 HA GLN 843 HA GLN 843 -17.570 -4.729 -2.278 49 1HB GLN 843 1HB GLN 843 -15.389 -2.645 -2.441 50 2HB GLN 843 2HB GLN 843 -17.080 -2.550 -2.990 51 1HG GLN 843 1HG GLN 843 -17.017 -3.112 -0.155 52 2HG GLN 843 2HG GLN 843 -15.999 -1.696 -0.497 53 1HE2 GLN 843 1HE2 GLN 843 -18.992 -2.467 0.488 54 2HE2 GLN 843 2HE2 GLN 843 -19.930 -1.181 -0.243 55 H THR 844 H THR 844 -16.492 -6.922 -2.795 56 HA THR 844 HA THR 844 -15.442 -8.182 -4.393 57 HB THR 844 HB THR 844 -16.032 -5.727 -5.659 58 HG1 THR 844 1HG THR 844 -15.771 -7.102 -7.520 59 1HG2 THR 844 1HG2 THR 844 -13.838 -4.927 -5.805 60 2HG2 THR 844 2HG2 THR 844 -13.141 -6.562 -5.905 61 3HG2 THR 844 3HG2 THR 844 -13.978 -5.863 -7.313 62 H LYS 845 H LYS 845 -13.447 -5.175 -4.389 63 HA LYS 845 HA LYS 845 -11.334 -6.502 -2.884 64 1HB LYS 845 1HB LYS 845 -11.366 -6.790 -5.699 65 2HB LYS 845 2HB LYS 845 -10.136 -5.553 -5.346 66 1HG LYS 845 1HG LYS 845 -8.923 -7.560 -5.148 67 2HG LYS 845 2HG LYS 845 -9.372 -7.207 -3.462 68 1HD LYS 845 1HD LYS 845 -11.465 -8.707 -4.859 69 2HD LYS 845 2HD LYS 845 -9.911 -9.574 -4.865 70 1HE LYS 845 1HE LYS 845 -9.849 -8.836 -2.321 71 2HE LYS 845 2HE LYS 845 -11.607 -8.698 -2.534 72 1HZ LYS 845 1HZ LYS 845 -10.097 -10.983 -2.156 73 2HZ LYS 845 2HZ LYS 845 -11.731 -10.852 -2.335 74 3HZ LYS 845 3HZ LYS 845 -10.772 -11.079 -3.657 75 H VAL 846 H VAL 846 -13.142 -3.877 -3.741 76 HA VAL 846 HA VAL 846 -12.836 -1.585 -3.654 77 HB VAL 846 HB VAL 846 -11.429 -1.079 -1.435 78 1HG1 VAL 846 1HG1 VAL 846 -13.477 -1.096 -0.316 79 2HG1 VAL 846 2HG1 VAL 846 -14.016 -1.124 -2.012 80 3HG1 VAL 846 3HG1 VAL 846 -13.988 -2.629 -1.062 81 1HG2 VAL 846 1HG2 VAL 846 -12.336 -3.712 -0.509 82 2HG2 VAL 846 2HG2 VAL 846 -11.037 -3.834 -1.720 83 3HG2 VAL 846 3HG2 VAL 846 -10.783 -2.886 -0.235 84 H LEU 847 H LEU 847 -11.654 -0.261 -4.891 85 HA LEU 847 HA LEU 847 -8.752 -0.151 -4.568 86 1HB LEU 847 1HB LEU 847 -9.856 -0.769 -7.322 87 2HB LEU 847 2HB LEU 847 -8.163 -0.795 -6.772 88 HG LEU 847 HG LEU 847 -9.110 -3.090 -6.984 89 1HD1 LEU 847 1HD1 LEU 847 -8.497 -2.091 -4.173 90 2HD1 LEU 847 2HD1 LEU 847 -8.581 -3.813 -4.614 91 3HD1 LEU 847 3HD1 LEU 847 -7.348 -2.764 -5.355 92 1HD2 LEU 847 1HD2 LEU 847 -11.337 -1.813 -5.667 93 2HD2 LEU 847 2HD2 LEU 847 -11.237 -3.459 -6.338 94 3HD2 LEU 847 3HD2 LEU 847 -10.758 -3.156 -4.651 95 H LEU 848 H LEU 848 -9.470 1.973 -3.827 96 HA LEU 848 HA LEU 848 -10.636 3.737 -5.873 97 1HB LEU 848 1HB LEU 848 -10.197 3.781 -2.928 98 2HB LEU 848 2HB LEU 848 -10.104 5.352 -3.760 99 HG LEU 848 HG LEU 848 -12.372 3.453 -4.376 100 1HD1 LEU 848 1HD1 LEU 848 -13.247 5.391 -2.478 101 2HD1 LEU 848 2HD1 LEU 848 -13.199 3.622 -2.287 102 3HD1 LEU 848 3HD1 LEU 848 -11.805 4.609 -1.788 103 1HD2 LEU 848 1HD2 LEU 848 -13.229 5.260 -5.453 104 2HD2 LEU 848 2HD2 LEU 848 -12.806 6.363 -4.121 105 3HD2 LEU 848 3HD2 LEU 848 -11.583 5.928 -5.339 106 H ASP 849 H ASP 849 -9.473 6.134 -5.491 107 HA ASP 849 HA ASP 849 -6.791 5.687 -6.627 108 1HB ASP 849 1HB ASP 849 -6.943 7.981 -7.345 109 2HB ASP 849 2HB ASP 849 -8.498 7.197 -7.700 110 H ILE 850 H ILE 850 -6.638 4.909 -4.071 111 HA ILE 850 HA ILE 850 -6.008 7.125 -2.294 112 HB ILE 850 HB ILE 850 -4.930 4.691 -1.312 113 1HG1 ILE 850 1HG1 ILE 850 -6.282 3.723 -3.280 114 2HG1 ILE 850 2HG1 ILE 850 -6.643 3.068 -1.665 115 1HG2 ILE 850 1HG2 ILE 850 -6.023 5.664 0.405 116 2HG2 ILE 850 2HG2 ILE 850 -6.973 6.675 -0.710 117 3HG2 ILE 850 3HG2 ILE 850 -7.541 5.042 -0.287 118 1HD1 ILE 850 1HD1 ILE 850 -8.260 4.982 -3.354 119 2HD1 ILE 850 2HD1 ILE 850 -8.788 3.510 -2.503 120 3HD1 ILE 850 3HD1 ILE 850 -8.436 4.993 -1.583 121 H PHE 851 H PHE 851 -3.870 4.322 -2.692 122 HA PHE 851 HA PHE 851 -1.504 5.825 -2.462 123 1HB PHE 851 1HB PHE 851 -1.665 3.254 -4.026 124 2HB PHE 851 2HB PHE 851 -0.385 3.823 -2.940 125 HD1 PHE 851 1HD PHE 851 -2.639 1.326 -3.207 126 HD2 PHE 851 2HD PHE 851 -1.642 4.481 -0.469 127 HE1 PHE 851 1HE PHE 851 -3.646 0.030 -1.347 128 HE2 PHE 851 2HE PHE 851 -2.649 3.186 1.391 129 HZ PHE 851 HZ PHE 851 -3.651 0.960 0.952 130 H THR 852 H THR 852 -3.607 6.580 -4.655 131 HA THR 852 HA THR 852 -2.869 6.307 -7.217 132 HB THR 852 HB THR 852 -4.352 8.141 -5.853 133 HG1 THR 852 1HG THR 852 -4.826 8.903 -7.896 134 1HG2 THR 852 1HG2 THR 852 -2.387 9.529 -5.323 135 2HG2 THR 852 2HG2 THR 852 -1.966 9.614 -7.050 136 3HG2 THR 852 3HG2 THR 852 -3.459 10.383 -6.459 137 H GLY 853 H GLY 853 -0.849 5.934 -7.971 138 1HA GLY 853 1HA GLY 853 1.311 6.390 -8.606 139 2HA GLY 853 2HA GLY 853 1.013 8.090 -8.177 140 H VAL 854 H VAL 854 0.567 5.444 -5.873 141 HA VAL 854 HA VAL 854 2.882 6.513 -4.336 142 HB VAL 854 HB VAL 854 0.243 5.258 -3.558 143 1HG1 VAL 854 1HG1 VAL 854 2.263 4.129 -2.420 144 2HG1 VAL 854 2HG1 VAL 854 2.564 5.705 -1.651 145 3HG1 VAL 854 3HG1 VAL 854 1.036 4.844 -1.347 146 1HG2 VAL 854 1HG2 VAL 854 1.744 7.831 -3.112 147 2HG2 VAL 854 2HG2 VAL 854 0.030 7.575 -3.520 148 3HG2 VAL 854 3HG2 VAL 854 0.604 7.275 -1.862 149 H ARG 855 H ARG 855 4.621 5.293 -4.910 150 HA ARG 855 HA ARG 855 4.281 2.383 -5.240 151 1HB ARG 855 1HB ARG 855 6.345 2.426 -6.326 152 2HB ARG 855 2HB ARG 855 5.695 4.035 -6.722 153 1HG ARG 855 1HG ARG 855 6.902 4.864 -4.601 154 2HG ARG 855 2HG ARG 855 7.762 3.306 -4.620 155 1HD ARG 855 1HD ARG 855 8.961 5.203 -5.806 156 2HD ARG 855 2HD ARG 855 8.690 3.751 -6.794 157 HE ARG 855 HE ARG 855 6.487 5.470 -7.192 158 1HH1 ARG 855 2HH2 ARG 855 9.976 5.384 -7.756 159 2HH1 ARG 855 1HH2 ARG 855 9.910 6.407 -9.174 160 1HH2 ARG 855 2HH1 ARG 855 6.400 6.822 -9.063 161 2HH2 ARG 855 1HH1 ARG 855 7.871 7.227 -9.919 162 H LEU 856 H LEU 856 3.904 1.623 -3.147 163 HA LEU 856 HA LEU 856 6.066 2.168 -1.173 164 1HB LEU 856 1HB LEU 856 4.488 2.111 0.470 165 2HB LEU 856 2HB LEU 856 3.376 2.490 -0.867 166 HG LEU 856 HG LEU 856 2.872 0.122 -1.180 167 1HD1 LEU 856 1HD1 LEU 856 5.275 -0.152 0.535 168 2HD1 LEU 856 2HD1 LEU 856 3.942 -1.255 0.950 169 3HD1 LEU 856 3HD1 LEU 856 4.620 -1.259 -0.696 170 1HD2 LEU 856 1HD2 LEU 856 1.932 1.616 0.828 171 2HD2 LEU 856 2HD2 LEU 856 1.493 -0.101 0.670 172 3HD2 LEU 856 3HD2 LEU 856 2.767 0.390 1.812 173 H TYR 857 H TYR 857 7.210 0.479 -0.276 174 HA TYR 857 HA TYR 857 7.170 -2.014 -1.772 175 1HB TYR 857 1HB TYR 857 9.325 -1.694 -1.213 176 2HB TYR 857 2HB TYR 857 8.911 -0.601 0.119 177 HD1 TYR 857 1HD TYR 857 9.969 -1.299 2.057 178 HD2 TYR 857 2HD TYR 857 8.179 -4.234 -0.520 179 HE1 TYR 857 1HE TYR 857 10.530 -3.078 3.692 180 HE2 TYR 857 2HE TYR 857 8.740 -6.012 1.115 181 HH TYR 857 HH TYR 857 10.605 -6.280 3.064 182 H LEU 858 H LEU 858 5.389 -3.261 -1.382 183 HA LEU 858 HA LEU 858 4.307 -3.532 1.306 184 1HB LEU 858 1HB LEU 858 2.933 -3.572 -0.800 185 2HB LEU 858 2HB LEU 858 3.694 -5.128 -1.210 186 HG LEU 858 HG LEU 858 2.430 -6.265 0.294 187 1HD1 LEU 858 1HD1 LEU 858 3.674 -5.504 2.210 188 2HD1 LEU 858 2HD1 LEU 858 2.926 -3.891 2.132 189 3HD1 LEU 858 3HD1 LEU 858 1.951 -5.302 2.607 190 1HD2 LEU 858 1HD2 LEU 858 0.682 -4.027 1.065 191 2HD2 LEU 858 2HD2 LEU 858 0.993 -4.088 -0.687 192 3HD2 LEU 858 3HD2 LEU 858 0.301 -5.502 0.144 193 HA PRO 859 HA PRO 859 7.289 -6.748 2.233 194 1HB PRO 859 1HB PRO 859 6.725 -6.920 4.893 195 2HB PRO 859 2HB PRO 859 7.592 -5.510 4.199 196 1HG PRO 859 1HG PRO 859 4.623 -5.745 4.769 197 2HG PRO 859 2HG PRO 859 5.733 -4.439 5.299 198 1HD PRO 859 1HD PRO 859 4.205 -4.182 3.056 199 2HD PRO 859 2HD PRO 859 5.891 -3.582 3.079 200 HA PRO 860 HA PRO 860 4.558 -10.206 1.898 201 1HB PRO 860 1HB PRO 860 6.296 -12.227 2.463 202 2HB PRO 860 2HB PRO 860 6.464 -11.221 0.988 203 1HG PRO 860 1HG PRO 860 7.890 -10.850 3.638 204 2HG PRO 860 2HG PRO 860 8.631 -10.946 2.007 205 1HD PRO 860 1HD PRO 860 8.077 -8.548 3.178 206 2HD PRO 860 2HD PRO 860 7.793 -8.790 1.428 207 H SER 861 H SER 861 6.365 -9.389 4.805 208 HA SER 861 HA SER 861 4.997 -11.342 6.479 209 1HB SER 861 1HB SER 861 7.250 -9.553 6.669 210 2HB SER 861 2HB SER 861 6.147 -9.254 8.033 211 HG SER 861 HG SER 861 7.776 -11.010 8.230 212 H THR 862 H THR 862 4.230 -8.311 5.092 213 HA THR 862 HA THR 862 2.673 -7.179 7.204 214 HB THR 862 HB THR 862 3.315 -6.631 4.440 215 HG1 THR 862 1HG THR 862 2.015 -5.051 6.407 216 1HG2 THR 862 1HG2 THR 862 1.059 -7.311 3.873 217 2HG2 THR 862 2HG2 THR 862 0.389 -6.416 5.258 218 3HG2 THR 862 3HG2 THR 862 1.102 -5.532 3.887 219 HA PRO 863 HA PRO 863 -0.843 -9.829 7.147 220 1HB PRO 863 1HB PRO 863 -2.632 -8.237 8.445 221 2HB PRO 863 2HB PRO 863 -1.181 -8.895 9.269 222 1HG PRO 863 1HG PRO 863 -1.486 -6.165 7.986 223 2HG PRO 863 2HG PRO 863 -0.917 -6.529 9.648 224 1HD PRO 863 1HD PRO 863 0.837 -6.122 7.602 225 2HD PRO 863 2HD PRO 863 1.146 -7.394 8.822 226 H ASP 864 H ASP 864 -2.508 -10.229 5.737 227 HA ASP 864 HA ASP 864 -4.062 -9.875 4.084 228 1HB ASP 864 1HB ASP 864 -4.031 -7.409 5.558 229 2HB ASP 864 2HB ASP 864 -4.146 -7.033 3.825 230 H PHE 865 H PHE 865 -0.956 -9.601 3.885 231 HA PHE 865 HA PHE 865 -0.150 -7.905 1.870 232 1HB PHE 865 1HB PHE 865 1.199 -9.621 3.167 233 2HB PHE 865 2HB PHE 865 0.603 -10.838 2.025 234 HD1 PHE 865 1HD PHE 865 2.062 -11.403 0.331 235 HD2 PHE 865 2HD PHE 865 2.104 -7.387 1.854 236 HE1 PHE 865 1HE PHE 865 3.897 -10.829 -1.234 237 HE2 PHE 865 2HE PHE 865 3.940 -6.813 0.289 238 HZ PHE 865 HZ PHE 865 4.836 -8.534 -1.256 239 H SER 866 H SER 866 -1.766 -11.099 1.493 240 HA SER 866 HA SER 866 -1.782 -11.657 -1.096 241 1HB SER 866 1HB SER 866 -3.290 -12.763 0.459 242 2HB SER 866 2HB SER 866 -4.286 -11.294 0.594 243 HG SER 866 HG SER 866 -4.743 -11.493 -1.626 244 H ARG 867 H ARG 867 -4.673 -9.748 -0.346 245 HA ARG 867 HA ARG 867 -4.739 -8.522 -2.897 246 1HB ARG 867 1HB ARG 867 -6.270 -6.860 -1.442 247 2HB ARG 867 2HB ARG 867 -6.808 -8.495 -1.897 248 1HG ARG 867 1HG ARG 867 -5.183 -8.225 0.607 249 2HG ARG 867 2HG ARG 867 -6.860 -7.631 0.652 250 1HD ARG 867 1HD ARG 867 -7.756 -9.728 0.392 251 2HD ARG 867 2HD ARG 867 -6.418 -10.289 -0.634 252 HE ARG 867 HE ARG 867 -5.394 -9.894 1.970 253 1HH1 ARG 867 2HH2 ARG 867 -7.715 -11.940 0.259 254 2HH1 ARG 867 1HH2 ARG 867 -7.507 -13.307 1.330 255 1HH2 ARG 867 2HH1 ARG 867 -5.120 -11.700 3.385 256 2HH2 ARG 867 1HH1 ARG 867 -6.027 -13.171 3.112 257 H LEU 868 H LEU 868 -3.442 -7.437 0.257 258 HA LEU 868 HA LEU 868 -2.947 -4.815 -0.009 259 1HB LEU 868 1HB LEU 868 -1.378 -7.097 1.054 260 2HB LEU 868 2HB LEU 868 -0.444 -5.613 0.747 261 HG LEU 868 HG LEU 868 -2.669 -6.110 2.693 262 1HD1 LEU 868 1HD1 LEU 868 0.062 -4.993 2.585 263 2HD1 LEU 868 2HD1 LEU 868 -1.068 -4.017 3.553 264 3HD1 LEU 868 3HD1 LEU 868 -0.813 -5.733 3.947 265 1HD2 LEU 868 1HD2 LEU 868 -3.054 -3.586 2.737 266 2HD2 LEU 868 2HD2 LEU 868 -2.229 -3.518 1.161 267 3HD2 LEU 868 3HD2 LEU 868 -3.741 -4.441 1.335 268 H ARG 869 H ARG 869 -0.960 -7.343 -1.642 269 HA ARG 869 HA ARG 869 0.679 -5.489 -3.058 270 1HB ARG 869 1HB ARG 869 1.149 -7.937 -2.629 271 2HB ARG 869 2HB ARG 869 -0.064 -8.322 -3.873 272 1HG ARG 869 1HG ARG 869 1.560 -8.080 -5.421 273 2HG ARG 869 2HG ARG 869 1.594 -6.345 -5.026 274 1HD ARG 869 1HD ARG 869 3.684 -6.619 -4.241 275 2HD ARG 869 2HD ARG 869 3.018 -7.643 -2.951 276 HE ARG 869 HE ARG 869 4.422 -8.520 -5.365 277 1HH1 ARG 869 2HH2 ARG 869 2.242 -9.376 -2.716 278 2HH1 ARG 869 1HH2 ARG 869 2.588 -11.088 -2.803 279 1HH2 ARG 869 2HH1 ARG 869 4.879 -10.782 -5.479 280 2HH2 ARG 869 1HH1 ARG 869 4.092 -11.890 -4.378 281 H ARG 870 H ARG 870 -1.318 -7.802 -4.865 282 HA ARG 870 HA ARG 870 -1.712 -6.383 -7.138 283 1HB ARG 870 1HB ARG 870 -2.577 -8.678 -6.659 284 2HB ARG 870 2HB ARG 870 -3.899 -7.949 -5.714 285 1HG ARG 870 1HG ARG 870 -4.982 -8.049 -7.739 286 2HG ARG 870 2HG ARG 870 -4.135 -6.504 -7.995 287 1HD ARG 870 1HD ARG 870 -2.189 -7.960 -8.906 288 2HD ARG 870 2HD ARG 870 -3.392 -9.263 -9.003 289 HE ARG 870 HE ARG 870 -4.255 -8.258 -10.885 290 1HH1 ARG 870 2HH2 ARG 870 -2.474 -5.876 -8.974 291 2HH1 ARG 870 1HH2 ARG 870 -2.665 -4.591 -10.146 292 1HH2 ARG 870 2HH1 ARG 870 -4.507 -6.561 -12.433 293 2HH2 ARG 870 1HH1 ARG 870 -3.823 -4.981 -12.118 294 H TYR 871 H TYR 871 -3.913 -6.177 -4.280 295 HA TYR 871 HA TYR 871 -5.696 -4.289 -5.152 296 1HB TYR 871 1HB TYR 871 -5.586 -5.419 -2.902 297 2HB TYR 871 2HB TYR 871 -4.345 -4.243 -2.435 298 HD1 TYR 871 1HD TYR 871 -7.598 -3.922 -4.295 299 HD2 TYR 871 2HD TYR 871 -5.227 -2.736 -0.915 300 HE1 TYR 871 1HE TYR 871 -9.369 -2.326 -3.612 301 HE2 TYR 871 2HE TYR 871 -6.998 -1.140 -0.233 302 HH TYR 871 HH TYR 871 -9.781 -1.057 -0.748 303 H PHE 872 H PHE 872 -2.703 -3.410 -3.325 304 HA PHE 872 HA PHE 872 -2.797 -0.673 -3.726 305 1HB PHE 872 1HB PHE 872 -1.162 -2.061 -2.356 306 2HB PHE 872 2HB PHE 872 -0.265 -2.333 -3.859 307 HD1 PHE 872 1HD PHE 872 -0.622 -0.235 -1.026 308 HD2 PHE 872 2HD PHE 872 0.380 -0.157 -5.202 309 HE1 PHE 872 1HE PHE 872 0.571 1.915 -0.700 310 HE2 PHE 872 2HE PHE 872 1.573 1.993 -4.876 311 HZ PHE 872 HZ PHE 872 1.668 3.029 -2.625 312 H VAL 873 H VAL 873 -0.164 -2.246 -5.473 313 HA VAL 873 HA VAL 873 0.136 -0.578 -7.551 314 HB VAL 873 HB VAL 873 1.583 -2.283 -7.889 315 1HG1 VAL 873 1HG1 VAL 873 1.023 -3.584 -5.998 316 2HG1 VAL 873 2HG1 VAL 873 -0.603 -3.955 -6.622 317 3HG1 VAL 873 3HG1 VAL 873 0.828 -4.721 -7.354 318 1HG2 VAL 873 1HG2 VAL 873 0.963 -3.796 -9.658 319 2HG2 VAL 873 2HG2 VAL 873 -0.762 -3.683 -9.232 320 3HG2 VAL 873 3HG2 VAL 873 0.073 -2.281 -9.943 321 H ALA 874 H ALA 874 -2.569 -2.839 -7.142 322 HA ALA 874 HA ALA 874 -3.649 -2.693 -9.746 323 1HB ALA 874 1HB ALA 874 -4.673 -4.315 -8.471 324 2HB ALA 874 2HB ALA 874 -4.665 -3.316 -6.997 325 3HB ALA 874 3HB ALA 874 -5.864 -3.006 -8.276 326 H PHE 875 H PHE 875 -4.426 -0.737 -6.812 327 HA PHE 875 HA PHE 875 -6.348 0.944 -7.747 328 1HB PHE 875 1HB PHE 875 -3.865 1.837 -6.246 329 2HB PHE 875 2HB PHE 875 -5.437 2.654 -6.266 330 HD1 PHE 875 1HD PHE 875 -6.178 -0.740 -6.306 331 HD2 PHE 875 2HD PHE 875 -4.678 2.303 -3.671 332 HE1 PHE 875 1HE PHE 875 -6.902 -2.079 -4.347 333 HE2 PHE 875 2HE PHE 875 -5.402 0.964 -1.713 334 HZ PHE 875 HZ PHE 875 -6.514 -1.227 -2.051 335 H ASP 876 H ASP 876 -2.819 1.297 -8.368 336 HA ASP 876 HA ASP 876 -2.683 1.962 -10.928 337 1HB ASP 876 1HB ASP 876 -4.278 4.043 -9.548 338 2HB ASP 876 2HB ASP 876 -2.984 4.662 -10.597 339 H GLY 877 H GLY 877 -1.491 1.873 -7.941 340 1HA GLY 877 1HA GLY 877 0.670 3.852 -8.302 341 2HA GLY 877 2HA GLY 877 0.364 2.852 -6.864 342 H ASP 878 H ASP 878 2.382 1.912 -6.640 343 HA ASP 878 HA ASP 878 3.004 -0.202 -8.568 344 1HB ASP 878 1HB ASP 878 4.604 2.309 -8.266 345 2HB ASP 878 2HB ASP 878 5.493 0.777 -8.412 346 H LEU 879 H LEU 879 4.755 -1.627 -7.733 347 HA LEU 879 HA LEU 879 5.207 -1.334 -4.816 348 1HB LEU 879 1HB LEU 879 3.519 -3.318 -6.165 349 2HB LEU 879 2HB LEU 879 4.805 -4.064 -5.186 350 HG LEU 879 HG LEU 879 4.098 -2.915 -3.209 351 1HD1 LEU 879 1HD1 LEU 879 3.695 -0.702 -4.023 352 2HD1 LEU 879 2HD1 LEU 879 2.428 -1.265 -5.138 353 3HD1 LEU 879 3HD1 LEU 879 2.134 -1.269 -3.383 354 1HD2 LEU 879 1HD2 LEU 879 2.084 -4.304 -4.875 355 2HD2 LEU 879 2HD2 LEU 879 2.547 -4.580 -3.178 356 3HD2 LEU 879 3HD2 LEU 879 1.390 -3.290 -3.587 357 H VAL 880 H VAL 880 7.221 -1.958 -4.173 358 HA VAL 880 HA VAL 880 8.941 -3.197 -6.272 359 HB VAL 880 HB VAL 880 10.365 -1.785 -4.153 360 1HG1 VAL 880 1HG1 VAL 880 10.177 -1.168 -7.124 361 2HG1 VAL 880 2HG1 VAL 880 11.543 -0.863 -6.024 362 3HG1 VAL 880 3HG1 VAL 880 11.127 -2.531 -6.485 363 1HG2 VAL 880 1HG2 VAL 880 8.027 -0.466 -5.473 364 2HG2 VAL 880 2HG2 VAL 880 8.784 -0.133 -3.896 365 3HG2 VAL 880 3HG2 VAL 880 9.537 0.472 -5.391 366 H GLN 881 H GLN 881 11.027 -4.134 -5.055 367 HA GLN 881 HA GLN 881 9.929 -5.952 -2.972 368 1HB GLN 881 1HB GLN 881 12.447 -6.344 -4.617 369 2HB GLN 881 2HB GLN 881 11.514 -7.563 -3.716 370 1HG GLN 881 1HG GLN 881 9.624 -7.298 -5.247 371 2HG GLN 881 2HG GLN 881 10.468 -5.990 -6.105 372 1HE2 GLN 881 1HE2 GLN 881 11.286 -9.322 -4.955 373 2HE2 GLN 881 2HE2 GLN 881 11.975 -9.857 -6.473 374 H GLU 882 H GLU 882 10.792 -5.978 -0.954 375 HA GLU 882 HA GLU 882 12.017 -4.018 0.326 376 1HB GLU 882 1HB GLU 882 11.486 -6.272 1.279 377 2HB GLU 882 2HB GLU 882 13.002 -6.885 0.578 378 1HG GLU 882 1HG GLU 882 14.035 -4.777 1.832 379 2HG GLU 882 2HG GLU 882 12.582 -4.947 2.840 380 H PHE 883 H PHE 883 14.140 -6.595 -1.050 381 HA PHE 883 HA PHE 883 16.457 -4.898 -0.942 382 1HB PHE 883 1HB PHE 883 17.562 -6.731 -2.081 383 2HB PHE 883 2HB PHE 883 16.517 -7.367 -0.801 384 HD1 PHE 883 1HD PHE 883 17.053 -7.107 -4.431 385 HD2 PHE 883 2HD PHE 883 14.487 -8.620 -1.336 386 HE1 PHE 883 1HE PHE 883 15.928 -8.577 -6.082 387 HE2 PHE 883 2HE PHE 883 13.362 -10.090 -2.987 388 HZ PHE 883 HZ PHE 883 14.083 -10.068 -5.360 389 H ASP 884 H ASP 884 13.809 -4.441 -2.732 390 HA ASP 884 HA ASP 884 15.382 -3.309 -4.982 391 1HB ASP 884 1HB ASP 884 12.826 -4.943 -5.204 392 2HB ASP 884 2HB ASP 884 13.580 -4.038 -6.535 393 H MET 885 H MET 885 15.163 -1.283 -3.873 394 HA MET 885 HA MET 885 12.481 -0.095 -4.286 395 1HB MET 885 1HB MET 885 13.175 1.160 -2.003 396 2HB MET 885 2HB MET 885 12.205 -0.332 -2.022 397 1HG MET 885 1HG MET 885 14.461 -1.579 -1.963 398 2HG MET 885 2HG MET 885 15.175 -0.019 -1.522 399 1HE MET 885 1HE MET 885 12.540 -2.548 -0.935 400 2HE MET 885 2HE MET 885 12.436 -2.777 0.827 401 3HE MET 885 3HE MET 885 11.519 -1.468 0.044 402 H THR 886 H THR 886 15.985 0.247 -3.747 403 HA THR 886 HA THR 886 16.839 2.649 -3.779 404 HB THR 886 HB THR 886 18.370 2.263 -5.554 405 HG1 THR 886 1HG THR 886 17.500 1.740 -7.377 406 1HG2 THR 886 1HG2 THR 886 19.091 0.031 -5.141 407 2HG2 THR 886 2HG2 THR 886 18.217 0.508 -3.666 408 3HG2 THR 886 3HG2 THR 886 17.428 -0.541 -4.868 409 H SER 887 H SER 887 14.863 1.589 -6.601 410 HA SER 887 HA SER 887 14.484 4.432 -7.329 411 1HB SER 887 1HB SER 887 14.416 1.819 -8.719 412 2HB SER 887 2HB SER 887 13.132 2.954 -9.203 413 HG SER 887 HG SER 887 15.928 3.241 -9.345 414 H ALA 888 H ALA 888 12.971 1.858 -5.620 415 HA ALA 888 HA ALA 888 10.275 2.094 -6.106 416 1HB ALA 888 1HB ALA 888 11.855 1.731 -3.552 417 2HB ALA 888 2HB ALA 888 10.075 1.750 -3.539 418 3HB ALA 888 3HB ALA 888 10.946 0.520 -4.487 419 H THR 889 H THR 889 8.705 3.173 -4.335 420 HA THR 889 HA THR 889 9.528 6.027 -4.089 421 HB THR 889 HB THR 889 7.719 5.157 -5.917 422 HG1 THR 889 1HG THR 889 7.040 7.279 -5.899 423 1HG2 THR 889 1HG2 THR 889 5.878 6.130 -3.765 424 2HG2 THR 889 2HG2 THR 889 5.560 5.021 -5.120 425 3HG2 THR 889 3HG2 THR 889 6.412 4.435 -3.671 426 H HIS 890 H HIS 890 7.438 3.354 -2.933 427 HA HIS 890 HA HIS 890 7.458 4.675 -0.262 428 1HB HIS 890 1HB HIS 890 5.180 3.393 -1.784 429 2HB HIS 890 2HB HIS 890 5.157 3.533 -0.016 430 HD1 HIS 890 1HD HIS 890 6.292 6.238 -2.562 431 HD2 HIS 890 2HD HIS 890 3.433 5.440 0.421 432 HE1 HIS 890 1HE HIS 890 4.963 8.396 -2.221 433 H VAL 891 H VAL 891 7.011 3.080 1.526 434 HA VAL 891 HA VAL 891 7.659 0.287 0.880 435 HB VAL 891 HB VAL 891 9.509 0.377 2.661 436 1HG1 VAL 891 1HG1 VAL 891 10.579 2.023 0.484 437 2HG1 VAL 891 2HG1 VAL 891 10.921 0.326 0.895 438 3HG1 VAL 891 3HG1 VAL 891 9.514 0.730 -0.116 439 1HG2 VAL 891 1HG2 VAL 891 9.157 2.511 3.662 440 2HG2 VAL 891 2HG2 VAL 891 10.624 2.704 2.671 441 3HG2 VAL 891 3HG2 VAL 891 9.063 3.324 2.081 442 H LEU 892 H LEU 892 6.365 -0.961 2.088 443 HA LEU 892 HA LEU 892 4.810 0.205 4.236 444 1HB LEU 892 1HB LEU 892 4.567 -1.958 2.472 445 2HB LEU 892 2HB LEU 892 4.775 -2.711 4.072 446 HG LEU 892 HG LEU 892 3.008 -0.410 4.259 447 1HD1 LEU 892 1HD1 LEU 892 2.065 -0.620 2.176 448 2HD1 LEU 892 2HD1 LEU 892 2.620 -2.300 1.981 449 3HD1 LEU 892 3HD1 LEU 892 1.180 -1.947 2.967 450 1HD2 LEU 892 1HD2 LEU 892 1.490 -2.587 4.845 451 2HD2 LEU 892 2HD2 LEU 892 3.113 -3.306 4.973 452 3HD2 LEU 892 3HD2 LEU 892 2.682 -1.898 5.974 453 H GLY 893 H GLY 893 5.088 0.021 6.417 454 1HA GLY 893 1HA GLY 893 6.456 -0.116 8.298 455 2HA GLY 893 2HA GLY 893 6.273 -1.851 7.954 456 H SER 894 H SER 894 8.440 0.838 8.082 457 HA SER 894 HA SER 894 10.780 0.590 8.234 458 1HB SER 894 1HB SER 894 10.412 -1.873 6.485 459 2HB SER 894 2HB SER 894 11.917 -1.345 7.276 460 HG SER 894 HG SER 894 9.807 -2.719 8.294 461 H ARG 895 H ARG 895 12.521 1.143 6.711 462 HA ARG 895 HA ARG 895 11.619 1.712 3.954 463 1HB ARG 895 1HB ARG 895 12.501 4.047 4.165 464 2HB ARG 895 2HB ARG 895 11.060 3.745 5.166 465 1HG ARG 895 1HG ARG 895 12.282 4.542 6.900 466 2HG ARG 895 2HG ARG 895 13.169 3.001 6.831 467 1HD ARG 895 1HD ARG 895 14.668 4.087 5.075 468 2HD ARG 895 2HD ARG 895 13.891 5.630 5.487 469 HE ARG 895 HE ARG 895 15.933 4.271 6.990 470 1HH1 ARG 895 2HH2 ARG 895 13.011 6.238 7.299 471 2HH1 ARG 895 1HH2 ARG 895 13.471 6.923 8.842 472 1HH2 ARG 895 2HH1 ARG 895 16.540 5.176 9.028 473 2HH2 ARG 895 1HH1 ARG 895 15.483 6.317 9.827 474 H ASP 896 H ASP 896 14.139 1.366 6.414 475 HA ASP 896 HA ASP 896 16.516 1.858 5.528 476 1HB ASP 896 1HB ASP 896 16.450 0.221 7.199 477 2HB ASP 896 2HB ASP 896 15.426 -0.865 6.235 478 H LYS 897 H LYS 897 15.294 -1.206 4.106 479 HA LYS 897 HA LYS 897 16.870 -1.553 1.993 480 1HB LYS 897 1HB LYS 897 14.285 -1.736 0.834 481 2HB LYS 897 2HB LYS 897 15.241 -3.040 1.580 482 1HG LYS 897 1HG LYS 897 13.239 -3.052 2.832 483 2HG LYS 897 2HG LYS 897 14.346 -2.091 3.842 484 1HD LYS 897 1HD LYS 897 13.412 -0.033 2.578 485 2HD LYS 897 2HD LYS 897 12.110 -1.119 2.035 486 1HE LYS 897 1HE LYS 897 12.146 -1.711 4.689 487 2HE LYS 897 2HE LYS 897 12.677 -0.016 4.746 488 1HZ LYS 897 1HZ LYS 897 10.730 0.685 3.863 489 2HZ LYS 897 2HZ LYS 897 10.374 -0.750 3.134 490 3HZ LYS 897 3HZ LYS 897 10.201 -0.589 4.766 491 H ASN 898 H ASN 898 14.503 1.085 2.276 492 HA ASN 898 HA ASN 898 15.927 2.574 0.216 493 1HB ASN 898 1HB ASN 898 13.838 0.936 -0.626 494 2HB ASN 898 2HB ASN 898 13.070 2.526 -0.433 495 1HD2 ASN 898 1HD2 ASN 898 12.824 3.065 -2.593 496 2HD2 ASN 898 2HD2 ASN 898 14.171 3.314 -3.683 497 HA PRO 899 HA PRO 899 14.307 5.239 3.511 498 1HB PRO 899 1HB PRO 899 16.338 7.053 3.426 499 2HB PRO 899 2HB PRO 899 16.547 5.434 4.170 500 1HG PRO 899 1HG PRO 899 17.274 6.267 1.347 501 2HG PRO 899 2HG PRO 899 18.329 5.451 2.547 502 1HD PRO 899 1HD PRO 899 16.977 4.038 0.648 503 2HD PRO 899 2HD PRO 899 17.120 3.408 2.317 504 H ALA 900 H ALA 900 14.943 5.575 0.134 505 HA ALA 900 HA ALA 900 13.969 8.333 -0.036 506 1HB ALA 900 1HB ALA 900 14.131 7.786 -2.540 507 2HB ALA 900 2HB ALA 900 15.652 7.759 -1.615 508 3HB ALA 900 3HB ALA 900 14.843 6.232 -2.042 509 H ALA 901 H ALA 901 12.570 5.325 0.449 510 HA ALA 901 HA ALA 901 10.165 5.954 -1.164 511 1HB ALA 901 1HB ALA 901 10.810 3.709 -1.478 512 2HB ALA 901 2HB ALA 901 11.215 3.489 0.241 513 3HB ALA 901 3HB ALA 901 9.513 3.609 -0.263 514 H GLN 902 H GLN 902 8.103 6.146 -0.208 515 HA GLN 902 HA GLN 902 8.086 7.446 2.344 516 1HB GLN 902 1HB GLN 902 6.326 7.057 0.130 517 2HB GLN 902 2HB GLN 902 5.473 6.510 1.594 518 1HG GLN 902 1HG GLN 902 6.454 9.234 0.850 519 2HG GLN 902 2HG GLN 902 4.996 8.754 1.745 520 1HE2 GLN 902 1HE2 GLN 902 5.953 7.236 3.815 521 2HE2 GLN 902 2HE2 GLN 902 7.000 8.192 4.843 522 H GLN 903 H GLN 903 7.993 6.597 4.338 523 HA GLN 903 HA GLN 903 7.682 3.695 4.615 524 1HB GLN 903 1HB GLN 903 9.221 5.592 5.885 525 2HB GLN 903 2HB GLN 903 7.892 5.362 7.046 526 1HG GLN 903 1HG GLN 903 8.251 2.904 6.939 527 2HG GLN 903 2HG GLN 903 9.609 3.163 5.822 528 1HE2 GLN 903 1HE2 GLN 903 11.452 2.731 6.912 529 2HE2 GLN 903 2HE2 GLN 903 11.856 3.353 8.498 530 H VAL 904 H VAL 904 5.477 3.368 4.088 531 HA VAL 904 HA VAL 904 3.521 4.671 5.905 532 HB VAL 904 HB VAL 904 2.135 4.701 4.133 533 1HG1 VAL 904 1HG1 VAL 904 4.236 5.273 2.972 534 2HG1 VAL 904 2HG1 VAL 904 4.550 3.547 2.671 535 3HG1 VAL 904 3HG1 VAL 904 3.161 4.347 1.897 536 1HG2 VAL 904 1HG2 VAL 904 2.942 1.786 3.888 537 2HG2 VAL 904 2HG2 VAL 904 1.384 2.465 4.418 538 3HG2 VAL 904 3HG2 VAL 904 1.859 2.557 2.705 539 H SER 905 H SER 905 1.543 3.043 6.266 540 HA SER 905 HA SER 905 2.677 0.406 7.057 541 1HB SER 905 1HB SER 905 2.008 2.483 8.815 542 2HB SER 905 2HB SER 905 0.600 1.393 8.859 543 HG SER 905 HG SER 905 3.263 0.923 9.568 544 HA PRO 906 HA PRO 906 -1.107 -1.427 5.725 545 1HB PRO 906 1HB PRO 906 -2.285 -2.695 7.829 546 2HB PRO 906 2HB PRO 906 -0.670 -3.179 7.218 547 1HG PRO 906 1HG PRO 906 -1.276 -1.318 9.533 548 2HG PRO 906 2HG PRO 906 -0.195 -2.750 9.542 549 1HD PRO 906 1HD PRO 906 0.781 -0.234 9.158 550 2HD PRO 906 2HD PRO 906 1.431 -1.613 8.219 551 H GLU 907 H GLU 907 -1.504 0.595 8.638 552 HA GLU 907 HA GLU 907 -4.340 0.965 8.319 553 1HB GLU 907 1HB GLU 907 -2.631 1.377 10.348 554 2HB GLU 907 2HB GLU 907 -2.646 3.025 9.674 555 1HG GLU 907 1HG GLU 907 -5.261 2.663 9.625 556 2HG GLU 907 2HG GLU 907 -4.914 1.414 10.840 557 H TRP 908 H TRP 908 -1.463 2.405 6.913 558 HA TRP 908 HA TRP 908 -2.624 4.880 6.091 559 1HB TRP 908 1HB TRP 908 -0.213 4.462 6.175 560 2HB TRP 908 2HB TRP 908 -0.366 3.230 4.915 561 HD1 TRP 908 HD TRP 908 -0.705 7.028 5.407 562 HE1 TRP 908 1HE TRP 908 -0.274 8.218 3.197 563 HE3 TRP 908 3HE TRP 908 -0.282 2.939 2.357 564 HZ2 TRP 908 2HZ TRP 908 0.196 7.495 0.435 565 HZ3 TRP 908 3HZ TRP 908 0.156 3.229 -0.054 566 HH2 TRP 908 HH TRP 908 0.397 5.494 -1.028 567 H ILE 909 H ILE 909 -2.040 1.809 4.284 568 HA ILE 909 HA ILE 909 -3.174 2.453 1.862 569 HB ILE 909 HB ILE 909 -2.940 -0.041 3.492 570 1HG1 ILE 909 1HG1 ILE 909 -2.297 -0.257 0.691 571 2HG1 ILE 909 2HG1 ILE 909 -1.626 1.269 1.316 572 1HG2 ILE 909 1HG2 ILE 909 -5.296 0.037 2.449 573 2HG2 ILE 909 2HG2 ILE 909 -4.474 -0.019 0.871 574 3HG2 ILE 909 3HG2 ILE 909 -4.279 -1.361 2.024 575 1HD1 ILE 909 1HD1 ILE 909 -1.279 -1.423 2.697 576 2HD1 ILE 909 2HD1 ILE 909 -0.090 -0.731 1.568 577 3HD1 ILE 909 3HD1 ILE 909 -0.462 0.108 3.093 578 H TRP 910 H TRP 910 -4.965 1.005 4.650 579 HA TRP 910 HA TRP 910 -7.525 1.195 3.514 580 1HB TRP 910 1HB TRP 910 -6.931 1.622 6.444 581 2HB TRP 910 2HB TRP 910 -8.345 0.856 5.707 582 HD1 TRP 910 HD TRP 910 -5.612 -0.107 7.694 583 HE1 TRP 910 1HE TRP 910 -4.853 -2.513 7.346 584 HE3 TRP 910 3HE TRP 910 -7.891 -1.033 3.205 585 HZ2 TRP 910 2HZ TRP 910 -5.187 -4.596 5.364 586 HZ3 TRP 910 3HZ TRP 910 -7.648 -3.235 2.120 587 HH2 TRP 910 HH TRP 910 -6.302 -5.023 3.183 588 H ALA 911 H ALA 911 -6.040 3.453 5.913 589 HA ALA 911 HA ALA 911 -8.010 5.418 5.833 590 1HB ALA 911 1HB ALA 911 -6.386 6.866 6.799 591 2HB ALA 911 2HB ALA 911 -5.939 5.227 7.334 592 3HB ALA 911 3HB ALA 911 -5.040 6.008 6.011 593 H CYS 912 H CYS 912 -5.401 4.722 3.537 594 HA CYS 912 HA CYS 912 -5.694 7.181 2.054 595 1HB CYS 912 1HB CYS 912 -4.492 4.502 1.241 596 2HB CYS 912 2HB CYS 912 -4.238 6.065 0.425 597 HG CYS 912 HG CYS 912 -2.600 4.734 2.608 598 H ILE 913 H ILE 913 -6.139 3.889 0.708 599 HA ILE 913 HA ILE 913 -7.782 4.470 -1.377 600 HB ILE 913 HB ILE 913 -7.041 2.219 -1.011 601 1HG1 ILE 913 1HG1 ILE 913 -10.055 2.262 -0.563 602 2HG1 ILE 913 2HG1 ILE 913 -9.270 2.540 -2.136 603 1HG2 ILE 913 1HG2 ILE 913 -8.724 1.286 1.097 604 2HG2 ILE 913 2HG2 ILE 913 -6.948 1.405 1.087 605 3HG2 ILE 913 3HG2 ILE 913 -7.928 2.768 1.680 606 1HD1 ILE 913 1HD1 ILE 913 -8.841 0.331 -2.433 607 2HD1 ILE 913 2HD1 ILE 913 -8.288 0.128 -0.753 608 3HD1 ILE 913 3HD1 ILE 913 -10.027 0.065 -1.132 609 H ARG 914 H ARG 914 -8.807 4.054 2.039 610 HA ARG 914 HA ARG 914 -11.596 4.391 1.532 611 1HB ARG 914 1HB ARG 914 -10.435 3.435 3.609 612 2HB ARG 914 2HB ARG 914 -10.131 5.123 4.086 613 1HG ARG 914 1HG ARG 914 -12.299 3.968 4.960 614 2HG ARG 914 2HG ARG 914 -12.436 5.609 4.283 615 1HD ARG 914 1HD ARG 914 -12.686 3.317 2.376 616 2HD ARG 914 2HD ARG 914 -14.032 3.576 3.506 617 HE ARG 914 HE ARG 914 -13.250 5.275 1.262 618 1HH1 ARG 914 2HH2 ARG 914 -14.945 5.058 4.357 619 2HH1 ARG 914 1HH2 ARG 914 -16.000 6.415 4.030 620 1HH2 ARG 914 2HH1 ARG 914 -14.644 7.067 0.830 621 2HH2 ARG 914 1HH1 ARG 914 -15.828 7.561 2.020 622 H LYS 915 H LYS 915 -8.890 6.620 1.891 623 HA LYS 915 HA LYS 915 -10.719 8.923 2.135 624 1HB LYS 915 1HB LYS 915 -7.708 8.566 2.243 625 2HB LYS 915 2HB LYS 915 -8.481 10.169 2.201 626 1HG LYS 915 1HG LYS 915 -9.292 8.047 4.216 627 2HG LYS 915 2HG LYS 915 -7.958 9.182 4.530 628 1HD LYS 915 1HD LYS 915 -9.406 11.078 4.388 629 2HD LYS 915 2HD LYS 915 -10.718 10.115 3.667 630 1HE LYS 915 1HE LYS 915 -11.426 10.244 5.880 631 2HE LYS 915 2HE LYS 915 -10.515 8.718 5.899 632 1HZ LYS 915 1HZ LYS 915 -9.502 9.691 7.589 633 2HZ LYS 915 2HZ LYS 915 -8.626 10.478 6.434 634 3HZ LYS 915 3HZ LYS 915 -9.916 11.224 7.142 635 H ARG 916 H ARG 916 -9.207 7.020 -0.271 636 HA ARG 916 HA ARG 916 -9.154 7.239 -2.552 637 1HB ARG 916 1HB ARG 916 -11.313 8.858 -1.732 638 2HB ARG 916 2HB ARG 916 -10.372 9.859 -2.863 639 1HG ARG 916 1HG ARG 916 -10.825 6.995 -3.615 640 2HG ARG 916 2HG ARG 916 -12.222 8.094 -3.710 641 1HD ARG 916 1HD ARG 916 -9.657 9.126 -4.824 642 2HD ARG 916 2HD ARG 916 -10.414 7.791 -5.719 643 HE ARG 916 HE ARG 916 -12.159 10.054 -4.991 644 1HH1 ARG 916 2HH2 ARG 916 -10.155 8.426 -7.407 645 2HH1 ARG 916 1HH2 ARG 916 -10.892 9.242 -8.768 646 1HH2 ARG 916 2HH1 ARG 916 -13.133 11.131 -6.789 647 2HH2 ARG 916 1HH1 ARG 916 -12.590 10.784 -8.415 648 H ARG 917 H ARG 917 -7.817 9.423 -0.341 649 HA ARG 917 HA ARG 917 -5.933 10.390 -2.427 650 1HB ARG 917 1HB ARG 917 -6.003 12.441 -0.574 651 2HB ARG 917 2HB ARG 917 -6.836 12.445 -2.147 652 1HG ARG 917 1HG ARG 917 -8.187 11.090 0.172 653 2HG ARG 917 2HG ARG 917 -8.170 12.869 0.131 654 1HD ARG 917 1HD ARG 917 -9.024 12.716 -2.258 655 2HD ARG 917 2HD ARG 917 -9.253 10.975 -1.987 656 HE ARG 917 HE ARG 917 -11.132 11.436 -0.717 657 1HH1 ARG 917 2HH2 ARG 917 -9.193 14.360 -1.151 658 2HH1 ARG 917 1HH2 ARG 917 -10.389 15.423 -0.444 659 1HH2 ARG 917 2HH1 ARG 917 -12.712 12.840 0.217 660 2HH2 ARG 917 1HH1 ARG 917 -12.395 14.557 0.336 661 H LEU 918 H LEU 918 -3.982 9.589 -1.942 662 HA LEU 918 HA LEU 918 -3.142 8.180 0.191 663 1HB LEU 918 1HB LEU 918 -1.747 10.176 -1.569 664 2HB LEU 918 2HB LEU 918 -0.859 9.484 -0.189 665 HG LEU 918 HG LEU 918 -0.493 7.619 -1.400 666 1HD1 LEU 918 1HD1 LEU 918 -3.534 7.544 -1.431 667 2HD1 LEU 918 2HD1 LEU 918 -2.526 6.223 -2.067 668 3HD1 LEU 918 3HD1 LEU 918 -2.431 6.665 -0.345 669 1HD2 LEU 918 1HD2 LEU 918 -0.509 8.794 -3.454 670 2HD2 LEU 918 2HD2 LEU 918 -1.636 7.444 -3.731 671 3HD2 LEU 918 3HD2 LEU 918 -2.266 9.072 -3.383 672 H VAL 919 H VAL 919 -3.069 8.429 2.339 673 HA VAL 919 HA VAL 919 -3.280 11.173 3.429 674 HB VAL 919 HB VAL 919 -4.288 10.217 5.279 675 1HG1 VAL 919 1HG1 VAL 919 -5.053 7.778 3.901 676 2HG1 VAL 919 2HG1 VAL 919 -6.024 9.234 4.226 677 3HG1 VAL 919 3HG1 VAL 919 -5.021 9.142 2.759 678 1HG2 VAL 919 1HG2 VAL 919 -2.918 7.570 4.648 679 2HG2 VAL 919 2HG2 VAL 919 -2.264 8.788 5.769 680 3HG2 VAL 919 3HG2 VAL 919 -3.815 7.991 6.127 681 H ALA 920 H ALA 920 -2.192 10.812 5.943 682 HA ALA 920 HA ALA 920 0.598 11.158 5.401 683 1HB ALA 920 1HB ALA 920 -1.101 10.933 7.894 684 2HB ALA 920 2HB ALA 920 0.673 11.037 7.996 685 3HB ALA 920 3HB ALA 920 -0.254 12.356 7.242 686 HA PRO 921 HA PRO 921 1.465 6.761 5.372 687 1HB PRO 921 1HB PRO 921 4.021 6.966 4.450 688 2HB PRO 921 2HB PRO 921 2.606 7.284 3.394 689 1HG PRO 921 1HG PRO 921 4.256 9.320 4.919 690 2HG PRO 921 2HG PRO 921 3.844 9.341 3.173 691 1HD PRO 921 1HD PRO 921 2.375 10.736 4.997 692 2HD PRO 921 2HD PRO 921 1.569 9.878 3.649 693 H CYS 922 H CYS 922 2.092 5.590 7.106 694 HA CYS 922 HA CYS 922 4.380 6.473 8.723 695 1HB CYS 922 1HB CYS 922 2.228 7.582 9.608 696 2HB CYS 922 2HB CYS 922 1.716 5.940 10.073 697 HG CYS 922 HG CYS 922 4.719 6.181 10.780 Start of MODEL 10 1 H GLY 835 H GLY 835 -8.041 -4.111 11.900 2 1HA GLY 835 1HA GLY 835 -8.594 -1.910 11.555 3 2HA GLY 835 2HA GLY 835 -7.659 -2.018 10.046 4 H SER 836 H SER 836 -9.290 -0.539 9.144 5 HA SER 836 HA SER 836 -12.038 -1.317 8.927 6 1HB SER 836 1HB SER 836 -12.026 0.436 7.088 7 2HB SER 836 2HB SER 836 -11.449 0.996 8.676 8 HG SER 836 HG SER 836 -9.485 1.179 7.913 9 H ALA 837 H ALA 837 -9.227 -2.614 7.570 10 HA ALA 837 HA ALA 837 -9.591 -3.156 4.951 11 1HB ALA 837 1HB ALA 837 -8.339 -5.097 5.270 12 2HB ALA 837 2HB ALA 837 -7.965 -4.180 6.749 13 3HB ALA 837 3HB ALA 837 -9.159 -5.499 6.798 14 H ASP 838 H ASP 838 -10.965 -5.460 7.361 15 HA ASP 838 HA ASP 838 -12.643 -6.866 5.727 16 1HB ASP 838 1HB ASP 838 -12.278 -6.565 8.468 17 2HB ASP 838 2HB ASP 838 -13.980 -6.113 8.227 18 H GLU 839 H GLU 839 -13.270 -3.642 7.165 19 HA GLU 839 HA GLU 839 -15.940 -3.465 6.080 20 1HB GLU 839 1HB GLU 839 -14.160 -1.912 7.772 21 2HB GLU 839 2HB GLU 839 -14.946 -0.871 6.561 22 1HG GLU 839 1HG GLU 839 -16.819 -2.819 7.661 23 2HG GLU 839 2HG GLU 839 -16.080 -1.842 8.949 24 H THR 840 H THR 840 -12.677 -2.682 4.965 25 HA THR 840 HA THR 840 -13.665 -1.103 2.710 26 HB THR 840 HB THR 840 -10.865 -2.194 2.971 27 HG1 THR 840 1HG THR 840 -10.526 -0.281 4.302 28 1HG2 THR 840 1HG2 THR 840 -11.534 -0.840 0.998 29 2HG2 THR 840 2HG2 THR 840 -12.043 0.475 2.084 30 3HG2 THR 840 3HG2 THR 840 -10.328 0.008 1.995 31 H LEU 841 H LEU 841 -11.861 -4.207 3.112 32 HA LEU 841 HA LEU 841 -12.099 -4.977 0.386 33 1HB LEU 841 1HB LEU 841 -11.409 -6.299 2.986 34 2HB LEU 841 2HB LEU 841 -11.807 -7.343 1.600 35 HG LEU 841 HG LEU 841 -9.387 -5.812 2.111 36 1HD1 LEU 841 1HD1 LEU 841 -10.140 -8.238 1.016 37 2HD1 LEU 841 2HD1 LEU 841 -9.663 -7.308 -0.424 38 3HD1 LEU 841 3HD1 LEU 841 -8.509 -7.533 0.912 39 1HD2 LEU 841 1HD2 LEU 841 -9.168 -4.865 -0.192 40 2HD2 LEU 841 2HD2 LEU 841 -10.877 -5.264 -0.492 41 3HD2 LEU 841 3HD2 LEU 841 -10.448 -4.067 0.754 42 H CYS 842 H CYS 842 -14.500 -4.522 2.663 43 HA CYS 842 HA CYS 842 -16.189 -6.746 2.424 44 1HB CYS 842 1HB CYS 842 -16.531 -4.831 3.973 45 2HB CYS 842 2HB CYS 842 -16.959 -3.802 2.583 46 HG CYS 842 HG CYS 842 -18.843 -5.233 4.339 47 H GLN 843 H GLN 843 -14.995 -4.777 -0.041 48 HA GLN 843 HA GLN 843 -17.301 -5.492 -1.793 49 1HB GLN 843 1HB GLN 843 -15.406 -3.253 -2.454 50 2HB GLN 843 2HB GLN 843 -17.119 -3.458 -2.891 51 1HG GLN 843 1HG GLN 843 -16.959 -3.385 -0.037 52 2HG GLN 843 2HG GLN 843 -15.987 -2.033 -0.659 53 1HE2 GLN 843 1HE2 GLN 843 -19.172 -3.659 -1.140 54 2HE2 GLN 843 2HE2 GLN 843 -20.067 -2.190 -1.461 55 H THR 844 H THR 844 -16.167 -7.585 -2.040 56 HA THR 844 HA THR 844 -14.870 -9.007 -3.278 57 HB THR 844 HB THR 844 -15.426 -6.758 -4.956 58 HG1 THR 844 1HG THR 844 -15.442 -8.376 -6.469 59 1HG2 THR 844 1HG2 THR 844 -12.559 -7.670 -4.887 60 2HG2 THR 844 2HG2 THR 844 -13.299 -7.310 -6.466 61 3HG2 THR 844 3HG2 THR 844 -13.227 -6.051 -5.209 62 H LYS 845 H LYS 845 -12.989 -6.000 -3.850 63 HA LYS 845 HA LYS 845 -10.960 -6.836 -1.910 64 1HB LYS 845 1HB LYS 845 -10.504 -6.860 -4.911 65 2HB LYS 845 2HB LYS 845 -9.175 -6.725 -3.735 66 1HG LYS 845 1HG LYS 845 -11.254 -8.933 -3.576 67 2HG LYS 845 2HG LYS 845 -9.768 -9.100 -4.541 68 1HD LYS 845 1HD LYS 845 -8.772 -9.793 -2.629 69 2HD LYS 845 2HD LYS 845 -8.856 -8.096 -2.100 70 1HE LYS 845 1HE LYS 845 -9.853 -9.601 -0.414 71 2HE LYS 845 2HE LYS 845 -11.074 -8.509 -1.102 72 1HZ LYS 845 1HZ LYS 845 -11.349 -11.125 -0.920 73 2HZ LYS 845 2HZ LYS 845 -12.131 -10.194 -2.035 74 3HZ LYS 845 3HZ LYS 845 -10.760 -11.009 -2.456 75 H VAL 846 H VAL 846 -12.829 -4.550 -3.360 76 HA VAL 846 HA VAL 846 -12.568 -2.277 -3.817 77 HB VAL 846 HB VAL 846 -11.750 -1.148 -1.630 78 1HG1 VAL 846 1HG1 VAL 846 -14.149 -1.869 -2.380 79 2HG1 VAL 846 2HG1 VAL 846 -13.942 -3.193 -1.209 80 3HG1 VAL 846 3HG1 VAL 846 -13.870 -1.501 -0.661 81 1HG2 VAL 846 1HG2 VAL 846 -10.779 -3.767 -1.210 82 2HG2 VAL 846 2HG2 VAL 846 -10.834 -2.442 -0.022 83 3HG2 VAL 846 3HG2 VAL 846 -12.179 -3.604 -0.123 84 H LEU 847 H LEU 847 -11.145 -0.469 -4.212 85 HA LEU 847 HA LEU 847 -8.277 -0.830 -3.888 86 1HB LEU 847 1HB LEU 847 -9.340 -0.656 -6.722 87 2HB LEU 847 2HB LEU 847 -7.681 -1.004 -6.180 88 HG LEU 847 HG LEU 847 -8.907 -3.055 -6.935 89 1HD1 LEU 847 1HD1 LEU 847 -8.726 -3.977 -4.287 90 2HD1 LEU 847 2HD1 LEU 847 -7.420 -3.961 -5.495 91 3HD1 LEU 847 3HD1 LEU 847 -7.597 -2.602 -4.360 92 1HD2 LEU 847 1HD2 LEU 847 -10.543 -3.475 -4.627 93 2HD2 LEU 847 2HD2 LEU 847 -10.963 -1.878 -5.294 94 3HD2 LEU 847 3HD2 LEU 847 -11.058 -3.326 -6.325 95 H LEU 848 H LEU 848 -10.079 0.883 -6.464 96 HA LEU 848 HA LEU 848 -10.464 3.117 -6.806 97 1HB LEU 848 1HB LEU 848 -10.117 3.011 -3.823 98 2HB LEU 848 2HB LEU 848 -10.111 4.598 -4.629 99 HG LEU 848 HG LEU 848 -12.263 2.526 -5.173 100 1HD1 LEU 848 1HD1 LEU 848 -11.785 3.841 -2.700 101 2HD1 LEU 848 2HD1 LEU 848 -13.133 4.708 -3.474 102 3HD1 LEU 848 3HD1 LEU 848 -13.249 2.955 -3.191 103 1HD2 LEU 848 1HD2 LEU 848 -12.696 4.104 -6.749 104 2HD2 LEU 848 2HD2 LEU 848 -13.304 5.085 -5.394 105 3HD2 LEU 848 3HD2 LEU 848 -11.632 5.299 -5.968 106 H ASP 849 H ASP 849 -9.279 5.294 -6.781 107 HA ASP 849 HA ASP 849 -6.478 4.751 -7.409 108 1HB ASP 849 1HB ASP 849 -8.135 7.300 -7.516 109 2HB ASP 849 2HB ASP 849 -6.496 7.103 -8.172 110 H ILE 850 H ILE 850 -6.702 4.184 -4.788 111 HA ILE 850 HA ILE 850 -6.306 6.466 -3.073 112 HB ILE 850 HB ILE 850 -5.199 3.879 -2.190 113 1HG1 ILE 850 1HG1 ILE 850 -7.122 3.418 -3.952 114 2HG1 ILE 850 2HG1 ILE 850 -7.107 2.548 -2.399 115 1HG2 ILE 850 1HG2 ILE 850 -7.623 4.937 -0.913 116 2HG2 ILE 850 2HG2 ILE 850 -6.006 4.659 -0.223 117 3HG2 ILE 850 3HG2 ILE 850 -6.355 6.173 -1.093 118 1HD1 ILE 850 1HD1 ILE 850 -8.916 4.744 -3.348 119 2HD1 ILE 850 2HD1 ILE 850 -9.287 3.310 -2.362 120 3HD1 ILE 850 3HD1 ILE 850 -8.490 4.718 -1.620 121 H PHE 851 H PHE 851 -3.945 3.834 -3.073 122 HA PHE 851 HA PHE 851 -1.736 5.542 -2.723 123 1HB PHE 851 1HB PHE 851 -1.575 2.838 -4.056 124 2HB PHE 851 2HB PHE 851 -0.417 3.602 -2.955 125 HD1 PHE 851 1HD PHE 851 -2.604 0.985 -3.149 126 HD2 PHE 851 2HD PHE 851 -1.751 4.341 -0.608 127 HE1 PHE 851 1HE PHE 851 -3.647 -0.199 -1.236 128 HE2 PHE 851 2HE PHE 851 -2.795 3.157 1.306 129 HZ PHE 851 HZ PHE 851 -3.742 0.887 0.991 130 H THR 852 H THR 852 -3.645 5.914 -5.193 131 HA THR 852 HA THR 852 -2.679 5.536 -7.631 132 HB THR 852 HB THR 852 -4.286 7.442 -6.529 133 HG1 THR 852 1HG THR 852 -4.665 6.861 -8.563 134 1HG2 THR 852 1HG2 THR 852 -3.353 9.646 -7.276 135 2HG2 THR 852 2HG2 THR 852 -2.426 8.918 -5.942 136 3HG2 THR 852 3HG2 THR 852 -1.801 8.840 -7.607 137 H GLY 853 H GLY 853 -0.607 5.151 -8.209 138 1HA GLY 853 1HA GLY 853 1.614 5.544 -8.632 139 2HA GLY 853 2HA GLY 853 1.241 7.278 -8.497 140 H VAL 854 H VAL 854 1.226 4.507 -6.180 141 HA VAL 854 HA VAL 854 3.019 6.132 -4.436 142 HB VAL 854 HB VAL 854 0.520 4.564 -3.854 143 1HG1 VAL 854 1HG1 VAL 854 1.242 4.456 -1.453 144 2HG1 VAL 854 2HG1 VAL 854 2.209 3.408 -2.518 145 3HG1 VAL 854 3HG1 VAL 854 2.873 4.961 -1.957 146 1HG2 VAL 854 1HG2 VAL 854 0.362 6.499 -2.169 147 2HG2 VAL 854 2HG2 VAL 854 1.790 7.184 -2.981 148 3HG2 VAL 854 3HG2 VAL 854 0.279 6.943 -3.891 149 H ARG 855 H ARG 855 4.994 5.233 -4.492 150 HA ARG 855 HA ARG 855 5.340 2.412 -5.116 151 1HB ARG 855 1HB ARG 855 7.246 4.660 -4.372 152 2HB ARG 855 2HB ARG 855 7.774 3.003 -4.749 153 1HG ARG 855 1HG ARG 855 6.517 3.210 -6.948 154 2HG ARG 855 2HG ARG 855 6.286 4.934 -6.572 155 1HD ARG 855 1HD ARG 855 9.040 3.686 -6.479 156 2HD ARG 855 2HD ARG 855 8.344 4.224 -8.022 157 HE ARG 855 HE ARG 855 9.353 5.896 -5.865 158 1HH1 ARG 855 2HH2 ARG 855 7.132 5.681 -8.608 159 2HH1 ARG 855 1HH2 ARG 855 7.093 7.407 -8.888 160 1HH2 ARG 855 2HH1 ARG 855 9.301 8.177 -6.235 161 2HH2 ARG 855 1HH1 ARG 855 8.330 8.830 -7.535 162 H LEU 856 H LEU 856 3.797 2.131 -3.052 163 HA LEU 856 HA LEU 856 5.256 2.202 -0.523 164 1HB LEU 856 1HB LEU 856 2.916 2.659 -0.407 165 2HB LEU 856 2HB LEU 856 2.514 1.227 -1.385 166 HG LEU 856 HG LEU 856 2.493 1.306 1.374 167 1HD1 LEU 856 1HD1 LEU 856 2.192 -0.586 -0.745 168 2HD1 LEU 856 2HD1 LEU 856 3.189 -1.358 0.511 169 3HD1 LEU 856 3HD1 LEU 856 1.585 -0.707 0.924 170 1HD2 LEU 856 1HD2 LEU 856 4.889 -0.393 0.862 171 2HD2 LEU 856 2HD2 LEU 856 5.166 1.365 0.852 172 3HD2 LEU 856 3HD2 LEU 856 4.465 0.582 2.289 173 H TYR 857 H TYR 857 6.654 0.671 0.095 174 HA TYR 857 HA TYR 857 6.822 -1.836 -1.373 175 1HB TYR 857 1HB TYR 857 8.934 -1.272 -0.792 176 2HB TYR 857 2HB TYR 857 8.406 -0.312 0.600 177 HD1 TYR 857 1HD TYR 857 7.756 -3.925 -0.126 178 HD2 TYR 857 2HD TYR 857 9.777 -1.056 2.351 179 HE1 TYR 857 1HE TYR 857 8.471 -5.746 1.399 180 HE2 TYR 857 2HE TYR 857 10.492 -2.877 3.876 181 HH TYR 857 HH TYR 857 10.322 -5.106 4.384 182 H LEU 858 H LEU 858 5.238 -3.301 -0.993 183 HA LEU 858 HA LEU 858 4.146 -3.601 1.715 184 1HB LEU 858 1HB LEU 858 2.724 -3.646 -0.358 185 2HB LEU 858 2HB LEU 858 3.536 -5.159 -0.824 186 HG LEU 858 HG LEU 858 2.365 -6.382 0.690 187 1HD1 LEU 858 1HD1 LEU 858 3.565 -5.658 2.617 188 2HD1 LEU 858 2HD1 LEU 858 2.860 -4.025 2.539 189 3HD1 LEU 858 3HD1 LEU 858 1.850 -5.409 3.024 190 1HD2 LEU 858 1HD2 LEU 858 0.802 -4.290 -0.247 191 2HD2 LEU 858 2HD2 LEU 858 0.194 -5.717 0.626 192 3HD2 LEU 858 3HD2 LEU 858 0.541 -4.213 1.512 193 HA PRO 859 HA PRO 859 7.298 -6.706 2.465 194 1HB PRO 859 1HB PRO 859 6.865 -6.924 5.146 195 2HB PRO 859 2HB PRO 859 7.651 -5.479 4.429 196 1HG PRO 859 1HG PRO 859 4.721 -5.821 5.132 197 2HG PRO 859 2HG PRO 859 5.810 -4.483 5.626 198 1HD PRO 859 1HD PRO 859 4.171 -4.256 3.460 199 2HD PRO 859 2HD PRO 859 5.835 -3.598 3.412 200 HA PRO 860 HA PRO 860 4.700 -10.270 2.239 201 1HB PRO 860 1HB PRO 860 6.515 -12.224 2.795 202 2HB PRO 860 2HB PRO 860 6.625 -11.228 1.308 203 1HG PRO 860 1HG PRO 860 8.079 -10.782 3.931 204 2HG PRO 860 2HG PRO 860 8.798 -10.869 2.289 205 1HD PRO 860 1HD PRO 860 8.180 -8.479 3.446 206 2HD PRO 860 2HD PRO 860 7.877 -8.749 1.703 207 H SER 861 H SER 861 6.448 -9.282 5.106 208 HA SER 861 HA SER 861 5.211 -11.293 6.827 209 1HB SER 861 1HB SER 861 7.394 -9.423 6.960 210 2HB SER 861 2HB SER 861 6.290 -9.116 8.322 211 HG SER 861 HG SER 861 6.981 -10.882 9.181 212 H THR 862 H THR 862 4.352 -8.259 5.448 213 HA THR 862 HA THR 862 2.727 -7.230 7.565 214 HB THR 862 HB THR 862 3.288 -6.666 4.737 215 HG1 THR 862 1HG THR 862 2.887 -4.543 5.615 216 1HG2 THR 862 1HG2 THR 862 0.835 -7.252 4.640 217 2HG2 THR 862 2HG2 THR 862 0.533 -5.972 5.840 218 3HG2 THR 862 3HG2 THR 862 1.184 -5.553 4.237 219 HA PRO 863 HA PRO 863 -0.682 -10.016 7.357 220 1HB PRO 863 1HB PRO 863 -2.517 -8.565 8.755 221 2HB PRO 863 2HB PRO 863 -1.043 -9.227 9.534 222 1HG PRO 863 1HG PRO 863 -1.438 -6.433 8.424 223 2HG PRO 863 2HG PRO 863 -0.853 -6.882 10.059 224 1HD PRO 863 1HD PRO 863 0.881 -6.293 8.040 225 2HD PRO 863 2HD PRO 863 1.234 -7.628 9.179 226 H ASP 864 H ASP 864 -2.548 -10.324 6.113 227 HA ASP 864 HA ASP 864 -4.150 -9.876 4.529 228 1HB ASP 864 1HB ASP 864 -3.853 -7.394 5.936 229 2HB ASP 864 2HB ASP 864 -3.994 -7.040 4.200 230 H PHE 865 H PHE 865 -0.954 -9.603 4.273 231 HA PHE 865 HA PHE 865 -0.203 -8.112 2.112 232 1HB PHE 865 1HB PHE 865 1.094 -9.854 3.507 233 2HB PHE 865 2HB PHE 865 0.525 -11.038 2.318 234 HD1 PHE 865 1HD PHE 865 1.966 -7.560 2.201 235 HD2 PHE 865 2HD PHE 865 2.096 -11.591 0.723 236 HE1 PHE 865 1HE PHE 865 3.838 -6.947 0.694 237 HE2 PHE 865 2HE PHE 865 3.969 -10.978 -0.783 238 HZ PHE 865 HZ PHE 865 4.840 -8.656 -0.798 239 H SER 866 H SER 866 -1.843 -11.317 1.973 240 HA SER 866 HA SER 866 -1.969 -12.024 -0.567 241 1HB SER 866 1HB SER 866 -3.451 -13.091 0.954 242 2HB SER 866 2HB SER 866 -4.315 -11.574 1.301 243 HG SER 866 HG SER 866 -4.398 -13.203 -0.991 244 H ARG 867 H ARG 867 -4.592 -9.759 0.366 245 HA ARG 867 HA ARG 867 -4.751 -8.752 -2.342 246 1HB ARG 867 1HB ARG 867 -6.029 -7.552 0.133 247 2HB ARG 867 2HB ARG 867 -6.613 -7.507 -1.548 248 1HG ARG 867 1HG ARG 867 -7.888 -9.292 -0.949 249 2HG ARG 867 2HG ARG 867 -6.378 -10.224 -1.086 250 1HD ARG 867 1HD ARG 867 -6.119 -10.394 1.182 251 2HD ARG 867 2HD ARG 867 -6.785 -8.775 1.484 252 HE ARG 867 HE ARG 867 -8.895 -10.427 0.576 253 1HH1 ARG 867 2HH2 ARG 867 -6.685 -10.107 3.318 254 2HH1 ARG 867 1HH2 ARG 867 -7.800 -10.803 4.473 255 1HH2 ARG 867 2HH1 ARG 867 -10.367 -11.346 2.102 256 2HH2 ARG 867 1HH1 ARG 867 -9.899 -11.509 3.780 257 H LEU 868 H LEU 868 -3.458 -7.590 0.782 258 HA LEU 868 HA LEU 868 -2.965 -4.972 0.450 259 1HB LEU 868 1HB LEU 868 -1.461 -7.221 1.625 260 2HB LEU 868 2HB LEU 868 -0.447 -5.819 1.205 261 HG LEU 868 HG LEU 868 -2.325 -6.125 3.396 262 1HD1 LEU 868 1HD1 LEU 868 -0.009 -4.557 2.570 263 2HD1 LEU 868 2HD1 LEU 868 -1.219 -3.530 3.375 264 3HD1 LEU 868 3HD1 LEU 868 -0.569 -4.961 4.210 265 1HD2 LEU 868 1HD2 LEU 868 -2.781 -3.706 1.601 266 2HD2 LEU 868 2HD2 LEU 868 -3.890 -5.095 1.705 267 3HD2 LEU 868 3HD2 LEU 868 -3.604 -4.075 3.136 268 H ARG 869 H ARG 869 -0.962 -7.540 -1.100 269 HA ARG 869 HA ARG 869 0.661 -5.709 -2.570 270 1HB ARG 869 1HB ARG 869 1.208 -8.108 -2.051 271 2HB ARG 869 2HB ARG 869 -0.025 -8.596 -3.239 272 1HG ARG 869 1HG ARG 869 1.255 -7.954 -5.031 273 2HG ARG 869 2HG ARG 869 1.966 -6.573 -4.162 274 1HD ARG 869 1HD ARG 869 3.794 -8.016 -4.326 275 2HD ARG 869 2HD ARG 869 3.143 -8.436 -2.726 276 HE ARG 869 HE ARG 869 2.975 -10.059 -5.197 277 1HH1 ARG 869 2HH2 ARG 869 2.189 -9.588 -1.782 278 2HH1 ARG 869 1HH2 ARG 869 1.774 -11.265 -1.505 279 1HH2 ARG 869 2HH1 ARG 869 2.426 -12.274 -4.831 280 2HH2 ARG 869 1HH1 ARG 869 1.909 -12.796 -3.244 281 H ARG 870 H ARG 870 -1.275 -8.132 -4.297 282 HA ARG 870 HA ARG 870 -1.683 -6.876 -6.637 283 1HB ARG 870 1HB ARG 870 -2.617 -9.062 -6.216 284 2HB ARG 870 2HB ARG 870 -3.739 -8.406 -5.001 285 1HG ARG 870 1HG ARG 870 -4.943 -8.739 -7.101 286 2HG ARG 870 2HG ARG 870 -4.779 -6.993 -6.795 287 1HD ARG 870 1HD ARG 870 -3.659 -6.723 -8.725 288 2HD ARG 870 2HD ARG 870 -2.453 -7.928 -8.224 289 HE ARG 870 HE ARG 870 -4.818 -9.263 -9.101 290 1HH1 ARG 870 2HH2 ARG 870 -2.096 -7.354 -10.305 291 2HH1 ARG 870 1HH2 ARG 870 -2.102 -8.093 -11.890 292 1HH2 ARG 870 2HH1 ARG 870 -4.826 -10.239 -11.196 293 2HH2 ARG 870 1HH1 ARG 870 -3.658 -9.738 -12.399 294 H TYR 871 H TYR 871 -3.920 -6.422 -3.834 295 HA TYR 871 HA TYR 871 -5.616 -4.530 -4.854 296 1HB TYR 871 1HB TYR 871 -5.561 -5.538 -2.531 297 2HB TYR 871 2HB TYR 871 -4.331 -4.333 -2.115 298 HD1 TYR 871 1HD TYR 871 -7.466 -4.035 -4.157 299 HD2 TYR 871 2HD TYR 871 -5.317 -2.830 -0.638 300 HE1 TYR 871 1HE TYR 871 -9.250 -2.395 -3.629 301 HE2 TYR 871 2HE TYR 871 -7.101 -1.191 -0.110 302 HH TYR 871 HH TYR 871 -9.701 -0.956 -0.704 303 H PHE 872 H PHE 872 -2.605 -3.668 -3.047 304 HA PHE 872 HA PHE 872 -2.621 -0.943 -3.636 305 1HB PHE 872 1HB PHE 872 -1.104 -2.301 -2.080 306 2HB PHE 872 2HB PHE 872 -0.122 -2.646 -3.514 307 HD1 PHE 872 1HD PHE 872 -0.184 -0.675 -0.728 308 HD2 PHE 872 2HD PHE 872 0.172 -0.280 -4.990 309 HE1 PHE 872 1HE PHE 872 1.004 1.481 -0.429 310 HE2 PHE 872 2HE PHE 872 1.360 1.877 -4.691 311 HZ PHE 872 HZ PHE 872 1.776 2.757 -2.410 312 H VAL 873 H VAL 873 0.033 -2.756 -5.104 313 HA VAL 873 HA VAL 873 0.519 -1.274 -7.285 314 HB VAL 873 HB VAL 873 1.850 -3.190 -7.014 315 1HG1 VAL 873 1HG1 VAL 873 -0.216 -4.365 -5.845 316 2HG1 VAL 873 2HG1 VAL 873 -0.451 -5.090 -7.454 317 3HG1 VAL 873 3HG1 VAL 873 1.076 -5.348 -6.575 318 1HG2 VAL 873 1HG2 VAL 873 0.086 -4.120 -9.295 319 2HG2 VAL 873 2HG2 VAL 873 1.054 -2.633 -9.434 320 3HG2 VAL 873 3HG2 VAL 873 1.858 -4.196 -9.152 321 H ALA 874 H ALA 874 -2.313 -3.362 -6.842 322 HA ALA 874 HA ALA 874 -3.241 -3.362 -9.518 323 1HB ALA 874 1HB ALA 874 -4.559 -3.644 -6.809 324 2HB ALA 874 2HB ALA 874 -5.518 -3.664 -8.308 325 3HB ALA 874 3HB ALA 874 -4.258 -4.893 -8.041 326 H PHE 875 H PHE 875 -4.124 -1.226 -6.742 327 HA PHE 875 HA PHE 875 -5.936 0.453 -7.866 328 1HB PHE 875 1HB PHE 875 -3.500 1.320 -6.274 329 2HB PHE 875 2HB PHE 875 -5.002 2.240 -6.461 330 HD1 PHE 875 1HD PHE 875 -4.557 2.082 -3.817 331 HD2 PHE 875 2HD PHE 875 -5.877 -1.152 -6.317 332 HE1 PHE 875 1HE PHE 875 -5.503 0.934 -1.833 333 HE2 PHE 875 2HE PHE 875 -6.823 -2.300 -4.333 334 HZ PHE 875 HZ PHE 875 -6.637 -1.257 -2.091 335 H ASP 876 H ASP 876 -2.383 0.591 -8.389 336 HA ASP 876 HA ASP 876 -2.049 1.107 -10.926 337 1HB ASP 876 1HB ASP 876 -3.670 3.365 -9.820 338 2HB ASP 876 2HB ASP 876 -2.395 3.769 -10.991 339 H GLY 877 H GLY 877 -1.133 1.385 -7.823 340 1HA GLY 877 1HA GLY 877 0.969 3.393 -8.095 341 2HA GLY 877 2HA GLY 877 0.680 2.317 -6.709 342 H ASP 878 H ASP 878 2.666 1.392 -6.396 343 HA ASP 878 HA ASP 878 3.555 -0.517 -8.425 344 1HB ASP 878 1HB ASP 878 4.958 2.054 -7.854 345 2HB ASP 878 2HB ASP 878 5.968 0.597 -7.969 346 H LEU 879 H LEU 879 4.790 -2.186 -7.534 347 HA LEU 879 HA LEU 879 5.196 -2.004 -4.585 348 1HB LEU 879 1HB LEU 879 4.120 -4.242 -6.321 349 2HB LEU 879 2HB LEU 879 4.808 -4.552 -4.710 350 HG LEU 879 HG LEU 879 2.174 -3.833 -5.229 351 1HD1 LEU 879 1HD1 LEU 879 2.517 -4.802 -3.164 352 2HD1 LEU 879 2HD1 LEU 879 4.006 -3.876 -2.859 353 3HD1 LEU 879 3HD1 LEU 879 2.418 -3.101 -2.647 354 1HD2 LEU 879 1HD2 LEU 879 2.959 -1.534 -5.807 355 2HD2 LEU 879 2HD2 LEU 879 1.920 -1.551 -4.362 356 3HD2 LEU 879 3HD2 LEU 879 3.685 -1.399 -4.188 357 H VAL 880 H VAL 880 7.280 -2.132 -4.022 358 HA VAL 880 HA VAL 880 9.132 -3.521 -5.900 359 HB VAL 880 HB VAL 880 10.399 -1.746 -3.967 360 1HG1 VAL 880 1HG1 VAL 880 11.139 -2.748 -6.277 361 2HG1 VAL 880 2HG1 VAL 880 10.249 -1.368 -6.964 362 3HG1 VAL 880 3HG1 VAL 880 11.619 -1.085 -5.863 363 1HG2 VAL 880 1HG2 VAL 880 8.091 -0.722 -5.633 364 2HG2 VAL 880 2HG2 VAL 880 8.518 -0.333 -3.950 365 3HG2 VAL 880 3HG2 VAL 880 9.487 0.327 -5.289 366 H GLN 881 H GLN 881 10.409 -5.144 -5.119 367 HA GLN 881 HA GLN 881 9.681 -6.357 -2.629 368 1HB GLN 881 1HB GLN 881 12.164 -6.875 -4.303 369 2HB GLN 881 2HB GLN 881 11.347 -7.999 -3.191 370 1HG GLN 881 1HG GLN 881 9.803 -8.577 -4.743 371 2HG GLN 881 2HG GLN 881 9.539 -6.887 -5.225 372 1HE2 GLN 881 1HE2 GLN 881 10.277 -6.239 -7.180 373 2HE2 GLN 881 2HE2 GLN 881 11.428 -7.119 -8.163 374 H GLU 882 H GLU 882 10.532 -6.161 -0.619 375 HA GLU 882 HA GLU 882 11.759 -4.083 0.453 376 1HB GLU 882 1HB GLU 882 11.242 -6.102 1.733 377 2HB GLU 882 2HB GLU 882 12.597 -6.964 0.966 378 1HG GLU 882 1HG GLU 882 13.809 -4.660 1.908 379 2HG GLU 882 2HG GLU 882 12.606 -5.000 3.171 380 H PHE 883 H PHE 883 13.903 -6.790 -0.595 381 HA PHE 883 HA PHE 883 16.224 -5.121 -0.655 382 1HB PHE 883 1HB PHE 883 17.331 -7.035 -1.542 383 2HB PHE 883 2HB PHE 883 16.138 -7.625 -0.372 384 HD1 PHE 883 1HD PHE 883 17.072 -7.450 -3.925 385 HD2 PHE 883 2HD PHE 883 14.150 -8.844 -1.103 386 HE1 PHE 883 1HE PHE 883 16.100 -8.929 -5.663 387 HE2 PHE 883 2HE PHE 883 13.178 -10.323 -2.840 388 HZ PHE 883 HZ PHE 883 14.153 -10.366 -5.120 389 H ASP 884 H ASP 884 13.623 -4.615 -2.416 390 HA ASP 884 HA ASP 884 15.201 -3.743 -4.770 391 1HB ASP 884 1HB ASP 884 12.595 -5.307 -4.830 392 2HB ASP 884 2HB ASP 884 13.303 -4.478 -6.233 393 H MET 885 H MET 885 15.077 -1.652 -3.732 394 HA MET 885 HA MET 885 12.458 -0.361 -4.236 395 1HB MET 885 1HB MET 885 13.208 0.980 -2.018 396 2HB MET 885 2HB MET 885 12.158 -0.456 -1.966 397 1HG MET 885 1HG MET 885 14.345 -1.817 -1.826 398 2HG MET 885 2HG MET 885 15.137 -0.276 -1.456 399 1HE MET 885 1HE MET 885 12.368 -2.618 -0.790 400 2HE MET 885 2HE MET 885 12.291 -2.818 0.977 401 3HE MET 885 3HE MET 885 11.402 -1.490 0.192 402 H THR 886 H THR 886 15.973 -0.174 -3.724 403 HA THR 886 HA THR 886 16.914 2.211 -3.872 404 HB THR 886 HB THR 886 18.491 1.626 -5.532 405 HG1 THR 886 1HG THR 886 16.615 -0.210 -6.601 406 1HG2 THR 886 1HG2 THR 886 18.148 -0.024 -3.569 407 2HG2 THR 886 2HG2 THR 886 17.377 -1.091 -4.766 408 3HG2 THR 886 3HG2 THR 886 19.078 -0.608 -4.969 409 H SER 887 H SER 887 15.031 1.007 -6.704 410 HA SER 887 HA SER 887 14.762 3.795 -7.644 411 1HB SER 887 1HB SER 887 14.630 1.085 -8.829 412 2HB SER 887 2HB SER 887 13.410 2.226 -9.442 413 HG SER 887 HG SER 887 15.491 3.663 -9.399 414 H ALA 888 H ALA 888 13.129 1.490 -5.721 415 HA ALA 888 HA ALA 888 10.438 1.826 -6.358 416 1HB ALA 888 1HB ALA 888 10.114 1.501 -3.827 417 2HB ALA 888 2HB ALA 888 11.024 0.239 -4.692 418 3HB ALA 888 3HB ALA 888 11.891 1.455 -3.723 419 H THR 889 H THR 889 9.286 2.972 -3.986 420 HA THR 889 HA THR 889 10.183 5.751 -3.870 421 HB THR 889 HB THR 889 8.515 5.160 -5.944 422 HG1 THR 889 1HG THR 889 8.139 7.351 -5.932 423 1HG2 THR 889 1HG2 THR 889 6.680 6.167 -3.744 424 2HG2 THR 889 2HG2 THR 889 6.243 5.603 -5.375 425 3HG2 THR 889 3HG2 THR 889 6.806 4.439 -4.152 426 H HIS 890 H HIS 890 7.731 3.262 -3.107 427 HA HIS 890 HA HIS 890 7.396 4.584 -0.453 428 1HB HIS 890 1HB HIS 890 5.452 3.263 -2.328 429 2HB HIS 890 2HB HIS 890 5.159 3.192 -0.581 430 HD1 HIS 890 1HD HIS 890 5.183 5.680 -3.481 431 HD2 HIS 890 2HD HIS 890 4.551 5.506 0.676 432 HE1 HIS 890 1HE HIS 890 4.119 7.904 -2.805 433 H VAL 891 H VAL 891 7.162 3.178 1.375 434 HA VAL 891 HA VAL 891 7.788 0.328 0.935 435 HB VAL 891 HB VAL 891 9.608 0.501 2.688 436 1HG1 VAL 891 1HG1 VAL 891 10.403 0.204 0.495 437 2HG1 VAL 891 2HG1 VAL 891 9.781 1.781 -0.047 438 3HG1 VAL 891 3HG1 VAL 891 11.217 1.704 1.001 439 1HG2 VAL 891 1HG2 VAL 891 8.923 2.708 3.592 440 2HG2 VAL 891 2HG2 VAL 891 10.613 2.732 3.033 441 3HG2 VAL 891 3HG2 VAL 891 9.335 3.468 2.036 442 H LEU 892 H LEU 892 6.534 -0.879 2.232 443 HA LEU 892 HA LEU 892 4.909 0.439 4.259 444 1HB LEU 892 1HB LEU 892 4.614 -1.759 2.580 445 2HB LEU 892 2HB LEU 892 4.856 -2.496 4.183 446 HG LEU 892 HG LEU 892 3.068 -0.144 4.212 447 1HD1 LEU 892 1HD1 LEU 892 1.165 -1.682 3.302 448 2HD1 LEU 892 2HD1 LEU 892 2.218 -0.855 2.128 449 3HD1 LEU 892 3HD1 LEU 892 2.482 -2.575 2.504 450 1HD2 LEU 892 1HD2 LEU 892 3.428 -1.691 6.118 451 2HD2 LEU 892 2HD2 LEU 892 1.725 -1.684 5.601 452 3HD2 LEU 892 3HD2 LEU 892 2.789 -3.035 5.141 453 H GLY 893 H GLY 893 5.521 0.734 6.315 454 1HA GLY 893 1HA GLY 893 6.673 0.498 8.288 455 2HA GLY 893 2HA GLY 893 6.571 -1.253 7.990 456 H SER 894 H SER 894 8.673 1.345 8.408 457 HA SER 894 HA SER 894 10.981 1.341 8.436 458 1HB SER 894 1HB SER 894 10.592 -1.389 7.162 459 2HB SER 894 2HB SER 894 12.194 -0.677 7.475 460 HG SER 894 HG SER 894 10.219 -0.861 9.487 461 H ARG 895 H ARG 895 12.837 1.485 6.793 462 HA ARG 895 HA ARG 895 11.869 1.921 4.035 463 1HB ARG 895 1HB ARG 895 13.080 4.162 4.063 464 2HB ARG 895 2HB ARG 895 11.556 4.100 4.980 465 1HG ARG 895 1HG ARG 895 12.707 3.927 7.071 466 2HG ARG 895 2HG ARG 895 14.259 3.581 6.270 467 1HD ARG 895 1HD ARG 895 13.285 6.042 5.202 468 2HD ARG 895 2HD ARG 895 13.115 6.135 6.968 469 HE ARG 895 HE ARG 895 15.654 5.117 6.591 470 1HH1 ARG 895 2HH2 ARG 895 13.876 7.961 5.472 471 2HH1 ARG 895 1HH2 ARG 895 15.298 8.974 5.358 472 1HH2 ARG 895 2HH1 ARG 895 17.532 6.455 6.440 473 2HH2 ARG 895 1HH1 ARG 895 17.382 8.115 5.909 474 H ASP 896 H ASP 896 14.477 1.589 6.417 475 HA ASP 896 HA ASP 896 16.839 1.737 5.447 476 1HB ASP 896 1HB ASP 896 16.595 0.184 7.207 477 2HB ASP 896 2HB ASP 896 15.527 -0.867 6.251 478 H LYS 897 H LYS 897 15.291 -1.252 4.201 479 HA LYS 897 HA LYS 897 16.772 -1.804 2.050 480 1HB LYS 897 1HB LYS 897 14.139 -1.891 1.006 481 2HB LYS 897 2HB LYS 897 15.041 -3.209 1.790 482 1HG LYS 897 1HG LYS 897 13.105 -3.036 3.120 483 2HG LYS 897 2HG LYS 897 14.293 -2.067 4.023 484 1HD LYS 897 1HD LYS 897 13.402 -0.062 2.621 485 2HD LYS 897 2HD LYS 897 12.016 -1.120 2.264 486 1HE LYS 897 1HE LYS 897 12.171 -1.486 4.939 487 2HE LYS 897 2HE LYS 897 12.841 0.156 4.837 488 1HZ LYS 897 1HZ LYS 897 10.349 -0.154 5.060 489 2HZ LYS 897 2HZ LYS 897 10.907 0.950 3.969 490 3HZ LYS 897 3HZ LYS 897 10.371 -0.522 3.452 491 H ASN 898 H ASN 898 14.589 0.988 2.310 492 HA ASN 898 HA ASN 898 16.004 2.300 0.132 493 1HB ASN 898 1HB ASN 898 13.759 0.747 -0.530 494 2HB ASN 898 2HB ASN 898 13.156 2.417 -0.467 495 1HD2 ASN 898 1HD2 ASN 898 12.975 2.971 -2.598 496 2HD2 ASN 898 2HD2 ASN 898 14.295 2.920 -3.747 497 HA PRO 899 HA PRO 899 14.620 5.189 3.347 498 1HB PRO 899 1HB PRO 899 16.736 6.891 3.121 499 2HB PRO 899 2HB PRO 899 16.886 5.299 3.932 500 1HG PRO 899 1HG PRO 899 17.567 5.966 1.054 501 2HG PRO 899 2HG PRO 899 18.616 5.151 2.260 502 1HD PRO 899 1HD PRO 899 17.138 3.725 0.468 503 2HD PRO 899 2HD PRO 899 17.301 3.164 2.160 504 H ALA 900 H ALA 900 15.059 5.285 -0.051 505 HA ALA 900 HA ALA 900 14.236 8.097 -0.316 506 1HB ALA 900 1HB ALA 900 14.239 7.245 -2.831 507 2HB ALA 900 2HB ALA 900 15.764 7.592 -1.981 508 3HB ALA 900 3HB ALA 900 15.196 5.912 -2.141 509 H ALA 901 H ALA 901 12.739 5.188 0.353 510 HA ALA 901 HA ALA 901 10.368 5.693 -1.324 511 1HB ALA 901 1HB ALA 901 11.342 3.382 -0.926 512 2HB ALA 901 2HB ALA 901 10.812 3.532 0.766 513 3HB ALA 901 3HB ALA 901 9.611 3.549 -0.548 514 H GLN 902 H GLN 902 8.477 4.634 0.597 515 HA GLN 902 HA GLN 902 8.422 6.871 2.568 516 1HB GLN 902 1HB GLN 902 6.382 5.903 0.597 517 2HB GLN 902 2HB GLN 902 5.809 6.448 2.192 518 1HG GLN 902 1HG GLN 902 7.538 8.026 0.243 519 2HG GLN 902 2HG GLN 902 5.834 8.338 0.637 520 1HE2 GLN 902 1HE2 GLN 902 5.972 7.839 3.460 521 2HE2 GLN 902 2HE2 GLN 902 6.898 9.133 4.188 522 H GLN 903 H GLN 903 7.994 6.310 4.648 523 HA GLN 903 HA GLN 903 7.727 3.430 5.206 524 1HB GLN 903 1HB GLN 903 8.358 5.887 6.868 525 2HB GLN 903 2HB GLN 903 8.049 4.295 7.602 526 1HG GLN 903 1HG GLN 903 10.131 3.610 7.094 527 2HG GLN 903 2HG GLN 903 9.876 4.001 5.380 528 1HE2 GLN 903 1HE2 GLN 903 10.513 6.052 4.563 529 2HE2 GLN 903 2HE2 GLN 903 11.603 7.094 5.452 530 H VAL 904 H VAL 904 5.473 3.538 4.232 531 HA VAL 904 HA VAL 904 3.484 4.801 6.008 532 HB VAL 904 HB VAL 904 2.185 4.860 4.165 533 1HG1 VAL 904 1HG1 VAL 904 4.484 3.633 2.613 534 2HG1 VAL 904 2HG1 VAL 904 3.350 4.904 2.099 535 3HG1 VAL 904 3HG1 VAL 904 4.602 5.266 3.312 536 1HG2 VAL 904 1HG2 VAL 904 1.887 2.818 2.694 537 2HG2 VAL 904 2HG2 VAL 904 3.050 1.971 3.741 538 3HG2 VAL 904 3HG2 VAL 904 1.506 2.549 4.412 539 H SER 905 H SER 905 1.452 3.353 6.391 540 HA SER 905 HA SER 905 2.354 0.615 7.144 541 1HB SER 905 1HB SER 905 1.819 2.716 8.916 542 2HB SER 905 2HB SER 905 0.326 1.747 8.918 543 HG SER 905 HG SER 905 2.074 1.088 10.397 544 HA PRO 906 HA PRO 906 -1.543 -0.904 5.738 545 1HB PRO 906 1HB PRO 906 -2.875 -2.059 7.815 546 2HB PRO 906 2HB PRO 906 -1.292 -2.681 7.245 547 1HG PRO 906 1HG PRO 906 -1.795 -0.765 9.540 548 2HG PRO 906 2HG PRO 906 -0.840 -2.283 9.579 549 1HD PRO 906 1HD PRO 906 0.354 0.140 9.214 550 2HD PRO 906 2HD PRO 906 0.908 -1.293 8.294 551 H GLU 907 H GLU 907 -1.782 1.233 8.567 552 HA GLU 907 HA GLU 907 -4.581 1.800 8.293 553 1HB GLU 907 1HB GLU 907 -3.158 2.163 10.348 554 2HB GLU 907 2HB GLU 907 -2.412 3.546 9.513 555 1HG GLU 907 1HG GLU 907 -4.663 4.560 9.221 556 2HG GLU 907 2HG GLU 907 -5.379 3.195 10.105 557 H TRP 908 H TRP 908 -1.622 3.054 6.811 558 HA TRP 908 HA TRP 908 -2.763 5.465 5.776 559 1HB TRP 908 1HB TRP 908 -0.369 5.152 5.978 560 2HB TRP 908 2HB TRP 908 -0.421 3.754 4.894 561 HD1 TRP 908 HD TRP 908 -0.690 7.570 4.878 562 HE1 TRP 908 1HE TRP 908 -0.226 8.461 2.537 563 HE3 TRP 908 3HE TRP 908 -0.445 3.123 2.355 564 HZ2 TRP 908 2HZ TRP 908 0.200 7.384 -0.115 565 HZ3 TRP 908 3HZ TRP 908 -0.009 3.096 -0.074 566 HH2 TRP 908 HH TRP 908 0.315 5.212 -1.321 567 H ILE 909 H ILE 909 -2.216 2.203 4.350 568 HA ILE 909 HA ILE 909 -3.206 2.686 1.791 569 HB ILE 909 HB ILE 909 -2.979 0.323 3.605 570 1HG1 ILE 909 1HG1 ILE 909 -2.258 -0.091 0.847 571 2HG1 ILE 909 2HG1 ILE 909 -1.633 1.493 1.367 572 1HG2 ILE 909 1HG2 ILE 909 -4.021 -0.875 1.398 573 2HG2 ILE 909 2HG2 ILE 909 -4.990 -0.470 2.835 574 3HG2 ILE 909 3HG2 ILE 909 -4.995 0.615 1.424 575 1HD1 ILE 909 1HD1 ILE 909 -0.790 -1.212 2.162 576 2HD1 ILE 909 2HD1 ILE 909 0.071 0.338 2.316 577 3HD1 ILE 909 3HD1 ILE 909 -1.110 -0.152 3.555 578 H TRP 910 H TRP 910 -5.051 1.509 4.667 579 HA TRP 910 HA TRP 910 -7.583 1.518 3.431 580 1HB TRP 910 1HB TRP 910 -7.026 2.195 6.326 581 2HB TRP 910 2HB TRP 910 -8.469 1.430 5.646 582 HD1 TRP 910 HD TRP 910 -5.668 0.552 7.642 583 HE1 TRP 910 1HE TRP 910 -5.043 -1.914 7.513 584 HE3 TRP 910 3HE TRP 910 -8.243 -0.713 3.403 585 HZ2 TRP 910 2HZ TRP 910 -5.588 -4.170 5.785 586 HZ3 TRP 910 3HZ TRP 910 -8.166 -3.026 2.548 587 HH2 TRP 910 HH TRP 910 -6.846 -4.762 3.723 588 H ALA 911 H ALA 911 -6.151 4.029 5.600 589 HA ALA 911 HA ALA 911 -8.170 5.939 5.294 590 1HB ALA 911 1HB ALA 911 -5.198 6.108 5.841 591 2HB ALA 911 2HB ALA 911 -6.204 7.573 5.745 592 3HB ALA 911 3HB ALA 911 -6.557 6.331 6.969 593 H CYS 912 H CYS 912 -5.457 5.090 3.170 594 HA CYS 912 HA CYS 912 -5.718 7.386 1.453 595 1HB CYS 912 1HB CYS 912 -4.453 4.645 1.061 596 2HB CYS 912 2HB CYS 912 -4.294 6.003 -0.081 597 HG CYS 912 HG CYS 912 -2.400 6.911 0.953 598 H ILE 913 H ILE 913 -6.153 3.980 0.418 599 HA ILE 913 HA ILE 913 -7.719 4.352 -1.766 600 HB ILE 913 HB ILE 913 -7.089 2.138 -1.210 601 1HG1 ILE 913 1HG1 ILE 913 -10.072 2.310 -0.607 602 2HG1 ILE 913 2HG1 ILE 913 -9.368 2.374 -2.241 603 1HG2 ILE 913 1HG2 ILE 913 -8.702 1.551 1.104 604 2HG2 ILE 913 2HG2 ILE 913 -6.930 1.490 0.942 605 3HG2 ILE 913 3HG2 ILE 913 -7.726 3.001 1.443 606 1HD1 ILE 913 1HD1 ILE 913 -10.172 0.062 -1.078 607 2HD1 ILE 913 2HD1 ILE 913 -8.829 0.139 -2.244 608 3HD1 ILE 913 3HD1 ILE 913 -8.491 0.112 -0.496 609 H ARG 914 H ARG 914 -8.899 4.266 1.629 610 HA ARG 914 HA ARG 914 -11.648 4.637 0.965 611 1HB ARG 914 1HB ARG 914 -10.609 3.828 3.166 612 2HB ARG 914 2HB ARG 914 -10.283 5.542 3.518 613 1HG ARG 914 1HG ARG 914 -12.599 4.304 4.208 614 2HG ARG 914 2HG ARG 914 -12.502 6.040 3.828 615 1HD ARG 914 1HD ARG 914 -13.113 5.592 1.496 616 2HD ARG 914 2HD ARG 914 -13.129 3.844 1.813 617 HE ARG 914 HE ARG 914 -14.904 4.939 3.656 618 1HH1 ARG 914 2HH2 ARG 914 -14.531 4.873 0.141 619 2HH1 ARG 914 1HH2 ARG 914 -16.248 4.973 -0.181 620 1HH2 ARG 914 2HH1 ARG 914 -17.172 5.071 3.231 621 2HH2 ARG 914 1HH1 ARG 914 -17.754 5.086 1.582 622 H LYS 915 H LYS 915 -8.939 6.873 1.603 623 HA LYS 915 HA LYS 915 -10.648 9.222 1.548 624 1HB LYS 915 1HB LYS 915 -7.666 8.709 1.603 625 2HB LYS 915 2HB LYS 915 -8.319 10.348 1.367 626 1HG LYS 915 1HG LYS 915 -9.230 8.562 3.649 627 2HG LYS 915 2HG LYS 915 -7.817 9.634 3.795 628 1HD LYS 915 1HD LYS 915 -9.136 11.591 3.444 629 2HD LYS 915 2HD LYS 915 -10.521 10.644 2.849 630 1HE LYS 915 1HE LYS 915 -10.314 9.512 5.260 631 2HE LYS 915 2HE LYS 915 -9.549 11.065 5.660 632 1HZ LYS 915 1HZ LYS 915 -11.904 11.408 4.156 633 2HZ LYS 915 2HZ LYS 915 -12.202 10.551 5.533 634 3HZ LYS 915 3HZ LYS 915 -11.493 12.037 5.624 635 H ARG 916 H ARG 916 -9.347 7.102 -0.794 636 HA ARG 916 HA ARG 916 -9.386 7.171 -3.084 637 1HB ARG 916 1HB ARG 916 -11.239 9.331 -2.277 638 2HB ARG 916 2HB ARG 916 -10.534 9.533 -3.900 639 1HG ARG 916 1HG ARG 916 -11.456 6.782 -3.208 640 2HG ARG 916 2HG ARG 916 -12.733 8.006 -3.404 641 1HD ARG 916 1HD ARG 916 -10.748 8.316 -5.489 642 2HD ARG 916 2HD ARG 916 -11.312 6.632 -5.447 643 HE ARG 916 HE ARG 916 -13.507 7.352 -5.969 644 1HH1 ARG 916 2HH2 ARG 916 -11.197 10.012 -5.673 645 2HH1 ARG 916 1HH2 ARG 916 -12.230 11.179 -6.468 646 1HH2 ARG 916 2HH1 ARG 916 -14.872 8.893 -7.019 647 2HH2 ARG 916 1HH1 ARG 916 -14.325 10.541 -7.236 648 H ARG 917 H ARG 917 -7.796 9.335 -1.085 649 HA ARG 917 HA ARG 917 -5.974 10.082 -3.294 650 1HB ARG 917 1HB ARG 917 -5.962 12.355 -1.736 651 2HB ARG 917 2HB ARG 917 -6.845 12.174 -3.270 652 1HG ARG 917 1HG ARG 917 -8.169 11.151 -0.781 653 2HG ARG 917 2HG ARG 917 -8.079 12.916 -0.999 654 1HD ARG 917 1HD ARG 917 -8.941 12.433 -3.411 655 2HD ARG 917 2HD ARG 917 -9.411 10.847 -2.763 656 HE ARG 917 HE ARG 917 -11.182 11.856 -1.685 657 1HH1 ARG 917 2HH2 ARG 917 -8.736 14.275 -2.500 658 2HH1 ARG 917 1HH2 ARG 917 -9.705 15.632 -1.970 659 1HH2 ARG 917 2HH1 ARG 917 -12.461 13.648 -0.985 660 2HH2 ARG 917 1HH1 ARG 917 -11.829 15.275 -1.106 661 H LEU 918 H LEU 918 -4.010 9.375 -2.728 662 HA LEU 918 HA LEU 918 -3.200 8.194 -0.433 663 1HB LEU 918 1HB LEU 918 -1.755 9.946 -2.411 664 2HB LEU 918 2HB LEU 918 -0.887 9.341 -0.979 665 HG LEU 918 HG LEU 918 -0.600 7.377 -2.050 666 1HD1 LEU 918 1HD1 LEU 918 -2.505 6.570 -0.836 667 2HD1 LEU 918 2HD1 LEU 918 -3.639 7.394 -1.933 668 3HD1 LEU 918 3HD1 LEU 918 -2.705 5.991 -2.507 669 1HD2 LEU 918 1HD2 LEU 918 -2.669 7.903 -4.168 670 2HD2 LEU 918 2HD2 LEU 918 -1.233 8.954 -4.113 671 3HD2 LEU 918 3HD2 LEU 918 -1.042 7.197 -4.320 672 H VAL 919 H VAL 919 -3.086 8.710 1.666 673 HA VAL 919 HA VAL 919 -3.235 11.574 2.400 674 HB VAL 919 HB VAL 919 -4.376 10.891 4.249 675 1HG1 VAL 919 1HG1 VAL 919 -5.880 9.234 3.668 676 2HG1 VAL 919 2HG1 VAL 919 -5.120 9.493 2.080 677 3HG1 VAL 919 3HG1 VAL 919 -4.606 8.128 3.101 678 1HG2 VAL 919 1HG2 VAL 919 -3.639 8.303 4.987 679 2HG2 VAL 919 2HG2 VAL 919 -2.118 9.015 4.398 680 3HG2 VAL 919 3HG2 VAL 919 -3.023 9.809 5.709 681 H ALA 920 H ALA 920 -2.145 11.373 4.990 682 HA ALA 920 HA ALA 920 0.653 11.644 4.373 683 1HB ALA 920 1HB ALA 920 0.401 12.952 6.184 684 2HB ALA 920 2HB ALA 920 -1.171 12.210 6.566 685 3HB ALA 920 3HB ALA 920 0.331 11.470 7.168 686 HA PRO 921 HA PRO 921 1.462 7.269 4.846 687 1HB PRO 921 1HB PRO 921 4.044 7.340 3.979 688 2HB PRO 921 2HB PRO 921 2.664 7.569 2.857 689 1HG PRO 921 1HG PRO 921 4.309 9.726 4.211 690 2HG PRO 921 2HG PRO 921 3.942 9.574 2.462 691 1HD PRO 921 1HD PRO 921 2.452 11.170 4.093 692 2HD PRO 921 2HD PRO 921 1.666 10.191 2.818 693 H CYS 922 H CYS 922 2.040 6.261 6.698 694 HA CYS 922 HA CYS 922 4.354 7.105 8.233 695 1HB CYS 922 1HB CYS 922 1.993 8.459 8.794 696 2HB CYS 922 2HB CYS 922 1.995 7.138 9.988 697 HG CYS 922 HG CYS 922 3.797 7.829 11.363 Start of MODEL 11 1 H GLY 835 H GLY 835 -12.900 -1.799 13.171 2 1HA GLY 835 1HA GLY 835 -12.904 -3.282 11.166 3 2HA GLY 835 2HA GLY 835 -14.543 -2.721 11.565 4 H SER 836 H SER 836 -11.799 -0.925 10.097 5 HA SER 836 HA SER 836 -13.478 0.291 8.128 6 1HB SER 836 1HB SER 836 -11.063 0.726 7.109 7 2HB SER 836 2HB SER 836 -11.593 1.552 8.594 8 HG SER 836 HG SER 836 -9.505 0.020 8.312 9 H ALA 837 H ALA 837 -10.648 -1.860 7.531 10 HA ALA 837 HA ALA 837 -11.021 -2.525 4.944 11 1HB ALA 837 1HB ALA 837 -10.618 -4.876 6.736 12 2HB ALA 837 2HB ALA 837 -9.648 -4.311 5.354 13 3HB ALA 837 3HB ALA 837 -9.487 -3.515 6.938 14 H ASP 838 H ASP 838 -12.519 -4.513 7.565 15 HA ASP 838 HA ASP 838 -14.146 -6.112 6.039 16 1HB ASP 838 1HB ASP 838 -15.324 -6.539 7.991 17 2HB ASP 838 2HB ASP 838 -13.822 -5.848 8.640 18 H GLU 839 H GLU 839 -14.643 -2.686 6.891 19 HA GLU 839 HA GLU 839 -17.251 -2.684 5.518 20 1HB GLU 839 1HB GLU 839 -15.787 -0.952 7.427 21 2HB GLU 839 2HB GLU 839 -16.739 -0.084 6.200 22 1HG GLU 839 1HG GLU 839 -18.263 -2.334 7.172 23 2HG GLU 839 2HG GLU 839 -17.682 -1.384 8.556 24 H THR 840 H THR 840 -13.884 -1.953 4.956 25 HA THR 840 HA THR 840 -14.565 -0.364 2.550 26 HB THR 840 HB THR 840 -11.954 -0.916 4.007 27 HG1 THR 840 1HG THR 840 -12.820 0.685 5.075 28 1HG2 THR 840 1HG2 THR 840 -12.364 0.998 1.690 29 2HG2 THR 840 2HG2 THR 840 -10.837 0.394 2.376 30 3HG2 THR 840 3HG2 THR 840 -11.876 -0.692 1.423 31 H LEU 841 H LEU 841 -12.070 -2.855 3.308 32 HA LEU 841 HA LEU 841 -11.826 -3.757 0.644 33 1HB LEU 841 1HB LEU 841 -10.200 -4.164 2.499 34 2HB LEU 841 2HB LEU 841 -11.351 -5.320 3.211 35 HG LEU 841 HG LEU 841 -9.404 -6.042 1.452 36 1HD1 LEU 841 1HD1 LEU 841 -10.369 -8.062 1.781 37 2HD1 LEU 841 2HD1 LEU 841 -11.645 -7.197 2.670 38 3HD1 LEU 841 3HD1 LEU 841 -11.858 -7.564 0.941 39 1HD2 LEU 841 1HD2 LEU 841 -10.960 -4.519 -0.178 40 2HD2 LEU 841 2HD2 LEU 841 -10.025 -5.921 -0.752 41 3HD2 LEU 841 3HD2 LEU 841 -11.757 -6.098 -0.381 42 H CYS 842 H CYS 842 -14.532 -3.873 2.542 43 HA CYS 842 HA CYS 842 -15.492 -6.519 2.254 44 1HB CYS 842 1HB CYS 842 -16.787 -5.272 3.703 45 2HB CYS 842 2HB CYS 842 -16.685 -3.802 2.701 46 HG CYS 842 HG CYS 842 -19.148 -4.535 2.714 47 H GLN 843 H GLN 843 -14.705 -4.220 -0.116 48 HA GLN 843 HA GLN 843 -16.633 -5.406 -2.048 49 1HB GLN 843 1HB GLN 843 -14.924 -3.005 -2.646 50 2HB GLN 843 2HB GLN 843 -16.552 -3.414 -3.236 51 1HG GLN 843 1HG GLN 843 -16.672 -3.200 -0.380 52 2HG GLN 843 2HG GLN 843 -15.821 -1.768 -0.998 53 1HE2 GLN 843 1HE2 GLN 843 -17.696 -0.513 -0.292 54 2HE2 GLN 843 2HE2 GLN 843 -19.129 -0.457 -1.296 55 H THR 844 H THR 844 -14.635 -7.124 -1.350 56 HA THR 844 HA THR 844 -12.729 -8.207 -2.082 57 HB THR 844 HB THR 844 -14.690 -7.895 -4.197 58 HG1 THR 844 1HG THR 844 -12.739 -9.864 -3.574 59 1HG2 THR 844 1HG2 THR 844 -12.967 -8.653 -5.997 60 2HG2 THR 844 2HG2 THR 844 -13.074 -6.917 -5.620 61 3HG2 THR 844 3HG2 THR 844 -11.752 -7.895 -4.940 62 H LYS 845 H LYS 845 -10.881 -7.114 -1.589 63 HA LYS 845 HA LYS 845 -9.230 -5.491 -1.755 64 1HB LYS 845 1HB LYS 845 -9.446 -6.857 -4.443 65 2HB LYS 845 2HB LYS 845 -8.197 -5.624 -4.143 66 1HG LYS 845 1HG LYS 845 -7.440 -7.987 -3.667 67 2HG LYS 845 2HG LYS 845 -7.312 -6.893 -2.269 68 1HD LYS 845 1HD LYS 845 -9.916 -8.309 -2.566 69 2HD LYS 845 2HD LYS 845 -8.519 -9.337 -2.166 70 1HE LYS 845 1HE LYS 845 -8.298 -6.995 -0.566 71 2HE LYS 845 2HE LYS 845 -9.991 -7.522 -0.462 72 1HZ LYS 845 1HZ LYS 845 -8.073 -8.515 1.015 73 2HZ LYS 845 2HZ LYS 845 -9.411 -9.377 0.583 74 3HZ LYS 845 3HZ LYS 845 -7.998 -9.579 -0.243 75 H VAL 846 H VAL 846 -12.184 -4.972 -3.225 76 HA VAL 846 HA VAL 846 -12.993 -3.232 -4.594 77 HB VAL 846 HB VAL 846 -13.551 -1.607 -3.089 78 1HG1 VAL 846 1HG1 VAL 846 -12.089 -2.855 -0.857 79 2HG1 VAL 846 2HG1 VAL 846 -13.842 -2.713 -1.130 80 3HG1 VAL 846 3HG1 VAL 846 -12.927 -4.038 -1.889 81 1HG2 VAL 846 1HG2 VAL 846 -10.634 -1.581 -2.202 82 2HG2 VAL 846 2HG2 VAL 846 -11.398 -0.429 -3.324 83 3HG2 VAL 846 3HG2 VAL 846 -11.899 -0.474 -1.617 84 H LEU 847 H LEU 847 -9.840 -2.139 -3.204 85 HA LEU 847 HA LEU 847 -7.980 -1.333 -4.315 86 1HB LEU 847 1HB LEU 847 -9.600 -1.449 -6.883 87 2HB LEU 847 2HB LEU 847 -7.830 -1.373 -6.711 88 HG LEU 847 HG LEU 847 -8.422 -3.673 -7.183 89 1HD1 LEU 847 1HD1 LEU 847 -8.087 -3.678 -4.180 90 2HD1 LEU 847 2HD1 LEU 847 -7.310 -4.714 -5.401 91 3HD1 LEU 847 3HD1 LEU 847 -6.800 -3.019 -5.218 92 1HD2 LEU 847 1HD2 LEU 847 -10.023 -4.911 -5.767 93 2HD2 LEU 847 2HD2 LEU 847 -10.322 -3.440 -4.809 94 3HD2 LEU 847 3HD2 LEU 847 -10.809 -3.502 -6.520 95 H LEU 848 H LEU 848 -9.212 0.277 -6.945 96 HA LEU 848 HA LEU 848 -10.299 2.368 -7.162 97 1HB LEU 848 1HB LEU 848 -10.182 2.104 -4.223 98 2HB LEU 848 2HB LEU 848 -9.976 3.771 -4.812 99 HG LEU 848 HG LEU 848 -12.195 1.942 -5.799 100 1HD1 LEU 848 1HD1 LEU 848 -12.713 2.129 -3.505 101 2HD1 LEU 848 2HD1 LEU 848 -12.044 3.775 -3.394 102 3HD1 LEU 848 3HD1 LEU 848 -13.591 3.498 -4.230 103 1HD2 LEU 848 1HD2 LEU 848 -12.048 3.701 -7.309 104 2HD2 LEU 848 2HD2 LEU 848 -13.140 4.416 -6.099 105 3HD2 LEU 848 3HD2 LEU 848 -11.409 4.831 -6.092 106 H ASP 849 H ASP 849 -9.414 4.655 -7.173 107 HA ASP 849 HA ASP 849 -6.575 4.514 -7.776 108 1HB ASP 849 1HB ASP 849 -6.926 6.943 -8.336 109 2HB ASP 849 2HB ASP 849 -8.005 5.828 -9.203 110 H ILE 850 H ILE 850 -6.551 3.794 -5.239 111 HA ILE 850 HA ILE 850 -6.378 6.104 -3.457 112 HB ILE 850 HB ILE 850 -5.252 3.521 -2.570 113 1HG1 ILE 850 1HG1 ILE 850 -7.293 3.213 -4.345 114 2HG1 ILE 850 2HG1 ILE 850 -7.046 2.144 -2.943 115 1HG2 ILE 850 1HG2 ILE 850 -7.454 5.405 -1.627 116 2HG2 ILE 850 2HG2 ILE 850 -6.920 3.961 -0.734 117 3HG2 ILE 850 3HG2 ILE 850 -5.789 5.308 -1.006 118 1HD1 ILE 850 1HD1 ILE 850 -9.305 2.769 -2.726 119 2HD1 ILE 850 2HD1 ILE 850 -8.475 3.919 -1.650 120 3HD1 ILE 850 3HD1 ILE 850 -8.996 4.434 -3.273 121 H PHE 851 H PHE 851 -3.973 3.545 -3.296 122 HA PHE 851 HA PHE 851 -1.807 5.304 -2.982 123 1HB PHE 851 1HB PHE 851 -1.564 2.549 -4.195 124 2HB PHE 851 2HB PHE 851 -0.445 3.383 -3.104 125 HD1 PHE 851 1HD PHE 851 -3.459 1.328 -3.358 126 HD2 PHE 851 2HD PHE 851 -0.963 3.587 -0.691 127 HE1 PHE 851 1HE PHE 851 -4.522 0.209 -1.416 128 HE2 PHE 851 2HE PHE 851 -2.025 2.468 1.251 129 HZ PHE 851 HZ PHE 851 -3.805 0.779 0.888 130 H THR 852 H THR 852 -3.564 5.847 -5.388 131 HA THR 852 HA THR 852 -2.681 5.328 -7.849 132 HB THR 852 HB THR 852 -4.100 7.372 -6.758 133 HG1 THR 852 1HG THR 852 -4.409 7.951 -8.860 134 1HG2 THR 852 1HG2 THR 852 -2.080 8.648 -6.162 135 2HG2 THR 852 2HG2 THR 852 -1.515 8.566 -7.848 136 3HG2 THR 852 3HG2 THR 852 -2.983 9.489 -7.445 137 H GLY 853 H GLY 853 -0.656 4.735 -8.430 138 1HA GLY 853 1HA GLY 853 1.536 5.075 -9.068 139 2HA GLY 853 2HA GLY 853 1.405 6.765 -8.529 140 H VAL 854 H VAL 854 0.568 6.244 -5.829 141 HA VAL 854 HA VAL 854 2.837 6.277 -4.373 142 HB VAL 854 HB VAL 854 0.133 5.065 -3.816 143 1HG1 VAL 854 1HG1 VAL 854 0.757 4.506 -1.572 144 2HG1 VAL 854 2HG1 VAL 854 1.983 3.751 -2.619 145 3HG1 VAL 854 3HG1 VAL 854 2.358 5.261 -1.754 146 1HG2 VAL 854 1HG2 VAL 854 1.514 7.608 -3.503 147 2HG2 VAL 854 2HG2 VAL 854 -0.213 7.232 -3.292 148 3HG2 VAL 854 3HG2 VAL 854 0.916 7.022 -1.933 149 H ARG 855 H ARG 855 4.631 5.067 -4.546 150 HA ARG 855 HA ARG 855 4.311 2.146 -4.983 151 1HB ARG 855 1HB ARG 855 6.416 2.175 -6.001 152 2HB ARG 855 2HB ARG 855 5.739 3.746 -6.491 153 1HG ARG 855 1HG ARG 855 6.861 4.672 -4.340 154 2HG ARG 855 2HG ARG 855 7.795 3.157 -4.342 155 1HD ARG 855 1HD ARG 855 8.884 5.127 -5.544 156 2HD ARG 855 2HD ARG 855 8.737 3.631 -6.491 157 HE ARG 855 HE ARG 855 6.757 4.647 -7.592 158 1HH1 ARG 855 2HH2 ARG 855 9.036 6.717 -5.854 159 2HH1 ARG 855 1HH2 ARG 855 8.622 8.160 -6.753 160 1HH2 ARG 855 2HH1 ARG 855 6.211 6.553 -8.779 161 2HH2 ARG 855 1HH1 ARG 855 7.011 8.066 -8.421 162 H LEU 856 H LEU 856 3.784 1.632 -2.794 163 HA LEU 856 HA LEU 856 5.919 2.199 -0.811 164 1HB LEU 856 1HB LEU 856 4.284 2.203 0.765 165 2HB LEU 856 2HB LEU 856 3.195 2.441 -0.622 166 HG LEU 856 HG LEU 856 2.754 0.067 -0.773 167 1HD1 LEU 856 1HD1 LEU 856 3.937 -1.190 1.372 168 2HD1 LEU 856 2HD1 LEU 856 4.563 -1.232 -0.293 169 3HD1 LEU 856 3HD1 LEU 856 5.216 -0.057 0.873 170 1HD2 LEU 856 1HD2 LEU 856 2.731 0.461 2.210 171 2HD2 LEU 856 2HD2 LEU 856 1.803 1.592 1.197 172 3HD2 LEU 856 3HD2 LEU 856 1.450 -0.151 1.137 173 H TYR 857 H TYR 857 7.097 0.575 0.140 174 HA TYR 857 HA TYR 857 7.130 -1.976 -1.253 175 1HB TYR 857 1HB TYR 857 9.268 -1.615 -0.669 176 2HB TYR 857 2HB TYR 857 8.818 -0.444 0.583 177 HD1 TYR 857 1HD TYR 857 8.138 -4.120 0.171 178 HD2 TYR 857 2HD TYR 857 9.855 -1.002 2.576 179 HE1 TYR 857 1HE TYR 857 8.697 -5.781 1.925 180 HE2 TYR 857 2HE TYR 857 10.414 -2.664 4.330 181 HH TYR 857 HH TYR 857 10.633 -5.814 3.962 182 H LEU 858 H LEU 858 5.235 -3.097 -0.832 183 HA LEU 858 HA LEU 858 4.213 -3.353 1.873 184 1HB LEU 858 1HB LEU 858 2.797 -3.379 -0.199 185 2HB LEU 858 2HB LEU 858 3.530 -4.944 -0.629 186 HG LEU 858 HG LEU 858 2.269 -6.067 0.887 187 1HD1 LEU 858 1HD1 LEU 858 3.594 -5.337 2.771 188 2HD1 LEU 858 2HD1 LEU 858 2.841 -3.724 2.746 189 3HD1 LEU 858 3HD1 LEU 858 1.883 -5.147 3.223 190 1HD2 LEU 858 1HD2 LEU 858 0.732 -3.546 1.503 191 2HD2 LEU 858 2HD2 LEU 858 0.746 -4.172 -0.163 192 3HD2 LEU 858 3HD2 LEU 858 0.126 -5.185 1.162 193 HA PRO 859 HA PRO 859 7.141 -6.621 2.782 194 1HB PRO 859 1HB PRO 859 6.600 -6.775 5.448 195 2HB PRO 859 2HB PRO 859 7.484 -5.383 4.741 196 1HG PRO 859 1HG PRO 859 4.518 -5.564 5.340 197 2HG PRO 859 2HG PRO 859 5.655 -4.276 5.855 198 1HD PRO 859 1HD PRO 859 4.110 -4.000 3.627 199 2HD PRO 859 2HD PRO 859 5.806 -3.429 3.631 200 HA PRO 860 HA PRO 860 4.349 -10.034 2.486 201 1HB PRO 860 1HB PRO 860 6.056 -12.082 3.048 202 2HB PRO 860 2HB PRO 860 6.230 -11.085 1.566 203 1HG PRO 860 1HG PRO 860 7.682 -10.728 4.204 204 2HG PRO 860 2HG PRO 860 8.410 -10.844 2.568 205 1HD PRO 860 1HD PRO 860 7.906 -8.431 3.732 206 2HD PRO 860 2HD PRO 860 7.605 -8.676 1.985 207 H SER 861 H SER 861 6.166 -9.203 5.375 208 HA SER 861 HA SER 861 4.885 -11.154 7.091 209 1HB SER 861 1HB SER 861 7.002 -9.215 7.246 210 2HB SER 861 2HB SER 861 5.856 -8.915 8.574 211 HG SER 861 HG SER 861 5.975 -11.287 8.876 212 H THR 862 H THR 862 4.004 -8.109 5.703 213 HA THR 862 HA THR 862 2.282 -7.132 7.751 214 HB THR 862 HB THR 862 3.080 -6.408 5.121 215 HG1 THR 862 1HG THR 862 2.829 -4.603 6.133 216 1HG2 THR 862 1HG2 THR 862 0.109 -6.885 5.463 217 2HG2 THR 862 2HG2 THR 862 0.705 -5.583 4.406 218 3HG2 THR 862 3HG2 THR 862 1.152 -7.274 4.074 219 HA PRO 863 HA PRO 863 -1.086 -9.953 7.510 220 1HB PRO 863 1HB PRO 863 -3.042 -8.451 8.668 221 2HB PRO 863 2HB PRO 863 -1.610 -9.012 9.591 222 1HG PRO 863 1HG PRO 863 -1.991 -6.323 8.244 223 2HG PRO 863 2HG PRO 863 -1.507 -6.629 9.944 224 1HD PRO 863 1HD PRO 863 0.345 -6.148 8.003 225 2HD PRO 863 2HD PRO 863 0.650 -7.383 9.262 226 H ASP 864 H ASP 864 -2.843 -10.411 6.164 227 HA ASP 864 HA ASP 864 -4.234 -10.194 4.359 228 1HB ASP 864 1HB ASP 864 -4.402 -7.689 5.786 229 2HB ASP 864 2HB ASP 864 -4.513 -7.386 4.038 230 H PHE 865 H PHE 865 -1.105 -9.453 4.415 231 HA PHE 865 HA PHE 865 -0.426 -7.815 2.313 232 1HB PHE 865 1HB PHE 865 1.164 -9.014 3.762 233 2HB PHE 865 2HB PHE 865 0.736 -10.542 2.973 234 HD1 PHE 865 1HD PHE 865 1.935 -11.271 1.108 235 HD2 PHE 865 2HD PHE 865 2.099 -7.129 2.233 236 HE1 PHE 865 1HE PHE 865 3.685 -10.876 -0.605 237 HE2 PHE 865 2HE PHE 865 3.849 -6.733 0.520 238 HZ PHE 865 HZ PHE 865 4.641 -8.607 -0.899 239 H SER 866 H SER 866 -1.244 -11.322 2.058 240 HA SER 866 HA SER 866 -1.002 -11.887 -0.542 241 1HB SER 866 1HB SER 866 -2.133 -13.333 1.130 242 2HB SER 866 2HB SER 866 -3.585 -12.310 1.012 243 HG SER 866 HG SER 866 -2.815 -12.962 -1.444 244 H ARG 867 H ARG 867 -3.352 -9.576 0.795 245 HA ARG 867 HA ARG 867 -4.386 -9.043 -1.927 246 1HB ARG 867 1HB ARG 867 -5.354 -7.577 0.499 247 2HB ARG 867 2HB ARG 867 -6.263 -8.191 -0.903 248 1HG ARG 867 1HG ARG 867 -5.087 -9.849 1.369 249 2HG ARG 867 2HG ARG 867 -6.813 -9.534 1.069 250 1HD ARG 867 1HD ARG 867 -5.862 -10.511 -1.376 251 2HD ARG 867 2HD ARG 867 -5.030 -11.508 -0.162 252 HE ARG 867 HE ARG 867 -7.587 -11.556 0.746 253 1HH1 ARG 867 2HH2 ARG 867 -6.166 -12.057 -2.452 254 2HH1 ARG 867 1HH2 ARG 867 -7.402 -13.180 -2.975 255 1HH2 ARG 867 2HH1 ARG 867 -9.219 -13.039 0.055 256 2HH2 ARG 867 1HH1 ARG 867 -9.142 -13.740 -1.546 257 H LEU 868 H LEU 868 -3.309 -7.116 0.936 258 HA LEU 868 HA LEU 868 -3.015 -4.644 -0.018 259 1HB LEU 868 1HB LEU 868 -0.883 -6.244 1.447 260 2HB LEU 868 2HB LEU 868 -0.857 -4.473 1.264 261 HG LEU 868 HG LEU 868 -3.268 -5.924 2.401 262 1HD1 LEU 868 1HD1 LEU 868 -1.061 -6.391 3.662 263 2HD1 LEU 868 2HD1 LEU 868 -1.063 -4.655 4.057 264 3HD1 LEU 868 3HD1 LEU 868 -2.400 -5.695 4.605 265 1HD2 LEU 868 1HD2 LEU 868 -2.271 -3.136 3.024 266 2HD2 LEU 868 2HD2 LEU 868 -3.205 -3.451 1.542 267 3HD2 LEU 868 3HD2 LEU 868 -3.924 -3.786 3.135 268 H ARG 869 H ARG 869 -0.695 -7.289 -0.785 269 HA ARG 869 HA ARG 869 0.928 -5.706 -2.516 270 1HB ARG 869 1HB ARG 869 0.988 -8.272 -1.436 271 2HB ARG 869 2HB ARG 869 0.777 -8.559 -3.180 272 1HG ARG 869 1HG ARG 869 2.646 -6.589 -3.260 273 2HG ARG 869 2HG ARG 869 3.071 -7.346 -1.706 274 1HD ARG 869 1HD ARG 869 2.717 -9.573 -3.201 275 2HD ARG 869 2HD ARG 869 3.219 -8.448 -4.480 276 HE ARG 869 HE ARG 869 5.094 -8.001 -2.556 277 1HH1 ARG 869 2HH2 ARG 869 3.796 -10.933 -4.045 278 2HH1 ARG 869 1HH2 ARG 869 5.280 -11.844 -3.867 279 1HH2 ARG 869 2HH1 ARG 869 7.053 -9.204 -2.322 280 2HH2 ARG 869 1HH1 ARG 869 7.136 -10.858 -2.885 281 H ARG 870 H ARG 870 -0.966 -8.533 -3.638 282 HA ARG 870 HA ARG 870 -1.179 -7.824 -6.285 283 1HB ARG 870 1HB ARG 870 -1.953 -9.961 -5.203 284 2HB ARG 870 2HB ARG 870 -3.405 -9.095 -4.648 285 1HG ARG 870 1HG ARG 870 -4.087 -10.091 -6.684 286 2HG ARG 870 2HG ARG 870 -3.696 -8.416 -7.142 287 1HD ARG 870 1HD ARG 870 -2.618 -9.750 -8.782 288 2HD ARG 870 2HD ARG 870 -1.325 -9.293 -7.652 289 HE ARG 870 HE ARG 870 -2.547 -11.971 -7.969 290 1HH1 ARG 870 2HH2 ARG 870 -0.290 -9.812 -6.311 291 2HH1 ARG 870 1HH2 ARG 870 0.644 -11.109 -5.602 292 1HH2 ARG 870 2HH1 ARG 870 -1.312 -13.685 -7.032 293 2HH2 ARG 870 1HH1 ARG 870 0.062 -13.318 -6.013 294 H TYR 871 H TYR 871 -3.091 -6.609 -3.538 295 HA TYR 871 HA TYR 871 -5.032 -5.227 -5.139 296 1HB TYR 871 1HB TYR 871 -5.086 -5.929 -2.643 297 2HB TYR 871 2HB TYR 871 -4.167 -4.443 -2.354 298 HD1 TYR 871 1HD TYR 871 -6.897 -5.035 -1.201 299 HD2 TYR 871 2HD TYR 871 -5.702 -3.067 -4.827 300 HE1 TYR 871 1HE TYR 871 -9.007 -3.731 -1.189 301 HE2 TYR 871 2HE TYR 871 -7.811 -1.763 -4.815 302 HH TYR 871 HH TYR 871 -10.216 -2.066 -2.190 303 H PHE 872 H PHE 872 -2.394 -3.879 -3.069 304 HA PHE 872 HA PHE 872 -2.413 -1.283 -3.922 305 1HB PHE 872 1HB PHE 872 -0.864 -2.522 -2.265 306 2HB PHE 872 2HB PHE 872 0.176 -2.820 -3.668 307 HD1 PHE 872 1HD PHE 872 -0.445 -0.643 -0.985 308 HD2 PHE 872 2HD PHE 872 0.670 -0.631 -5.133 309 HE1 PHE 872 1HE PHE 872 0.569 1.603 -0.706 310 HE2 PHE 872 2HE PHE 872 1.684 1.615 -4.854 311 HZ PHE 872 HZ PHE 872 1.634 2.732 -2.640 312 H VAL 873 H VAL 873 0.293 -3.172 -5.235 313 HA VAL 873 HA VAL 873 0.844 -1.810 -7.474 314 HB VAL 873 HB VAL 873 2.185 -3.654 -7.356 315 1HG1 VAL 873 1HG1 VAL 873 1.299 -5.935 -6.744 316 2HG1 VAL 873 2HG1 VAL 873 0.994 -4.693 -5.507 317 3HG1 VAL 873 3HG1 VAL 873 -0.319 -5.211 -6.590 318 1HG2 VAL 873 1HG2 VAL 873 0.155 -5.185 -8.956 319 2HG2 VAL 873 2HG2 VAL 873 0.726 -3.627 -9.601 320 3HG2 VAL 873 3HG2 VAL 873 1.889 -4.932 -9.265 321 H ALA 874 H ALA 874 -2.019 -3.863 -7.010 322 HA ALA 874 HA ALA 874 -2.901 -3.933 -9.700 323 1HB ALA 874 1HB ALA 874 -5.217 -3.938 -8.232 324 2HB ALA 874 2HB ALA 874 -4.186 -5.365 -8.494 325 3HB ALA 874 3HB ALA 874 -4.023 -4.411 -7.000 326 H PHE 875 H PHE 875 -4.265 -1.892 -7.050 327 HA PHE 875 HA PHE 875 -5.885 -0.193 -8.244 328 1HB PHE 875 1HB PHE 875 -3.494 0.751 -6.628 329 2HB PHE 875 2HB PHE 875 -4.998 1.652 -6.881 330 HD1 PHE 875 1HD PHE 875 -3.428 -1.207 -5.159 331 HD2 PHE 875 2HD PHE 875 -7.040 1.050 -5.713 332 HE1 PHE 875 1HE PHE 875 -4.417 -2.300 -3.163 333 HE2 PHE 875 2HE PHE 875 -8.029 -0.041 -3.717 334 HZ PHE 875 HZ PHE 875 -6.717 -1.716 -2.443 335 H ASP 876 H ASP 876 -2.312 0.113 -8.611 336 HA ASP 876 HA ASP 876 -1.931 0.511 -11.189 337 1HB ASP 876 1HB ASP 876 -3.706 2.681 -10.223 338 2HB ASP 876 2HB ASP 876 -2.333 3.215 -11.216 339 H GLY 877 H GLY 877 -0.998 0.721 -8.152 340 1HA GLY 877 1HA GLY 877 1.085 2.788 -8.461 341 2HA GLY 877 2HA GLY 877 0.715 1.850 -6.996 342 H ASP 878 H ASP 878 2.677 0.937 -6.519 343 HA ASP 878 HA ASP 878 3.559 -1.255 -8.192 344 1HB ASP 878 1HB ASP 878 4.963 1.381 -8.236 345 2HB ASP 878 2HB ASP 878 5.976 -0.074 -8.119 346 H LEU 879 H LEU 879 5.095 -2.601 -7.099 347 HA LEU 879 HA LEU 879 5.590 -1.831 -4.266 348 1HB LEU 879 1HB LEU 879 4.776 -4.599 -5.222 349 2HB LEU 879 2HB LEU 879 4.979 -4.047 -3.542 350 HG LEU 879 HG LEU 879 2.812 -3.331 -5.531 351 1HD1 LEU 879 1HD1 LEU 879 1.673 -3.594 -3.066 352 2HD1 LEU 879 2HD1 LEU 879 1.908 -4.952 -4.192 353 3HD1 LEU 879 3HD1 LEU 879 3.081 -4.669 -2.884 354 1HD2 LEU 879 1HD2 LEU 879 2.395 -1.771 -3.239 355 2HD2 LEU 879 2HD2 LEU 879 4.126 -1.564 -3.599 356 3HD2 LEU 879 3HD2 LEU 879 2.907 -1.180 -4.838 357 H VAL 880 H VAL 880 7.689 -1.958 -3.740 358 HA VAL 880 HA VAL 880 9.453 -3.558 -5.527 359 HB VAL 880 HB VAL 880 10.793 -1.704 -3.716 360 1HG1 VAL 880 1HG1 VAL 880 12.001 -1.189 -5.663 361 2HG1 VAL 880 2HG1 VAL 880 11.469 -2.858 -5.978 362 3HG1 VAL 880 3HG1 VAL 880 10.607 -1.493 -6.726 363 1HG2 VAL 880 1HG2 VAL 880 9.094 -0.144 -3.745 364 2HG2 VAL 880 2HG2 VAL 880 9.843 0.248 -5.312 365 3HG2 VAL 880 3HG2 VAL 880 8.391 -0.781 -5.251 366 H GLN 881 H GLN 881 10.829 -5.086 -4.666 367 HA GLN 881 HA GLN 881 10.087 -6.250 -2.164 368 1HB GLN 881 1HB GLN 881 12.654 -6.700 -3.726 369 2HB GLN 881 2HB GLN 881 11.834 -7.832 -2.623 370 1HG GLN 881 1HG GLN 881 10.440 -8.539 -4.250 371 2HG GLN 881 2HG GLN 881 10.035 -6.873 -4.717 372 1HE2 GLN 881 1HE2 GLN 881 10.586 -6.310 -6.741 373 2HE2 GLN 881 2HE2 GLN 881 11.899 -7.001 -7.671 374 H GLU 882 H GLU 882 10.830 -5.923 -0.133 375 HA GLU 882 HA GLU 882 11.936 -3.765 0.906 376 1HB GLU 882 1HB GLU 882 11.433 -5.865 2.159 377 2HB GLU 882 2HB GLU 882 12.982 -6.538 1.599 378 1HG GLU 882 1HG GLU 882 13.985 -4.309 2.575 379 2HG GLU 882 2HG GLU 882 12.469 -4.249 3.500 380 H PHE 883 H PHE 883 14.222 -6.424 0.053 381 HA PHE 883 HA PHE 883 16.473 -4.655 0.010 382 1HB PHE 883 1HB PHE 883 17.691 -6.570 -0.779 383 2HB PHE 883 2HB PHE 883 16.536 -7.113 0.450 384 HD1 PHE 883 1HD PHE 883 14.609 -8.485 -0.149 385 HD2 PHE 883 2HD PHE 883 17.424 -7.184 -3.121 386 HE1 PHE 883 1HE PHE 883 13.693 -10.149 -1.744 387 HE2 PHE 883 2HE PHE 883 16.509 -8.848 -4.716 388 HZ PHE 883 HZ PHE 883 14.643 -10.331 -4.027 389 H ASP 884 H ASP 884 13.982 -4.210 -1.826 390 HA ASP 884 HA ASP 884 15.601 -3.410 -4.157 391 1HB ASP 884 1HB ASP 884 13.135 -5.182 -4.307 392 2HB ASP 884 2HB ASP 884 13.877 -4.365 -5.700 393 H MET 885 H MET 885 15.275 -1.264 -3.448 394 HA MET 885 HA MET 885 12.580 -0.240 -4.080 395 1HB MET 885 1HB MET 885 13.133 1.286 -1.906 396 2HB MET 885 2HB MET 885 12.148 -0.195 -1.837 397 1HG MET 885 1HG MET 885 14.353 -1.452 -1.474 398 2HG MET 885 2HG MET 885 15.093 0.133 -1.197 399 1HE MET 885 1HE MET 885 12.527 -2.354 -0.430 400 2HE MET 885 2HE MET 885 12.444 -2.439 1.346 401 3HE MET 885 3HE MET 885 11.393 -1.308 0.459 402 H THR 886 H THR 886 16.037 0.262 -3.422 403 HA THR 886 HA THR 886 16.891 2.630 -3.654 404 HB THR 886 HB THR 886 18.428 2.128 -5.377 405 HG1 THR 886 1HG THR 886 16.605 0.225 -6.415 406 1HG2 THR 886 1HG2 THR 886 18.343 0.472 -3.460 407 2HG2 THR 886 2HG2 THR 886 17.375 -0.594 -4.507 408 3HG2 THR 886 3HG2 THR 886 19.045 -0.177 -4.961 409 H SER 887 H SER 887 14.980 1.403 -6.460 410 HA SER 887 HA SER 887 14.553 4.199 -7.317 411 1HB SER 887 1HB SER 887 14.580 1.533 -8.580 412 2HB SER 887 2HB SER 887 13.232 2.567 -9.111 413 HG SER 887 HG SER 887 15.087 4.220 -9.180 414 H ALA 888 H ALA 888 13.074 1.739 -5.448 415 HA ALA 888 HA ALA 888 10.375 1.881 -5.981 416 1HB ALA 888 1HB ALA 888 11.077 0.434 -4.253 417 2HB ALA 888 2HB ALA 888 11.928 1.736 -3.387 418 3HB ALA 888 3HB ALA 888 10.149 1.696 -3.407 419 H THR 889 H THR 889 8.784 3.044 -4.265 420 HA THR 889 HA THR 889 9.559 5.916 -4.164 421 HB THR 889 HB THR 889 7.843 4.928 -6.041 422 HG1 THR 889 1HG THR 889 7.557 7.390 -4.654 423 1HG2 THR 889 1HG2 THR 889 5.966 6.051 -3.968 424 2HG2 THR 889 2HG2 THR 889 5.616 4.994 -5.356 425 3HG2 THR 889 3HG2 THR 889 6.391 4.324 -3.901 426 H HIS 890 H HIS 890 7.396 3.295 -3.019 427 HA HIS 890 HA HIS 890 7.204 4.770 -0.434 428 1HB HIS 890 1HB HIS 890 5.125 3.248 -2.014 429 2HB HIS 890 2HB HIS 890 4.970 3.474 -0.262 430 HD1 HIS 890 1HD HIS 890 6.237 6.211 -2.677 431 HD2 HIS 890 2HD HIS 890 2.958 5.183 -0.246 432 HE1 HIS 890 1HE HIS 890 4.699 8.254 -2.613 433 H VAL 891 H VAL 891 6.854 3.333 1.454 434 HA VAL 891 HA VAL 891 7.611 0.520 1.079 435 HB VAL 891 HB VAL 891 9.446 0.850 2.852 436 1HG1 VAL 891 1HG1 VAL 891 10.825 0.609 1.082 437 2HG1 VAL 891 2HG1 VAL 891 9.440 0.984 0.030 438 3HG1 VAL 891 3HG1 VAL 891 10.531 2.286 0.562 439 1HG2 VAL 891 1HG2 VAL 891 10.466 3.112 2.872 440 2HG2 VAL 891 2HG2 VAL 891 9.141 3.713 1.847 441 3HG2 VAL 891 3HG2 VAL 891 8.800 3.146 3.500 442 H LEU 892 H LEU 892 6.324 -0.638 2.378 443 HA LEU 892 HA LEU 892 4.755 0.679 4.430 444 1HB LEU 892 1HB LEU 892 4.513 -1.602 2.833 445 2HB LEU 892 2HB LEU 892 4.755 -2.246 4.474 446 HG LEU 892 HG LEU 892 2.953 0.053 4.492 447 1HD1 LEU 892 1HD1 LEU 892 1.857 -0.382 2.547 448 2HD1 LEU 892 2HD1 LEU 892 2.610 -1.986 2.378 449 3HD1 LEU 892 3HD1 LEU 892 1.182 -1.779 3.419 450 1HD2 LEU 892 1HD2 LEU 892 2.827 -2.874 5.308 451 2HD2 LEU 892 2HD2 LEU 892 3.051 -1.452 6.356 452 3HD2 LEU 892 3HD2 LEU 892 1.479 -1.742 5.573 453 H GLY 893 H GLY 893 5.430 1.076 6.449 454 1HA GLY 893 1HA GLY 893 6.602 0.910 8.416 455 2HA GLY 893 2HA GLY 893 6.579 -0.849 8.152 456 H SER 894 H SER 894 8.575 1.805 8.554 457 HA SER 894 HA SER 894 10.873 1.938 8.505 458 1HB SER 894 1HB SER 894 10.462 -0.884 7.544 459 2HB SER 894 2HB SER 894 12.062 -0.128 7.353 460 HG SER 894 HG SER 894 10.769 -0.979 9.615 461 H ARG 895 H ARG 895 12.703 2.088 6.818 462 HA ARG 895 HA ARG 895 11.689 2.383 4.063 463 1HB ARG 895 1HB ARG 895 12.662 4.699 3.960 464 2HB ARG 895 2HB ARG 895 11.232 4.566 5.011 465 1HG ARG 895 1HG ARG 895 12.540 4.629 6.990 466 2HG ARG 895 2HG ARG 895 14.042 4.259 6.111 467 1HD ARG 895 1HD ARG 895 13.038 6.586 4.888 468 2HD ARG 895 2HD ARG 895 12.781 6.840 6.628 469 HE ARG 895 HE ARG 895 15.398 5.830 6.284 470 1HH1 ARG 895 2HH2 ARG 895 13.470 8.681 5.475 471 2HH1 ARG 895 1HH2 ARG 895 14.834 9.777 5.488 472 1HH2 ARG 895 2HH1 ARG 895 17.200 7.277 6.300 473 2HH2 ARG 895 1HH1 ARG 895 16.961 8.976 5.958 474 H ASP 896 H ASP 896 14.318 2.318 6.442 475 HA ASP 896 HA ASP 896 16.662 2.599 5.450 476 1HB ASP 896 1HB ASP 896 16.613 1.115 7.254 477 2HB ASP 896 2HB ASP 896 15.512 -0.011 6.429 478 H LYS 897 H LYS 897 15.251 -0.510 4.319 479 HA LYS 897 HA LYS 897 16.777 -1.071 2.191 480 1HB LYS 897 1HB LYS 897 14.142 -1.337 1.168 481 2HB LYS 897 2HB LYS 897 15.128 -2.578 1.979 482 1HG LYS 897 1HG LYS 897 13.196 -2.476 3.325 483 2HG LYS 897 2HG LYS 897 14.339 -1.419 4.188 484 1HD LYS 897 1HD LYS 897 13.330 0.504 2.773 485 2HD LYS 897 2HD LYS 897 12.012 -0.634 2.408 486 1HE LYS 897 1HE LYS 897 12.177 -0.964 5.097 487 2HE LYS 897 2HE LYS 897 12.714 0.725 4.969 488 1HZ LYS 897 1HZ LYS 897 10.322 -0.162 3.568 489 2HZ LYS 897 2HZ LYS 897 10.248 0.202 5.175 490 3HZ LYS 897 3HZ LYS 897 10.728 1.348 4.091 491 H ASN 898 H ASN 898 14.467 1.618 2.364 492 HA ASN 898 HA ASN 898 15.795 2.916 0.129 493 1HB ASN 898 1HB ASN 898 13.604 1.227 -0.443 494 2HB ASN 898 2HB ASN 898 12.964 2.883 -0.498 495 1HD2 ASN 898 1HD2 ASN 898 12.767 3.196 -2.691 496 2HD2 ASN 898 2HD2 ASN 898 14.111 3.134 -3.811 497 HA PRO 899 HA PRO 899 14.245 5.840 3.236 498 1HB PRO 899 1HB PRO 899 16.268 7.643 2.955 499 2HB PRO 899 2HB PRO 899 16.499 6.092 3.825 500 1HG PRO 899 1HG PRO 899 17.158 6.690 0.926 501 2HG PRO 899 2HG PRO 899 18.243 5.976 2.164 502 1HD PRO 899 1HD PRO 899 16.852 4.410 0.421 503 2HD PRO 899 2HD PRO 899 17.036 3.920 2.132 504 H ALA 900 H ALA 900 14.786 5.888 -0.170 505 HA ALA 900 HA ALA 900 13.775 8.620 -0.529 506 1HB ALA 900 1HB ALA 900 15.485 7.945 -2.058 507 2HB ALA 900 2HB ALA 900 14.661 6.406 -2.408 508 3HB ALA 900 3HB ALA 900 13.963 7.940 -2.982 509 H ALA 901 H ALA 901 12.420 5.693 0.260 510 HA ALA 901 HA ALA 901 10.059 5.980 -1.486 511 1HB ALA 901 1HB ALA 901 9.382 3.844 -0.538 512 2HB ALA 901 2HB ALA 901 11.088 3.741 -1.036 513 3HB ALA 901 3HB ALA 901 10.674 3.937 0.684 514 H GLN 902 H GLN 902 8.239 4.863 0.514 515 HA GLN 902 HA GLN 902 8.002 7.206 2.342 516 1HB GLN 902 1HB GLN 902 6.078 6.019 0.390 517 2HB GLN 902 2HB GLN 902 5.422 6.515 1.969 518 1HG GLN 902 1HG GLN 902 6.953 8.223 -0.028 519 2HG GLN 902 2HG GLN 902 5.266 8.418 0.496 520 1HE2 GLN 902 1HE2 GLN 902 5.982 7.729 3.333 521 2HE2 GLN 902 2HE2 GLN 902 6.742 9.168 3.978 522 H GLN 903 H GLN 903 7.686 6.719 4.450 523 HA GLN 903 HA GLN 903 7.612 3.874 5.175 524 1HB GLN 903 1HB GLN 903 8.096 6.479 6.628 525 2HB GLN 903 2HB GLN 903 7.766 4.982 7.532 526 1HG GLN 903 1HG GLN 903 9.872 4.269 7.194 527 2HG GLN 903 2HG GLN 903 9.675 4.434 5.436 528 1HE2 GLN 903 1HE2 GLN 903 10.218 6.456 4.410 529 2HE2 GLN 903 2HE2 GLN 903 11.312 7.582 5.184 530 H VAL 904 H VAL 904 5.325 3.985 4.050 531 HA VAL 904 HA VAL 904 3.230 5.113 5.742 532 HB VAL 904 HB VAL 904 1.962 4.873 3.890 533 1HG1 VAL 904 1HG1 VAL 904 3.170 4.989 1.909 534 2HG1 VAL 904 2HG1 VAL 904 4.473 5.275 3.087 535 3HG1 VAL 904 3HG1 VAL 904 4.259 3.660 2.372 536 1HG2 VAL 904 1HG2 VAL 904 1.846 2.685 2.637 537 2HG2 VAL 904 2HG2 VAL 904 3.088 2.045 3.739 538 3HG2 VAL 904 3HG2 VAL 904 1.500 2.536 4.376 539 H SER 905 H SER 905 1.339 3.598 6.329 540 HA SER 905 HA SER 905 2.434 1.017 7.342 541 1HB SER 905 1HB SER 905 1.708 1.453 9.461 542 2HB SER 905 2HB SER 905 1.894 3.146 8.943 543 HG SER 905 HG SER 905 -0.199 2.507 9.879 544 HA PRO 906 HA PRO 906 -1.291 -0.957 6.048 545 1HB PRO 906 1HB PRO 906 -2.527 -2.051 8.216 546 2HB PRO 906 2HB PRO 906 -0.890 -2.570 7.699 547 1HG PRO 906 1HG PRO 906 -1.581 -0.523 9.825 548 2HG PRO 906 2HG PRO 906 -0.492 -1.939 9.991 549 1HD PRO 906 1HD PRO 906 0.479 0.544 9.422 550 2HD PRO 906 2HD PRO 906 1.167 -0.904 8.626 551 H GLU 907 H GLU 907 -1.705 1.436 8.624 552 HA GLU 907 HA GLU 907 -4.564 1.707 8.274 553 1HB GLU 907 1HB GLU 907 -2.394 2.963 9.859 554 2HB GLU 907 2HB GLU 907 -3.751 4.038 9.446 555 1HG GLU 907 1HG GLU 907 -4.988 3.070 11.054 556 2HG GLU 907 2HG GLU 907 -4.865 1.520 10.194 557 H TRP 908 H TRP 908 -1.700 2.929 6.682 558 HA TRP 908 HA TRP 908 -2.856 5.304 5.577 559 1HB TRP 908 1HB TRP 908 -0.444 4.899 5.720 560 2HB TRP 908 2HB TRP 908 -0.594 3.527 4.613 561 HD1 TRP 908 HD TRP 908 -1.014 7.356 4.640 562 HE1 TRP 908 1HE TRP 908 -0.550 8.279 2.312 563 HE3 TRP 908 3HE TRP 908 -0.391 2.939 2.130 564 HZ2 TRP 908 2HZ TRP 908 0.022 7.237 -0.326 565 HZ3 TRP 908 3HZ TRP 908 0.111 2.945 -0.286 566 HH2 TRP 908 HH TRP 908 0.320 5.079 -1.526 567 H ILE 909 H ILE 909 -2.282 2.025 4.182 568 HA ILE 909 HA ILE 909 -3.395 2.361 1.687 569 HB ILE 909 HB ILE 909 -3.230 0.086 3.631 570 1HG1 ILE 909 1HG1 ILE 909 -2.464 -0.445 0.895 571 2HG1 ILE 909 2HG1 ILE 909 -1.783 1.120 1.402 572 1HG2 ILE 909 1HG2 ILE 909 -5.330 -0.537 2.830 573 2HG2 ILE 909 2HG2 ILE 909 -5.088 0.275 1.265 574 3HG2 ILE 909 3HG2 ILE 909 -4.270 -1.269 1.602 575 1HD1 ILE 909 1HD1 ILE 909 -0.866 0.048 3.445 576 2HD1 ILE 909 2HD1 ILE 909 -1.530 -1.516 2.914 577 3HD1 ILE 909 3HD1 ILE 909 -0.244 -0.727 1.969 578 H TRP 910 H TRP 910 -5.188 1.408 4.677 579 HA TRP 910 HA TRP 910 -7.750 1.352 3.558 580 1HB TRP 910 1HB TRP 910 -7.039 2.368 6.321 581 2HB TRP 910 2HB TRP 910 -8.556 1.616 5.809 582 HD1 TRP 910 HD TRP 910 -5.920 0.777 7.914 583 HE1 TRP 910 1HE TRP 910 -5.364 -1.707 8.007 584 HE3 TRP 910 3HE TRP 910 -8.267 -0.737 3.625 585 HZ2 TRP 910 2HZ TRP 910 -5.870 -4.072 6.418 586 HZ3 TRP 910 3HZ TRP 910 -8.208 -3.109 2.949 587 HH2 TRP 910 HH TRP 910 -7.017 -4.785 4.330 588 H ALA 911 H ALA 911 -6.494 4.070 5.570 589 HA ALA 911 HA ALA 911 -8.406 5.950 5.009 590 1HB ALA 911 1HB ALA 911 -6.189 7.520 5.007 591 2HB ALA 911 2HB ALA 911 -6.881 6.800 6.480 592 3HB ALA 911 3HB ALA 911 -5.504 6.016 5.669 593 H CYS 912 H CYS 912 -5.575 5.094 2.981 594 HA CYS 912 HA CYS 912 -6.060 7.081 0.983 595 1HB CYS 912 1HB CYS 912 -4.671 4.390 0.680 596 2HB CYS 912 2HB CYS 912 -4.434 5.847 -0.317 597 HG CYS 912 HG CYS 912 -4.281 6.608 2.723 598 H ILE 913 H ILE 913 -6.637 3.511 0.944 599 HA ILE 913 HA ILE 913 -7.916 3.145 -1.401 600 HB ILE 913 HB ILE 913 -9.051 2.151 1.239 601 1HG1 ILE 913 1HG1 ILE 913 -6.726 1.099 -0.432 602 2HG1 ILE 913 2HG1 ILE 913 -6.598 1.855 1.175 603 1HG2 ILE 913 1HG2 ILE 913 -10.444 1.072 -0.180 604 2HG2 ILE 913 2HG2 ILE 913 -9.508 1.594 -1.602 605 3HG2 ILE 913 3HG2 ILE 913 -9.025 0.134 -0.706 606 1HD1 ILE 913 1HD1 ILE 913 -7.064 -0.888 0.577 607 2HD1 ILE 913 2HD1 ILE 913 -7.067 -0.108 2.177 608 3HD1 ILE 913 3HD1 ILE 913 -8.582 -0.250 1.253 609 H ARG 914 H ARG 914 -9.664 4.237 1.568 610 HA ARG 914 HA ARG 914 -12.081 4.831 0.169 611 1HB ARG 914 1HB ARG 914 -11.391 4.561 2.775 612 2HB ARG 914 2HB ARG 914 -11.415 6.337 2.653 613 1HG ARG 914 1HG ARG 914 -13.670 4.487 1.766 614 2HG ARG 914 2HG ARG 914 -13.642 5.411 3.287 615 1HD ARG 914 1HD ARG 914 -13.061 7.369 1.448 616 2HD ARG 914 2HD ARG 914 -14.152 6.324 0.512 617 HE ARG 914 HE ARG 914 -15.917 6.980 1.861 618 1HH1 ARG 914 2HH2 ARG 914 -12.832 7.863 3.344 619 2HH1 ARG 914 1HH2 ARG 914 -13.561 8.813 4.620 620 1HH2 ARG 914 2HH1 ARG 914 -16.880 8.235 3.546 621 2HH2 ARG 914 1HH1 ARG 914 -15.869 9.024 4.735 622 H LYS 915 H LYS 915 -9.617 7.056 1.600 623 HA LYS 915 HA LYS 915 -10.547 9.459 0.671 624 1HB LYS 915 1HB LYS 915 -7.694 8.419 0.806 625 2HB LYS 915 2HB LYS 915 -8.109 10.127 0.525 626 1HG LYS 915 1HG LYS 915 -9.292 8.620 2.868 627 2HG LYS 915 2HG LYS 915 -7.664 9.333 2.978 628 1HD LYS 915 1HD LYS 915 -8.515 11.542 2.515 629 2HD LYS 915 2HD LYS 915 -10.119 10.898 2.092 630 1HE LYS 915 1HE LYS 915 -10.459 11.620 4.288 631 2HE LYS 915 2HE LYS 915 -10.064 9.903 4.522 632 1HZ LYS 915 1HZ LYS 915 -7.786 10.588 4.920 633 2HZ LYS 915 2HZ LYS 915 -8.226 12.173 4.804 634 3HZ LYS 915 3HZ LYS 915 -8.831 11.235 6.019 635 H ARG 916 H ARG 916 -9.344 6.787 -1.222 636 HA ARG 916 HA ARG 916 -9.260 6.468 -3.488 637 1HB ARG 916 1HB ARG 916 -10.983 8.908 -3.236 638 2HB ARG 916 2HB ARG 916 -10.341 8.502 -4.846 639 1HG ARG 916 1HG ARG 916 -11.413 6.190 -3.334 640 2HG ARG 916 2HG ARG 916 -12.628 7.420 -3.758 641 1HD ARG 916 1HD ARG 916 -10.768 5.905 -5.622 642 2HD ARG 916 2HD ARG 916 -12.544 5.889 -5.601 643 HE ARG 916 HE ARG 916 -10.809 7.881 -6.835 644 1HH1 ARG 916 2HH2 ARG 916 -13.994 7.198 -5.460 645 2HH1 ARG 916 1HH2 ARG 916 -14.802 8.468 -6.351 646 1HH2 ARG 916 2HH1 ARG 916 -11.877 9.559 -8.012 647 2HH2 ARG 916 1HH1 ARG 916 -13.595 9.814 -7.806 648 H ARG 917 H ARG 917 -7.724 8.936 -1.814 649 HA ARG 917 HA ARG 917 -5.802 9.284 -4.043 650 1HB ARG 917 1HB ARG 917 -5.762 11.750 -2.814 651 2HB ARG 917 2HB ARG 917 -6.611 11.380 -4.334 652 1HG ARG 917 1HG ARG 917 -8.021 10.755 -1.760 653 2HG ARG 917 2HG ARG 917 -7.884 12.465 -2.234 654 1HD ARG 917 1HD ARG 917 -8.752 11.761 -4.532 655 2HD ARG 917 2HD ARG 917 -9.136 10.186 -3.807 656 HE ARG 917 HE ARG 917 -10.227 12.367 -2.261 657 1HH1 ARG 917 2HH2 ARG 917 -10.675 10.401 -5.165 658 2HH1 ARG 917 1HH2 ARG 917 -12.410 10.623 -5.213 659 1HH2 ARG 917 2HH1 ARG 917 -12.519 12.660 -2.325 660 2HH2 ARG 917 1HH1 ARG 917 -13.461 11.911 -3.594 661 H LEU 918 H LEU 918 -3.860 8.646 -3.337 662 HA LEU 918 HA LEU 918 -3.080 7.703 -0.964 663 1HB LEU 918 1HB LEU 918 -1.549 9.556 -2.816 664 2HB LEU 918 2HB LEU 918 -0.786 8.744 -1.428 665 HG LEU 918 HG LEU 918 -0.404 7.235 -3.197 666 1HD1 LEU 918 1HD1 LEU 918 -3.052 6.057 -2.487 667 2HD1 LEU 918 2HD1 LEU 918 -1.424 5.344 -2.394 668 3HD1 LEU 918 3HD1 LEU 918 -1.981 6.460 -1.123 669 1HD2 LEU 918 1HD2 LEU 918 -3.293 7.427 -4.098 670 2HD2 LEU 918 2HD2 LEU 918 -2.058 8.560 -4.696 671 3HD2 LEU 918 3HD2 LEU 918 -1.886 6.814 -4.999 672 H VAL 919 H VAL 919 -2.938 8.323 1.115 673 HA VAL 919 HA VAL 919 -3.292 11.215 1.693 674 HB VAL 919 HB VAL 919 -4.431 10.595 3.598 675 1HG1 VAL 919 1HG1 VAL 919 -5.662 8.377 3.111 676 2HG1 VAL 919 2HG1 VAL 919 -5.779 9.654 1.876 677 3HG1 VAL 919 3HG1 VAL 919 -4.664 8.287 1.639 678 1HG2 VAL 919 1HG2 VAL 919 -2.349 9.284 4.382 679 2HG2 VAL 919 2HG2 VAL 919 -3.930 8.709 4.965 680 3HG2 VAL 919 3HG2 VAL 919 -3.110 7.861 3.632 681 H ALA 920 H ALA 920 -2.342 11.312 4.281 682 HA ALA 920 HA ALA 920 0.467 11.584 3.849 683 1HB ALA 920 1HB ALA 920 -1.501 12.124 5.944 684 2HB ALA 920 2HB ALA 920 0.043 11.543 6.613 685 3HB ALA 920 3HB ALA 920 0.013 12.977 5.560 686 HA PRO 921 HA PRO 921 1.375 7.256 4.555 687 1HB PRO 921 1HB PRO 921 3.989 7.367 3.794 688 2HB PRO 921 2HB PRO 921 2.652 7.499 2.605 689 1HG PRO 921 1HG PRO 921 4.173 9.768 3.921 690 2HG PRO 921 2HG PRO 921 3.888 9.522 2.167 691 1HD PRO 921 1HD PRO 921 2.282 11.147 3.654 692 2HD PRO 921 2HD PRO 921 1.581 10.084 2.396 693 H CYS 922 H CYS 922 1.812 6.415 6.517 694 HA CYS 922 HA CYS 922 4.076 7.330 8.086 695 1HB CYS 922 1HB CYS 922 2.635 7.923 10.076 696 2HB CYS 922 2HB CYS 922 2.534 9.083 8.728 697 HG CYS 922 HG CYS 922 0.424 7.040 10.042 Start of MODEL 12 1 H GLY 835 H GLY 835 -10.500 -1.777 13.011 2 1HA GLY 835 1HA GLY 835 -9.509 -3.998 11.998 3 2HA GLY 835 2HA GLY 835 -11.100 -4.626 12.486 4 H SER 836 H SER 836 -9.399 -2.294 10.402 5 HA SER 836 HA SER 836 -11.839 -1.478 9.039 6 1HB SER 836 1HB SER 836 -10.187 -0.331 7.516 7 2HB SER 836 2HB SER 836 -10.034 0.115 9.232 8 HG SER 836 HG SER 836 -8.562 -2.072 8.669 9 H ALA 837 H ALA 837 -9.274 -2.019 6.857 10 HA ALA 837 HA ALA 837 -9.557 -3.189 4.828 11 1HB ALA 837 1HB ALA 837 -8.444 -5.233 5.114 12 2HB ALA 837 2HB ALA 837 -7.950 -4.312 6.555 13 3HB ALA 837 3HB ALA 837 -9.223 -5.549 6.683 14 H ASP 838 H ASP 838 -10.918 -5.626 7.080 15 HA ASP 838 HA ASP 838 -12.734 -6.809 5.450 16 1HB ASP 838 1HB ASP 838 -12.258 -6.728 8.185 17 2HB ASP 838 2HB ASP 838 -13.940 -6.173 8.051 18 H GLU 839 H GLU 839 -13.165 -3.665 7.115 19 HA GLU 839 HA GLU 839 -15.865 -3.310 6.154 20 1HB GLU 839 1HB GLU 839 -13.983 -1.970 7.898 21 2HB GLU 839 2HB GLU 839 -14.704 -0.800 6.768 22 1HG GLU 839 1HG GLU 839 -16.686 -2.699 7.779 23 2HG GLU 839 2HG GLU 839 -15.886 -1.819 9.100 24 H THR 840 H THR 840 -12.611 -2.544 4.985 25 HA THR 840 HA THR 840 -13.632 -0.810 2.862 26 HB THR 840 HB THR 840 -10.844 -1.965 3.023 27 HG1 THR 840 1HG THR 840 -10.505 -0.904 4.788 28 1HG2 THR 840 1HG2 THR 840 -11.881 0.798 2.272 29 2HG2 THR 840 2HG2 THR 840 -10.250 0.142 1.993 30 3HG2 THR 840 3HG2 THR 840 -11.640 -0.519 1.098 31 H LEU 841 H LEU 841 -11.953 -3.998 3.072 32 HA LEU 841 HA LEU 841 -12.208 -4.596 0.302 33 1HB LEU 841 1HB LEU 841 -11.575 -6.083 2.822 34 2HB LEU 841 2HB LEU 841 -12.043 -7.041 1.397 35 HG LEU 841 HG LEU 841 -9.550 -5.612 1.937 36 1HD1 LEU 841 1HD1 LEU 841 -9.731 -7.051 -0.592 37 2HD1 LEU 841 2HD1 LEU 841 -8.791 -7.449 0.867 38 3HD1 LEU 841 3HD1 LEU 841 -10.483 -7.985 0.725 39 1HD2 LEU 841 1HD2 LEU 841 -9.310 -4.682 -0.372 40 2HD2 LEU 841 2HD2 LEU 841 -11.034 -5.022 -0.660 41 3HD2 LEU 841 3HD2 LEU 841 -10.554 -3.836 0.579 42 H CYS 842 H CYS 842 -14.595 -4.168 2.603 43 HA CYS 842 HA CYS 842 -16.385 -6.286 2.248 44 1HB CYS 842 1HB CYS 842 -16.448 -4.085 3.721 45 2HB CYS 842 2HB CYS 842 -17.380 -3.446 2.344 46 HG CYS 842 HG CYS 842 -19.230 -5.135 2.306 47 H GLN 843 H GLN 843 -15.120 -4.184 -0.104 48 HA GLN 843 HA GLN 843 -17.439 -4.722 -1.900 49 1HB GLN 843 1HB GLN 843 -15.357 -2.596 -2.402 50 2HB GLN 843 2HB GLN 843 -17.039 -2.685 -2.976 51 1HG GLN 843 1HG GLN 843 -17.023 -2.714 -0.092 52 2HG GLN 843 2HG GLN 843 -16.037 -1.349 -0.661 53 1HE2 GLN 843 1HE2 GLN 843 -19.097 -2.182 0.262 54 2HE2 GLN 843 2HE2 GLN 843 -20.026 -1.020 -0.660 55 H THR 844 H THR 844 -16.411 -6.897 -2.152 56 HA THR 844 HA THR 844 -15.200 -8.375 -3.411 57 HB THR 844 HB THR 844 -15.741 -6.130 -5.083 58 HG1 THR 844 1HG THR 844 -15.811 -7.748 -6.594 59 1HG2 THR 844 1HG2 THR 844 -13.653 -6.710 -6.640 60 2HG2 THR 844 2HG2 THR 844 -13.544 -5.445 -5.392 61 3HG2 THR 844 3HG2 THR 844 -12.883 -7.067 -5.075 62 H LYS 845 H LYS 845 -13.263 -5.379 -3.917 63 HA LYS 845 HA LYS 845 -11.187 -6.357 -2.105 64 1HB LYS 845 1HB LYS 845 -11.105 -7.000 -4.897 65 2HB LYS 845 2HB LYS 845 -9.843 -5.787 -4.570 66 1HG LYS 845 1HG LYS 845 -8.806 -7.887 -4.128 67 2HG LYS 845 2HG LYS 845 -9.222 -7.234 -2.525 68 1HD LYS 845 1HD LYS 845 -11.382 -8.816 -3.789 69 2HD LYS 845 2HD LYS 845 -9.911 -9.750 -3.426 70 1HE LYS 845 1HE LYS 845 -9.963 -9.039 -1.105 71 2HE LYS 845 2HE LYS 845 -11.308 -7.925 -1.431 72 1HZ LYS 845 1HZ LYS 845 -12.529 -9.972 -2.147 73 2HZ LYS 845 2HZ LYS 845 -11.337 -10.847 -1.416 74 3HZ LYS 845 3HZ LYS 845 -12.256 -9.802 -0.529 75 H VAL 846 H VAL 846 -13.025 -3.965 -3.471 76 HA VAL 846 HA VAL 846 -12.775 -1.681 -3.753 77 HB VAL 846 HB VAL 846 -11.490 -0.796 -1.559 78 1HG1 VAL 846 1HG1 VAL 846 -13.609 -0.570 -0.647 79 2HG1 VAL 846 2HG1 VAL 846 -14.049 -0.980 -2.322 80 3HG1 VAL 846 3HG1 VAL 846 -14.081 -2.236 -1.061 81 1HG2 VAL 846 1HG2 VAL 846 -11.055 -2.371 0.029 82 2HG2 VAL 846 2HG2 VAL 846 -12.511 -3.313 -0.374 83 3HG2 VAL 846 3HG2 VAL 846 -11.031 -3.505 -1.343 84 H LEU 847 H LEU 847 -11.546 -0.541 -5.122 85 HA LEU 847 HA LEU 847 -8.647 -0.380 -4.669 86 1HB LEU 847 1HB LEU 847 -9.662 -1.190 -7.403 87 2HB LEU 847 2HB LEU 847 -7.999 -1.241 -6.769 88 HG LEU 847 HG LEU 847 -9.167 -3.497 -6.891 89 1HD1 LEU 847 1HD1 LEU 847 -8.758 -3.529 -4.086 90 2HD1 LEU 847 2HD1 LEU 847 -7.577 -3.938 -5.353 91 3HD1 LEU 847 3HD1 LEU 847 -7.668 -2.275 -4.724 92 1HD2 LEU 847 1HD2 LEU 847 -11.234 -2.024 -5.645 93 2HD2 LEU 847 2HD2 LEU 847 -11.196 -3.778 -5.945 94 3HD2 LEU 847 3HD2 LEU 847 -10.614 -3.127 -4.393 95 H LEU 848 H LEU 848 -9.277 1.813 -4.146 96 HA LEU 848 HA LEU 848 -10.347 3.410 -6.389 97 1HB LEU 848 1HB LEU 848 -10.167 3.654 -3.439 98 2HB LEU 848 2HB LEU 848 -9.908 5.167 -4.340 99 HG LEU 848 HG LEU 848 -12.189 3.384 -5.159 100 1HD1 LEU 848 1HD1 LEU 848 -13.268 5.236 -3.342 101 2HD1 LEU 848 2HD1 LEU 848 -13.128 3.478 -3.105 102 3HD1 LEU 848 3HD1 LEU 848 -11.851 4.561 -2.503 103 1HD2 LEU 848 1HD2 LEU 848 -12.150 6.393 -4.849 104 2HD2 LEU 848 2HD2 LEU 848 -11.348 5.621 -6.238 105 3HD2 LEU 848 3HD2 LEU 848 -13.095 5.394 -5.979 106 H ASP 849 H ASP 849 -9.239 5.725 -6.456 107 HA ASP 849 HA ASP 849 -6.512 5.226 -7.311 108 1HB ASP 849 1HB ASP 849 -6.576 7.609 -7.949 109 2HB ASP 849 2HB ASP 849 -8.005 6.735 -8.544 110 H ILE 850 H ILE 850 -6.761 4.614 -4.580 111 HA ILE 850 HA ILE 850 -6.020 6.797 -2.886 112 HB ILE 850 HB ILE 850 -5.010 4.167 -2.078 113 1HG1 ILE 850 1HG1 ILE 850 -6.951 3.725 -3.803 114 2HG1 ILE 850 2HG1 ILE 850 -6.966 2.884 -2.234 115 1HG2 ILE 850 1HG2 ILE 850 -5.984 6.440 -0.889 116 2HG2 ILE 850 2HG2 ILE 850 -7.409 5.377 -0.812 117 3HG2 ILE 850 3HG2 ILE 850 -5.871 4.859 -0.080 118 1HD1 ILE 850 1HD1 ILE 850 -8.307 5.043 -1.458 119 2HD1 ILE 850 2HD1 ILE 850 -8.668 5.176 -3.196 120 3HD1 ILE 850 3HD1 ILE 850 -9.141 3.713 -2.297 121 H PHE 851 H PHE 851 -3.863 3.998 -3.173 122 HA PHE 851 HA PHE 851 -1.521 5.588 -2.964 123 1HB PHE 851 1HB PHE 851 -1.599 2.851 -4.228 124 2HB PHE 851 2HB PHE 851 -0.349 3.567 -3.196 125 HD1 PHE 851 1HD PHE 851 -1.608 4.464 -0.827 126 HD2 PHE 851 2HD PHE 851 -2.603 1.035 -3.215 127 HE1 PHE 851 1HE PHE 851 -2.619 3.374 1.159 128 HE2 PHE 851 2HE PHE 851 -3.615 -0.055 -1.230 129 HZ PHE 851 HZ PHE 851 -3.623 1.115 0.957 130 H THR 852 H THR 852 -3.335 6.487 -5.114 131 HA THR 852 HA THR 852 -2.715 5.851 -7.687 132 HB THR 852 HB THR 852 -3.972 7.939 -6.455 133 HG1 THR 852 1HG THR 852 -4.640 7.463 -8.425 134 1HG2 THR 852 1HG2 THR 852 -2.863 10.012 -7.263 135 2HG2 THR 852 2HG2 THR 852 -1.851 9.143 -6.085 136 3HG2 THR 852 3HG2 THR 852 -1.480 9.042 -7.823 137 H GLY 853 H GLY 853 -0.722 5.140 -8.305 138 1HA GLY 853 1HA GLY 853 1.447 5.365 -9.049 139 2HA GLY 853 2HA GLY 853 1.354 7.104 -8.687 140 H VAL 854 H VAL 854 0.359 5.485 -5.943 141 HA VAL 854 HA VAL 854 2.808 6.122 -4.540 142 HB VAL 854 HB VAL 854 0.083 5.071 -3.872 143 1HG1 VAL 854 1HG1 VAL 854 1.963 3.590 -2.808 144 2HG1 VAL 854 2HG1 VAL 854 2.289 5.021 -1.801 145 3HG1 VAL 854 3HG1 VAL 854 0.688 4.245 -1.753 146 1HG2 VAL 854 1HG2 VAL 854 1.958 7.246 -2.867 147 2HG2 VAL 854 2HG2 VAL 854 0.430 7.449 -3.756 148 3HG2 VAL 854 3HG2 VAL 854 0.411 6.858 -2.077 149 H ARG 855 H ARG 855 4.582 4.884 -4.709 150 HA ARG 855 HA ARG 855 4.229 1.964 -5.098 151 1HB ARG 855 1HB ARG 855 6.394 1.960 -6.033 152 2HB ARG 855 2HB ARG 855 5.678 3.478 -6.626 153 1HG ARG 855 1HG ARG 855 6.720 4.494 -4.424 154 2HG ARG 855 2HG ARG 855 7.769 3.058 -4.489 155 1HD ARG 855 1HD ARG 855 8.715 5.076 -5.670 156 2HD ARG 855 2HD ARG 855 8.545 3.641 -6.704 157 HE ARG 855 HE ARG 855 6.615 4.660 -7.747 158 1HH1 ARG 855 2HH2 ARG 855 8.441 6.717 -5.525 159 2HH1 ARG 855 1HH2 ARG 855 7.813 8.214 -6.177 160 1HH2 ARG 855 2HH1 ARG 855 5.786 6.638 -8.609 161 2HH2 ARG 855 1HH1 ARG 855 6.299 8.168 -7.936 162 H LEU 856 H LEU 856 3.578 1.687 -2.830 163 HA LEU 856 HA LEU 856 5.728 2.156 -0.856 164 1HB LEU 856 1HB LEU 856 3.990 2.509 0.517 165 2HB LEU 856 2HB LEU 856 2.865 2.145 -0.813 166 HG LEU 856 HG LEU 856 2.550 0.659 1.190 167 1HD1 LEU 856 1HD1 LEU 856 3.558 -1.275 -0.795 168 2HD1 LEU 856 2HD1 LEU 856 1.898 -1.001 -0.214 169 3HD1 LEU 856 3HD1 LEU 856 2.565 0.016 -1.513 170 1HD2 LEU 856 1HD2 LEU 856 4.783 -1.097 0.693 171 2HD2 LEU 856 2HD2 LEU 856 5.400 0.542 1.011 172 3HD2 LEU 856 3HD2 LEU 856 4.343 -0.258 2.200 173 H TYR 857 H TYR 857 7.097 0.583 -0.256 174 HA TYR 857 HA TYR 857 7.030 -1.991 -1.480 175 1HB TYR 857 1HB TYR 857 9.159 -1.526 -0.866 176 2HB TYR 857 2HB TYR 857 8.657 -0.525 0.506 177 HD1 TYR 857 1HD TYR 857 9.916 -1.316 2.312 178 HD2 TYR 857 2HD TYR 857 7.863 -4.112 -0.221 179 HE1 TYR 857 1HE TYR 857 10.500 -3.155 3.870 180 HE2 TYR 857 2HE TYR 857 8.446 -5.951 1.337 181 HH TYR 857 HH TYR 857 9.990 -5.380 4.457 182 H LEU 858 H LEU 858 5.462 -3.449 -1.092 183 HA LEU 858 HA LEU 858 4.276 -3.607 1.603 184 1HB LEU 858 1HB LEU 858 2.832 -3.584 -0.423 185 2HB LEU 858 2HB LEU 858 3.604 -5.093 -0.967 186 HG LEU 858 HG LEU 858 2.461 -6.365 0.541 187 1HD1 LEU 858 1HD1 LEU 858 1.897 -5.450 2.873 188 2HD1 LEU 858 2HD1 LEU 858 3.628 -5.620 2.493 189 3HD1 LEU 858 3HD1 LEU 858 2.857 -4.017 2.431 190 1HD2 LEU 858 1HD2 LEU 858 0.868 -4.408 -0.476 191 2HD2 LEU 858 2HD2 LEU 858 0.263 -5.709 0.578 192 3HD2 LEU 858 3HD2 LEU 858 0.645 -4.111 1.265 193 HA PRO 859 HA PRO 859 7.225 -6.888 2.416 194 1HB PRO 859 1HB PRO 859 6.742 -7.064 5.091 195 2HB PRO 859 2HB PRO 859 7.620 -5.672 4.379 196 1HG PRO 859 1HG PRO 859 4.666 -5.838 5.041 197 2HG PRO 859 2HG PRO 859 5.824 -4.563 5.543 198 1HD PRO 859 1HD PRO 859 4.232 -4.255 3.352 199 2HD PRO 859 2HD PRO 859 5.932 -3.695 3.324 200 HA PRO 860 HA PRO 860 4.418 -10.290 2.163 201 1HB PRO 860 1HB PRO 860 6.114 -12.348 2.721 202 2HB PRO 860 2HB PRO 860 6.287 -11.357 1.236 203 1HG PRO 860 1HG PRO 860 7.756 -11.001 3.864 204 2HG PRO 860 2HG PRO 860 8.474 -11.127 2.225 205 1HD PRO 860 1HD PRO 860 7.992 -8.708 3.385 206 2HD PRO 860 2HD PRO 860 7.680 -8.955 1.640 207 H SER 861 H SER 861 6.187 -9.383 5.036 208 HA SER 861 HA SER 861 4.837 -11.331 6.750 209 1HB SER 861 1HB SER 861 7.126 -9.594 6.894 210 2HB SER 861 2HB SER 861 6.036 -9.221 8.251 211 HG SER 861 HG SER 861 6.097 -11.346 8.866 212 H THR 862 H THR 862 4.183 -8.232 5.388 213 HA THR 862 HA THR 862 2.635 -7.075 7.472 214 HB THR 862 HB THR 862 3.178 -6.633 4.632 215 HG1 THR 862 1HG THR 862 2.911 -4.488 5.394 216 1HG2 THR 862 1HG2 THR 862 1.097 -5.485 4.086 217 2HG2 THR 862 2HG2 THR 862 0.722 -7.170 4.522 218 3HG2 THR 862 3HG2 THR 862 0.427 -5.861 5.692 219 HA PRO 863 HA PRO 863 -0.928 -9.664 7.474 220 1HB PRO 863 1HB PRO 863 -2.667 -8.033 8.793 221 2HB PRO 863 2HB PRO 863 -1.218 -8.719 9.598 222 1HG PRO 863 1HG PRO 863 -1.486 -5.986 8.312 223 2HG PRO 863 2HG PRO 863 -0.902 -6.357 9.967 224 1HD PRO 863 1HD PRO 863 0.832 -5.991 7.895 225 2HD PRO 863 2HD PRO 863 1.132 -7.266 9.115 226 H ASP 864 H ASP 864 -2.697 -10.009 6.155 227 HA ASP 864 HA ASP 864 -4.284 -9.608 4.544 228 1HB ASP 864 1HB ASP 864 -4.050 -7.107 5.923 229 2HB ASP 864 2HB ASP 864 -4.158 -6.771 4.182 230 H PHE 865 H PHE 865 -1.131 -9.439 4.285 231 HA PHE 865 HA PHE 865 -0.309 -7.926 2.155 232 1HB PHE 865 1HB PHE 865 0.957 -9.680 3.518 233 2HB PHE 865 2HB PHE 865 0.308 -10.881 2.389 234 HD1 PHE 865 1HD PHE 865 2.010 -7.526 2.235 235 HD2 PHE 865 2HD PHE 865 1.686 -11.504 0.645 236 HE1 PHE 865 1HE PHE 865 3.864 -7.047 0.659 237 HE2 PHE 865 2HE PHE 865 3.540 -11.025 -0.931 238 HZ PHE 865 HZ PHE 865 4.629 -8.797 -0.924 239 H SER 866 H SER 866 -2.012 -11.097 1.946 240 HA SER 866 HA SER 866 -2.140 -11.721 -0.623 241 1HB SER 866 1HB SER 866 -3.600 -12.714 1.099 242 2HB SER 866 2HB SER 866 -4.622 -11.256 1.078 243 HG SER 866 HG SER 866 -4.676 -11.769 -1.321 244 H ARG 867 H ARG 867 -4.800 -9.538 0.378 245 HA ARG 867 HA ARG 867 -5.058 -8.458 -2.261 246 1HB ARG 867 1HB ARG 867 -6.080 -7.201 0.303 247 2HB ARG 867 2HB ARG 867 -6.793 -7.129 -1.327 248 1HG ARG 867 1HG ARG 867 -7.945 -9.032 -0.958 249 2HG ARG 867 2HG ARG 867 -6.451 -9.894 -0.518 250 1HD ARG 867 1HD ARG 867 -6.966 -9.803 1.672 251 2HD ARG 867 2HD ARG 867 -7.219 -8.046 1.589 252 HE ARG 867 HE ARG 867 -9.490 -8.424 1.579 253 1HH1 ARG 867 2HH2 ARG 867 -7.795 -11.328 0.486 254 2HH1 ARG 867 1HH2 ARG 867 -9.245 -12.301 0.380 255 1HH2 ARG 867 2HH1 ARG 867 -11.406 -9.709 1.440 256 2HH2 ARG 867 1HH1 ARG 867 -11.304 -11.378 0.924 257 H LEU 868 H LEU 868 -3.523 -7.311 0.766 258 HA LEU 868 HA LEU 868 -2.932 -4.720 0.307 259 1HB LEU 868 1HB LEU 868 -1.433 -7.000 1.487 260 2HB LEU 868 2HB LEU 868 -0.462 -5.564 1.083 261 HG LEU 868 HG LEU 868 -2.334 -5.956 3.271 262 1HD1 LEU 868 1HD1 LEU 868 -0.569 -4.802 4.091 263 2HD1 LEU 868 2HD1 LEU 868 -0.062 -4.295 2.462 264 3HD1 LEU 868 3HD1 LEU 868 -1.287 -3.354 3.346 265 1HD2 LEU 868 1HD2 LEU 868 -2.823 -3.490 1.554 266 2HD2 LEU 868 2HD2 LEU 868 -3.895 -4.911 1.563 267 3HD2 LEU 868 3HD2 LEU 868 -3.672 -3.955 3.048 268 H ARG 869 H ARG 869 -1.171 -7.472 -1.210 269 HA ARG 869 HA ARG 869 0.562 -5.827 -2.771 270 1HB ARG 869 1HB ARG 869 0.775 -8.320 -2.174 271 2HB ARG 869 2HB ARG 869 -0.378 -8.617 -3.497 272 1HG ARG 869 1HG ARG 869 1.447 -8.637 -4.848 273 2HG ARG 869 2HG ARG 869 1.437 -6.868 -4.656 274 1HD ARG 869 1HD ARG 869 3.627 -7.442 -4.034 275 2HD ARG 869 2HD ARG 869 2.788 -7.335 -2.471 276 HE ARG 869 HE ARG 869 2.984 -9.646 -2.205 277 1HH1 ARG 869 2HH2 ARG 869 3.947 -8.632 -5.453 278 2HH1 ARG 869 1HH2 ARG 869 4.655 -10.176 -5.873 279 1HH2 ARG 869 2HH1 ARG 869 3.919 -11.685 -2.760 280 2HH2 ARG 869 1HH1 ARG 869 4.639 -11.916 -4.338 281 H ARG 870 H ARG 870 -1.833 -8.053 -4.227 282 HA ARG 870 HA ARG 870 -2.135 -6.787 -6.639 283 1HB ARG 870 1HB ARG 870 -3.178 -8.953 -5.953 284 2HB ARG 870 2HB ARG 870 -4.388 -8.040 -5.020 285 1HG ARG 870 1HG ARG 870 -4.268 -6.872 -7.625 286 2HG ARG 870 2HG ARG 870 -4.365 -8.636 -7.842 287 1HD ARG 870 1HD ARG 870 -6.319 -8.730 -6.353 288 2HD ARG 870 2HD ARG 870 -6.205 -6.980 -6.066 289 HE ARG 870 HE ARG 870 -7.113 -6.571 -8.181 290 1HH1 ARG 870 2HH2 ARG 870 -6.370 -9.998 -7.725 291 2HH1 ARG 870 1HH2 ARG 870 -7.248 -10.518 -9.146 292 1HH2 ARG 870 2HH1 ARG 870 -8.273 -7.258 -10.058 293 2HH2 ARG 870 1HH1 ARG 870 -8.333 -8.956 -10.476 294 H TYR 871 H TYR 871 -4.320 -6.241 -3.810 295 HA TYR 871 HA TYR 871 -5.908 -4.243 -4.738 296 1HB TYR 871 1HB TYR 871 -5.771 -5.247 -2.403 297 2HB TYR 871 2HB TYR 871 -4.492 -4.068 -2.064 298 HD1 TYR 871 1HD TYR 871 -7.702 -3.710 -3.976 299 HD2 TYR 871 2HD TYR 871 -5.381 -2.529 -0.560 300 HE1 TYR 871 1HE TYR 871 -9.418 -2.017 -3.395 301 HE2 TYR 871 2HE TYR 871 -7.097 -0.836 0.021 302 HH TYR 871 HH TYR 871 -9.822 -0.092 -2.089 303 H PHE 872 H PHE 872 -2.798 -3.511 -3.046 304 HA PHE 872 HA PHE 872 -2.678 -0.805 -3.656 305 1HB PHE 872 1HB PHE 872 -1.152 -2.276 -2.197 306 2HB PHE 872 2HB PHE 872 -0.263 -2.626 -3.690 307 HD1 PHE 872 1HD PHE 872 0.152 -0.303 -5.129 308 HD2 PHE 872 2HD PHE 872 -0.191 -0.661 -0.862 309 HE1 PHE 872 1HE PHE 872 1.450 1.791 -4.849 310 HE2 PHE 872 2HE PHE 872 1.107 1.434 -0.582 311 HZ PHE 872 HZ PHE 872 1.927 2.660 -2.576 312 H VAL 873 H VAL 873 -0.159 -2.671 -5.252 313 HA VAL 873 HA VAL 873 0.263 -1.241 -7.460 314 HB VAL 873 HB VAL 873 1.543 -3.131 -7.528 315 1HG1 VAL 873 1HG1 VAL 873 -0.963 -4.597 -6.619 316 2HG1 VAL 873 2HG1 VAL 873 0.558 -5.429 -7.021 317 3HG1 VAL 873 3HG1 VAL 873 0.508 -4.266 -5.674 318 1HG2 VAL 873 1HG2 VAL 873 -0.725 -4.394 -9.081 319 2HG2 VAL 873 2HG2 VAL 873 0.074 -2.926 -9.693 320 3HG2 VAL 873 3HG2 VAL 873 1.021 -4.410 -9.430 321 H ALA 874 H ALA 874 -2.623 -3.249 -6.913 322 HA ALA 874 HA ALA 874 -3.701 -3.168 -9.516 323 1HB ALA 874 1HB ALA 874 -5.920 -3.371 -8.223 324 2HB ALA 874 2HB ALA 874 -4.696 -4.632 -7.937 325 3HB ALA 874 3HB ALA 874 -4.924 -3.328 -6.748 326 H PHE 875 H PHE 875 -4.387 -0.997 -6.709 327 HA PHE 875 HA PHE 875 -6.128 0.782 -7.791 328 1HB PHE 875 1HB PHE 875 -3.623 1.554 -6.259 329 2HB PHE 875 2HB PHE 875 -5.123 2.491 -6.371 330 HD1 PHE 875 1HD PHE 875 -6.116 -0.842 -6.259 331 HD2 PHE 875 2HD PHE 875 -4.487 2.232 -3.740 332 HE1 PHE 875 1HE PHE 875 -7.001 -2.012 -4.260 333 HE2 PHE 875 2HE PHE 875 -5.371 1.062 -1.740 334 HZ PHE 875 HZ PHE 875 -6.628 -1.060 -2.000 335 H ASP 876 H ASP 876 -2.592 0.696 -8.405 336 HA ASP 876 HA ASP 876 -2.303 1.238 -10.945 337 1HB ASP 876 1HB ASP 876 -3.712 3.583 -9.741 338 2HB ASP 876 2HB ASP 876 -2.438 3.924 -10.933 339 H GLY 877 H GLY 877 -1.166 1.147 -7.995 340 1HA GLY 877 1HA GLY 877 1.115 3.000 -8.377 341 2HA GLY 877 2HA GLY 877 0.689 2.136 -6.882 342 H ASP 878 H ASP 878 2.627 1.080 -6.513 343 HA ASP 878 HA ASP 878 3.118 -1.275 -8.140 344 1HB ASP 878 1HB ASP 878 4.634 1.184 -8.585 345 2HB ASP 878 2HB ASP 878 5.682 -0.159 -8.081 346 H LEU 879 H LEU 879 4.807 -2.654 -7.157 347 HA LEU 879 HA LEU 879 5.392 -1.915 -4.336 348 1HB LEU 879 1HB LEU 879 4.551 -4.703 -5.171 349 2HB LEU 879 2HB LEU 879 4.636 -4.008 -3.534 350 HG LEU 879 HG LEU 879 2.652 -3.339 -5.741 351 1HD1 LEU 879 1HD1 LEU 879 1.654 -5.071 -4.613 352 2HD1 LEU 879 2HD1 LEU 879 2.637 -4.820 -3.150 353 3HD1 LEU 879 3HD1 LEU 879 1.230 -3.776 -3.466 354 1HD2 LEU 879 1HD2 LEU 879 2.002 -1.954 -3.359 355 2HD2 LEU 879 2HD2 LEU 879 3.735 -1.654 -3.634 356 3HD2 LEU 879 3HD2 LEU 879 2.550 -1.249 -4.899 357 H VAL 880 H VAL 880 7.519 -2.029 -3.964 358 HA VAL 880 HA VAL 880 9.159 -3.697 -5.796 359 HB VAL 880 HB VAL 880 10.620 -1.943 -3.980 360 1HG1 VAL 880 1HG1 VAL 880 11.931 -2.128 -5.804 361 2HG1 VAL 880 2HG1 VAL 880 10.602 -2.875 -6.723 362 3HG1 VAL 880 3HG1 VAL 880 10.778 -1.104 -6.692 363 1HG2 VAL 880 1HG2 VAL 880 9.676 0.076 -5.515 364 2HG2 VAL 880 2HG2 VAL 880 8.193 -0.900 -5.381 365 3HG2 VAL 880 3HG2 VAL 880 9.003 -0.307 -3.912 366 H GLN 881 H GLN 881 10.403 -5.359 -5.037 367 HA GLN 881 HA GLN 881 9.729 -6.534 -2.535 368 1HB GLN 881 1HB GLN 881 12.225 -7.057 -4.186 369 2HB GLN 881 2HB GLN 881 11.377 -8.183 -3.098 370 1HG GLN 881 1HG GLN 881 9.941 -8.785 -4.726 371 2HG GLN 881 2HG GLN 881 9.555 -7.089 -5.088 372 1HE2 GLN 881 1HE2 GLN 881 11.190 -9.935 -6.134 373 2HE2 GLN 881 2HE2 GLN 881 12.009 -9.249 -7.521 374 H GLU 882 H GLU 882 10.574 -6.326 -0.524 375 HA GLU 882 HA GLU 882 11.813 -4.232 0.524 376 1HB GLU 882 1HB GLU 882 11.226 -6.325 1.752 377 2HB GLU 882 2HB GLU 882 12.718 -7.073 1.133 378 1HG GLU 882 1HG GLU 882 13.785 -4.812 2.119 379 2HG GLU 882 2HG GLU 882 12.361 -4.910 3.177 380 H PHE 883 H PHE 883 13.943 -6.996 -0.386 381 HA PHE 883 HA PHE 883 16.296 -5.410 -0.442 382 1HB PHE 883 1HB PHE 883 17.352 -7.341 -1.324 383 2HB PHE 883 2HB PHE 883 16.085 -7.928 -0.233 384 HD1 PHE 883 1HD PHE 883 17.152 -7.608 -3.748 385 HD2 PHE 883 2HD PHE 883 14.127 -9.091 -1.084 386 HE1 PHE 883 1HE PHE 883 16.209 -8.982 -5.584 387 HE2 PHE 883 2HE PHE 883 13.184 -10.465 -2.920 388 HZ PHE 883 HZ PHE 883 14.225 -10.411 -5.170 389 H ASP 884 H ASP 884 13.698 -4.888 -2.277 390 HA ASP 884 HA ASP 884 15.345 -3.917 -4.543 391 1HB ASP 884 1HB ASP 884 12.762 -5.507 -4.765 392 2HB ASP 884 2HB ASP 884 13.565 -4.670 -6.112 393 H MET 885 H MET 885 15.172 -1.779 -3.908 394 HA MET 885 HA MET 885 12.502 -0.595 -4.275 395 1HB MET 885 1HB MET 885 13.305 0.814 -2.087 396 2HB MET 885 2HB MET 885 12.204 -0.583 -2.016 397 1HG MET 885 1HG MET 885 14.341 -2.019 -1.858 398 2HG MET 885 2HG MET 885 15.188 -0.503 -1.508 399 1HE MET 885 1HE MET 885 12.350 -2.983 0.978 400 2HE MET 885 2HE MET 885 11.440 -1.700 0.145 401 3HE MET 885 3HE MET 885 12.438 -2.836 -0.794 402 H THR 886 H THR 886 16.015 -0.286 -3.792 403 HA THR 886 HA THR 886 16.908 2.097 -4.011 404 HB THR 886 HB THR 886 18.436 1.537 -5.735 405 HG1 THR 886 1HG THR 886 17.879 0.402 -7.459 406 1HG2 THR 886 1HG2 THR 886 18.306 -0.050 -3.740 407 2HG2 THR 886 2HG2 THR 886 17.392 -1.159 -4.790 408 3HG2 THR 886 3HG2 THR 886 19.068 -0.722 -5.202 409 H SER 887 H SER 887 15.009 0.844 -6.814 410 HA SER 887 HA SER 887 14.652 3.616 -7.758 411 1HB SER 887 1HB SER 887 14.531 0.894 -8.906 412 2HB SER 887 2HB SER 887 13.252 1.992 -9.480 413 HG SER 887 HG SER 887 15.869 2.960 -9.310 414 H ALA 888 H ALA 888 13.088 1.270 -5.799 415 HA ALA 888 HA ALA 888 10.383 1.590 -6.336 416 1HB ALA 888 1HB ALA 888 11.893 1.299 -3.717 417 2HB ALA 888 2HB ALA 888 10.116 1.246 -3.822 418 3HB ALA 888 3HB ALA 888 11.095 0.026 -4.672 419 H THR 889 H THR 889 8.946 2.782 -4.447 420 HA THR 889 HA THR 889 9.914 5.589 -4.286 421 HB THR 889 HB THR 889 8.086 4.799 -6.158 422 HG1 THR 889 1HG THR 889 7.458 7.034 -6.056 423 1HG2 THR 889 1HG2 THR 889 6.582 4.146 -4.169 424 2HG2 THR 889 2HG2 THR 889 6.435 5.891 -3.855 425 3HG2 THR 889 3HG2 THR 889 5.863 5.214 -5.398 426 H HIS 890 H HIS 890 7.573 3.094 -3.205 427 HA HIS 890 HA HIS 890 7.509 4.489 -0.569 428 1HB HIS 890 1HB HIS 890 5.358 3.115 -2.178 429 2HB HIS 890 2HB HIS 890 5.236 3.223 -0.412 430 HD1 HIS 890 1HD HIS 890 5.076 5.431 -3.531 431 HD2 HIS 890 2HD HIS 890 4.795 5.657 0.662 432 HE1 HIS 890 1HE HIS 890 4.138 7.745 -2.980 433 H VAL 891 H VAL 891 7.140 3.020 1.289 434 HA VAL 891 HA VAL 891 7.849 0.200 0.817 435 HB VAL 891 HB VAL 891 9.612 0.499 2.709 436 1HG1 VAL 891 1HG1 VAL 891 10.700 -0.098 0.797 437 2HG1 VAL 891 2HG1 VAL 891 9.742 1.016 -0.207 438 3HG1 VAL 891 3HG1 VAL 891 11.137 1.625 0.714 439 1HG2 VAL 891 1HG2 VAL 891 10.711 2.773 2.573 440 2HG2 VAL 891 2HG2 VAL 891 9.295 3.339 1.655 441 3HG2 VAL 891 3HG2 VAL 891 9.102 2.786 3.336 442 H LEU 892 H LEU 892 6.761 -1.102 2.192 443 HA LEU 892 HA LEU 892 5.133 0.202 4.273 444 1HB LEU 892 1HB LEU 892 4.718 -1.890 2.450 445 2HB LEU 892 2HB LEU 892 4.866 -2.692 4.032 446 HG LEU 892 HG LEU 892 3.263 -0.217 4.117 447 1HD1 LEU 892 1HD1 LEU 892 2.386 -0.737 2.002 448 2HD1 LEU 892 2HD1 LEU 892 2.566 -2.490 2.250 449 3HD1 LEU 892 3HD1 LEU 892 1.276 -1.601 3.093 450 1HD2 LEU 892 1HD2 LEU 892 1.780 -1.678 5.420 451 2HD2 LEU 892 2HD2 LEU 892 2.691 -3.111 4.887 452 3HD2 LEU 892 3HD2 LEU 892 3.466 -1.906 5.943 453 H GLY 893 H GLY 893 5.754 0.258 6.349 454 1HA GLY 893 1HA GLY 893 6.429 -0.978 8.324 455 2HA GLY 893 2HA GLY 893 7.562 -1.905 7.315 456 H SER 894 H SER 894 9.324 -0.605 6.220 457 HA SER 894 HA SER 894 10.044 1.836 7.741 458 1HB SER 894 1HB SER 894 11.645 -0.724 7.501 459 2HB SER 894 2HB SER 894 12.431 0.846 7.794 460 HG SER 894 HG SER 894 10.254 -0.072 9.347 461 H ARG 895 H ARG 895 12.592 2.174 6.627 462 HA ARG 895 HA ARG 895 12.002 2.291 3.708 463 1HB ARG 895 1HB ARG 895 13.219 4.493 3.736 464 2HB ARG 895 2HB ARG 895 11.676 4.511 4.623 465 1HG ARG 895 1HG ARG 895 12.835 4.257 6.750 466 2HG ARG 895 2HG ARG 895 14.395 4.050 5.918 467 1HD ARG 895 1HD ARG 895 14.583 6.287 5.419 468 2HD ARG 895 2HD ARG 895 12.827 6.511 5.267 469 HE ARG 895 HE ARG 895 12.682 6.944 7.560 470 1HH1 ARG 895 2HH2 ARG 895 15.910 5.825 6.649 471 2HH1 ARG 895 1HH2 ARG 895 16.640 6.256 8.179 472 1HH2 ARG 895 2HH1 ARG 895 13.647 7.512 9.582 473 2HH2 ARG 895 1HH1 ARG 895 15.350 7.217 9.851 474 H ASP 896 H ASP 896 14.350 1.972 6.350 475 HA ASP 896 HA ASP 896 16.800 2.002 5.604 476 1HB ASP 896 1HB ASP 896 16.403 0.548 7.395 477 2HB ASP 896 2HB ASP 896 15.298 -0.474 6.450 478 H LYS 897 H LYS 897 15.376 -1.052 4.402 479 HA LYS 897 HA LYS 897 17.033 -1.674 2.398 480 1HB LYS 897 1HB LYS 897 14.481 -1.919 1.185 481 2HB LYS 897 2HB LYS 897 15.374 -3.157 2.100 482 1HG LYS 897 1HG LYS 897 13.331 -2.977 3.273 483 2HG LYS 897 2HG LYS 897 14.438 -1.948 4.214 484 1HD LYS 897 1HD LYS 897 13.598 -0.039 2.614 485 2HD LYS 897 2HD LYS 897 12.232 -1.139 2.312 486 1HE LYS 897 1HE LYS 897 12.715 -1.109 5.131 487 2HE LYS 897 2HE LYS 897 12.694 0.579 4.576 488 1HZ LYS 897 1HZ LYS 897 10.535 0.431 4.464 489 2HZ LYS 897 2HZ LYS 897 10.635 -0.761 3.329 490 3HZ LYS 897 3HZ LYS 897 10.558 -1.151 4.930 491 H ASN 898 H ASN 898 14.783 1.067 2.363 492 HA ASN 898 HA ASN 898 16.280 2.256 0.162 493 1HB ASN 898 1HB ASN 898 14.136 0.642 -0.528 494 2HB ASN 898 2HB ASN 898 13.406 2.261 -0.460 495 1HD2 ASN 898 1HD2 ASN 898 13.193 2.809 -2.590 496 2HD2 ASN 898 2HD2 ASN 898 14.517 2.865 -3.734 497 HA PRO 899 HA PRO 899 14.830 5.348 3.142 498 1HB PRO 899 1HB PRO 899 16.932 7.052 2.820 499 2HB PRO 899 2HB PRO 899 17.089 5.519 3.739 500 1HG PRO 899 1HG PRO 899 17.791 5.998 0.828 501 2HG PRO 899 2HG PRO 899 18.836 5.276 2.095 502 1HD PRO 899 1HD PRO 899 17.389 3.719 0.391 503 2HD PRO 899 2HD PRO 899 17.541 3.275 2.118 504 H ALA 900 H ALA 900 15.204 5.174 -0.235 505 HA ALA 900 HA ALA 900 14.403 7.970 -0.711 506 1HB ALA 900 1HB ALA 900 15.815 5.941 -2.158 507 2HB ALA 900 2HB ALA 900 14.353 6.361 -3.082 508 3HB ALA 900 3HB ALA 900 15.515 7.631 -2.629 509 H ALA 901 H ALA 901 12.899 5.163 0.229 510 HA ALA 901 HA ALA 901 10.501 5.599 -1.456 511 1HB ALA 901 1HB ALA 901 11.215 3.408 0.534 512 2HB ALA 901 2HB ALA 901 9.742 3.461 -0.464 513 3HB ALA 901 3HB ALA 901 11.335 3.295 -1.239 514 H GLN 902 H GLN 902 8.613 4.589 0.428 515 HA GLN 902 HA GLN 902 8.648 6.747 2.485 516 1HB GLN 902 1HB GLN 902 6.611 5.990 0.440 517 2HB GLN 902 2HB GLN 902 6.003 6.377 2.067 518 1HG GLN 902 1HG GLN 902 7.738 8.122 0.277 519 2HG GLN 902 2HG GLN 902 6.065 8.431 0.790 520 1HE2 GLN 902 1HE2 GLN 902 6.275 7.664 3.522 521 2HE2 GLN 902 2HE2 GLN 902 7.293 8.827 4.343 522 H GLN 903 H GLN 903 8.280 6.094 4.539 523 HA GLN 903 HA GLN 903 7.905 3.221 4.994 524 1HB GLN 903 1HB GLN 903 8.352 5.556 6.896 525 2HB GLN 903 2HB GLN 903 8.341 3.837 7.355 526 1HG GLN 903 1HG GLN 903 10.545 3.801 6.878 527 2HG GLN 903 2HG GLN 903 10.092 3.965 5.168 528 1HE2 GLN 903 1HE2 GLN 903 10.006 6.110 4.215 529 2HE2 GLN 903 2HE2 GLN 903 10.953 7.414 4.900 530 H VAL 904 H VAL 904 5.668 3.438 3.958 531 HA VAL 904 HA VAL 904 3.655 4.668 5.712 532 HB VAL 904 HB VAL 904 2.362 4.691 3.857 533 1HG1 VAL 904 1HG1 VAL 904 4.657 3.561 2.256 534 2HG1 VAL 904 2HG1 VAL 904 3.584 4.929 1.877 535 3HG1 VAL 904 3HG1 VAL 904 4.859 5.112 3.105 536 1HG2 VAL 904 1HG2 VAL 904 3.291 1.821 3.558 537 2HG2 VAL 904 2HG2 VAL 904 1.661 2.430 3.930 538 3HG2 VAL 904 3HG2 VAL 904 2.329 2.617 2.290 539 H SER 905 H SER 905 1.617 3.250 6.093 540 HA SER 905 HA SER 905 2.478 0.501 6.855 541 1HB SER 905 1HB SER 905 1.942 2.615 8.615 542 2HB SER 905 2HB SER 905 0.444 1.654 8.606 543 HG SER 905 HG SER 905 1.978 0.881 10.124 544 HA PRO 906 HA PRO 906 -1.420 -0.977 5.408 545 1HB PRO 906 1HB PRO 906 -2.785 -2.118 7.471 546 2HB PRO 906 2HB PRO 906 -1.203 -2.756 6.917 547 1HG PRO 906 1HG PRO 906 -1.709 -0.835 9.207 548 2HG PRO 906 2HG PRO 906 -0.770 -2.363 9.255 549 1HD PRO 906 1HD PRO 906 0.453 0.047 8.902 550 2HD PRO 906 2HD PRO 906 1.001 -1.391 7.989 551 H GLU 907 H GLU 907 -1.625 1.215 8.182 552 HA GLU 907 HA GLU 907 -4.430 1.795 7.901 553 1HB GLU 907 1HB GLU 907 -2.085 2.903 9.399 554 2HB GLU 907 2HB GLU 907 -3.509 3.950 9.193 555 1HG GLU 907 1HG GLU 907 -4.032 2.813 11.168 556 2HG GLU 907 2HG GLU 907 -4.849 1.818 9.943 557 H TRP 908 H TRP 908 -1.441 3.006 6.443 558 HA TRP 908 HA TRP 908 -2.550 5.426 5.386 559 1HB TRP 908 1HB TRP 908 -0.167 5.124 5.616 560 2HB TRP 908 2HB TRP 908 -0.199 3.695 4.574 561 HD1 TRP 908 HD TRP 908 -0.464 7.508 4.438 562 HE1 TRP 908 1HE TRP 908 0.045 8.328 2.081 563 HE3 TRP 908 3HE TRP 908 -0.175 2.987 2.055 564 HZ2 TRP 908 2HZ TRP 908 0.521 7.172 -0.529 565 HZ3 TRP 908 3HZ TRP 908 0.307 2.887 -0.363 566 HH2 TRP 908 HH TRP 908 0.656 4.965 -1.666 567 H ILE 909 H ILE 909 -2.068 2.128 4.034 568 HA ILE 909 HA ILE 909 -3.008 2.626 1.439 569 HB ILE 909 HB ILE 909 -2.772 0.260 3.248 570 1HG1 ILE 909 1HG1 ILE 909 -2.046 -0.083 0.461 571 2HG1 ILE 909 2HG1 ILE 909 -1.382 1.450 1.077 572 1HG2 ILE 909 1HG2 ILE 909 -4.825 0.558 1.129 573 2HG2 ILE 909 2HG2 ILE 909 -3.793 -0.883 0.963 574 3HG2 ILE 909 3HG2 ILE 909 -4.721 -0.620 2.459 575 1HD1 ILE 909 1HD1 ILE 909 -0.848 -1.371 1.983 576 2HD1 ILE 909 2HD1 ILE 909 0.292 -0.028 1.728 577 3HD1 ILE 909 3HD1 ILE 909 -0.744 -0.054 3.176 578 H TRP 910 H TRP 910 -4.837 1.554 4.360 579 HA TRP 910 HA TRP 910 -7.374 1.486 3.106 580 1HB TRP 910 1HB TRP 910 -6.767 2.187 5.991 581 2HB TRP 910 2HB TRP 910 -8.260 1.491 5.347 582 HD1 TRP 910 HD TRP 910 -5.501 0.475 7.312 583 HE1 TRP 910 1HE TRP 910 -4.987 -2.015 7.172 584 HE3 TRP 910 3HE TRP 910 -8.135 -0.656 3.072 585 HZ2 TRP 910 2HZ TRP 910 -5.634 -4.238 5.435 586 HZ3 TRP 910 3HZ TRP 910 -8.162 -2.967 2.207 587 HH2 TRP 910 HH TRP 910 -6.920 -4.765 3.373 588 H ALA 911 H ALA 911 -6.058 4.022 5.318 589 HA ALA 911 HA ALA 911 -8.069 5.913 4.899 590 1HB ALA 911 1HB ALA 911 -5.190 6.753 5.194 591 2HB ALA 911 2HB ALA 911 -6.647 7.411 5.977 592 3HB ALA 911 3HB ALA 911 -5.982 5.847 6.505 593 H CYS 912 H CYS 912 -5.283 5.048 2.891 594 HA CYS 912 HA CYS 912 -5.440 7.347 1.166 595 1HB CYS 912 1HB CYS 912 -4.179 4.593 0.908 596 2HB CYS 912 2HB CYS 912 -4.032 5.854 -0.341 597 HG CYS 912 HG CYS 912 -2.072 6.724 0.625 598 H ILE 913 H ILE 913 -5.940 3.933 0.166 599 HA ILE 913 HA ILE 913 -7.429 4.375 -2.088 600 HB ILE 913 HB ILE 913 -6.739 2.153 -1.487 601 1HG1 ILE 913 1HG1 ILE 913 -9.777 2.314 -1.288 602 2HG1 ILE 913 2HG1 ILE 913 -8.849 2.365 -2.806 603 1HG2 ILE 913 1HG2 ILE 913 -8.650 1.529 0.599 604 2HG2 ILE 913 2HG2 ILE 913 -6.874 1.401 0.634 605 3HG2 ILE 913 3HG2 ILE 913 -7.666 2.930 1.088 606 1HD1 ILE 913 1HD1 ILE 913 -8.174 0.109 -0.993 607 2HD1 ILE 913 2HD1 ILE 913 -9.818 0.064 -1.673 608 3HD1 ILE 913 3HD1 ILE 913 -8.408 0.125 -2.757 609 H ARG 914 H ARG 914 -8.596 4.368 1.295 610 HA ARG 914 HA ARG 914 -11.367 4.658 0.610 611 1HB ARG 914 1HB ARG 914 -10.309 3.875 2.823 612 2HB ARG 914 2HB ARG 914 -10.044 5.600 3.169 613 1HG ARG 914 1HG ARG 914 -12.689 5.506 2.276 614 2HG ARG 914 2HG ARG 914 -12.526 4.033 3.261 615 1HD ARG 914 1HD ARG 914 -11.194 6.277 4.544 616 2HD ARG 914 2HD ARG 914 -12.886 6.682 4.184 617 HE ARG 914 HE ARG 914 -13.098 4.192 5.284 618 1HH1 ARG 914 2HH2 ARG 914 -11.444 7.162 6.258 619 2HH1 ARG 914 1HH2 ARG 914 -11.599 6.848 7.972 620 1HH2 ARG 914 2HH1 ARG 914 -13.302 3.778 7.549 621 2HH2 ARG 914 1HH1 ARG 914 -12.658 4.919 8.708 622 H LYS 915 H LYS 915 -8.639 6.873 0.970 623 HA LYS 915 HA LYS 915 -10.400 9.224 0.963 624 1HB LYS 915 1HB LYS 915 -7.415 8.755 1.135 625 2HB LYS 915 2HB LYS 915 -8.084 10.380 0.854 626 1HG LYS 915 1HG LYS 915 -9.052 8.611 3.124 627 2HG LYS 915 2HG LYS 915 -7.660 9.704 3.308 628 1HD LYS 915 1HD LYS 915 -8.983 11.637 2.916 629 2HD LYS 915 2HD LYS 915 -10.322 10.684 2.231 630 1HE LYS 915 1HE LYS 915 -11.134 10.093 4.289 631 2HE LYS 915 2HE LYS 915 -9.515 9.996 5.016 632 1HZ LYS 915 1HZ LYS 915 -9.721 12.575 4.550 633 2HZ LYS 915 2HZ LYS 915 -11.309 12.222 4.825 634 3HZ LYS 915 3HZ LYS 915 -10.174 11.867 5.968 635 H ARG 916 H ARG 916 -9.025 7.076 -1.295 636 HA ARG 916 HA ARG 916 -8.969 7.109 -3.585 637 1HB ARG 916 1HB ARG 916 -10.735 9.460 -2.963 638 2HB ARG 916 2HB ARG 916 -10.140 9.252 -4.628 639 1HG ARG 916 1HG ARG 916 -12.259 8.088 -4.446 640 2HG ARG 916 2HG ARG 916 -10.971 6.863 -4.537 641 1HD ARG 916 1HD ARG 916 -12.559 6.270 -2.767 642 2HD ARG 916 2HD ARG 916 -10.987 6.692 -2.056 643 HE ARG 916 HE ARG 916 -12.231 9.069 -1.917 644 1HH1 ARG 916 2HH2 ARG 916 -13.369 5.805 -1.174 645 2HH1 ARG 916 1HH2 ARG 916 -14.485 6.329 0.067 646 1HH2 ARG 916 2HH1 ARG 916 -13.706 9.761 -0.278 647 2HH2 ARG 916 1HH1 ARG 916 -14.677 8.584 0.578 648 H ARG 917 H ARG 917 -7.422 9.253 -1.566 649 HA ARG 917 HA ARG 917 -5.560 10.019 -3.732 650 1HB ARG 917 1HB ARG 917 -5.596 12.278 -2.135 651 2HB ARG 917 2HB ARG 917 -6.400 12.119 -3.715 652 1HG ARG 917 1HG ARG 917 -7.846 11.072 -1.303 653 2HG ARG 917 2HG ARG 917 -7.751 12.838 -1.510 654 1HD ARG 917 1HD ARG 917 -8.496 12.376 -3.957 655 2HD ARG 917 2HD ARG 917 -8.974 10.773 -3.359 656 HE ARG 917 HE ARG 917 -10.137 12.520 -1.570 657 1HH1 ARG 917 2HH2 ARG 917 -10.150 12.133 -5.084 658 2HH1 ARG 917 1HH2 ARG 917 -11.767 12.769 -5.285 659 1HH2 ARG 917 2HH1 ARG 917 -12.273 13.360 -1.835 660 2HH2 ARG 917 1HH1 ARG 917 -12.978 13.468 -3.433 661 H LEU 918 H LEU 918 -3.634 9.245 -3.123 662 HA LEU 918 HA LEU 918 -2.864 8.071 -0.826 663 1HB LEU 918 1HB LEU 918 -1.369 9.850 -2.744 664 2HB LEU 918 2HB LEU 918 -0.538 9.209 -1.307 665 HG LEU 918 HG LEU 918 -0.238 7.268 -2.413 666 1HD1 LEU 918 1HD1 LEU 918 -3.280 7.295 -2.371 667 2HD1 LEU 918 2HD1 LEU 918 -2.332 5.897 -2.932 668 3HD1 LEU 918 3HD1 LEU 918 -2.179 6.458 -1.250 669 1HD2 LEU 918 1HD2 LEU 918 -0.302 8.381 -4.536 670 2HD2 LEU 918 2HD2 LEU 918 -1.340 6.944 -4.704 671 3HD2 LEU 918 3HD2 LEU 918 -2.073 8.549 -4.471 672 H VAL 919 H VAL 919 -2.807 8.568 1.280 673 HA VAL 919 HA VAL 919 -2.977 11.422 2.041 674 HB VAL 919 HB VAL 919 -4.023 10.705 3.972 675 1HG1 VAL 919 1HG1 VAL 919 -4.743 9.348 1.595 676 2HG1 VAL 919 2HG1 VAL 919 -4.782 8.118 2.881 677 3HG1 VAL 919 3HG1 VAL 919 -5.754 9.600 3.038 678 1HG2 VAL 919 1HG2 VAL 919 -2.696 7.978 3.698 679 2HG2 VAL 919 2HG2 VAL 919 -2.002 9.321 4.637 680 3HG2 VAL 919 3HG2 VAL 919 -3.568 8.619 5.110 681 H ALA 920 H ALA 920 -1.918 11.314 4.602 682 HA ALA 920 HA ALA 920 0.880 11.571 4.051 683 1HB ALA 920 1HB ALA 920 0.812 11.584 6.729 684 2HB ALA 920 2HB ALA 920 0.237 12.965 5.765 685 3HB ALA 920 3HB ALA 920 -0.929 11.794 6.426 686 HA PRO 921 HA PRO 921 1.722 7.198 4.510 687 1HB PRO 921 1HB PRO 921 4.312 7.296 3.670 688 2HB PRO 921 2HB PRO 921 2.941 7.517 2.535 689 1HG PRO 921 1HG PRO 921 4.552 9.684 3.914 690 2HG PRO 921 2HG PRO 921 4.205 9.536 2.161 691 1HD PRO 921 1HD PRO 921 2.684 11.112 3.782 692 2HD PRO 921 2HD PRO 921 1.920 10.130 2.495 693 H CYS 922 H CYS 922 2.292 6.187 6.362 694 HA CYS 922 HA CYS 922 3.706 5.692 8.174 695 1HB CYS 922 1HB CYS 922 5.375 7.359 7.053 696 2HB CYS 922 2HB CYS 922 4.704 8.547 8.199 697 HG CYS 922 HG CYS 922 4.969 5.944 9.799 Start of MODEL 13 1 H GLY 835 H GLY 835 -12.306 -3.366 12.826 2 1HA GLY 835 1HA GLY 835 -14.823 -3.052 11.257 3 2HA GLY 835 2HA GLY 835 -14.325 -2.016 12.614 4 H SER 836 H SER 836 -12.892 -3.209 9.515 5 HA SER 836 HA SER 836 -12.586 -0.482 8.549 6 1HB SER 836 1HB SER 836 -10.228 -2.096 9.552 7 2HB SER 836 2HB SER 836 -10.042 -0.858 8.286 8 HG SER 836 HG SER 836 -10.173 0.590 9.777 9 H ALA 837 H ALA 837 -10.262 -2.986 7.730 10 HA ALA 837 HA ALA 837 -10.587 -3.013 5.037 11 1HB ALA 837 1HB ALA 837 -10.332 -5.635 6.524 12 2HB ALA 837 2HB ALA 837 -9.530 -5.116 5.022 13 3HB ALA 837 3HB ALA 837 -9.035 -4.416 6.582 14 H ASP 838 H ASP 838 -12.287 -5.404 7.149 15 HA ASP 838 HA ASP 838 -13.962 -6.541 5.301 16 1HB ASP 838 1HB ASP 838 -15.415 -7.087 7.121 17 2HB ASP 838 2HB ASP 838 -13.767 -7.034 7.782 18 H GLU 839 H GLU 839 -14.349 -3.363 6.900 19 HA GLU 839 HA GLU 839 -16.924 -2.870 5.658 20 1HB GLU 839 1HB GLU 839 -15.185 -1.640 7.635 21 2HB GLU 839 2HB GLU 839 -15.772 -0.429 6.470 22 1HG GLU 839 1HG GLU 839 -17.845 -2.349 7.302 23 2HG GLU 839 2HG GLU 839 -17.191 -1.398 8.653 24 H THR 840 H THR 840 -13.514 -2.197 4.942 25 HA THR 840 HA THR 840 -14.265 -0.483 2.667 26 HB THR 840 HB THR 840 -11.552 -1.400 3.700 27 HG1 THR 840 1HG THR 840 -12.806 -0.037 5.101 28 1HG2 THR 840 1HG2 THR 840 -12.213 0.923 1.854 29 2HG2 THR 840 2HG2 THR 840 -10.615 0.229 2.219 30 3HG2 THR 840 3HG2 THR 840 -11.783 -0.692 1.240 31 H LEU 841 H LEU 841 -12.062 -3.313 3.094 32 HA LEU 841 HA LEU 841 -11.976 -4.010 0.372 33 1HB LEU 841 1HB LEU 841 -10.439 -4.852 2.137 34 2HB LEU 841 2HB LEU 841 -11.766 -5.837 2.797 35 HG LEU 841 HG LEU 841 -10.944 -7.437 1.387 36 1HD1 LEU 841 1HD1 LEU 841 -11.913 -7.251 -0.940 37 2HD1 LEU 841 2HD1 LEU 841 -13.088 -6.941 0.361 38 3HD1 LEU 841 3HD1 LEU 841 -12.389 -5.580 -0.549 39 1HD2 LEU 841 1HD2 LEU 841 -8.934 -6.725 0.578 40 2HD2 LEU 841 2HD2 LEU 841 -9.852 -6.399 -0.911 41 3HD2 LEU 841 3HD2 LEU 841 -9.539 -5.084 0.248 42 H CYS 842 H CYS 842 -14.640 -3.988 2.417 43 HA CYS 842 HA CYS 842 -16.033 -6.344 1.895 44 1HB CYS 842 1HB CYS 842 -16.562 -3.873 3.075 45 2HB CYS 842 2HB CYS 842 -17.719 -3.950 1.723 46 HG CYS 842 HG CYS 842 -19.262 -5.339 2.804 47 H GLN 843 H GLN 843 -14.835 -4.103 -0.354 48 HA GLN 843 HA GLN 843 -16.825 -5.001 -2.386 49 1HB GLN 843 1HB GLN 843 -15.038 -2.605 -2.754 50 2HB GLN 843 2HB GLN 843 -16.648 -2.935 -3.439 51 1HG GLN 843 1HG GLN 843 -16.890 -2.928 -0.584 52 2HG GLN 843 2HG GLN 843 -15.979 -1.476 -1.055 53 1HE2 GLN 843 1HE2 GLN 843 -17.098 0.261 -1.777 54 2HE2 GLN 843 2HE2 GLN 843 -18.774 0.240 -2.281 55 H THR 844 H THR 844 -14.770 -6.743 -1.662 56 HA THR 844 HA THR 844 -12.889 -7.820 -2.449 57 HB THR 844 HB THR 844 -14.824 -7.393 -4.580 58 HG1 THR 844 1HG THR 844 -14.748 -9.432 -4.145 59 1HG2 THR 844 1HG2 THR 844 -11.880 -7.354 -5.241 60 2HG2 THR 844 2HG2 THR 844 -13.008 -8.204 -6.324 61 3HG2 THR 844 3HG2 THR 844 -13.220 -6.466 -6.005 62 H LYS 845 H LYS 845 -11.208 -6.487 -1.719 63 HA LYS 845 HA LYS 845 -9.502 -4.953 -1.868 64 1HB LYS 845 1HB LYS 845 -9.642 -6.010 -4.716 65 2HB LYS 845 2HB LYS 845 -8.300 -5.027 -4.083 66 1HG LYS 845 1HG LYS 845 -7.757 -7.424 -3.915 67 2HG LYS 845 2HG LYS 845 -7.931 -6.715 -2.292 68 1HD LYS 845 1HD LYS 845 -10.529 -7.557 -3.092 69 2HD LYS 845 2HD LYS 845 -9.418 -8.888 -3.492 70 1HE LYS 845 1HE LYS 845 -8.586 -7.922 -0.967 71 2HE LYS 845 2HE LYS 845 -10.360 -7.997 -0.891 72 1HZ LYS 845 1HZ LYS 845 -8.483 -10.159 -1.483 73 2HZ LYS 845 2HZ LYS 845 -9.602 -10.072 -0.275 74 3HZ LYS 845 3HZ LYS 845 -10.089 -10.275 -1.838 75 H VAL 846 H VAL 846 -12.437 -4.412 -3.384 76 HA VAL 846 HA VAL 846 -13.250 -2.621 -4.677 77 HB VAL 846 HB VAL 846 -13.868 -1.101 -3.099 78 1HG1 VAL 846 1HG1 VAL 846 -14.025 -2.190 -1.094 79 2HG1 VAL 846 2HG1 VAL 846 -13.254 -3.522 -1.987 80 3HG1 VAL 846 3HG1 VAL 846 -12.267 -2.438 -0.978 81 1HG2 VAL 846 1HG2 VAL 846 -11.938 -0.305 -1.404 82 2HG2 VAL 846 2HG2 VAL 846 -10.901 -0.845 -2.746 83 3HG2 VAL 846 3HG2 VAL 846 -12.127 0.416 -3.021 84 H LEU 847 H LEU 847 -10.054 -1.715 -3.264 85 HA LEU 847 HA LEU 847 -8.211 -0.806 -4.304 86 1HB LEU 847 1HB LEU 847 -9.790 -0.735 -6.893 87 2HB LEU 847 2HB LEU 847 -8.024 -0.776 -6.678 88 HG LEU 847 HG LEU 847 -8.771 -3.005 -7.303 89 1HD1 LEU 847 1HD1 LEU 847 -7.744 -4.226 -5.566 90 2HD1 LEU 847 2HD1 LEU 847 -7.080 -2.588 -5.354 91 3HD1 LEU 847 3HD1 LEU 847 -8.398 -3.157 -4.302 92 1HD2 LEU 847 1HD2 LEU 847 -10.548 -2.996 -4.837 93 2HD2 LEU 847 2HD2 LEU 847 -11.154 -2.560 -6.453 94 3HD2 LEU 847 3HD2 LEU 847 -10.504 -4.190 -6.156 95 H LEU 848 H LEU 848 -9.399 0.945 -6.853 96 HA LEU 848 HA LEU 848 -10.407 3.061 -7.021 97 1HB LEU 848 1HB LEU 848 -10.521 2.623 -4.090 98 2HB LEU 848 2HB LEU 848 -10.351 4.322 -4.594 99 HG LEU 848 HG LEU 848 -12.412 2.417 -5.776 100 1HD1 LEU 848 1HD1 LEU 848 -12.356 3.519 -3.164 101 2HD1 LEU 848 2HD1 LEU 848 -13.487 4.528 -4.096 102 3HD1 LEU 848 3HD1 LEU 848 -13.744 2.770 -3.990 103 1HD2 LEU 848 1HD2 LEU 848 -12.226 4.164 -7.291 104 2HD2 LEU 848 2HD2 LEU 848 -13.412 4.864 -6.163 105 3HD2 LEU 848 3HD2 LEU 848 -11.696 5.324 -6.050 106 H ASP 849 H ASP 849 -9.550 5.372 -6.685 107 HA ASP 849 HA ASP 849 -6.709 5.317 -7.189 108 1HB ASP 849 1HB ASP 849 -8.693 7.589 -6.804 109 2HB ASP 849 2HB ASP 849 -7.008 7.798 -7.329 110 H ILE 850 H ILE 850 -6.892 4.145 -4.767 111 HA ILE 850 HA ILE 850 -6.749 6.007 -2.573 112 HB ILE 850 HB ILE 850 -5.997 3.092 -2.948 113 1HG1 ILE 850 1HG1 ILE 850 -7.962 2.690 -1.614 114 2HG1 ILE 850 2HG1 ILE 850 -8.112 4.416 -1.207 115 1HG2 ILE 850 1HG2 ILE 850 -4.463 3.867 -1.284 116 2HG2 ILE 850 2HG2 ILE 850 -5.691 4.919 -0.540 117 3HG2 ILE 850 3HG2 ILE 850 -5.822 3.151 -0.385 118 1HD1 ILE 850 1HD1 ILE 850 -9.712 3.712 -2.995 119 2HD1 ILE 850 2HD1 ILE 850 -8.573 4.962 -3.553 120 3HD1 ILE 850 3HD1 ILE 850 -8.329 3.262 -4.020 121 H PHE 851 H PHE 851 -4.151 3.733 -3.558 122 HA PHE 851 HA PHE 851 -2.162 5.742 -2.782 123 1HB PHE 851 1HB PHE 851 -1.563 3.056 -4.004 124 2HB PHE 851 2HB PHE 851 -0.628 3.981 -2.817 125 HD1 PHE 851 1HD PHE 851 -3.644 1.869 -3.301 126 HD2 PHE 851 2HD PHE 851 -1.024 3.759 -0.471 127 HE1 PHE 851 1HE PHE 851 -4.687 0.566 -1.466 128 HE2 PHE 851 2HE PHE 851 -2.066 2.457 1.365 129 HZ PHE 851 HZ PHE 851 -3.897 0.860 0.867 130 H THR 852 H THR 852 -3.840 6.378 -5.077 131 HA THR 852 HA THR 852 -3.100 5.919 -7.591 132 HB THR 852 HB THR 852 -4.298 8.027 -6.317 133 HG1 THR 852 1HG THR 852 -4.958 7.583 -8.305 134 1HG2 THR 852 1HG2 THR 852 -1.717 9.019 -7.599 135 2HG2 THR 852 2HG2 THR 852 -3.086 10.064 -7.153 136 3HG2 THR 852 3HG2 THR 852 -2.190 9.184 -5.891 137 H GLY 853 H GLY 853 -1.176 5.309 -8.401 138 1HA GLY 853 1HA GLY 853 1.099 5.248 -8.767 139 2HA GLY 853 2HA GLY 853 0.941 7.016 -8.878 140 H VAL 854 H VAL 854 1.245 4.347 -6.480 141 HA VAL 854 HA VAL 854 2.896 6.198 -4.825 142 HB VAL 854 HB VAL 854 0.651 4.335 -4.090 143 1HG1 VAL 854 1HG1 VAL 854 2.260 3.333 -2.715 144 2HG1 VAL 854 2HG1 VAL 854 3.200 4.836 -2.549 145 3HG1 VAL 854 3HG1 VAL 854 1.662 4.646 -1.672 146 1HG2 VAL 854 1HG2 VAL 854 0.261 6.759 -4.204 147 2HG2 VAL 854 2HG2 VAL 854 0.185 6.210 -2.512 148 3HG2 VAL 854 3HG2 VAL 854 1.636 7.050 -3.111 149 H ARG 855 H ARG 855 4.691 5.263 -3.761 150 HA ARG 855 HA ARG 855 5.524 2.665 -4.951 151 1HB ARG 855 1HB ARG 855 7.024 5.107 -3.974 152 2HB ARG 855 2HB ARG 855 7.834 3.534 -4.165 153 1HG ARG 855 1HG ARG 855 6.341 5.091 -6.318 154 2HG ARG 855 2HG ARG 855 8.097 4.815 -6.227 155 1HD ARG 855 1HD ARG 855 7.876 2.834 -7.266 156 2HD ARG 855 2HD ARG 855 6.728 2.284 -6.026 157 HE ARG 855 HE ARG 855 5.076 3.754 -7.500 158 1HH1 ARG 855 2HH2 ARG 855 7.668 1.579 -8.528 159 2HH1 ARG 855 1HH2 ARG 855 6.896 1.151 -10.038 160 1HH2 ARG 855 2HH1 ARG 855 4.057 3.189 -9.496 161 2HH2 ARG 855 1HH1 ARG 855 4.837 2.069 -10.590 162 H LEU 856 H LEU 856 3.746 2.331 -2.937 163 HA LEU 856 HA LEU 856 5.074 2.202 -0.354 164 1HB LEU 856 1HB LEU 856 2.788 2.542 -0.129 165 2HB LEU 856 2HB LEU 856 2.386 1.465 -1.489 166 HG LEU 856 HG LEU 856 2.152 -0.286 -0.088 167 1HD1 LEU 856 1HD1 LEU 856 4.090 -0.811 1.559 168 2HD1 LEU 856 2HD1 LEU 856 4.449 -0.861 -0.183 169 3HD1 LEU 856 3HD1 LEU 856 4.932 0.553 0.785 170 1HD2 LEU 856 1HD2 LEU 856 1.954 2.026 1.523 171 2HD2 LEU 856 2HD2 LEU 856 1.334 0.400 1.901 172 3HD2 LEU 856 3HD2 LEU 856 2.955 0.886 2.455 173 H TYR 857 H TYR 857 6.561 0.702 0.123 174 HA TYR 857 HA TYR 857 6.745 -1.747 -1.447 175 1HB TYR 857 1HB TYR 857 8.865 -1.183 -0.917 176 2HB TYR 857 2HB TYR 857 8.367 -0.237 0.495 177 HD1 TYR 857 1HD TYR 857 9.868 -0.978 2.153 178 HD2 TYR 857 2HD TYR 857 7.682 -3.846 -0.182 179 HE1 TYR 857 1HE TYR 857 10.653 -2.795 3.648 180 HE2 TYR 857 2HE TYR 857 8.467 -5.662 1.313 181 HH TYR 857 HH TYR 857 10.381 -5.020 4.238 182 H LEU 858 H LEU 858 4.859 -2.929 -1.012 183 HA LEU 858 HA LEU 858 3.982 -3.439 1.690 184 1HB LEU 858 1HB LEU 858 2.566 -3.465 -0.430 185 2HB LEU 858 2HB LEU 858 3.326 -5.029 -0.812 186 HG LEU 858 HG LEU 858 2.069 -6.124 0.722 187 1HD1 LEU 858 1HD1 LEU 858 1.713 -5.170 3.050 188 2HD1 LEU 858 2HD1 LEU 858 3.418 -5.368 2.577 189 3HD1 LEU 858 3HD1 LEU 858 2.665 -3.755 2.539 190 1HD2 LEU 858 1HD2 LEU 858 -0.072 -5.265 0.954 191 2HD2 LEU 858 2HD2 LEU 858 0.512 -3.637 1.374 192 3HD2 LEU 858 3HD2 LEU 858 0.549 -4.186 -0.319 193 HA PRO 859 HA PRO 859 7.180 -6.525 2.316 194 1HB PRO 859 1HB PRO 859 6.812 -6.790 5.002 195 2HB PRO 859 2HB PRO 859 7.568 -5.327 4.291 196 1HG PRO 859 1HG PRO 859 4.659 -5.706 5.057 197 2HG PRO 859 2HG PRO 859 5.747 -4.367 5.546 198 1HD PRO 859 1HD PRO 859 4.056 -4.119 3.423 199 2HD PRO 859 2HD PRO 859 5.713 -3.446 3.347 200 HA PRO 860 HA PRO 860 4.618 -10.114 2.101 201 1HB PRO 860 1HB PRO 860 6.457 -12.057 2.617 202 2HB PRO 860 2HB PRO 860 6.540 -11.047 1.138 203 1HG PRO 860 1HG PRO 860 8.022 -10.611 3.746 204 2HG PRO 860 2HG PRO 860 8.721 -10.677 2.096 205 1HD PRO 860 1HD PRO 860 8.096 -8.303 3.281 206 2HD PRO 860 2HD PRO 860 7.774 -8.560 1.539 207 H SER 861 H SER 861 6.365 -9.109 4.954 208 HA SER 861 HA SER 861 5.202 -11.159 6.678 209 1HB SER 861 1HB SER 861 7.324 -9.221 6.801 210 2HB SER 861 2HB SER 861 6.219 -8.949 8.170 211 HG SER 861 HG SER 861 7.954 -10.984 7.722 212 H THR 862 H THR 862 4.148 -8.256 5.238 213 HA THR 862 HA THR 862 2.485 -7.326 7.423 214 HB THR 862 HB THR 862 3.088 -6.578 4.622 215 HG1 THR 862 1HG THR 862 2.929 -4.537 5.622 216 1HG2 THR 862 1HG2 THR 862 0.403 -5.840 5.857 217 2HG2 THR 862 2HG2 THR 862 1.021 -5.365 4.257 218 3HG2 THR 862 3HG2 THR 862 0.604 -7.064 4.580 219 HA PRO 863 HA PRO 863 -0.867 -10.123 6.849 220 1HB PRO 863 1HB PRO 863 -2.816 -8.772 8.190 221 2HB PRO 863 2HB PRO 863 -1.384 -9.449 9.032 222 1HG PRO 863 1HG PRO 863 -1.759 -6.610 8.034 223 2HG PRO 863 2HG PRO 863 -1.273 -7.129 9.681 224 1HD PRO 863 1HD PRO 863 0.577 -6.415 7.811 225 2HD PRO 863 2HD PRO 863 0.881 -7.798 8.906 226 H ASP 864 H ASP 864 -2.949 -10.264 5.744 227 HA ASP 864 HA ASP 864 -4.347 -9.812 3.989 228 1HB ASP 864 1HB ASP 864 -3.912 -7.175 5.305 229 2HB ASP 864 2HB ASP 864 -4.584 -7.134 3.661 230 H PHE 865 H PHE 865 -1.164 -9.528 3.885 231 HA PHE 865 HA PHE 865 -0.320 -7.881 1.870 232 1HB PHE 865 1HB PHE 865 0.911 -9.725 3.208 233 2HB PHE 865 2HB PHE 865 0.421 -10.810 1.896 234 HD1 PHE 865 1HD PHE 865 2.195 -11.270 0.490 235 HD2 PHE 865 2HD PHE 865 1.724 -7.280 2.009 236 HE1 PHE 865 1HE PHE 865 4.147 -10.530 -0.848 237 HE2 PHE 865 2HE PHE 865 3.676 -6.540 0.670 238 HZ PHE 865 HZ PHE 865 4.888 -8.165 -0.758 239 H SER 866 H SER 866 -1.772 -11.151 1.380 240 HA SER 866 HA SER 866 -1.793 -11.545 -1.243 241 1HB SER 866 1HB SER 866 -3.673 -12.049 0.892 242 2HB SER 866 2HB SER 866 -4.557 -11.702 -0.613 243 HG SER 866 HG SER 866 -3.057 -13.864 0.066 244 H ARG 867 H ARG 867 -4.315 -9.390 0.190 245 HA ARG 867 HA ARG 867 -4.883 -8.246 -2.424 246 1HB ARG 867 1HB ARG 867 -5.825 -7.107 0.207 247 2HB ARG 867 2HB ARG 867 -6.672 -7.187 -1.356 248 1HG ARG 867 1HG ARG 867 -7.742 -8.925 -0.271 249 2HG ARG 867 2HG ARG 867 -6.364 -9.823 -0.951 250 1HD ARG 867 1HD ARG 867 -5.699 -10.370 1.124 251 2HD ARG 867 2HD ARG 867 -5.503 -8.647 1.510 252 HE ARG 867 HE ARG 867 -8.137 -8.891 1.879 253 1HH1 ARG 867 2HH2 ARG 867 -5.496 -11.057 2.793 254 2HH1 ARG 867 1HH2 ARG 867 -6.320 -11.689 4.202 255 1HH2 ARG 867 2HH1 ARG 867 -9.225 -9.726 3.740 256 2HH2 ARG 867 1HH1 ARG 867 -8.445 -10.930 4.741 257 H LEU 868 H LEU 868 -3.645 -6.943 0.712 258 HA LEU 868 HA LEU 868 -3.076 -4.395 0.250 259 1HB LEU 868 1HB LEU 868 -1.183 -6.528 1.285 260 2HB LEU 868 2HB LEU 868 -0.785 -4.793 1.331 261 HG LEU 868 HG LEU 868 -2.855 -6.327 2.866 262 1HD1 LEU 868 1HD1 LEU 868 -1.292 -5.642 4.375 263 2HD1 LEU 868 2HD1 LEU 868 -0.671 -4.371 3.295 264 3HD1 LEU 868 3HD1 LEU 868 -2.127 -4.073 4.274 265 1HD2 LEU 868 1HD2 LEU 868 -4.171 -4.737 1.462 266 2HD2 LEU 868 2HD2 LEU 868 -4.218 -4.310 3.189 267 3HD2 LEU 868 3HD2 LEU 868 -3.170 -3.399 2.076 268 H ARG 869 H ARG 869 -1.127 -7.059 -1.189 269 HA ARG 869 HA ARG 869 0.460 -5.204 -2.760 270 1HB ARG 869 1HB ARG 869 1.205 -7.474 -1.876 271 2HB ARG 869 2HB ARG 869 0.164 -8.205 -3.121 272 1HG ARG 869 1HG ARG 869 1.482 -7.423 -4.877 273 2HG ARG 869 2HG ARG 869 2.119 -6.058 -3.928 274 1HD ARG 869 1HD ARG 869 3.689 -8.088 -4.411 275 2HD ARG 869 2HD ARG 869 3.648 -7.413 -2.768 276 HE ARG 869 HE ARG 869 2.470 -9.319 -2.011 277 1HH1 ARG 869 2HH2 ARG 869 3.136 -9.389 -5.483 278 2HH1 ARG 869 1HH2 ARG 869 2.789 -11.095 -5.654 279 1HH2 ARG 869 2HH1 ARG 869 2.012 -11.572 -2.237 280 2HH2 ARG 869 1HH1 ARG 869 2.148 -12.340 -3.803 281 H ARG 870 H ARG 870 -1.091 -8.058 -4.184 282 HA ARG 870 HA ARG 870 -1.560 -7.248 -6.679 283 1HB ARG 870 1HB ARG 870 -2.436 -9.338 -5.317 284 2HB ARG 870 2HB ARG 870 -3.943 -8.394 -5.240 285 1HG ARG 870 1HG ARG 870 -4.202 -9.625 -7.230 286 2HG ARG 870 2HG ARG 870 -3.579 -8.063 -7.813 287 1HD ARG 870 1HD ARG 870 -2.392 -9.979 -8.857 288 2HD ARG 870 2HD ARG 870 -1.300 -8.971 -7.883 289 HE ARG 870 HE ARG 870 -1.050 -10.718 -6.350 290 1HH1 ARG 870 2HH2 ARG 870 -3.560 -11.428 -8.736 291 2HH1 ARG 870 1HH2 ARG 870 -3.689 -13.118 -8.300 292 1HH2 ARG 870 2HH1 ARG 870 -1.220 -12.950 -5.774 293 2HH2 ARG 870 1HH1 ARG 870 -2.354 -13.985 -6.611 294 H TYR 871 H TYR 871 -3.491 -6.172 -3.862 295 HA TYR 871 HA TYR 871 -5.357 -4.634 -5.399 296 1HB TYR 871 1HB TYR 871 -5.548 -5.496 -2.994 297 2HB TYR 871 2HB TYR 871 -4.511 -4.134 -2.535 298 HD1 TYR 871 1HD TYR 871 -7.264 -4.526 -1.442 299 HD2 TYR 871 2HD TYR 871 -5.900 -2.452 -4.947 300 HE1 TYR 871 1HE TYR 871 -9.251 -3.046 -1.339 301 HE2 TYR 871 2HE TYR 871 -7.887 -0.971 -4.845 302 HH TYR 871 HH TYR 871 -9.707 -0.320 -3.583 303 H PHE 872 H PHE 872 -2.859 -3.395 -3.110 304 HA PHE 872 HA PHE 872 -2.776 -0.783 -3.806 305 1HB PHE 872 1HB PHE 872 -1.299 -2.055 -2.177 306 2HB PHE 872 2HB PHE 872 -0.260 -2.454 -3.555 307 HD1 PHE 872 1HD PHE 872 -0.337 -0.434 -0.842 308 HD2 PHE 872 2HD PHE 872 0.010 -0.093 -5.110 309 HE1 PHE 872 1HE PHE 872 0.845 1.729 -0.573 310 HE2 PHE 872 2HE PHE 872 1.191 2.071 -4.841 311 HZ PHE 872 HZ PHE 872 1.609 2.982 -2.572 312 H VAL 873 H VAL 873 -0.100 -2.662 -5.213 313 HA VAL 873 HA VAL 873 0.522 -1.126 -7.335 314 HB VAL 873 HB VAL 873 1.848 -2.988 -7.297 315 1HG1 VAL 873 1HG1 VAL 873 0.459 -5.338 -7.171 316 2HG1 VAL 873 2HG1 VAL 873 1.016 -4.442 -5.738 317 3HG1 VAL 873 3HG1 VAL 873 -0.659 -4.254 -6.309 318 1HG2 VAL 873 1HG2 VAL 873 1.304 -4.524 -9.167 319 2HG2 VAL 873 2HG2 VAL 873 -0.362 -3.897 -9.193 320 3HG2 VAL 873 3HG2 VAL 873 0.999 -2.828 -9.613 321 H ALA 874 H ALA 874 -2.371 -3.166 -7.055 322 HA ALA 874 HA ALA 874 -3.194 -3.040 -9.769 323 1HB ALA 874 1HB ALA 874 -4.385 -3.705 -7.131 324 2HB ALA 874 2HB ALA 874 -5.539 -3.185 -8.382 325 3HB ALA 874 3HB ALA 874 -4.472 -4.578 -8.680 326 H PHE 875 H PHE 875 -4.553 -1.196 -6.973 327 HA PHE 875 HA PHE 875 -6.185 0.583 -8.002 328 1HB PHE 875 1HB PHE 875 -3.733 1.388 -6.402 329 2HB PHE 875 2HB PHE 875 -5.205 2.358 -6.582 330 HD1 PHE 875 1HD PHE 875 -7.082 2.001 -5.192 331 HD2 PHE 875 2HD PHE 875 -3.886 -0.868 -5.250 332 HE1 PHE 875 1HE PHE 875 -8.078 0.851 -3.233 333 HE2 PHE 875 2HE PHE 875 -4.882 -2.018 -3.291 334 HZ PHE 875 HZ PHE 875 -6.978 -1.158 -2.283 335 H ASP 876 H ASP 876 -2.636 0.816 -8.542 336 HA ASP 876 HA ASP 876 -2.401 1.407 -11.104 337 1HB ASP 876 1HB ASP 876 -3.955 3.602 -9.827 338 2HB ASP 876 2HB ASP 876 -2.661 4.102 -10.937 339 H GLY 877 H GLY 877 -1.357 1.495 -8.025 340 1HA GLY 877 1HA GLY 877 0.877 3.378 -8.421 341 2HA GLY 877 2HA GLY 877 0.486 2.474 -6.940 342 H ASP 878 H ASP 878 2.500 1.542 -6.591 343 HA ASP 878 HA ASP 878 3.095 -0.797 -8.195 344 1HB ASP 878 1HB ASP 878 5.515 0.842 -8.084 345 2HB ASP 878 2HB ASP 878 4.809 -0.054 -9.447 346 H LEU 879 H LEU 879 4.637 -2.177 -7.156 347 HA LEU 879 HA LEU 879 5.393 -1.292 -4.414 348 1HB LEU 879 1HB LEU 879 4.504 -4.101 -5.136 349 2HB LEU 879 2HB LEU 879 4.719 -3.393 -3.517 350 HG LEU 879 HG LEU 879 2.546 -2.836 -5.557 351 1HD1 LEU 879 1HD1 LEU 879 1.212 -3.888 -4.056 352 2HD1 LEU 879 2HD1 LEU 879 2.718 -4.462 -3.301 353 3HD1 LEU 879 3HD1 LEU 879 1.918 -2.996 -2.686 354 1HD2 LEU 879 1HD2 LEU 879 2.607 -0.651 -4.985 355 2HD2 LEU 879 2HD2 LEU 879 2.139 -1.149 -3.342 356 3HD2 LEU 879 3HD2 LEU 879 3.859 -0.947 -3.755 357 H VAL 880 H VAL 880 7.512 -1.510 -3.994 358 HA VAL 880 HA VAL 880 9.125 -3.101 -5.914 359 HB VAL 880 HB VAL 880 10.575 -1.449 -3.977 360 1HG1 VAL 880 1HG1 VAL 880 11.808 -0.860 -5.896 361 2HG1 VAL 880 2HG1 VAL 880 11.234 -2.500 -6.281 362 3HG1 VAL 880 3HG1 VAL 880 10.412 -1.083 -6.977 363 1HG2 VAL 880 1HG2 VAL 880 9.705 0.617 -5.512 364 2HG2 VAL 880 2HG2 VAL 880 8.207 -0.339 -5.415 365 3HG2 VAL 880 3HG2 VAL 880 9.003 0.222 -3.925 366 H GLN 881 H GLN 881 10.401 -4.789 -5.246 367 HA GLN 881 HA GLN 881 9.697 -6.113 -2.818 368 1HB GLN 881 1HB GLN 881 12.157 -6.548 -4.553 369 2HB GLN 881 2HB GLN 881 11.379 -7.724 -3.466 370 1HG GLN 881 1HG GLN 881 9.831 -8.271 -5.016 371 2HG GLN 881 2HG GLN 881 9.482 -6.566 -5.372 372 1HE2 GLN 881 1HE2 GLN 881 11.476 -9.376 -6.192 373 2HE2 GLN 881 2HE2 GLN 881 12.092 -8.750 -7.706 374 H GLU 882 H GLU 882 10.534 -6.010 -0.799 375 HA GLU 882 HA GLU 882 11.798 -4.003 0.367 376 1HB GLU 882 1HB GLU 882 11.213 -6.101 1.522 377 2HB GLU 882 2HB GLU 882 12.614 -6.907 0.778 378 1HG GLU 882 1HG GLU 882 13.906 -4.813 1.825 379 2HG GLU 882 2HG GLU 882 12.522 -4.825 2.941 380 H PHE 883 H PHE 883 13.887 -6.717 -0.772 381 HA PHE 883 HA PHE 883 16.250 -5.116 -0.741 382 1HB PHE 883 1HB PHE 883 17.305 -7.012 -1.737 383 2HB PHE 883 2HB PHE 883 16.101 -7.623 -0.589 384 HD1 PHE 883 1HD PHE 883 17.021 -7.301 -4.137 385 HD2 PHE 883 2HD PHE 883 14.077 -8.752 -1.365 386 HE1 PHE 883 1HE PHE 883 15.998 -8.665 -5.937 387 HE2 PHE 883 2HE PHE 883 13.054 -10.116 -3.166 388 HZ PHE 883 HZ PHE 883 14.015 -10.073 -5.452 389 H ASP 884 H ASP 884 13.749 -4.279 -2.409 390 HA ASP 884 HA ASP 884 15.341 -3.312 -4.686 391 1HB ASP 884 1HB ASP 884 12.811 -4.972 -4.975 392 2HB ASP 884 2HB ASP 884 13.536 -4.011 -6.283 393 H MET 885 H MET 885 15.128 -1.204 -3.978 394 HA MET 885 HA MET 885 12.437 -0.055 -4.293 395 1HB MET 885 1HB MET 885 13.228 1.280 -2.050 396 2HB MET 885 2HB MET 885 12.141 -0.130 -2.036 397 1HG MET 885 1HG MET 885 14.309 -1.541 -1.951 398 2HG MET 885 2HG MET 885 15.119 -0.029 -1.509 399 1HE MET 885 1HE MET 885 11.403 -1.472 0.037 400 2HE MET 885 2HE MET 885 12.470 -2.501 -0.947 401 3HE MET 885 3HE MET 885 12.375 -2.745 0.813 402 H THR 886 H THR 886 15.945 0.302 -3.794 403 HA THR 886 HA THR 886 16.787 2.712 -3.924 404 HB THR 886 HB THR 886 18.332 2.247 -5.665 405 HG1 THR 886 1HG THR 886 17.838 0.793 -7.310 406 1HG2 THR 886 1HG2 THR 886 18.125 0.567 -3.690 407 2HG2 THR 886 2HG2 THR 886 17.421 -0.540 -4.893 408 3HG2 THR 886 3HG2 THR 886 19.079 0.070 -5.109 409 H SER 887 H SER 887 14.908 1.510 -6.761 410 HA SER 887 HA SER 887 14.498 4.308 -7.613 411 1HB SER 887 1HB SER 887 14.492 1.640 -8.869 412 2HB SER 887 2HB SER 887 13.151 2.685 -9.397 413 HG SER 887 HG SER 887 14.523 3.975 -10.337 414 H ALA 888 H ALA 888 13.015 1.927 -5.679 415 HA ALA 888 HA ALA 888 10.291 2.170 -6.256 416 1HB ALA 888 1HB ALA 888 11.107 0.562 -4.646 417 2HB ALA 888 2HB ALA 888 11.748 1.856 -3.605 418 3HB ALA 888 3HB ALA 888 9.990 1.663 -3.804 419 H THR 889 H THR 889 9.402 3.205 -3.596 420 HA THR 889 HA THR 889 10.139 5.972 -3.411 421 HB THR 889 HB THR 889 8.603 5.562 -5.601 422 HG1 THR 889 1HG THR 889 7.898 7.765 -5.179 423 1HG2 THR 889 1HG2 THR 889 6.832 4.654 -3.878 424 2HG2 THR 889 2HG2 THR 889 6.554 6.378 -3.536 425 3HG2 THR 889 3HG2 THR 889 6.303 5.746 -5.181 426 H HIS 890 H HIS 890 7.674 3.431 -2.916 427 HA HIS 890 HA HIS 890 7.179 4.603 -0.218 428 1HB HIS 890 1HB HIS 890 5.379 3.255 -2.224 429 2HB HIS 890 2HB HIS 890 4.997 3.184 -0.494 430 HD1 HIS 890 1HD HIS 890 5.022 5.621 -3.419 431 HD2 HIS 890 2HD HIS 890 4.349 5.525 0.735 432 HE1 HIS 890 1HE HIS 890 3.895 7.833 -2.805 433 H VAL 891 H VAL 891 7.131 3.196 1.553 434 HA VAL 891 HA VAL 891 7.703 0.344 1.054 435 HB VAL 891 HB VAL 891 9.613 0.457 2.687 436 1HG1 VAL 891 1HG1 VAL 891 11.130 1.767 0.984 437 2HG1 VAL 891 2HG1 VAL 891 10.315 0.276 0.456 438 3HG1 VAL 891 3HG1 VAL 891 9.642 1.863 0.012 439 1HG2 VAL 891 1HG2 VAL 891 10.603 2.614 3.203 440 2HG2 VAL 891 2HG2 VAL 891 9.422 3.453 2.168 441 3HG2 VAL 891 3HG2 VAL 891 8.886 2.666 3.672 442 H LEU 892 H LEU 892 6.363 -0.798 2.311 443 HA LEU 892 HA LEU 892 4.888 0.487 4.444 444 1HB LEU 892 1HB LEU 892 4.530 -1.714 2.767 445 2HB LEU 892 2HB LEU 892 4.797 -2.440 4.370 446 HG LEU 892 HG LEU 892 3.061 -0.082 4.507 447 1HD1 LEU 892 1HD1 LEU 892 2.636 -1.993 2.331 448 2HD1 LEU 892 2HD1 LEU 892 1.266 -1.974 3.467 449 3HD1 LEU 892 3HD1 LEU 892 1.788 -0.467 2.678 450 1HD2 LEU 892 1HD2 LEU 892 2.872 -3.018 5.286 451 2HD2 LEU 892 2HD2 LEU 892 3.224 -1.631 6.345 452 3HD2 LEU 892 3HD2 LEU 892 1.598 -1.829 5.648 453 H GLY 893 H GLY 893 5.521 0.717 6.504 454 1HA GLY 893 1HA GLY 893 6.819 0.510 8.395 455 2HA GLY 893 2HA GLY 893 6.590 -1.236 8.153 456 H SER 894 H SER 894 8.875 1.216 8.415 457 HA SER 894 HA SER 894 11.186 0.967 8.397 458 1HB SER 894 1HB SER 894 10.656 -1.550 6.768 459 2HB SER 894 2HB SER 894 12.231 -1.036 7.419 460 HG SER 894 HG SER 894 9.889 -1.668 8.897 461 H ARG 895 H ARG 895 12.950 1.265 6.758 462 HA ARG 895 HA ARG 895 11.967 1.877 4.041 463 1HB ARG 895 1HB ARG 895 13.133 4.126 4.196 464 2HB ARG 895 2HB ARG 895 11.634 3.985 5.147 465 1HG ARG 895 1HG ARG 895 12.796 3.819 7.188 466 2HG ARG 895 2HG ARG 895 14.312 3.331 6.395 467 1HD ARG 895 1HD ARG 895 13.667 5.841 5.284 468 2HD ARG 895 2HD ARG 895 13.328 6.002 7.020 469 HE ARG 895 HE ARG 895 15.853 4.705 6.618 470 1HH1 ARG 895 2HH2 ARG 895 14.232 7.840 6.400 471 2HH1 ARG 895 1HH2 ARG 895 15.687 8.766 6.691 472 1HH2 ARG 895 2HH1 ARG 895 17.775 5.929 7.003 473 2HH2 ARG 895 1HH1 ARG 895 17.707 7.677 7.035 474 H ASP 896 H ASP 896 14.576 1.399 6.392 475 HA ASP 896 HA ASP 896 16.937 1.645 5.417 476 1HB ASP 896 1HB ASP 896 16.768 0.002 7.084 477 2HB ASP 896 2HB ASP 896 15.643 -0.989 6.129 478 H LYS 897 H LYS 897 15.350 -1.259 4.011 479 HA LYS 897 HA LYS 897 16.843 -1.697 1.828 480 1HB LYS 897 1HB LYS 897 14.197 -1.739 0.804 481 2HB LYS 897 2HB LYS 897 15.118 -3.095 1.497 482 1HG LYS 897 1HG LYS 897 13.195 -3.015 2.856 483 2HG LYS 897 2HG LYS 897 14.389 -2.096 3.803 484 1HD LYS 897 1HD LYS 897 13.473 -0.012 2.544 485 2HD LYS 897 2HD LYS 897 12.091 -1.053 2.125 486 1HE LYS 897 1HE LYS 897 12.261 -1.594 4.769 487 2HE LYS 897 2HE LYS 897 12.925 0.055 4.773 488 1HZ LYS 897 1HZ LYS 897 10.433 -0.574 3.391 489 2HZ LYS 897 2HZ LYS 897 10.452 -0.234 5.005 490 3HZ LYS 897 3HZ LYS 897 10.984 0.888 3.919 491 H ASN 898 H ASN 898 14.656 1.068 2.260 492 HA ASN 898 HA ASN 898 16.043 2.499 0.140 493 1HB ASN 898 1HB ASN 898 13.855 0.966 -0.631 494 2HB ASN 898 2HB ASN 898 13.155 2.579 -0.376 495 1HD2 ASN 898 1HD2 ASN 898 12.858 3.274 -2.463 496 2HD2 ASN 898 2HD2 ASN 898 14.151 3.453 -3.629 497 HA PRO 899 HA PRO 899 14.694 5.207 3.522 498 1HB PRO 899 1HB PRO 899 16.805 6.923 3.363 499 2HB PRO 899 2HB PRO 899 16.967 5.289 4.086 500 1HG PRO 899 1HG PRO 899 17.612 6.112 1.240 501 2HG PRO 899 2HG PRO 899 18.677 5.236 2.388 502 1HD PRO 899 1HD PRO 899 17.179 3.906 0.539 503 2HD PRO 899 2HD PRO 899 17.363 3.255 2.195 504 H ALA 900 H ALA 900 15.081 5.482 0.131 505 HA ALA 900 HA ALA 900 14.247 8.304 0.032 506 1HB ALA 900 1HB ALA 900 14.527 8.047 -2.382 507 2HB ALA 900 2HB ALA 900 15.957 7.401 -1.542 508 3HB ALA 900 3HB ALA 900 14.732 6.288 -2.197 509 H ALA 901 H ALA 901 12.782 5.334 0.518 510 HA ALA 901 HA ALA 901 10.391 5.933 -1.097 511 1HB ALA 901 1HB ALA 901 10.925 3.645 -1.157 512 2HB ALA 901 2HB ALA 901 11.353 3.602 0.570 513 3HB ALA 901 3HB ALA 901 9.647 3.730 0.079 514 H GLN 902 H GLN 902 8.316 5.108 0.415 515 HA GLN 902 HA GLN 902 8.295 7.126 2.597 516 1HB GLN 902 1HB GLN 902 6.400 6.245 0.532 517 2HB GLN 902 2HB GLN 902 5.681 6.285 2.160 518 1HG GLN 902 1HG GLN 902 7.022 8.537 0.632 519 2HG GLN 902 2HG GLN 902 5.373 8.480 1.294 520 1HE2 GLN 902 1HE2 GLN 902 6.279 7.207 3.833 521 2HE2 GLN 902 2HE2 GLN 902 7.037 8.485 4.759 522 H GLN 903 H GLN 903 7.936 6.538 4.685 523 HA GLN 903 HA GLN 903 7.842 3.640 5.231 524 1HB GLN 903 1HB GLN 903 8.579 6.125 6.767 525 2HB GLN 903 2HB GLN 903 8.125 4.649 7.652 526 1HG GLN 903 1HG GLN 903 10.098 3.667 7.180 527 2HG GLN 903 2HG GLN 903 9.936 4.040 5.451 528 1HE2 GLN 903 1HE2 GLN 903 10.828 5.978 4.607 529 2HE2 GLN 903 2HE2 GLN 903 11.994 6.923 5.508 530 H VAL 904 H VAL 904 5.539 3.710 4.328 531 HA VAL 904 HA VAL 904 3.567 4.899 6.151 532 HB VAL 904 HB VAL 904 2.221 4.819 4.347 533 1HG1 VAL 904 1HG1 VAL 904 3.299 4.709 2.229 534 2HG1 VAL 904 2HG1 VAL 904 4.576 5.219 3.359 535 3HG1 VAL 904 3HG1 VAL 904 4.497 3.528 2.809 536 1HG2 VAL 904 1HG2 VAL 904 1.873 2.681 3.058 537 2HG2 VAL 904 2HG2 VAL 904 3.135 1.926 4.061 538 3HG2 VAL 904 3HG2 VAL 904 1.628 2.504 4.812 539 H SER 905 H SER 905 1.636 3.384 6.710 540 HA SER 905 HA SER 905 2.736 0.768 7.624 541 1HB SER 905 1HB SER 905 1.993 2.936 9.223 542 2HB SER 905 2HB SER 905 0.576 1.859 9.269 543 HG SER 905 HG SER 905 3.184 1.441 10.160 544 HA PRO 906 HA PRO 906 -0.977 -1.194 6.272 545 1HB PRO 906 1HB PRO 906 -2.239 -2.320 8.408 546 2HB PRO 906 2HB PRO 906 -0.595 -2.832 7.903 547 1HG PRO 906 1HG PRO 906 -1.314 -0.816 10.051 548 2HG PRO 906 2HG PRO 906 -0.226 -2.234 10.209 549 1HD PRO 906 1HD PRO 906 0.750 0.257 9.689 550 2HD PRO 906 2HD PRO 906 1.449 -1.178 8.880 551 H GLU 907 H GLU 907 -1.452 1.120 8.921 552 HA GLU 907 HA GLU 907 -4.297 1.409 8.506 553 1HB GLU 907 1HB GLU 907 -2.191 3.048 9.957 554 2HB GLU 907 2HB GLU 907 -3.916 3.487 9.924 555 1HG GLU 907 1HG GLU 907 -4.529 1.734 11.273 556 2HG GLU 907 2HG GLU 907 -3.272 0.658 10.627 557 H TRP 908 H TRP 908 -1.398 2.678 7.017 558 HA TRP 908 HA TRP 908 -2.462 5.104 5.980 559 1HB TRP 908 1HB TRP 908 -0.069 4.537 6.061 560 2HB TRP 908 2HB TRP 908 -0.329 3.248 4.879 561 HD1 TRP 908 HD TRP 908 -0.485 7.085 5.150 562 HE1 TRP 908 1HE TRP 908 -0.026 8.121 2.869 563 HE3 TRP 908 3HE TRP 908 -0.253 2.805 2.354 564 HZ2 TRP 908 2HZ TRP 908 0.393 7.211 0.154 565 HZ3 TRP 908 3HZ TRP 908 0.177 2.929 -0.073 566 HH2 TRP 908 HH TRP 908 0.501 5.119 -1.186 567 H ILE 909 H ILE 909 -2.056 1.871 4.422 568 HA ILE 909 HA ILE 909 -3.243 2.378 1.987 569 HB ILE 909 HB ILE 909 -3.083 -0.012 3.794 570 1HG1 ILE 909 1HG1 ILE 909 -2.384 -0.344 0.994 571 2HG1 ILE 909 2HG1 ILE 909 -1.614 1.120 1.652 572 1HG2 ILE 909 1HG2 ILE 909 -4.633 0.032 1.171 573 2HG2 ILE 909 2HG2 ILE 909 -4.350 -1.377 2.222 574 3HG2 ILE 909 3HG2 ILE 909 -5.386 -0.042 2.782 575 1HD1 ILE 909 1HD1 ILE 909 -0.112 -0.713 2.088 576 2HD1 ILE 909 2HD1 ILE 909 -0.879 -0.296 3.639 577 3HD1 ILE 909 3HD1 ILE 909 -1.432 -1.721 2.727 578 H TRP 910 H TRP 910 -4.984 1.162 4.915 579 HA TRP 910 HA TRP 910 -7.568 1.261 3.920 580 1HB TRP 910 1HB TRP 910 -6.673 2.085 6.697 581 2HB TRP 910 2HB TRP 910 -8.281 1.513 6.235 582 HD1 TRP 910 HD TRP 910 -5.650 0.293 8.138 583 HE1 TRP 910 1HE TRP 910 -5.325 -2.231 8.043 584 HE3 TRP 910 3HE TRP 910 -8.310 -0.705 3.880 585 HZ2 TRP 910 2HZ TRP 910 -6.118 -4.427 6.332 586 HZ3 TRP 910 3HZ TRP 910 -8.502 -3.021 3.050 587 HH2 TRP 910 HH TRP 910 -7.414 -4.889 4.261 588 H ALA 911 H ALA 911 -6.112 3.877 5.940 589 HA ALA 911 HA ALA 911 -8.065 5.801 5.499 590 1HB ALA 911 1HB ALA 911 -5.901 7.372 5.689 591 2HB ALA 911 2HB ALA 911 -6.532 6.463 7.083 592 3HB ALA 911 3HB ALA 911 -5.146 5.831 6.163 593 H CYS 912 H CYS 912 -5.102 5.162 3.558 594 HA CYS 912 HA CYS 912 -5.701 7.199 1.615 595 1HB CYS 912 1HB CYS 912 -3.942 4.749 1.251 596 2HB CYS 912 2HB CYS 912 -3.807 6.328 0.438 597 HG CYS 912 HG CYS 912 -3.995 6.580 3.605 598 H ILE 913 H ILE 913 -6.526 3.786 2.045 599 HA ILE 913 HA ILE 913 -7.296 3.157 -0.592 600 HB ILE 913 HB ILE 913 -8.338 2.226 2.108 601 1HG1 ILE 913 1HG1 ILE 913 -6.290 1.218 0.101 602 2HG1 ILE 913 2HG1 ILE 913 -6.044 1.619 1.818 603 1HG2 ILE 913 1HG2 ILE 913 -9.812 0.841 1.072 604 2HG2 ILE 913 2HG2 ILE 913 -9.657 1.950 -0.311 605 3HG2 ILE 913 3HG2 ILE 913 -8.672 0.469 -0.243 606 1HD1 ILE 913 1HD1 ILE 913 -6.890 -0.382 2.541 607 2HD1 ILE 913 2HD1 ILE 913 -8.123 -0.440 1.258 608 3HD1 ILE 913 3HD1 ILE 913 -6.446 -0.920 0.904 609 H ARG 914 H ARG 914 -9.401 4.221 2.148 610 HA ARG 914 HA ARG 914 -11.674 4.653 0.462 611 1HB ARG 914 1HB ARG 914 -11.265 4.433 3.145 612 2HB ARG 914 2HB ARG 914 -11.436 6.198 2.991 613 1HG ARG 914 1HG ARG 914 -13.387 4.404 1.556 614 2HG ARG 914 2HG ARG 914 -13.580 4.670 3.305 615 1HD ARG 914 1HD ARG 914 -13.034 7.122 1.733 616 2HD ARG 914 2HD ARG 914 -14.577 6.330 1.350 617 HE ARG 914 HE ARG 914 -14.035 7.891 3.650 618 1HH1 ARG 914 2HH2 ARG 914 -15.470 4.789 2.743 619 2HH1 ARG 914 1HH2 ARG 914 -16.585 4.756 4.090 620 1HH2 ARG 914 2HH1 ARG 914 -15.509 7.847 5.430 621 2HH2 ARG 914 1HH1 ARG 914 -16.608 6.499 5.622 622 H LYS 915 H LYS 915 -9.172 6.827 1.854 623 HA LYS 915 HA LYS 915 -10.168 9.286 1.063 624 1HB LYS 915 1HB LYS 915 -7.343 8.188 1.172 625 2HB LYS 915 2HB LYS 915 -7.686 9.893 0.792 626 1HG LYS 915 1HG LYS 915 -8.907 8.569 3.228 627 2HG LYS 915 2HG LYS 915 -7.260 9.241 3.284 628 1HD LYS 915 1HD LYS 915 -8.068 11.440 2.652 629 2HD LYS 915 2HD LYS 915 -9.703 10.803 2.354 630 1HE LYS 915 1HE LYS 915 -10.230 11.116 4.515 631 2HE LYS 915 2HE LYS 915 -8.912 10.028 5.000 632 1HZ LYS 915 1HZ LYS 915 -8.529 12.867 4.376 633 2HZ LYS 915 2HZ LYS 915 -8.780 12.291 5.901 634 3HZ LYS 915 3HZ LYS 915 -7.440 11.832 5.056 635 H ARG 916 H ARG 916 -9.358 6.628 -0.936 636 HA ARG 916 HA ARG 916 -9.392 6.372 -3.211 637 1HB ARG 916 1HB ARG 916 -10.921 8.812 -2.708 638 2HB ARG 916 2HB ARG 916 -10.095 8.862 -4.284 639 1HG ARG 916 1HG ARG 916 -11.247 6.226 -3.772 640 2HG ARG 916 2HG ARG 916 -12.485 7.502 -3.681 641 1HD ARG 916 1HD ARG 916 -10.560 6.962 -5.976 642 2HD ARG 916 2HD ARG 916 -12.325 6.756 -5.985 643 HE ARG 916 HE ARG 916 -11.911 9.424 -5.318 644 1HH1 ARG 916 2HH2 ARG 916 -11.042 7.261 -7.977 645 2HH1 ARG 916 1HH2 ARG 916 -11.033 8.526 -9.185 646 1HH2 ARG 916 2HH1 ARG 916 -11.899 11.095 -6.914 647 2HH2 ARG 916 1HH1 ARG 916 -11.522 10.712 -8.579 648 H ARG 917 H ARG 917 -7.295 8.194 -1.506 649 HA ARG 917 HA ARG 917 -5.453 8.390 -3.785 650 1HB ARG 917 1HB ARG 917 -5.001 10.816 -2.538 651 2HB ARG 917 2HB ARG 917 -5.885 10.592 -4.067 652 1HG ARG 917 1HG ARG 917 -7.423 10.173 -1.532 653 2HG ARG 917 2HG ARG 917 -6.972 11.847 -1.937 654 1HD ARG 917 1HD ARG 917 -7.838 11.077 -4.359 655 2HD ARG 917 2HD ARG 917 -8.794 9.948 -3.374 656 HE ARG 917 HE ARG 917 -9.191 12.367 -2.133 657 1HH1 ARG 917 2HH2 ARG 917 -9.500 11.187 -5.451 658 2HH1 ARG 917 1HH2 ARG 917 -10.797 12.284 -5.866 659 1HH2 ARG 917 2HH1 ARG 917 -10.906 13.817 -2.681 660 2HH2 ARG 917 1HH1 ARG 917 -11.599 13.783 -4.287 661 H LEU 918 H LEU 918 -3.382 9.732 -2.576 662 HA LEU 918 HA LEU 918 -2.649 7.809 -0.465 663 1HB LEU 918 1HB LEU 918 -1.129 9.785 -2.190 664 2HB LEU 918 2HB LEU 918 -0.374 8.964 -0.803 665 HG LEU 918 HG LEU 918 0.117 7.406 -2.432 666 1HD1 LEU 918 1HD1 LEU 918 -1.634 6.503 -0.728 667 2HD1 LEU 918 2HD1 LEU 918 -2.777 6.573 -2.091 668 3HD1 LEU 918 3HD1 LEU 918 -1.326 5.547 -2.198 669 1HD2 LEU 918 1HD2 LEU 918 -2.523 7.931 -3.845 670 2HD2 LEU 918 2HD2 LEU 918 -1.057 8.886 -4.170 671 3HD2 LEU 918 3HD2 LEU 918 -1.069 7.135 -4.494 672 H VAL 919 H VAL 919 -2.429 8.328 1.650 673 HA VAL 919 HA VAL 919 -2.896 11.180 2.371 674 HB VAL 919 HB VAL 919 -4.163 10.465 4.140 675 1HG1 VAL 919 1HG1 VAL 919 -5.050 7.996 3.476 676 2HG1 VAL 919 2HG1 VAL 919 -5.532 9.460 2.587 677 3HG1 VAL 919 3HG1 VAL 919 -4.231 8.424 1.955 678 1HG2 VAL 919 1HG2 VAL 919 -2.014 8.436 4.323 679 2HG2 VAL 919 2HG2 VAL 919 -2.886 9.293 5.616 680 3HG2 VAL 919 3HG2 VAL 919 -3.612 7.858 4.853 681 H ALA 920 H ALA 920 -2.087 10.945 5.072 682 HA ALA 920 HA ALA 920 0.753 11.294 4.759 683 1HB ALA 920 1HB ALA 920 0.264 12.561 6.552 684 2HB ALA 920 2HB ALA 920 -1.306 11.750 6.770 685 3HB ALA 920 3HB ALA 920 0.163 11.057 7.498 686 HA PRO 921 HA PRO 921 1.589 6.916 5.221 687 1HB PRO 921 1HB PRO 921 4.230 7.043 4.565 688 2HB PRO 921 2HB PRO 921 2.940 7.263 3.339 689 1HG PRO 921 1HG PRO 921 4.432 9.430 4.846 690 2HG PRO 921 2HG PRO 921 4.209 9.295 3.071 691 1HD PRO 921 1HD PRO 921 2.565 10.844 4.596 692 2HD PRO 921 2HD PRO 921 1.901 9.868 3.250 693 H CYS 922 H CYS 922 2.012 5.907 7.111 694 HA CYS 922 HA CYS 922 4.157 6.855 8.857 695 1HB CYS 922 1HB CYS 922 1.263 7.344 9.402 696 2HB CYS 922 2HB CYS 922 2.237 6.725 10.758 697 HG CYS 922 HG CYS 922 2.224 9.514 9.136 Start of MODEL 14 1 H GLY 835 H GLY 835 -12.441 -6.398 9.273 2 1HA GLY 835 1HA GLY 835 -13.576 -4.770 10.904 3 2HA GLY 835 2HA GLY 835 -11.912 -4.326 11.345 4 H SER 836 H SER 836 -10.925 -2.745 10.201 5 HA SER 836 HA SER 836 -12.267 -1.156 8.348 6 1HB SER 836 1HB SER 836 -9.483 -1.521 9.281 7 2HB SER 836 2HB SER 836 -9.633 -0.801 7.660 8 HG SER 836 HG SER 836 -11.211 0.090 9.824 9 H ALA 837 H ALA 837 -9.385 -3.065 7.371 10 HA ALA 837 HA ALA 837 -9.697 -3.092 4.686 11 1HB ALA 837 1HB ALA 837 -7.992 -4.325 6.211 12 2HB ALA 837 2HB ALA 837 -9.127 -5.693 6.122 13 3HB ALA 837 3HB ALA 837 -8.390 -5.050 4.635 14 H ASP 838 H ASP 838 -11.110 -5.710 6.740 15 HA ASP 838 HA ASP 838 -12.635 -6.966 4.810 16 1HB ASP 838 1HB ASP 838 -13.473 -6.407 7.680 17 2HB ASP 838 2HB ASP 838 -14.051 -7.731 6.645 18 H GLU 839 H GLU 839 -13.434 -4.017 6.686 19 HA GLU 839 HA GLU 839 -16.071 -3.778 5.520 20 1HB GLU 839 1HB GLU 839 -14.282 -2.114 7.275 21 2HB GLU 839 2HB GLU 839 -15.683 -1.346 6.490 22 1HG GLU 839 1HG GLU 839 -16.066 -2.367 8.826 23 2HG GLU 839 2HG GLU 839 -17.220 -2.812 7.550 24 H THR 840 H THR 840 -12.814 -2.885 4.606 25 HA THR 840 HA THR 840 -13.704 -0.863 2.687 26 HB THR 840 HB THR 840 -10.961 -2.130 2.807 27 HG1 THR 840 1HG THR 840 -10.488 -0.791 4.496 28 1HG2 THR 840 1HG2 THR 840 -11.568 -0.478 1.017 29 2HG2 THR 840 2HG2 THR 840 -11.931 0.713 2.289 30 3HG2 THR 840 3HG2 THR 840 -10.271 0.102 2.090 31 H LEU 841 H LEU 841 -12.293 -4.174 2.618 32 HA LEU 841 HA LEU 841 -12.408 -4.400 -0.238 33 1HB LEU 841 1HB LEU 841 -11.968 -6.235 2.098 34 2HB LEU 841 2HB LEU 841 -12.345 -6.953 0.513 35 HG LEU 841 HG LEU 841 -9.828 -6.378 1.222 36 1HD1 LEU 841 1HD1 LEU 841 -9.459 -6.966 -0.929 37 2HD1 LEU 841 2HD1 LEU 841 -11.221 -6.887 -1.166 38 3HD1 LEU 841 3HD1 LEU 841 -10.210 -5.468 -1.530 39 1HD2 LEU 841 1HD2 LEU 841 -9.608 -4.053 -0.233 40 2HD2 LEU 841 2HD2 LEU 841 -11.128 -3.775 0.652 41 3HD2 LEU 841 3HD2 LEU 841 -9.630 -4.131 1.545 42 H CYS 842 H CYS 842 -14.867 -4.069 1.963 43 HA CYS 842 HA CYS 842 -16.725 -6.078 1.315 44 1HB CYS 842 1HB CYS 842 -16.743 -4.068 3.050 45 2HB CYS 842 2HB CYS 842 -17.616 -3.236 1.739 46 HG CYS 842 HG CYS 842 -19.149 -5.509 1.341 47 H GLN 843 H GLN 843 -15.218 -3.937 -0.772 48 HA GLN 843 HA GLN 843 -17.531 -4.018 -2.653 49 1HB GLN 843 1HB GLN 843 -15.233 -2.066 -2.848 50 2HB GLN 843 2HB GLN 843 -16.877 -1.937 -3.518 51 1HG GLN 843 1HG GLN 843 -16.991 -2.255 -0.636 52 2HG GLN 843 2HG GLN 843 -15.927 -0.895 -1.058 53 1HE2 GLN 843 1HE2 GLN 843 -19.178 -1.993 -0.752 54 2HE2 GLN 843 2HE2 GLN 843 -19.974 -0.584 -1.419 55 H THR 844 H THR 844 -16.607 -6.283 -2.990 56 HA THR 844 HA THR 844 -15.517 -7.732 -4.386 57 HB THR 844 HB THR 844 -15.905 -5.354 -5.879 58 HG1 THR 844 1HG THR 844 -16.338 -6.841 -7.308 59 1HG2 THR 844 1HG2 THR 844 -13.675 -4.717 -6.062 60 2HG2 THR 844 2HG2 THR 844 -13.076 -6.385 -5.895 61 3HG2 THR 844 3HG2 THR 844 -13.797 -5.847 -7.431 62 H LYS 845 H LYS 845 -13.333 -4.890 -4.703 63 HA LYS 845 HA LYS 845 -11.354 -6.210 -2.973 64 1HB LYS 845 1HB LYS 845 -11.138 -5.940 -5.954 65 2HB LYS 845 2HB LYS 845 -9.676 -5.670 -4.974 66 1HG LYS 845 1HG LYS 845 -11.472 -8.127 -4.786 67 2HG LYS 845 2HG LYS 845 -9.933 -8.057 -5.678 68 1HD LYS 845 1HD LYS 845 -8.871 -8.582 -3.759 69 2HD LYS 845 2HD LYS 845 -9.382 -7.007 -3.106 70 1HE LYS 845 1HE LYS 845 -10.219 -8.591 -1.554 71 2HE LYS 845 2HE LYS 845 -11.622 -8.162 -2.555 72 1HZ LYS 845 1HZ LYS 845 -11.751 -10.208 -3.292 73 2HZ LYS 845 2HZ LYS 845 -10.137 -10.325 -3.611 74 3HZ LYS 845 3HZ LYS 845 -10.704 -10.644 -2.095 75 H VAL 846 H VAL 846 -12.986 -3.519 -4.138 76 HA VAL 846 HA VAL 846 -12.641 -1.250 -3.999 77 HB VAL 846 HB VAL 846 -11.117 -0.862 -1.747 78 1HG1 VAL 846 1HG1 VAL 846 -13.645 -0.406 -2.452 79 2HG1 VAL 846 2HG1 VAL 846 -13.949 -1.831 -1.430 80 3HG1 VAL 846 3HG1 VAL 846 -13.159 -0.393 -0.740 81 1HG2 VAL 846 1HG2 VAL 846 -11.711 -2.711 -0.198 82 2HG2 VAL 846 2HG2 VAL 846 -12.426 -3.610 -1.557 83 3HG2 VAL 846 3HG2 VAL 846 -10.677 -3.281 -1.529 84 H LEU 847 H LEU 847 -11.418 -0.119 -5.379 85 HA LEU 847 HA LEU 847 -8.515 -0.024 -4.969 86 1HB LEU 847 1HB LEU 847 -9.575 -0.731 -7.717 87 2HB LEU 847 2HB LEU 847 -7.901 -0.801 -7.117 88 HG LEU 847 HG LEU 847 -9.043 -3.055 -7.288 89 1HD1 LEU 847 1HD1 LEU 847 -7.426 -3.490 -5.772 90 2HD1 LEU 847 2HD1 LEU 847 -7.602 -1.877 -5.039 91 3HD1 LEU 847 3HD1 LEU 847 -8.644 -3.216 -4.503 92 1HD2 LEU 847 1HD2 LEU 847 -11.114 -1.623 -5.967 93 2HD2 LEU 847 2HD2 LEU 847 -11.090 -3.351 -6.392 94 3HD2 LEU 847 3HD2 LEU 847 -10.505 -2.818 -4.798 95 H LEU 848 H LEU 848 -9.214 2.148 -4.338 96 HA LEU 848 HA LEU 848 -10.234 3.837 -6.533 97 1HB LEU 848 1HB LEU 848 -10.106 3.955 -3.573 98 2HB LEU 848 2HB LEU 848 -9.828 5.505 -4.403 99 HG LEU 848 HG LEU 848 -12.091 3.779 -5.364 100 1HD1 LEU 848 1HD1 LEU 848 -13.057 3.720 -3.319 101 2HD1 LEU 848 2HD1 LEU 848 -11.812 4.788 -2.627 102 3HD1 LEU 848 3HD1 LEU 848 -13.227 5.487 -3.452 103 1HD2 LEU 848 1HD2 LEU 848 -11.110 6.498 -5.624 104 2HD2 LEU 848 2HD2 LEU 848 -12.400 5.680 -6.538 105 3HD2 LEU 848 3HD2 LEU 848 -12.781 6.510 -5.010 106 H ASP 849 H ASP 849 -9.128 6.163 -6.459 107 HA ASP 849 HA ASP 849 -6.387 5.702 -7.300 108 1HB ASP 849 1HB ASP 849 -6.442 8.057 -7.913 109 2HB ASP 849 2HB ASP 849 -7.945 7.271 -8.445 110 H ILE 850 H ILE 850 -6.700 4.981 -4.593 111 HA ILE 850 HA ILE 850 -5.990 7.082 -2.795 112 HB ILE 850 HB ILE 850 -4.975 4.421 -2.097 113 1HG1 ILE 850 1HG1 ILE 850 -6.887 4.047 -3.862 114 2HG1 ILE 850 2HG1 ILE 850 -6.931 3.145 -2.328 115 1HG2 ILE 850 1HG2 ILE 850 -5.842 5.030 -0.080 116 2HG2 ILE 850 2HG2 ILE 850 -5.990 6.640 -0.823 117 3HG2 ILE 850 3HG2 ILE 850 -7.390 5.542 -0.794 118 1HD1 ILE 850 1HD1 ILE 850 -8.606 5.489 -3.220 119 2HD1 ILE 850 2HD1 ILE 850 -9.108 3.981 -2.417 120 3HD1 ILE 850 3HD1 ILE 850 -8.291 5.257 -1.483 121 H PHE 851 H PHE 851 -3.808 4.313 -3.188 122 HA PHE 851 HA PHE 851 -1.481 5.906 -2.861 123 1HB PHE 851 1HB PHE 851 -1.523 3.232 -4.257 124 2HB PHE 851 2HB PHE 851 -0.291 3.906 -3.177 125 HD1 PHE 851 1HD PHE 851 -2.559 1.380 -3.352 126 HD2 PHE 851 2HD PHE 851 -1.558 4.669 -0.776 127 HE1 PHE 851 1HE PHE 851 -3.594 0.194 -1.435 128 HE2 PHE 851 2HE PHE 851 -2.593 3.483 1.141 129 HZ PHE 851 HZ PHE 851 -3.611 1.245 0.811 130 H THR 852 H THR 852 -3.242 6.933 -4.975 131 HA THR 852 HA THR 852 -2.608 6.426 -7.573 132 HB THR 852 HB THR 852 -3.863 8.451 -6.260 133 HG1 THR 852 1HG THR 852 -2.880 8.663 -8.912 134 1HG2 THR 852 1HG2 THR 852 -1.329 9.625 -7.486 135 2HG2 THR 852 2HG2 THR 852 -2.713 10.560 -6.869 136 3HG2 THR 852 3HG2 THR 852 -1.725 9.589 -5.751 137 H GLY 853 H GLY 853 -0.625 5.729 -8.226 138 1HA GLY 853 1HA GLY 853 1.557 5.953 -8.930 139 2HA GLY 853 2HA GLY 853 1.483 7.674 -8.487 140 H VAL 854 H VAL 854 0.440 5.994 -5.816 141 HA VAL 854 HA VAL 854 2.884 6.514 -4.371 142 HB VAL 854 HB VAL 854 0.150 5.431 -3.765 143 1HG1 VAL 854 1HG1 VAL 854 0.750 4.556 -1.671 144 2HG1 VAL 854 2HG1 VAL 854 2.070 3.974 -2.713 145 3HG1 VAL 854 3HG1 VAL 854 2.322 5.390 -1.664 146 1HG2 VAL 854 1HG2 VAL 854 1.976 7.650 -2.789 147 2HG2 VAL 854 2HG2 VAL 854 0.378 7.789 -3.561 148 3HG2 VAL 854 3HG2 VAL 854 0.511 7.181 -1.894 149 H ARG 855 H ARG 855 4.643 5.268 -4.672 150 HA ARG 855 HA ARG 855 4.228 2.345 -5.034 151 1HB ARG 855 1HB ARG 855 6.217 2.306 -6.254 152 2HB ARG 855 2HB ARG 855 5.549 3.894 -6.699 153 1HG ARG 855 1HG ARG 855 6.899 4.838 -4.720 154 2HG ARG 855 2HG ARG 855 7.746 3.273 -4.696 155 1HD ARG 855 1HD ARG 855 8.935 3.763 -6.560 156 2HD ARG 855 2HD ARG 855 7.513 4.425 -7.395 157 HE ARG 855 HE ARG 855 8.706 6.096 -5.278 158 1HH1 ARG 855 2HH2 ARG 855 8.366 5.338 -8.714 159 2HH1 ARG 855 1HH2 ARG 855 8.924 6.906 -9.255 160 1HH2 ARG 855 2HH1 ARG 855 9.443 8.167 -5.992 161 2HH2 ARG 855 1HH1 ARG 855 9.537 8.518 -7.703 162 H LEU 856 H LEU 856 4.109 1.517 -2.983 163 HA LEU 856 HA LEU 856 6.409 2.147 -1.193 164 1HB LEU 856 1HB LEU 856 4.998 2.124 0.657 165 2HB LEU 856 2HB LEU 856 3.948 2.868 -0.573 166 HG LEU 856 HG LEU 856 2.800 0.801 -0.976 167 1HD1 LEU 856 1HD1 LEU 856 4.257 -0.971 -1.021 168 2HD1 LEU 856 2HD1 LEU 856 5.239 -0.330 0.318 169 3HD1 LEU 856 3HD1 LEU 856 3.709 -1.171 0.661 170 1HD2 LEU 856 1HD2 LEU 856 1.980 0.199 1.296 171 2HD2 LEU 856 2HD2 LEU 856 3.346 1.089 2.010 172 3HD2 LEU 856 3HD2 LEU 856 2.103 1.961 1.080 173 H TYR 857 H TYR 857 7.417 0.417 -0.155 174 HA TYR 857 HA TYR 857 7.176 -2.130 -1.517 175 1HB TYR 857 1HB TYR 857 9.346 -1.876 -0.931 176 2HB TYR 857 2HB TYR 857 8.962 -0.815 0.435 177 HD1 TYR 857 1HD TYR 857 8.667 -4.419 -0.593 178 HD2 TYR 857 2HD TYR 857 9.305 -1.604 2.588 179 HE1 TYR 857 1HE TYR 857 9.089 -6.290 0.978 180 HE2 TYR 857 2HE TYR 857 9.728 -3.475 4.160 181 HH TYR 857 HH TYR 857 9.264 -6.857 3.254 182 H LEU 858 H LEU 858 5.401 -3.344 -1.114 183 HA LEU 858 HA LEU 858 4.239 -3.389 1.579 184 1HB LEU 858 1HB LEU 858 2.834 -3.314 -0.485 185 2HB LEU 858 2HB LEU 858 3.471 -4.912 -0.941 186 HG LEU 858 HG LEU 858 2.196 -5.998 0.607 187 1HD1 LEU 858 1HD1 LEU 858 2.744 -3.596 2.392 188 2HD1 LEU 858 2HD1 LEU 858 1.698 -4.950 2.883 189 3HD1 LEU 858 3HD1 LEU 858 3.419 -5.238 2.531 190 1HD2 LEU 858 1HD2 LEU 858 0.510 -3.682 1.282 191 2HD2 LEU 858 2HD2 LEU 858 0.849 -3.806 -0.461 192 3HD2 LEU 858 3HD2 LEU 858 0.095 -5.170 0.399 193 HA PRO 859 HA PRO 859 6.901 -6.869 2.530 194 1HB PRO 859 1HB PRO 859 6.352 -6.944 5.198 195 2HB PRO 859 2HB PRO 859 7.347 -5.639 4.473 196 1HG PRO 859 1HG PRO 859 4.377 -5.566 5.074 197 2HG PRO 859 2HG PRO 859 5.617 -4.370 5.572 198 1HD PRO 859 1HD PRO 859 4.098 -3.996 3.340 199 2HD PRO 859 2HD PRO 859 5.836 -3.567 3.338 200 HA PRO 860 HA PRO 860 3.818 -10.027 2.258 201 1HB PRO 860 1HB PRO 860 5.361 -12.213 2.773 202 2HB PRO 860 2HB PRO 860 5.584 -11.225 1.292 203 1HG PRO 860 1HG PRO 860 7.119 -11.005 3.898 204 2HG PRO 860 2HG PRO 860 7.798 -11.171 2.245 205 1HD PRO 860 1HD PRO 860 7.522 -8.732 3.430 206 2HD PRO 860 2HD PRO 860 7.163 -8.941 1.689 207 H SER 861 H SER 861 5.746 -9.346 5.108 208 HA SER 861 HA SER 861 4.313 -11.192 6.839 209 1HB SER 861 1HB SER 861 6.644 -9.502 6.958 210 2HB SER 861 2HB SER 861 5.581 -9.127 8.335 211 HG SER 861 HG SER 861 7.124 -10.943 8.560 212 H THR 862 H THR 862 3.713 -8.092 5.466 213 HA THR 862 HA THR 862 2.213 -6.903 7.579 214 HB THR 862 HB THR 862 2.973 -6.291 4.914 215 HG1 THR 862 1HG THR 862 2.790 -4.372 5.766 216 1HG2 THR 862 1HG2 THR 862 0.747 -5.288 4.154 217 2HG2 THR 862 2HG2 THR 862 0.871 -7.060 4.041 218 3HG2 THR 862 3HG2 THR 862 -0.033 -6.315 5.381 219 HA PRO 863 HA PRO 863 -1.439 -9.361 7.531 220 1HB PRO 863 1HB PRO 863 -3.143 -7.673 8.823 221 2HB PRO 863 2HB PRO 863 -1.727 -8.402 9.649 222 1HG PRO 863 1HG PRO 863 -1.892 -5.665 8.355 223 2HG PRO 863 2HG PRO 863 -1.341 -6.051 10.018 224 1HD PRO 863 1HD PRO 863 0.431 -5.744 7.970 225 2HD PRO 863 2HD PRO 863 0.674 -7.025 9.196 226 H ASP 864 H ASP 864 -3.060 -9.698 6.070 227 HA ASP 864 HA ASP 864 -4.644 -9.246 4.460 228 1HB ASP 864 1HB ASP 864 -4.551 -6.858 5.933 229 2HB ASP 864 2HB ASP 864 -4.340 -6.354 4.242 230 H PHE 865 H PHE 865 -1.449 -9.002 4.322 231 HA PHE 865 HA PHE 865 -0.648 -7.504 2.157 232 1HB PHE 865 1HB PHE 865 0.736 -9.029 3.612 233 2HB PHE 865 2HB PHE 865 0.141 -10.392 2.650 234 HD1 PHE 865 1HD PHE 865 1.412 -11.108 0.851 235 HD2 PHE 865 2HD PHE 865 1.780 -7.041 2.181 236 HE1 PHE 865 1HE PHE 865 3.226 -10.733 -0.799 237 HE2 PHE 865 2HE PHE 865 3.593 -6.665 0.532 238 HZ PHE 865 HZ PHE 865 4.316 -8.511 -0.959 239 H SER 866 H SER 866 -2.257 -10.719 2.091 240 HA SER 866 HA SER 866 -2.238 -11.586 -0.398 241 1HB SER 866 1HB SER 866 -4.530 -11.116 1.471 242 2HB SER 866 2HB SER 866 -4.911 -11.616 -0.194 243 HG SER 866 HG SER 866 -3.558 -12.980 1.830 244 H ARG 867 H ARG 867 -5.011 -9.400 0.081 245 HA ARG 867 HA ARG 867 -4.938 -8.527 -2.642 246 1HB ARG 867 1HB ARG 867 -6.331 -7.175 -0.304 247 2HB ARG 867 2HB ARG 867 -6.791 -7.134 -2.023 248 1HG ARG 867 1HG ARG 867 -7.902 -9.097 -1.861 249 2HG ARG 867 2HG ARG 867 -6.539 -9.877 -1.023 250 1HD ARG 867 1HD ARG 867 -7.301 -9.241 1.091 251 2HD ARG 867 2HD ARG 867 -8.242 -7.875 0.454 252 HE ARG 867 HE ARG 867 -10.035 -9.300 0.065 253 1HH1 ARG 867 2HH2 ARG 867 -7.097 -11.139 0.763 254 2HH1 ARG 867 1HH2 ARG 867 -7.926 -12.673 0.902 255 1HH2 ARG 867 2HH1 ARG 867 -11.130 -11.327 0.248 256 2HH2 ARG 867 1HH1 ARG 867 -10.225 -12.780 0.608 257 H LEU 868 H LEU 868 -3.785 -7.145 0.446 258 HA LEU 868 HA LEU 868 -3.229 -4.571 -0.036 259 1HB LEU 868 1HB LEU 868 -1.710 -6.771 1.267 260 2HB LEU 868 2HB LEU 868 -0.778 -5.300 0.895 261 HG LEU 868 HG LEU 868 -3.255 -5.586 2.622 262 1HD1 LEU 868 1HD1 LEU 868 -1.683 -5.440 4.231 263 2HD1 LEU 868 2HD1 LEU 868 -0.410 -5.187 3.013 264 3HD1 LEU 868 3HD1 LEU 868 -1.311 -3.795 3.660 265 1HD2 LEU 868 1HD2 LEU 868 -3.883 -3.713 1.352 266 2HD2 LEU 868 2HD2 LEU 868 -2.994 -2.974 2.705 267 3HD2 LEU 868 3HD2 LEU 868 -2.200 -3.180 1.125 268 H ARG 869 H ARG 869 -1.133 -7.230 -1.290 269 HA ARG 869 HA ARG 869 0.599 -5.595 -2.789 270 1HB ARG 869 1HB ARG 869 0.833 -8.066 -2.226 271 2HB ARG 869 2HB ARG 869 -0.315 -8.391 -3.547 272 1HG ARG 869 1HG ARG 869 1.513 -8.416 -4.894 273 2HG ARG 869 2HG ARG 869 1.489 -6.644 -4.727 274 1HD ARG 869 1HD ARG 869 3.684 -7.201 -4.095 275 2HD ARG 869 2HD ARG 869 2.842 -7.063 -2.537 276 HE ARG 869 HE ARG 869 2.985 -9.390 -2.248 277 1HH1 ARG 869 2HH2 ARG 869 4.168 -8.361 -5.417 278 2HH1 ARG 869 1HH2 ARG 869 4.935 -9.891 -5.779 279 1HH2 ARG 869 2HH1 ARG 869 3.999 -11.410 -2.727 280 2HH2 ARG 869 1HH1 ARG 869 4.839 -11.629 -4.245 281 H ARG 870 H ARG 870 -1.542 -7.831 -4.542 282 HA ARG 870 HA ARG 870 -1.731 -6.466 -6.894 283 1HB ARG 870 1HB ARG 870 -3.062 -8.614 -5.666 284 2HB ARG 870 2HB ARG 870 -4.357 -7.492 -6.150 285 1HG ARG 870 1HG ARG 870 -3.911 -8.977 -8.018 286 2HG ARG 870 2HG ARG 870 -3.286 -7.363 -8.435 287 1HD ARG 870 1HD ARG 870 -1.438 -8.618 -8.999 288 2HD ARG 870 2HD ARG 870 -1.074 -8.343 -7.282 289 HE ARG 870 HE ARG 870 -2.659 -10.740 -7.781 290 1HH1 ARG 870 2HH2 ARG 870 0.581 -9.336 -7.600 291 2HH1 ARG 870 1HH2 ARG 870 1.371 -10.859 -7.258 292 1HH2 ARG 870 2HH1 ARG 870 -1.616 -12.752 -7.328 293 2HH2 ARG 870 1HH1 ARG 870 0.118 -12.807 -7.103 294 H TYR 871 H TYR 871 -3.981 -6.041 -4.102 295 HA TYR 871 HA TYR 871 -5.660 -4.112 -5.093 296 1HB TYR 871 1HB TYR 871 -5.606 -5.168 -2.785 297 2HB TYR 871 2HB TYR 871 -4.374 -3.971 -2.351 298 HD1 TYR 871 1HD TYR 871 -7.547 -3.696 -4.347 299 HD2 TYR 871 2HD TYR 871 -5.321 -2.432 -0.897 300 HE1 TYR 871 1HE TYR 871 -9.329 -2.062 -3.796 301 HE2 TYR 871 2HE TYR 871 -7.104 -0.798 -0.346 302 HH TYR 871 HH TYR 871 -9.878 -0.716 -1.012 303 H PHE 872 H PHE 872 -2.575 -3.383 -3.353 304 HA PHE 872 HA PHE 872 -2.546 -0.633 -3.804 305 1HB PHE 872 1HB PHE 872 -0.982 -2.140 -2.418 306 2HB PHE 872 2HB PHE 872 -0.076 -2.373 -3.922 307 HD1 PHE 872 1HD PHE 872 -0.215 -0.496 -0.990 308 HD2 PHE 872 2HD PHE 872 0.399 -0.033 -5.217 309 HE1 PHE 872 1HE PHE 872 1.004 1.624 -0.581 310 HE2 PHE 872 2HE PHE 872 1.618 2.087 -4.807 311 HZ PHE 872 HZ PHE 872 1.921 2.915 -2.489 312 H VAL 873 H VAL 873 0.017 -2.366 -5.487 313 HA VAL 873 HA VAL 873 0.404 -0.800 -7.617 314 HB VAL 873 HB VAL 873 1.746 -2.594 -7.917 315 1HG1 VAL 873 1HG1 VAL 873 0.813 -4.973 -7.300 316 2HG1 VAL 873 2HG1 VAL 873 1.176 -3.817 -5.996 317 3HG1 VAL 873 3HG1 VAL 873 -0.505 -4.058 -6.529 318 1HG2 VAL 873 1HG2 VAL 873 1.016 -4.147 -9.615 319 2HG2 VAL 873 2HG2 VAL 873 -0.694 -3.897 -9.188 320 3HG2 VAL 873 3HG2 VAL 873 0.232 -2.587 -9.960 321 H ALA 874 H ALA 874 -2.420 -2.909 -7.164 322 HA ALA 874 HA ALA 874 -3.493 -2.773 -9.765 323 1HB ALA 874 1HB ALA 874 -4.475 -4.307 -8.260 324 2HB ALA 874 2HB ALA 874 -4.698 -3.066 -7.003 325 3HB ALA 874 3HB ALA 874 -5.714 -3.045 -8.464 326 H PHE 875 H PHE 875 -4.270 -0.715 -6.896 327 HA PHE 875 HA PHE 875 -6.037 1.057 -7.946 328 1HB PHE 875 1HB PHE 875 -3.579 1.842 -6.346 329 2HB PHE 875 2HB PHE 875 -5.104 2.738 -6.448 330 HD1 PHE 875 1HD PHE 875 -4.494 2.401 -3.819 331 HD2 PHE 875 2HD PHE 875 -6.000 -0.625 -6.470 332 HE1 PHE 875 1HE PHE 875 -5.365 1.132 -1.875 333 HE2 PHE 875 2HE PHE 875 -6.871 -1.894 -4.526 334 HZ PHE 875 HZ PHE 875 -6.554 -1.016 -2.228 335 H ASP 876 H ASP 876 -2.490 1.083 -8.500 336 HA ASP 876 HA ASP 876 -2.198 1.731 -11.025 337 1HB ASP 876 1HB ASP 876 -3.657 3.982 -9.727 338 2HB ASP 876 2HB ASP 876 -2.345 4.426 -10.839 339 H GLY 877 H GLY 877 -1.124 1.604 -8.008 340 1HA GLY 877 1HA GLY 877 1.161 3.454 -8.304 341 2HA GLY 877 2HA GLY 877 0.738 2.500 -6.864 342 H ASP 878 H ASP 878 2.667 1.425 -6.534 343 HA ASP 878 HA ASP 878 3.209 -0.806 -8.313 344 1HB ASP 878 1HB ASP 878 4.857 1.673 -8.362 345 2HB ASP 878 2HB ASP 878 5.749 0.140 -8.271 346 H LEU 879 H LEU 879 4.943 -2.212 -7.404 347 HA LEU 879 HA LEU 879 5.424 -1.687 -4.517 348 1HB LEU 879 1HB LEU 879 3.901 -3.889 -5.793 349 2HB LEU 879 2HB LEU 879 5.109 -4.403 -4.592 350 HG LEU 879 HG LEU 879 4.079 -3.218 -2.854 351 1HD1 LEU 879 1HD1 LEU 879 2.333 -1.427 -3.347 352 2HD1 LEU 879 2HD1 LEU 879 3.993 -1.026 -3.848 353 3HD1 LEU 879 3HD1 LEU 879 2.802 -1.556 -5.060 354 1HD2 LEU 879 1HD2 LEU 879 2.421 -4.774 -3.012 355 2HD2 LEU 879 2HD2 LEU 879 1.438 -3.414 -3.607 356 3HD2 LEU 879 3HD2 LEU 879 2.221 -4.519 -4.762 357 H VAL 880 H VAL 880 7.511 -1.949 -3.969 358 HA VAL 880 HA VAL 880 9.254 -3.380 -5.915 359 HB VAL 880 HB VAL 880 10.635 -1.726 -3.954 360 1HG1 VAL 880 1HG1 VAL 880 10.351 -1.449 -6.974 361 2HG1 VAL 880 2HG1 VAL 880 11.682 -0.848 -5.956 362 3HG1 VAL 880 3HG1 VAL 880 11.456 -2.599 -6.183 363 1HG2 VAL 880 1HG2 VAL 880 9.641 0.358 -5.418 364 2HG2 VAL 880 2HG2 VAL 880 8.184 -0.652 -5.256 365 3HG2 VAL 880 3HG2 VAL 880 9.044 -0.090 -3.802 366 H GLN 881 H GLN 881 10.662 -4.963 -5.187 367 HA GLN 881 HA GLN 881 9.902 -6.298 -2.745 368 1HB GLN 881 1HB GLN 881 12.304 -6.777 -4.549 369 2HB GLN 881 2HB GLN 881 11.587 -7.924 -3.392 370 1HG GLN 881 1HG GLN 881 9.996 -8.544 -4.867 371 2HG GLN 881 2HG GLN 881 9.580 -6.854 -5.225 372 1HE2 GLN 881 1HE2 GLN 881 9.966 -6.162 -7.252 373 2HE2 GLN 881 2HE2 GLN 881 11.115 -6.871 -8.366 374 H GLU 882 H GLU 882 10.846 -6.259 -0.757 375 HA GLU 882 HA GLU 882 12.097 -4.246 0.403 376 1HB GLU 882 1HB GLU 882 11.682 -6.269 1.638 377 2HB GLU 882 2HB GLU 882 12.872 -7.173 0.671 378 1HG GLU 882 1HG GLU 882 14.303 -4.965 1.628 379 2HG GLU 882 2HG GLU 882 13.282 -5.444 3.002 380 H PHE 883 H PHE 883 14.271 -6.853 -0.809 381 HA PHE 883 HA PHE 883 16.544 -5.138 -0.889 382 1HB PHE 883 1HB PHE 883 17.635 -6.985 -1.988 383 2HB PHE 883 2HB PHE 883 16.584 -7.621 -0.711 384 HD1 PHE 883 1HD PHE 883 14.519 -8.833 -1.266 385 HD2 PHE 883 2HD PHE 883 17.179 -7.413 -4.326 386 HE1 PHE 883 1HE PHE 883 13.408 -10.312 -2.918 387 HE2 PHE 883 2HE PHE 883 16.068 -8.892 -5.978 388 HZ PHE 883 HZ PHE 883 14.182 -10.341 -5.274 389 H ASP 884 H ASP 884 14.155 -4.073 -2.298 390 HA ASP 884 HA ASP 884 15.534 -3.133 -4.663 391 1HB ASP 884 1HB ASP 884 13.172 -5.024 -4.915 392 2HB ASP 884 2HB ASP 884 13.675 -3.917 -6.211 393 H MET 885 H MET 885 15.186 -1.057 -3.922 394 HA MET 885 HA MET 885 12.446 -0.063 -4.227 395 1HB MET 885 1HB MET 885 13.128 1.179 -1.868 396 2HB MET 885 2HB MET 885 12.037 -0.220 -2.003 397 1HG MET 885 1HG MET 885 14.067 -1.708 -1.814 398 2HG MET 885 2HG MET 885 15.027 -0.260 -1.464 399 1HE MET 885 1HE MET 885 13.327 -3.203 0.809 400 2HE MET 885 2HE MET 885 11.780 -2.326 0.859 401 3HE MET 885 3HE MET 885 12.535 -2.709 -0.707 402 H THR 886 H THR 886 15.889 0.512 -3.468 403 HA THR 886 HA THR 886 16.627 2.926 -3.458 404 HB THR 886 HB THR 886 18.224 2.667 -5.178 405 HG1 THR 886 1HG THR 886 16.529 0.793 -6.453 406 1HG2 THR 886 1HG2 THR 886 18.097 0.795 -3.426 407 2HG2 THR 886 2HG2 THR 886 17.322 -0.194 -4.687 408 3HG2 THR 886 3HG2 THR 886 18.980 0.409 -4.923 409 H SER 887 H SER 887 14.784 1.875 -6.374 410 HA SER 887 HA SER 887 14.253 4.721 -6.989 411 1HB SER 887 1HB SER 887 14.405 2.182 -8.492 412 2HB SER 887 2HB SER 887 13.038 3.223 -8.955 413 HG SER 887 HG SER 887 14.943 4.890 -8.744 414 H ALA 888 H ALA 888 12.834 1.945 -5.496 415 HA ALA 888 HA ALA 888 10.148 2.078 -6.037 416 1HB ALA 888 1HB ALA 888 11.632 1.685 -3.421 417 2HB ALA 888 2HB ALA 888 9.865 1.512 -3.547 418 3HB ALA 888 3HB ALA 888 10.934 0.448 -4.493 419 H THR 889 H THR 889 8.398 3.010 -4.486 420 HA THR 889 HA THR 889 8.967 5.914 -4.247 421 HB THR 889 HB THR 889 7.026 4.848 -5.658 422 HG1 THR 889 1HG THR 889 6.883 6.962 -5.503 423 1HG2 THR 889 1HG2 THR 889 5.009 5.020 -3.790 424 2HG2 THR 889 2HG2 THR 889 5.728 3.496 -4.363 425 3HG2 THR 889 3HG2 THR 889 6.302 4.238 -2.850 426 H HIS 890 H HIS 890 7.285 3.220 -2.534 427 HA HIS 890 HA HIS 890 8.015 4.568 0.015 428 1HB HIS 890 1HB HIS 890 5.404 3.111 -0.262 429 2HB HIS 890 2HB HIS 890 5.868 4.394 0.871 430 HD1 HIS 890 1HD HIS 890 6.954 6.095 -1.940 431 HD2 HIS 890 2HD HIS 890 3.164 4.710 -0.741 432 HE1 HIS 890 1HE HIS 890 5.226 7.513 -3.181 433 H VAL 891 H VAL 891 7.514 2.916 1.898 434 HA VAL 891 HA VAL 891 8.041 0.137 1.073 435 HB VAL 891 HB VAL 891 9.912 0.234 2.954 436 1HG1 VAL 891 1HG1 VAL 891 9.890 0.664 0.031 437 2HG1 VAL 891 2HG1 VAL 891 11.373 1.242 0.828 438 3HG1 VAL 891 3HG1 VAL 891 10.868 -0.455 1.010 439 1HG2 VAL 891 1HG2 VAL 891 9.531 3.087 2.038 440 2HG2 VAL 891 2HG2 VAL 891 9.864 2.463 3.671 441 3HG2 VAL 891 3HG2 VAL 891 11.161 2.502 2.452 442 H LEU 892 H LEU 892 6.102 -0.528 1.966 443 HA LEU 892 HA LEU 892 4.973 0.366 4.370 444 1HB LEU 892 1HB LEU 892 4.259 -1.387 2.416 445 2HB LEU 892 2HB LEU 892 4.675 -2.521 3.724 446 HG LEU 892 HG LEU 892 3.159 -0.266 4.768 447 1HD1 LEU 892 1HD1 LEU 892 2.385 -1.143 2.145 448 2HD1 LEU 892 2HD1 LEU 892 1.173 -1.734 3.307 449 3HD1 LEU 892 3HD1 LEU 892 1.547 0.004 3.218 450 1HD2 LEU 892 1HD2 LEU 892 1.599 -2.437 5.152 451 2HD2 LEU 892 2HD2 LEU 892 3.125 -3.259 4.747 452 3HD2 LEU 892 3HD2 LEU 892 3.060 -2.127 6.120 453 H GLY 893 H GLY 893 5.336 -0.021 6.501 454 1HA GLY 893 1HA GLY 893 6.099 -1.248 8.360 455 2HA GLY 893 2HA GLY 893 7.053 -2.290 7.279 456 H SER 894 H SER 894 9.064 -1.476 6.400 457 HA SER 894 HA SER 894 10.193 0.744 8.040 458 1HB SER 894 1HB SER 894 11.416 -1.830 6.997 459 2HB SER 894 2HB SER 894 12.398 -0.465 7.582 460 HG SER 894 HG SER 894 11.883 -2.041 9.208 461 H ARG 895 H ARG 895 12.554 1.136 6.668 462 HA ARG 895 HA ARG 895 11.797 1.635 3.852 463 1HB ARG 895 1HB ARG 895 12.678 3.990 4.100 464 2HB ARG 895 2HB ARG 895 11.141 3.685 4.945 465 1HG ARG 895 1HG ARG 895 12.115 4.387 6.853 466 2HG ARG 895 2HG ARG 895 13.197 2.975 6.769 467 1HD ARG 895 1HD ARG 895 14.721 4.288 5.281 468 2HD ARG 895 2HD ARG 895 13.668 5.703 5.498 469 HE ARG 895 HE ARG 895 14.715 4.448 7.952 470 1HH1 ARG 895 2HH2 ARG 895 14.967 6.986 5.503 471 2HH1 ARG 895 1HH2 ARG 895 15.943 8.041 6.500 472 1HH2 ARG 895 2HH1 ARG 895 16.005 5.842 9.269 473 2HH2 ARG 895 1HH1 ARG 895 16.534 7.389 8.647 474 H ASP 896 H ASP 896 14.180 1.341 6.445 475 HA ASP 896 HA ASP 896 16.596 1.854 5.720 476 1HB ASP 896 1HB ASP 896 16.449 0.177 7.344 477 2HB ASP 896 2HB ASP 896 15.492 -0.893 6.297 478 H LYS 897 H LYS 897 15.531 -1.199 4.163 479 HA LYS 897 HA LYS 897 17.241 -1.450 2.138 480 1HB LYS 897 1HB LYS 897 14.689 -1.674 0.869 481 2HB LYS 897 2HB LYS 897 15.703 -2.971 1.547 482 1HG LYS 897 1HG LYS 897 13.643 -3.133 2.728 483 2HG LYS 897 2HG LYS 897 14.738 -2.280 3.843 484 1HD LYS 897 1HD LYS 897 13.789 -0.114 2.692 485 2HD LYS 897 2HD LYS 897 12.453 -1.181 2.198 486 1HE LYS 897 1HE LYS 897 12.818 -1.834 4.873 487 2HE LYS 897 2HE LYS 897 13.106 -0.081 4.851 488 1HZ LYS 897 1HZ LYS 897 10.743 -1.023 5.084 489 2HZ LYS 897 2HZ LYS 897 11.011 0.318 4.161 490 3HZ LYS 897 3HZ LYS 897 10.809 -1.152 3.441 491 H ASN 898 H ASN 898 14.736 1.075 2.312 492 HA ASN 898 HA ASN 898 16.225 2.669 0.376 493 1HB ASN 898 1HB ASN 898 14.676 1.054 -0.923 494 2HB ASN 898 2HB ASN 898 13.340 2.032 -0.277 495 1HD2 ASN 898 1HD2 ASN 898 12.684 2.937 -2.237 496 2HD2 ASN 898 2HD2 ASN 898 13.672 4.066 -3.140 497 HA PRO 899 HA PRO 899 14.298 5.210 3.598 498 1HB PRO 899 1HB PRO 899 16.228 7.133 3.628 499 2HB PRO 899 2HB PRO 899 16.490 5.519 4.366 500 1HG PRO 899 1HG PRO 899 17.303 6.424 1.589 501 2HG PRO 899 2HG PRO 899 18.343 5.651 2.830 502 1HD PRO 899 1HD PRO 899 17.163 4.190 0.855 503 2HD PRO 899 2HD PRO 899 17.261 3.549 2.523 504 H ALA 900 H ALA 900 15.041 5.599 0.257 505 HA ALA 900 HA ALA 900 13.968 8.314 0.053 506 1HB ALA 900 1HB ALA 900 14.343 7.973 -2.367 507 2HB ALA 900 2HB ALA 900 15.794 7.561 -1.422 508 3HB ALA 900 3HB ALA 900 14.752 6.267 -2.061 509 H ALA 901 H ALA 901 12.663 5.258 0.505 510 HA ALA 901 HA ALA 901 10.275 5.811 -1.162 511 1HB ALA 901 1HB ALA 901 10.571 3.596 -1.522 512 2HB ALA 901 2HB ALA 901 11.637 3.418 -0.108 513 3HB ALA 901 3HB ALA 901 9.870 3.386 0.101 514 H GLN 902 H GLN 902 8.243 6.122 -0.277 515 HA GLN 902 HA GLN 902 8.108 7.329 2.287 516 1HB GLN 902 1HB GLN 902 6.372 6.795 0.045 517 2HB GLN 902 2HB GLN 902 5.530 6.379 1.557 518 1HG GLN 902 1HG GLN 902 6.639 9.027 0.647 519 2HG GLN 902 2HG GLN 902 5.068 8.657 1.392 520 1HE2 GLN 902 1HE2 GLN 902 6.078 7.032 3.561 521 2HE2 GLN 902 2HE2 GLN 902 6.899 8.101 4.678 522 H GLN 903 H GLN 903 8.057 6.458 4.270 523 HA GLN 903 HA GLN 903 7.757 3.549 4.525 524 1HB GLN 903 1HB GLN 903 9.347 5.405 5.770 525 2HB GLN 903 2HB GLN 903 8.032 5.218 6.955 526 1HG GLN 903 1HG GLN 903 8.325 2.710 6.744 527 2HG GLN 903 2HG GLN 903 9.773 3.025 5.765 528 1HE2 GLN 903 1HE2 GLN 903 11.542 2.624 6.973 529 2HE2 GLN 903 2HE2 GLN 903 11.787 3.162 8.621 530 H VAL 904 H VAL 904 5.452 3.659 3.788 531 HA VAL 904 HA VAL 904 3.565 4.851 5.691 532 HB VAL 904 HB VAL 904 2.118 4.745 3.960 533 1HG1 VAL 904 1HG1 VAL 904 4.299 3.561 2.235 534 2HG1 VAL 904 2HG1 VAL 904 3.131 4.845 1.845 535 3HG1 VAL 904 3HG1 VAL 904 4.498 5.186 2.933 536 1HG2 VAL 904 1HG2 VAL 904 1.981 2.574 2.539 537 2HG2 VAL 904 2HG2 VAL 904 3.084 1.879 3.750 538 3HG2 VAL 904 3HG2 VAL 904 1.484 2.480 4.246 539 H SER 905 H SER 905 1.566 3.244 6.115 540 HA SER 905 HA SER 905 2.708 0.673 7.095 541 1HB SER 905 1HB SER 905 1.977 1.047 9.220 542 2HB SER 905 2HB SER 905 2.103 2.757 8.743 543 HG SER 905 HG SER 905 -0.099 2.641 8.113 544 HA PRO 906 HA PRO 906 -0.964 -1.330 5.704 545 1HB PRO 906 1HB PRO 906 -2.174 -2.539 7.825 546 2HB PRO 906 2HB PRO 906 -0.525 -2.999 7.289 547 1HG PRO 906 1HG PRO 906 -1.265 -1.056 9.495 548 2HG PRO 906 2HG PRO 906 -0.142 -2.450 9.605 549 1HD PRO 906 1HD PRO 906 0.769 0.076 9.137 550 2HD PRO 906 2HD PRO 906 1.492 -1.322 8.284 551 H GLU 907 H GLU 907 -1.529 0.795 8.516 552 HA GLU 907 HA GLU 907 -4.360 1.065 8.079 553 1HB GLU 907 1HB GLU 907 -2.314 2.722 9.599 554 2HB GLU 907 2HB GLU 907 -4.064 3.049 9.616 555 1HG GLU 907 1HG GLU 907 -4.174 1.582 11.332 556 2HG GLU 907 2HG GLU 907 -3.923 0.315 10.112 557 H TRP 908 H TRP 908 -1.491 2.479 6.665 558 HA TRP 908 HA TRP 908 -2.676 4.908 5.724 559 1HB TRP 908 1HB TRP 908 -0.269 4.588 5.876 560 2HB TRP 908 2HB TRP 908 -0.342 3.251 4.721 561 HD1 TRP 908 HD TRP 908 -0.750 7.064 4.893 562 HE1 TRP 908 1HE TRP 908 -0.302 8.080 2.601 563 HE3 TRP 908 3HE TRP 908 -0.249 2.751 2.183 564 HZ2 TRP 908 2HZ TRP 908 0.212 7.145 -0.089 565 HZ3 TRP 908 3HZ TRP 908 0.219 2.854 -0.238 566 HH2 TRP 908 HH TRP 908 0.451 5.036 -1.386 567 H ILE 909 H ILE 909 -1.948 1.798 4.037 568 HA ILE 909 HA ILE 909 -3.042 2.311 1.573 569 HB ILE 909 HB ILE 909 -2.768 -0.105 3.302 570 1HG1 ILE 909 1HG1 ILE 909 -2.116 -0.410 0.506 571 2HG1 ILE 909 2HG1 ILE 909 -1.470 1.143 1.089 572 1HG2 ILE 909 1HG2 ILE 909 -4.041 -1.527 1.844 573 2HG2 ILE 909 2HG2 ILE 909 -5.114 -0.178 2.288 574 3HG2 ILE 909 3HG2 ILE 909 -4.326 -0.201 0.692 575 1HD1 ILE 909 1HD1 ILE 909 -0.717 -1.636 1.835 576 2HD1 ILE 909 2HD1 ILE 909 0.262 -0.149 1.834 577 3HD1 ILE 909 3HD1 ILE 909 -0.839 -0.490 3.191 578 H TRP 910 H TRP 910 -4.857 1.023 4.421 579 HA TRP 910 HA TRP 910 -7.397 1.043 3.215 580 1HB TRP 910 1HB TRP 910 -6.851 1.686 6.117 581 2HB TRP 910 2HB TRP 910 -8.260 0.872 5.423 582 HD1 TRP 910 HD TRP 910 -5.578 0.031 7.511 583 HE1 TRP 910 1HE TRP 910 -4.805 -2.388 7.325 584 HE3 TRP 910 3HE TRP 910 -7.738 -1.163 3.027 585 HZ2 TRP 910 2HZ TRP 910 -5.084 -4.584 5.460 586 HZ3 TRP 910 3HZ TRP 910 -7.462 -3.424 2.080 587 HH2 TRP 910 HH TRP 910 -6.141 -5.142 3.280 588 H ALA 911 H ALA 911 -6.189 3.469 5.600 589 HA ALA 911 HA ALA 911 -8.164 5.371 5.256 590 1HB ALA 911 1HB ALA 911 -6.692 5.886 6.960 591 2HB ALA 911 2HB ALA 911 -5.258 5.454 5.998 592 3HB ALA 911 3HB ALA 911 -6.098 6.995 5.701 593 H CYS 912 H CYS 912 -5.413 4.622 3.151 594 HA CYS 912 HA CYS 912 -5.665 6.979 1.513 595 1HB CYS 912 1HB CYS 912 -4.415 4.271 0.896 596 2HB CYS 912 2HB CYS 912 -4.124 5.795 0.022 597 HG CYS 912 HG CYS 912 -2.544 4.588 2.285 598 H ILE 913 H ILE 913 -6.022 3.618 0.326 599 HA ILE 913 HA ILE 913 -7.587 4.086 -1.854 600 HB ILE 913 HB ILE 913 -6.799 1.869 -1.346 601 1HG1 ILE 913 1HG1 ILE 913 -9.840 1.908 -1.134 602 2HG1 ILE 913 2HG1 ILE 913 -8.919 2.058 -2.650 603 1HG2 ILE 913 1HG2 ILE 913 -7.816 2.500 1.259 604 2HG2 ILE 913 2HG2 ILE 913 -8.640 1.027 0.695 605 3HG2 ILE 913 3HG2 ILE 913 -6.862 1.082 0.764 606 1HD1 ILE 913 1HD1 ILE 913 -8.474 -0.168 -2.727 607 2HD1 ILE 913 2HD1 ILE 913 -8.091 -0.238 -0.990 608 3HD1 ILE 913 3HD1 ILE 913 -9.784 -0.327 -1.533 609 H ARG 914 H ARG 914 -8.707 3.850 1.542 610 HA ARG 914 HA ARG 914 -11.492 4.081 0.916 611 1HB ARG 914 1HB ARG 914 -10.280 3.281 3.088 612 2HB ARG 914 2HB ARG 914 -10.241 5.012 3.503 613 1HG ARG 914 1HG ARG 914 -12.846 3.949 2.502 614 2HG ARG 914 2HG ARG 914 -12.333 3.393 4.113 615 1HD ARG 914 1HD ARG 914 -11.777 5.974 4.450 616 2HD ARG 914 2HD ARG 914 -12.981 6.171 3.158 617 HE ARG 914 HE ARG 914 -14.649 5.589 4.650 618 1HH1 ARG 914 2HH2 ARG 914 -11.485 4.661 5.926 619 2HH1 ARG 914 1HH2 ARG 914 -12.100 4.210 7.500 620 1HH2 ARG 914 2HH1 ARG 914 -15.461 4.993 6.730 621 2HH2 ARG 914 1HH1 ARG 914 -14.366 4.399 7.959 622 H LYS 915 H LYS 915 -8.842 6.373 1.277 623 HA LYS 915 HA LYS 915 -10.699 8.655 1.407 624 1HB LYS 915 1HB LYS 915 -7.695 8.303 1.556 625 2HB LYS 915 2HB LYS 915 -8.435 9.910 1.353 626 1HG LYS 915 1HG LYS 915 -9.355 8.011 3.531 627 2HG LYS 915 2HG LYS 915 -7.967 9.098 3.774 628 1HD LYS 915 1HD LYS 915 -9.314 11.049 3.425 629 2HD LYS 915 2HD LYS 915 -10.669 10.085 2.791 630 1HE LYS 915 1HE LYS 915 -11.443 10.305 4.933 631 2HE LYS 915 2HE LYS 915 -10.378 8.911 5.214 632 1HZ LYS 915 1HZ LYS 915 -8.645 10.533 5.780 633 2HZ LYS 915 2HZ LYS 915 -9.770 11.736 5.705 634 3HZ LYS 915 3HZ LYS 915 -9.924 10.533 6.822 635 H ARG 916 H ARG 916 -9.309 6.647 -0.945 636 HA ARG 916 HA ARG 916 -9.256 6.782 -3.231 637 1HB ARG 916 1HB ARG 916 -11.062 9.072 -2.502 638 2HB ARG 916 2HB ARG 916 -10.477 8.939 -4.178 639 1HG ARG 916 1HG ARG 916 -12.578 7.732 -4.013 640 2HG ARG 916 2HG ARG 916 -11.267 6.540 -4.183 641 1HD ARG 916 1HD ARG 916 -12.771 5.799 -2.420 642 2HD ARG 916 2HD ARG 916 -11.232 6.301 -1.687 643 HE ARG 916 HE ARG 916 -12.599 8.581 -1.450 644 1HH1 ARG 916 2HH2 ARG 916 -13.635 5.241 -0.926 645 2HH1 ARG 916 1HH2 ARG 916 -14.814 5.654 0.298 646 1HH2 ARG 916 2HH1 ARG 916 -14.157 9.127 0.167 647 2HH2 ARG 916 1HH1 ARG 916 -15.112 7.870 0.921 648 H ARG 917 H ARG 917 -7.718 8.839 -1.131 649 HA ARG 917 HA ARG 917 -5.879 9.726 -3.261 650 1HB ARG 917 1HB ARG 917 -5.965 11.952 -1.636 651 2HB ARG 917 2HB ARG 917 -6.789 11.799 -3.206 652 1HG ARG 917 1HG ARG 917 -8.179 10.674 -0.799 653 2HG ARG 917 2HG ARG 917 -8.119 12.446 -0.959 654 1HD ARG 917 1HD ARG 917 -8.895 12.046 -3.402 655 2HD ARG 917 2HD ARG 917 -9.322 10.410 -2.855 656 HE ARG 917 HE ARG 917 -10.412 12.376 -1.072 657 1HH1 ARG 917 2HH2 ARG 917 -10.802 10.964 -4.290 658 2HH1 ARG 917 1HH2 ARG 917 -12.520 11.282 -4.371 659 1HH2 ARG 917 2HH1 ARG 917 -12.682 12.795 -1.179 660 2HH2 ARG 917 1HH1 ARG 917 -13.592 12.325 -2.596 661 H LEU 918 H LEU 918 -3.914 9.051 -2.658 662 HA LEU 918 HA LEU 918 -3.125 7.806 -0.404 663 1HB LEU 918 1HB LEU 918 -1.678 9.755 -2.196 664 2HB LEU 918 2HB LEU 918 -0.845 9.048 -0.790 665 HG LEU 918 HG LEU 918 -0.456 7.204 -2.029 666 1HD1 LEU 918 1HD1 LEU 918 -2.477 5.774 -2.634 667 2HD1 LEU 918 2HD1 LEU 918 -2.375 6.256 -0.923 668 3HD1 LEU 918 3HD1 LEU 918 -3.497 7.097 -2.019 669 1HD2 LEU 918 1HD2 LEU 918 -2.357 8.510 -4.014 670 2HD2 LEU 918 2HD2 LEU 918 -0.578 8.481 -4.068 671 3HD2 LEU 918 3HD2 LEU 918 -1.502 6.984 -4.343 672 H VAL 919 H VAL 919 -3.093 8.205 1.724 673 HA VAL 919 HA VAL 919 -3.427 11.007 2.615 674 HB VAL 919 HB VAL 919 -4.443 10.144 4.504 675 1HG1 VAL 919 1HG1 VAL 919 -5.055 8.839 2.051 676 2HG1 VAL 919 2HG1 VAL 919 -5.098 7.587 3.316 677 3HG1 VAL 919 3HG1 VAL 919 -6.113 9.041 3.467 678 1HG2 VAL 919 1HG2 VAL 919 -2.357 8.825 5.108 679 2HG2 VAL 919 2HG2 VAL 919 -3.891 8.032 5.542 680 3HG2 VAL 919 3HG2 VAL 919 -2.989 7.499 4.103 681 H ALA 920 H ALA 920 -2.384 10.850 5.174 682 HA ALA 920 HA ALA 920 0.406 11.262 4.659 683 1HB ALA 920 1HB ALA 920 -0.773 10.835 7.406 684 2HB ALA 920 2HB ALA 920 0.512 11.955 6.895 685 3HB ALA 920 3HB ALA 920 -1.183 12.290 6.466 686 HA PRO 921 HA PRO 921 1.433 6.915 4.989 687 1HB PRO 921 1HB PRO 921 4.014 7.150 4.147 688 2HB PRO 921 2HB PRO 921 2.631 7.340 3.021 689 1HG PRO 921 1HG PRO 921 4.149 9.538 4.455 690 2HG PRO 921 2HG PRO 921 3.804 9.421 2.699 691 1HD PRO 921 1HD PRO 921 2.220 10.885 4.364 692 2HD PRO 921 2HD PRO 921 1.496 9.905 3.053 693 H CYS 922 H CYS 922 2.063 5.875 6.807 694 HA CYS 922 HA CYS 922 2.650 6.921 9.206 695 1HB CYS 922 1HB CYS 922 2.458 4.578 9.113 696 2HB CYS 922 2HB CYS 922 3.720 4.429 7.864 697 HG CYS 922 HG CYS 922 4.335 3.502 10.372 Start of MODEL 15 1 H GLY 835 H GLY 835 -11.520 -3.804 11.149 2 1HA GLY 835 1HA GLY 835 -13.819 -2.200 11.319 3 2HA GLY 835 2HA GLY 835 -12.714 -1.663 12.604 4 H SER 836 H SER 836 -12.802 -2.441 9.088 5 HA SER 836 HA SER 836 -11.939 -0.103 8.034 6 1HB SER 836 1HB SER 836 -9.690 -1.489 9.440 7 2HB SER 836 2HB SER 836 -9.342 -0.750 7.858 8 HG SER 836 HG SER 836 -10.779 1.006 9.097 9 H ALA 837 H ALA 837 -9.559 -2.594 7.459 10 HA ALA 837 HA ALA 837 -9.914 -2.921 4.790 11 1HB ALA 837 1HB ALA 837 -8.787 -4.991 4.981 12 2HB ALA 837 2HB ALA 837 -8.268 -4.076 6.417 13 3HB ALA 837 3HB ALA 837 -9.512 -5.339 6.569 14 H ASP 838 H ASP 838 -11.416 -5.249 7.108 15 HA ASP 838 HA ASP 838 -13.090 -6.570 5.387 16 1HB ASP 838 1HB ASP 838 -13.938 -5.614 8.141 17 2HB ASP 838 2HB ASP 838 -14.457 -7.087 7.294 18 H GLU 839 H GLU 839 -13.577 -3.332 6.821 19 HA GLU 839 HA GLU 839 -16.242 -3.041 5.731 20 1HB GLU 839 1HB GLU 839 -14.392 -1.555 7.430 21 2HB GLU 839 2HB GLU 839 -15.193 -0.493 6.247 22 1HG GLU 839 1HG GLU 839 -17.072 -2.422 7.359 23 2HG GLU 839 2HG GLU 839 -16.283 -1.492 8.651 24 H THR 840 H THR 840 -12.945 -2.446 4.633 25 HA THR 840 HA THR 840 -13.864 -0.810 2.374 26 HB THR 840 HB THR 840 -11.079 -1.920 2.725 27 HG1 THR 840 1HG THR 840 -10.740 -0.028 4.044 28 1HG2 THR 840 1HG2 THR 840 -11.847 -0.546 0.715 29 2HG2 THR 840 2HG2 THR 840 -12.076 0.815 1.839 30 3HG2 THR 840 3HG2 THR 840 -10.455 0.116 1.605 31 H LEU 841 H LEU 841 -12.254 -3.989 2.916 32 HA LEU 841 HA LEU 841 -12.349 -4.759 0.164 33 1HB LEU 841 1HB LEU 841 -11.779 -6.048 2.799 34 2HB LEU 841 2HB LEU 841 -12.211 -7.122 1.447 35 HG LEU 841 HG LEU 841 -9.720 -5.724 1.939 36 1HD1 LEU 841 1HD1 LEU 841 -9.997 -7.192 -0.592 37 2HD1 LEU 841 2HD1 LEU 841 -8.964 -7.540 0.816 38 3HD1 LEU 841 3HD1 LEU 841 -10.656 -8.093 0.795 39 1HD2 LEU 841 1HD2 LEU 841 -9.409 -4.754 -0.313 40 2HD2 LEU 841 2HD2 LEU 841 -11.098 -5.141 -0.718 41 3HD2 LEU 841 3HD2 LEU 841 -10.739 -3.942 0.547 42 H CYS 842 H CYS 842 -14.830 -4.211 2.334 43 HA CYS 842 HA CYS 842 -16.576 -6.384 2.033 44 1HB CYS 842 1HB CYS 842 -16.653 -3.897 3.227 45 2HB CYS 842 2HB CYS 842 -17.849 -3.721 1.919 46 HG CYS 842 HG CYS 842 -19.091 -4.402 4.094 47 H GLN 843 H GLN 843 -15.246 -4.402 -0.375 48 HA GLN 843 HA GLN 843 -17.504 -5.037 -2.217 49 1HB GLN 843 1HB GLN 843 -15.429 -2.924 -2.775 50 2HB GLN 843 2HB GLN 843 -17.106 -3.044 -3.358 51 1HG GLN 843 1HG GLN 843 -17.150 -2.942 -0.488 52 2HG GLN 843 2HG GLN 843 -16.113 -1.624 -1.075 53 1HE2 GLN 843 1HE2 GLN 843 -19.368 -2.899 -0.871 54 2HE2 GLN 843 2HE2 GLN 843 -20.183 -1.535 -1.607 55 H THR 844 H THR 844 -16.453 -7.212 -2.335 56 HA THR 844 HA THR 844 -15.192 -8.734 -3.486 57 HB THR 844 HB THR 844 -15.696 -6.580 -5.274 58 HG1 THR 844 1HG THR 844 -16.329 -8.653 -5.680 59 1HG2 THR 844 1HG2 THR 844 -13.508 -5.854 -5.534 60 2HG2 THR 844 2HG2 THR 844 -12.820 -7.437 -5.102 61 3HG2 THR 844 3HG2 THR 844 -13.526 -7.185 -6.716 62 H LYS 845 H LYS 845 -13.257 -5.743 -4.035 63 HA LYS 845 HA LYS 845 -11.246 -6.625 -2.110 64 1HB LYS 845 1HB LYS 845 -11.053 -7.408 -4.859 65 2HB LYS 845 2HB LYS 845 -9.809 -6.174 -4.547 66 1HG LYS 845 1HG LYS 845 -8.776 -8.233 -3.953 67 2HG LYS 845 2HG LYS 845 -9.273 -7.515 -2.402 68 1HD LYS 845 1HD LYS 845 -11.352 -9.179 -3.699 69 2HD LYS 845 2HD LYS 845 -9.892 -10.075 -3.215 70 1HE LYS 845 1HE LYS 845 -10.074 -9.248 -0.937 71 2HE LYS 845 2HE LYS 845 -11.420 -8.179 -1.389 72 1HZ LYS 845 1HZ LYS 845 -11.494 -11.104 -1.588 73 2HZ LYS 845 2HZ LYS 845 -12.102 -10.242 -0.321 74 3HZ LYS 845 3HZ LYS 845 -12.748 -10.061 -1.827 75 H VAL 846 H VAL 846 -13.038 -4.314 -3.658 76 HA VAL 846 HA VAL 846 -12.779 -2.046 -4.053 77 HB VAL 846 HB VAL 846 -11.617 -1.030 -1.860 78 1HG1 VAL 846 1HG1 VAL 846 -14.194 -2.524 -1.416 79 2HG1 VAL 846 2HG1 VAL 846 -13.774 -0.843 -1.008 80 3HG1 VAL 846 3HG1 VAL 846 -14.130 -1.287 -2.695 81 1HG2 VAL 846 1HG2 VAL 846 -11.432 -2.500 -0.063 82 2HG2 VAL 846 2HG2 VAL 846 -12.569 -3.672 -0.770 83 3HG2 VAL 846 3HG2 VAL 846 -10.909 -3.551 -1.401 84 H LEU 847 H LEU 847 -11.492 -0.900 -5.367 85 HA LEU 847 HA LEU 847 -8.611 -0.756 -4.816 86 1HB LEU 847 1HB LEU 847 -9.538 -1.633 -7.562 87 2HB LEU 847 2HB LEU 847 -7.894 -1.659 -6.880 88 HG LEU 847 HG LEU 847 -9.035 -3.924 -6.970 89 1HD1 LEU 847 1HD1 LEU 847 -8.736 -3.960 -4.184 90 2HD1 LEU 847 2HD1 LEU 847 -7.452 -4.234 -5.385 91 3HD1 LEU 847 3HD1 LEU 847 -7.709 -2.606 -4.713 92 1HD2 LEU 847 1HD2 LEU 847 -11.117 -4.165 -6.140 93 2HD2 LEU 847 2HD2 LEU 847 -10.590 -3.544 -4.557 94 3HD2 LEU 847 3HD2 LEU 847 -11.151 -2.415 -5.813 95 H LEU 848 H LEU 848 -9.604 1.424 -4.327 96 HA LEU 848 HA LEU 848 -10.504 2.981 -6.623 97 1HB LEU 848 1HB LEU 848 -10.272 3.301 -3.685 98 2HB LEU 848 2HB LEU 848 -10.002 4.788 -4.626 99 HG LEU 848 HG LEU 848 -12.344 2.977 -5.253 100 1HD1 LEU 848 1HD1 LEU 848 -11.898 4.386 -2.773 101 2HD1 LEU 848 2HD1 LEU 848 -13.209 5.189 -3.670 102 3HD1 LEU 848 3HD1 LEU 848 -13.327 3.456 -3.283 103 1HD2 LEU 848 1HD2 LEU 848 -12.894 4.656 -6.662 104 2HD2 LEU 848 2HD2 LEU 848 -12.681 5.880 -5.387 105 3HD2 LEU 848 3HD2 LEU 848 -11.281 5.338 -6.343 106 H ASP 849 H ASP 849 -9.380 5.285 -6.776 107 HA ASP 849 HA ASP 849 -6.662 4.733 -7.647 108 1HB ASP 849 1HB ASP 849 -8.070 7.416 -7.511 109 2HB ASP 849 2HB ASP 849 -6.744 6.925 -8.587 110 H ILE 850 H ILE 850 -6.641 4.169 -5.000 111 HA ILE 850 HA ILE 850 -5.981 6.463 -3.372 112 HB ILE 850 HB ILE 850 -4.919 3.890 -2.469 113 1HG1 ILE 850 1HG1 ILE 850 -6.766 3.187 -4.099 114 2HG1 ILE 850 2HG1 ILE 850 -6.964 2.638 -2.417 115 1HG2 ILE 850 1HG2 ILE 850 -5.881 6.179 -1.347 116 2HG2 ILE 850 2HG2 ILE 850 -7.329 5.148 -1.249 117 3HG2 ILE 850 3HG2 ILE 850 -5.808 4.621 -0.489 118 1HD1 ILE 850 1HD1 ILE 850 -8.241 5.009 -2.237 119 2HD1 ILE 850 2HD1 ILE 850 -8.518 4.676 -3.964 120 3HD1 ILE 850 3HD1 ILE 850 -9.071 3.515 -2.733 121 H PHE 851 H PHE 851 -3.723 3.849 -3.140 122 HA PHE 851 HA PHE 851 -1.446 5.444 -3.236 123 1HB PHE 851 1HB PHE 851 -1.364 2.638 -4.298 124 2HB PHE 851 2HB PHE 851 -0.246 3.461 -3.198 125 HD1 PHE 851 1HD PHE 851 -2.637 0.949 -3.377 126 HD2 PHE 851 2HD PHE 851 -1.492 4.272 -0.908 127 HE1 PHE 851 1HE PHE 851 -3.778 -0.097 -1.440 128 HE2 PHE 851 2HE PHE 851 -2.633 3.226 1.029 129 HZ PHE 851 HZ PHE 851 -3.776 1.041 0.763 130 H THR 852 H THR 852 -2.815 6.603 -5.255 131 HA THR 852 HA THR 852 -2.490 5.682 -7.860 132 HB THR 852 HB THR 852 -2.072 8.349 -8.172 133 HG1 THR 852 1HG THR 852 -2.440 9.384 -6.391 134 1HG2 THR 852 1HG2 THR 852 -4.773 8.229 -7.503 135 2HG2 THR 852 2HG2 THR 852 -4.076 7.814 -9.087 136 3HG2 THR 852 3HG2 THR 852 -4.373 6.537 -7.883 137 H GLY 853 H GLY 853 -0.715 4.931 -8.849 138 1HA GLY 853 1HA GLY 853 1.500 4.649 -9.407 139 2HA GLY 853 2HA GLY 853 1.558 6.426 -9.408 140 H VAL 854 H VAL 854 0.660 4.851 -6.434 141 HA VAL 854 HA VAL 854 2.931 5.972 -5.060 142 HB VAL 854 HB VAL 854 0.529 4.313 -4.366 143 1HG1 VAL 854 1HG1 VAL 854 1.518 4.276 -1.972 144 2HG1 VAL 854 2HG1 VAL 854 2.134 3.072 -3.130 145 3HG1 VAL 854 3HG1 VAL 854 3.094 4.524 -2.760 146 1HG2 VAL 854 1HG2 VAL 854 1.806 6.933 -3.534 147 2HG2 VAL 854 2HG2 VAL 854 0.187 6.648 -4.216 148 3HG2 VAL 854 3HG2 VAL 854 0.543 6.170 -2.539 149 H ARG 855 H ARG 855 4.571 4.800 -3.894 150 HA ARG 855 HA ARG 855 5.141 2.125 -5.085 151 1HB ARG 855 1HB ARG 855 6.994 4.435 -4.404 152 2HB ARG 855 2HB ARG 855 7.570 2.782 -4.729 153 1HG ARG 855 1HG ARG 855 6.296 2.883 -6.928 154 2HG ARG 855 2HG ARG 855 6.026 4.613 -6.607 155 1HD ARG 855 1HD ARG 855 8.803 3.405 -6.519 156 2HD ARG 855 2HD ARG 855 8.082 3.946 -8.050 157 HE ARG 855 HE ARG 855 9.238 5.608 -6.032 158 1HH1 ARG 855 2HH2 ARG 855 6.492 5.413 -8.251 159 2HH1 ARG 855 1HH2 ARG 855 6.314 7.147 -8.399 160 1HH2 ARG 855 2HH1 ARG 855 9.002 7.898 -6.228 161 2HH2 ARG 855 1HH1 ARG 855 7.745 8.564 -7.246 162 H LEU 856 H LEU 856 3.586 2.024 -2.920 163 HA LEU 856 HA LEU 856 5.112 2.070 -0.450 164 1HB LEU 856 1HB LEU 856 2.777 2.538 -0.289 165 2HB LEU 856 2HB LEU 856 2.348 1.095 -1.238 166 HG LEU 856 HG LEU 856 2.370 1.203 1.513 167 1HD1 LEU 856 1HD1 LEU 856 1.363 -0.732 0.920 168 2HD1 LEU 856 2HD1 LEU 856 2.280 -0.814 -0.604 169 3HD1 LEU 856 3HD1 LEU 856 2.984 -1.468 0.894 170 1HD2 LEU 856 1HD2 LEU 856 4.382 0.648 2.406 171 2HD2 LEU 856 2HD2 LEU 856 4.724 -0.530 1.116 172 3HD2 LEU 856 3HD2 LEU 856 5.065 1.197 0.856 173 H TYR 857 H TYR 857 6.593 0.573 0.054 174 HA TYR 857 HA TYR 857 6.691 -1.967 -1.335 175 1HB TYR 857 1HB TYR 857 8.820 -1.433 -0.811 176 2HB TYR 857 2HB TYR 857 8.332 -0.402 0.545 177 HD1 TYR 857 1HD TYR 857 7.672 -4.045 -0.022 178 HD2 TYR 857 2HD TYR 857 9.692 -1.069 2.327 179 HE1 TYR 857 1HE TYR 857 8.402 -5.799 1.572 180 HE2 TYR 857 2HE TYR 857 10.421 -2.823 3.921 181 HH TYR 857 HH TYR 857 9.819 -5.104 4.642 182 H LEU 858 H LEU 858 4.984 -3.305 -0.894 183 HA LEU 858 HA LEU 858 3.979 -3.594 1.825 184 1HB LEU 858 1HB LEU 858 2.546 -3.726 -0.230 185 2HB LEU 858 2HB LEU 858 3.384 -5.234 -0.667 186 HG LEU 858 HG LEU 858 2.249 -6.445 0.885 187 1HD1 LEU 858 1HD1 LEU 858 2.630 -4.024 2.688 188 2HD1 LEU 858 2HD1 LEU 858 1.749 -5.484 3.198 189 3HD1 LEU 858 3HD1 LEU 858 3.473 -5.589 2.769 190 1HD2 LEU 858 1HD2 LEU 858 0.418 -4.203 1.588 191 2HD2 LEU 858 2HD2 LEU 858 0.614 -4.521 -0.152 192 3HD2 LEU 858 3HD2 LEU 858 0.048 -5.815 0.932 193 HA PRO 859 HA PRO 859 7.166 -6.637 2.676 194 1HB PRO 859 1HB PRO 859 6.740 -6.766 5.364 195 2HB PRO 859 2HB PRO 859 7.508 -5.339 4.596 196 1HG PRO 859 1HG PRO 859 4.584 -5.687 5.316 197 2HG PRO 859 2HG PRO 859 5.659 -4.322 5.761 198 1HD PRO 859 1HD PRO 859 4.014 -4.188 3.592 199 2HD PRO 859 2HD PRO 859 5.671 -3.514 3.517 200 HA PRO 860 HA PRO 860 4.615 -10.239 2.587 201 1HB PRO 860 1HB PRO 860 6.447 -12.149 3.234 202 2HB PRO 860 2HB PRO 860 6.557 -11.212 1.709 203 1HG PRO 860 1HG PRO 860 7.987 -10.644 4.321 204 2HG PRO 860 2HG PRO 860 8.718 -10.789 2.689 205 1HD PRO 860 1HD PRO 860 8.065 -8.362 3.744 206 2HD PRO 860 2HD PRO 860 7.779 -8.705 2.011 207 H SER 861 H SER 861 6.307 -9.092 5.420 208 HA SER 861 HA SER 861 5.095 -11.054 7.217 209 1HB SER 861 1HB SER 861 7.248 -9.153 7.287 210 2HB SER 861 2HB SER 861 6.123 -8.784 8.616 211 HG SER 861 HG SER 861 7.780 -10.415 9.048 212 H THR 862 H THR 862 4.205 -8.086 5.710 213 HA THR 862 HA THR 862 2.523 -7.027 7.773 214 HB THR 862 HB THR 862 3.117 -6.529 4.928 215 HG1 THR 862 1HG THR 862 2.773 -4.385 5.762 216 1HG2 THR 862 1HG2 THR 862 1.037 -5.437 4.383 217 2HG2 THR 862 2HG2 THR 862 0.632 -7.086 4.916 218 3HG2 THR 862 3HG2 THR 862 0.397 -5.710 6.021 219 HA PRO 863 HA PRO 863 -0.835 -9.874 7.526 220 1HB PRO 863 1HB PRO 863 -2.713 -8.442 8.885 221 2HB PRO 863 2HB PRO 863 -1.244 -9.080 9.693 222 1HG PRO 863 1HG PRO 863 -1.658 -6.298 8.562 223 2HG PRO 863 2HG PRO 863 -1.094 -6.730 10.210 224 1HD PRO 863 1HD PRO 863 0.665 -6.127 8.218 225 2HD PRO 863 2HD PRO 863 1.017 -7.452 9.369 226 H ASP 864 H ASP 864 -2.798 -10.163 6.365 227 HA ASP 864 HA ASP 864 -4.362 -9.744 4.741 228 1HB ASP 864 1HB ASP 864 -3.958 -7.179 6.031 229 2HB ASP 864 2HB ASP 864 -4.245 -6.956 4.291 230 H PHE 865 H PHE 865 -1.148 -9.474 4.496 231 HA PHE 865 HA PHE 865 -0.352 -8.072 2.316 232 1HB PHE 865 1HB PHE 865 0.860 -9.878 3.727 233 2HB PHE 865 2HB PHE 865 0.267 -11.022 2.511 234 HD1 PHE 865 1HD PHE 865 1.808 -11.593 0.895 235 HD2 PHE 865 2HD PHE 865 1.867 -7.611 2.506 236 HE1 PHE 865 1HE PHE 865 3.728 -11.028 -0.570 237 HE2 PHE 865 2HE PHE 865 3.786 -7.047 1.041 238 HZ PHE 865 HZ PHE 865 4.717 -8.755 -0.497 239 H SER 866 H SER 866 -2.088 -11.229 2.179 240 HA SER 866 HA SER 866 -2.237 -11.903 -0.376 241 1HB SER 866 1HB SER 866 -4.142 -11.883 1.819 242 2HB SER 866 2HB SER 866 -4.976 -11.693 0.258 243 HG SER 866 HG SER 866 -4.668 -13.877 0.713 244 H ARG 867 H ARG 867 -4.849 -9.653 0.610 245 HA ARG 867 HA ARG 867 -5.064 -8.609 -2.067 246 1HB ARG 867 1HB ARG 867 -6.203 -7.389 0.467 247 2HB ARG 867 2HB ARG 867 -6.849 -7.302 -1.190 248 1HG ARG 867 1HG ARG 867 -7.945 -9.263 -0.947 249 2HG ARG 867 2HG ARG 867 -6.485 -10.072 -0.328 250 1HD ARG 867 1HD ARG 867 -7.041 -9.695 1.865 251 2HD ARG 867 2HD ARG 867 -7.806 -8.131 1.513 252 HE ARG 867 HE ARG 867 -9.841 -9.203 1.302 253 1HH1 ARG 867 2HH2 ARG 867 -7.203 -11.544 1.051 254 2HH1 ARG 867 1HH2 ARG 867 -8.260 -12.939 1.041 255 1HH2 ARG 867 2HH1 ARG 867 -11.236 -11.045 1.289 256 2HH2 ARG 867 1HH1 ARG 867 -10.559 -12.654 1.177 257 H LEU 868 H LEU 868 -3.665 -7.443 1.019 258 HA LEU 868 HA LEU 868 -3.100 -4.844 0.598 259 1HB LEU 868 1HB LEU 868 -1.645 -7.102 1.839 260 2HB LEU 868 2HB LEU 868 -0.623 -5.707 1.413 261 HG LEU 868 HG LEU 868 -2.557 -5.979 3.571 262 1HD1 LEU 868 1HD1 LEU 868 -1.373 -3.407 3.543 263 2HD1 LEU 868 2HD1 LEU 868 -0.818 -4.838 4.444 264 3HD1 LEU 868 3HD1 LEU 868 -0.169 -4.502 2.821 265 1HD2 LEU 868 1HD2 LEU 868 -4.058 -4.919 1.852 266 2HD2 LEU 868 2HD2 LEU 868 -3.762 -3.883 3.268 267 3HD2 LEU 868 3HD2 LEU 868 -2.905 -3.568 1.740 268 H ARG 869 H ARG 869 -1.241 -7.547 -0.890 269 HA ARG 869 HA ARG 869 0.469 -5.817 -2.407 270 1HB ARG 869 1HB ARG 869 0.870 -8.251 -1.763 271 2HB ARG 869 2HB ARG 869 -0.284 -8.689 -3.046 272 1HG ARG 869 1HG ARG 869 1.246 -8.312 -4.668 273 2HG ARG 869 2HG ARG 869 1.690 -6.734 -3.974 274 1HD ARG 869 1HD ARG 869 3.602 -8.328 -3.985 275 2HD ARG 869 2HD ARG 869 3.151 -7.827 -2.341 276 HE ARG 869 HE ARG 869 2.392 -9.995 -1.885 277 1HH1 ARG 869 2HH2 ARG 869 3.265 -9.597 -5.288 278 2HH1 ARG 869 1HH2 ARG 869 3.233 -11.310 -5.638 279 1HH2 ARG 869 2HH1 ARG 869 2.350 -12.259 -2.348 280 2HH2 ARG 869 1HH1 ARG 869 2.712 -12.828 -3.962 281 H ARG 870 H ARG 870 -1.672 -8.232 -3.935 282 HA ARG 870 HA ARG 870 -1.998 -7.066 -6.366 283 1HB ARG 870 1HB ARG 870 -3.372 -9.022 -4.798 284 2HB ARG 870 2HB ARG 870 -4.598 -7.974 -5.549 285 1HG ARG 870 1HG ARG 870 -4.003 -9.857 -7.042 286 2HG ARG 870 2HG ARG 870 -3.524 -8.299 -7.757 287 1HD ARG 870 1HD ARG 870 -1.399 -9.017 -7.884 288 2HD ARG 870 2HD ARG 870 -1.361 -9.198 -6.117 289 HE ARG 870 HE ARG 870 -2.687 -11.458 -7.109 290 1HH1 ARG 870 2HH2 ARG 870 0.482 -9.918 -7.398 291 2HH1 ARG 870 1HH2 ARG 870 1.339 -11.419 -7.665 292 1HH2 ARG 870 2HH1 ARG 870 -1.555 -13.441 -7.462 293 2HH2 ARG 870 1HH1 ARG 870 0.178 -13.428 -7.702 294 H TYR 871 H TYR 871 -4.236 -6.459 -3.593 295 HA TYR 871 HA TYR 871 -5.874 -4.557 -4.673 296 1HB TYR 871 1HB TYR 871 -5.842 -5.475 -2.314 297 2HB TYR 871 2HB TYR 871 -4.574 -4.295 -1.946 298 HD1 TYR 871 1HD TYR 871 -5.496 -2.691 -0.539 299 HD2 TYR 871 2HD TYR 871 -7.719 -3.993 -3.975 300 HE1 TYR 871 1HE TYR 871 -7.226 -0.978 -0.068 301 HE2 TYR 871 2HE TYR 871 -9.449 -2.280 -3.505 302 HH TYR 871 HH TYR 871 -9.961 -0.391 -2.255 303 H PHE 872 H PHE 872 -2.836 -3.706 -2.907 304 HA PHE 872 HA PHE 872 -2.776 -1.007 -3.582 305 1HB PHE 872 1HB PHE 872 -1.275 -2.326 -2.003 306 2HB PHE 872 2HB PHE 872 -0.342 -2.805 -3.431 307 HD1 PHE 872 1HD PHE 872 -0.312 -0.632 -0.773 308 HD2 PHE 872 2HD PHE 872 0.103 -0.590 -5.048 309 HE1 PHE 872 1HE PHE 872 0.988 1.475 -0.626 310 HE2 PHE 872 2HE PHE 872 1.403 1.517 -4.902 311 HZ PHE 872 HZ PHE 872 1.846 2.549 -2.691 312 H VAL 873 H VAL 873 -0.146 -2.846 -5.023 313 HA VAL 873 HA VAL 873 0.338 -1.479 -7.250 314 HB VAL 873 HB VAL 873 1.635 -3.365 -7.189 315 1HG1 VAL 873 1HG1 VAL 873 0.590 -5.672 -6.763 316 2HG1 VAL 873 2HG1 VAL 873 0.522 -4.517 -5.411 317 3HG1 VAL 873 3HG1 VAL 873 -0.924 -4.806 -6.407 318 1HG2 VAL 873 1HG2 VAL 873 -0.458 -4.731 -8.865 319 2HG2 VAL 873 2HG2 VAL 873 0.208 -3.181 -9.432 320 3HG2 VAL 873 3HG2 VAL 873 1.291 -4.564 -9.150 321 H ALA 874 H ALA 874 -2.508 -3.591 -6.819 322 HA ALA 874 HA ALA 874 -3.491 -3.539 -9.449 323 1HB ALA 874 1HB ALA 874 -4.829 -3.690 -6.732 324 2HB ALA 874 2HB ALA 874 -5.755 -3.784 -8.250 325 3HB ALA 874 3HB ALA 874 -4.513 -5.007 -7.888 326 H PHE 875 H PHE 875 -4.386 -1.370 -6.698 327 HA PHE 875 HA PHE 875 -6.112 0.361 -7.824 328 1HB PHE 875 1HB PHE 875 -3.621 1.206 -6.307 329 2HB PHE 875 2HB PHE 875 -5.118 2.140 -6.466 330 HD1 PHE 875 1HD PHE 875 -4.541 1.987 -3.826 331 HD2 PHE 875 2HD PHE 875 -6.080 -1.209 -6.248 332 HE1 PHE 875 1HE PHE 875 -5.440 0.882 -1.796 333 HE2 PHE 875 2HE PHE 875 -6.979 -2.314 -4.218 334 HZ PHE 875 HZ PHE 875 -6.659 -1.269 -1.992 335 H ASP 876 H ASP 876 -2.547 0.512 -8.330 336 HA ASP 876 HA ASP 876 -2.310 0.948 -10.942 337 1HB ASP 876 1HB ASP 876 -3.774 3.245 -9.752 338 2HB ASP 876 2HB ASP 876 -2.450 3.664 -10.861 339 H GLY 877 H GLY 877 -1.144 0.891 -7.995 340 1HA GLY 877 1HA GLY 877 1.151 2.715 -8.457 341 2HA GLY 877 2HA GLY 877 0.715 1.936 -6.920 342 H ASP 878 H ASP 878 2.727 0.962 -6.560 343 HA ASP 878 HA ASP 878 3.140 -1.533 -7.995 344 1HB ASP 878 1HB ASP 878 4.341 0.624 -9.153 345 2HB ASP 878 2HB ASP 878 5.595 0.135 -7.992 346 H LEU 879 H LEU 879 4.650 -2.919 -6.895 347 HA LEU 879 HA LEU 879 5.412 -1.922 -4.191 348 1HB LEU 879 1HB LEU 879 4.583 -4.774 -4.766 349 2HB LEU 879 2HB LEU 879 4.666 -3.927 -3.203 350 HG LEU 879 HG LEU 879 2.628 -3.607 -5.425 351 1HD1 LEU 879 1HD1 LEU 879 1.371 -4.791 -3.978 352 2HD1 LEU 879 2HD1 LEU 879 2.743 -4.873 -2.847 353 3HD1 LEU 879 3HD1 LEU 879 1.591 -3.520 -2.752 354 1HD2 LEU 879 1HD2 LEU 879 2.519 -1.392 -5.014 355 2HD2 LEU 879 2HD2 LEU 879 2.071 -1.770 -3.333 356 3HD2 LEU 879 3HD2 LEU 879 3.780 -1.526 -3.764 357 H VAL 880 H VAL 880 7.556 -1.960 -3.918 358 HA VAL 880 HA VAL 880 9.164 -3.714 -5.680 359 HB VAL 880 HB VAL 880 10.626 -1.933 -3.879 360 1HG1 VAL 880 1HG1 VAL 880 11.281 -3.092 -6.110 361 2HG1 VAL 880 2HG1 VAL 880 10.373 -1.780 -6.897 362 3HG1 VAL 880 3HG1 VAL 880 11.782 -1.400 -5.878 363 1HG2 VAL 880 1HG2 VAL 880 8.982 -0.312 -3.876 364 2HG2 VAL 880 2HG2 VAL 880 9.728 0.061 -5.448 365 3HG2 VAL 880 3HG2 VAL 880 8.239 -0.912 -5.378 366 H GLN 881 H GLN 881 10.397 -5.379 -4.916 367 HA GLN 881 HA GLN 881 9.738 -6.551 -2.421 368 1HB GLN 881 1HB GLN 881 12.264 -7.026 -4.042 369 2HB GLN 881 2HB GLN 881 11.430 -8.166 -2.958 370 1HG GLN 881 1HG GLN 881 9.995 -8.789 -4.584 371 2HG GLN 881 2HG GLN 881 9.622 -7.100 -4.989 372 1HE2 GLN 881 1HE2 GLN 881 10.474 -6.201 -6.821 373 2HE2 GLN 881 2HE2 GLN 881 11.627 -7.000 -7.868 374 H GLU 882 H GLU 882 10.529 -6.304 -0.397 375 HA GLU 882 HA GLU 882 11.726 -4.192 0.661 376 1HB GLU 882 1HB GLU 882 11.148 -6.203 1.953 377 2HB GLU 882 2HB GLU 882 12.560 -7.054 1.281 378 1HG GLU 882 1HG GLU 882 13.759 -4.794 2.209 379 2HG GLU 882 2HG GLU 882 12.419 -4.931 3.368 380 H PHE 883 H PHE 883 13.881 -6.939 -0.254 381 HA PHE 883 HA PHE 883 16.219 -5.301 -0.270 382 1HB PHE 883 1HB PHE 883 17.332 -7.237 -1.075 383 2HB PHE 883 2HB PHE 883 16.068 -7.811 0.026 384 HD1 PHE 883 1HD PHE 883 14.069 -8.954 -0.837 385 HD2 PHE 883 2HD PHE 883 17.242 -7.700 -3.447 386 HE1 PHE 883 1HE PHE 883 13.180 -10.424 -2.625 387 HE2 PHE 883 2HE PHE 883 16.353 -9.170 -5.235 388 HZ PHE 883 HZ PHE 883 14.321 -10.532 -4.824 389 H ASP 884 H ASP 884 13.689 -4.756 -2.106 390 HA ASP 884 HA ASP 884 15.344 -3.895 -4.401 391 1HB ASP 884 1HB ASP 884 12.773 -5.507 -4.602 392 2HB ASP 884 2HB ASP 884 13.576 -4.699 -5.966 393 H MET 885 H MET 885 15.147 -1.759 -3.646 394 HA MET 885 HA MET 885 12.488 -0.581 -4.160 395 1HB MET 885 1HB MET 885 13.223 0.857 -1.969 396 2HB MET 885 2HB MET 885 12.132 -0.548 -1.908 397 1HG MET 885 1HG MET 885 14.276 -1.963 -1.677 398 2HG MET 885 2HG MET 885 15.101 -0.436 -1.326 399 1HE MET 885 1HE MET 885 12.358 -2.784 -0.652 400 2HE MET 885 2HE MET 885 12.237 -2.919 1.119 401 3HE MET 885 3HE MET 885 11.324 -1.657 0.258 402 H THR 886 H THR 886 15.989 -0.276 -3.621 403 HA THR 886 HA THR 886 16.882 2.114 -3.834 404 HB THR 886 HB THR 886 18.465 1.527 -5.484 405 HG1 THR 886 1HG THR 886 17.913 -0.125 -7.041 406 1HG2 THR 886 1HG2 THR 886 19.092 -0.685 -4.888 407 2HG2 THR 886 2HG2 THR 886 18.141 -0.107 -3.499 408 3HG2 THR 886 3HG2 THR 886 17.399 -1.201 -4.692 409 H SER 887 H SER 887 15.019 0.822 -6.640 410 HA SER 887 HA SER 887 14.687 3.586 -7.628 411 1HB SER 887 1HB SER 887 14.615 0.855 -8.761 412 2HB SER 887 2HB SER 887 13.351 1.944 -9.381 413 HG SER 887 HG SER 887 15.338 3.465 -9.434 414 H ALA 888 H ALA 888 13.103 1.274 -5.664 415 HA ALA 888 HA ALA 888 10.407 1.534 -6.281 416 1HB ALA 888 1HB ALA 888 11.846 1.346 -3.613 417 2HB ALA 888 2HB ALA 888 10.076 1.246 -3.772 418 3HB ALA 888 3HB ALA 888 11.110 0.028 -4.556 419 H THR 889 H THR 889 9.263 2.737 -3.917 420 HA THR 889 HA THR 889 10.081 5.534 -3.895 421 HB THR 889 HB THR 889 8.422 4.818 -5.962 422 HG1 THR 889 1HG THR 889 9.117 6.815 -6.050 423 1HG2 THR 889 1HG2 THR 889 6.164 5.266 -5.426 424 2HG2 THR 889 2HG2 THR 889 6.723 4.263 -4.066 425 3HG2 THR 889 3HG2 THR 889 6.590 6.028 -3.874 426 H HIS 890 H HIS 890 7.634 3.040 -3.114 427 HA HIS 890 HA HIS 890 7.255 4.414 -0.494 428 1HB HIS 890 1HB HIS 890 5.339 2.987 -2.333 429 2HB HIS 890 2HB HIS 890 5.018 3.074 -0.591 430 HD1 HIS 890 1HD HIS 890 5.007 5.251 -3.711 431 HD2 HIS 890 2HD HIS 890 4.517 5.539 0.459 432 HE1 HIS 890 1HE HIS 890 3.990 7.551 -3.247 433 H VAL 891 H VAL 891 7.060 3.069 1.364 434 HA VAL 891 HA VAL 891 7.655 0.201 1.001 435 HB VAL 891 HB VAL 891 9.495 0.399 2.719 436 1HG1 VAL 891 1HG1 VAL 891 11.092 1.577 1.004 437 2HG1 VAL 891 2HG1 VAL 891 10.269 0.074 0.523 438 3HG1 VAL 891 3HG1 VAL 891 9.646 1.647 -0.032 439 1HG2 VAL 891 1HG2 VAL 891 10.509 2.630 3.032 440 2HG2 VAL 891 2HG2 VAL 891 9.226 3.359 2.035 441 3HG2 VAL 891 3HG2 VAL 891 8.824 2.618 3.603 442 H LEU 892 H LEU 892 6.360 -0.940 2.312 443 HA LEU 892 HA LEU 892 4.776 0.441 4.321 444 1HB LEU 892 1HB LEU 892 4.485 -1.831 2.717 445 2HB LEU 892 2HB LEU 892 4.673 -2.482 4.363 446 HG LEU 892 HG LEU 892 2.939 -0.107 4.268 447 1HD1 LEU 892 1HD1 LEU 892 2.390 -2.501 2.510 448 2HD1 LEU 892 2HD1 LEU 892 1.038 -1.666 3.311 449 3HD1 LEU 892 3HD1 LEU 892 2.094 -0.775 2.189 450 1HD2 LEU 892 1HD2 LEU 892 2.543 -2.981 5.208 451 2HD2 LEU 892 2HD2 LEU 892 3.178 -1.645 6.199 452 3HD2 LEU 892 3HD2 LEU 892 1.498 -1.598 5.613 453 H GLY 893 H GLY 893 5.369 0.766 6.379 454 1HA GLY 893 1HA GLY 893 6.552 0.592 8.342 455 2HA GLY 893 2HA GLY 893 6.414 -1.165 8.106 456 H SER 894 H SER 894 8.573 1.379 8.462 457 HA SER 894 HA SER 894 10.882 1.315 8.483 458 1HB SER 894 1HB SER 894 10.310 -1.438 7.388 459 2HB SER 894 2HB SER 894 11.965 -0.783 7.344 460 HG SER 894 HG SER 894 11.615 -1.887 9.277 461 H ARG 895 H ARG 895 12.724 1.451 6.847 462 HA ARG 895 HA ARG 895 11.777 1.853 4.078 463 1HB ARG 895 1HB ARG 895 12.916 4.106 4.061 464 2HB ARG 895 2HB ARG 895 11.436 4.037 5.048 465 1HG ARG 895 1HG ARG 895 12.640 4.018 7.075 466 2HG ARG 895 2HG ARG 895 14.145 3.490 6.284 467 1HD ARG 895 1HD ARG 895 14.772 5.622 5.934 468 2HD ARG 895 2HD ARG 895 13.235 5.982 5.119 469 HE ARG 895 HE ARG 895 13.114 5.898 8.049 470 1HH1 ARG 895 2HH2 ARG 895 13.564 7.835 5.126 471 2HH1 ARG 895 1HH2 ARG 895 13.132 9.345 5.895 472 1HH2 ARG 895 2HH1 ARG 895 12.542 7.894 9.065 473 2HH2 ARG 895 1HH1 ARG 895 12.549 9.379 8.141 474 H ASP 896 H ASP 896 14.362 1.570 6.490 475 HA ASP 896 HA ASP 896 16.732 1.732 5.534 476 1HB ASP 896 1HB ASP 896 16.538 0.214 7.312 477 2HB ASP 896 2HB ASP 896 15.424 -0.842 6.416 478 H LYS 897 H LYS 897 15.169 -1.269 4.321 479 HA LYS 897 HA LYS 897 16.682 -1.873 2.199 480 1HB LYS 897 1HB LYS 897 14.052 -1.954 1.134 481 2HB LYS 897 2HB LYS 897 14.947 -3.270 1.931 482 1HG LYS 897 1HG LYS 897 13.022 -3.089 3.266 483 2HG LYS 897 2HG LYS 897 14.196 -2.087 4.151 484 1HD LYS 897 1HD LYS 897 13.285 -0.118 2.720 485 2HD LYS 897 2HD LYS 897 11.919 -1.200 2.356 486 1HE LYS 897 1HE LYS 897 12.027 -1.536 5.031 487 2HE LYS 897 2HE LYS 897 12.698 0.106 4.932 488 1HZ LYS 897 1HZ LYS 897 10.214 -0.171 5.123 489 2HZ LYS 897 2HZ LYS 897 10.781 0.885 3.989 490 3HZ LYS 897 3HZ LYS 897 10.240 -0.605 3.532 491 H ASN 898 H ASN 898 14.498 0.928 2.377 492 HA ASN 898 HA ASN 898 15.952 2.202 0.203 493 1HB ASN 898 1HB ASN 898 13.752 0.628 -0.498 494 2HB ASN 898 2HB ASN 898 13.097 2.278 -0.427 495 1HD2 ASN 898 1HD2 ASN 898 12.927 2.863 -2.547 496 2HD2 ASN 898 2HD2 ASN 898 14.255 2.855 -3.687 497 HA PRO 899 HA PRO 899 14.515 5.151 3.336 498 1HB PRO 899 1HB PRO 899 16.627 6.856 3.103 499 2HB PRO 899 2HB PRO 899 16.773 5.281 3.947 500 1HG PRO 899 1HG PRO 899 17.487 5.894 1.065 501 2HG PRO 899 2HG PRO 899 18.524 5.107 2.300 502 1HD PRO 899 1HD PRO 899 17.074 3.641 0.518 503 2HD PRO 899 2HD PRO 899 17.217 3.114 2.222 504 H ALA 900 H ALA 900 15.005 5.187 -0.058 505 HA ALA 900 HA ALA 900 14.173 7.988 -0.388 506 1HB ALA 900 1HB ALA 900 15.856 7.191 -1.913 507 2HB ALA 900 2HB ALA 900 14.890 5.752 -2.318 508 3HB ALA 900 3HB ALA 900 14.345 7.365 -2.838 509 H ALA 901 H ALA 901 12.678 5.082 0.312 510 HA ALA 901 HA ALA 901 10.329 5.536 -1.405 511 1HB ALA 901 1HB ALA 901 10.777 3.445 0.756 512 2HB ALA 901 2HB ALA 901 9.553 3.422 -0.536 513 3HB ALA 901 3HB ALA 901 11.277 3.241 -0.940 514 H GLN 902 H GLN 902 8.437 4.508 0.562 515 HA GLN 902 HA GLN 902 8.343 6.812 2.450 516 1HB GLN 902 1HB GLN 902 6.325 5.798 0.475 517 2HB GLN 902 2HB GLN 902 5.738 6.411 2.039 518 1HG GLN 902 1HG GLN 902 7.490 7.887 0.034 519 2HG GLN 902 2HG GLN 902 5.800 8.251 0.444 520 1HE2 GLN 902 1HE2 GLN 902 6.081 7.755 3.308 521 2HE2 GLN 902 2HE2 GLN 902 7.006 9.087 3.966 522 H GLN 903 H GLN 903 7.934 6.288 4.535 523 HA GLN 903 HA GLN 903 7.629 3.432 5.162 524 1HB GLN 903 1HB GLN 903 8.229 5.937 6.759 525 2HB GLN 903 2HB GLN 903 7.878 4.379 7.545 526 1HG GLN 903 1HG GLN 903 9.961 3.644 7.121 527 2HG GLN 903 2HG GLN 903 9.765 3.982 5.388 528 1HE2 GLN 903 1HE2 GLN 903 10.493 5.968 4.517 529 2HE2 GLN 903 2HE2 GLN 903 11.556 7.035 5.409 530 H VAL 904 H VAL 904 5.385 3.659 4.053 531 HA VAL 904 HA VAL 904 3.356 4.916 5.760 532 HB VAL 904 HB VAL 904 2.090 4.878 3.890 533 1HG1 VAL 904 1HG1 VAL 904 3.321 4.975 1.895 534 2HG1 VAL 904 2HG1 VAL 904 4.580 5.246 3.123 535 3HG1 VAL 904 3HG1 VAL 904 4.395 3.640 2.377 536 1HG2 VAL 904 1HG2 VAL 904 3.009 1.990 3.654 537 2HG2 VAL 904 2HG2 VAL 904 1.406 2.595 4.135 538 3HG2 VAL 904 3HG2 VAL 904 1.951 2.762 2.448 539 H SER 905 H SER 905 1.331 3.510 6.202 540 HA SER 905 HA SER 905 2.189 0.785 7.045 541 1HB SER 905 1HB SER 905 1.717 2.942 8.755 542 2HB SER 905 2HB SER 905 0.188 2.031 8.782 543 HG SER 905 HG SER 905 2.673 1.352 9.737 544 HA PRO 906 HA PRO 906 -1.753 -0.705 5.726 545 1HB PRO 906 1HB PRO 906 -3.126 -1.707 7.856 546 2HB PRO 906 2HB PRO 906 -1.559 -2.404 7.329 547 1HG PRO 906 1HG PRO 906 -2.016 -0.352 9.514 548 2HG PRO 906 2HG PRO 906 -1.105 -1.892 9.640 549 1HD PRO 906 1HD PRO 906 0.160 0.472 9.150 550 2HD PRO 906 2HD PRO 906 0.676 -1.024 8.313 551 H GLU 907 H GLU 907 -1.908 1.629 8.388 552 HA GLU 907 HA GLU 907 -4.703 2.249 8.076 553 1HB GLU 907 1HB GLU 907 -2.379 3.758 9.330 554 2HB GLU 907 2HB GLU 907 -4.084 4.256 9.448 555 1HG GLU 907 1HG GLU 907 -4.666 2.427 10.774 556 2HG GLU 907 2HG GLU 907 -3.315 1.436 10.182 557 H TRP 908 H TRP 908 -1.690 3.323 6.564 558 HA TRP 908 HA TRP 908 -2.748 5.716 5.395 559 1HB TRP 908 1HB TRP 908 -0.366 5.348 5.660 560 2HB TRP 908 2HB TRP 908 -0.437 3.905 4.639 561 HD1 TRP 908 HD TRP 908 -0.617 7.722 4.445 562 HE1 TRP 908 1HE TRP 908 -0.085 8.494 2.077 563 HE3 TRP 908 3HE TRP 908 -0.416 3.159 2.134 564 HZ2 TRP 908 2HZ TRP 908 0.373 7.287 -0.514 565 HZ3 TRP 908 3HZ TRP 908 0.070 3.011 -0.281 566 HH2 TRP 908 HH TRP 908 0.465 5.060 -1.616 567 H ILE 909 H ILE 909 -2.366 2.338 4.231 568 HA ILE 909 HA ILE 909 -3.270 2.725 1.600 569 HB ILE 909 HB ILE 909 -3.103 0.456 3.533 570 1HG1 ILE 909 1HG1 ILE 909 -2.390 -0.104 0.794 571 2HG1 ILE 909 2HG1 ILE 909 -1.719 1.479 1.254 572 1HG2 ILE 909 1HG2 ILE 909 -4.639 0.240 0.912 573 2HG2 ILE 909 2HG2 ILE 909 -4.350 -1.051 2.102 574 3HG2 ILE 909 3HG2 ILE 909 -5.415 0.315 2.512 575 1HD1 ILE 909 1HD1 ILE 909 -0.075 0.375 2.338 576 2HD1 ILE 909 2HD1 ILE 909 -1.305 -0.182 3.498 577 3HD1 ILE 909 3HD1 ILE 909 -0.891 -1.188 2.089 578 H TRP 910 H TRP 910 -5.143 1.873 4.564 579 HA TRP 910 HA TRP 910 -7.675 1.828 3.284 580 1HB TRP 910 1HB TRP 910 -7.112 2.626 6.148 581 2HB TRP 910 2HB TRP 910 -8.579 1.883 5.497 582 HD1 TRP 910 HD TRP 910 -5.841 0.995 7.561 583 HE1 TRP 910 1HE TRP 910 -5.297 -1.493 7.547 584 HE3 TRP 910 3HE TRP 910 -8.394 -0.364 3.339 585 HZ2 TRP 910 2HZ TRP 910 -5.892 -3.802 5.907 586 HZ3 TRP 910 3HZ TRP 910 -8.382 -2.713 2.583 587 HH2 TRP 910 HH TRP 910 -7.139 -4.440 3.852 588 H ALA 911 H ALA 911 -6.194 4.402 5.342 589 HA ALA 911 HA ALA 911 -8.165 6.347 4.895 590 1HB ALA 911 1HB ALA 911 -6.379 6.493 6.603 591 2HB ALA 911 2HB ALA 911 -5.174 6.731 5.315 592 3HB ALA 911 3HB ALA 911 -6.437 7.954 5.589 593 H CYS 912 H CYS 912 -5.427 5.308 2.900 594 HA CYS 912 HA CYS 912 -5.536 7.541 1.083 595 1HB CYS 912 1HB CYS 912 -4.356 4.743 0.899 596 2HB CYS 912 2HB CYS 912 -4.154 5.988 -0.360 597 HG CYS 912 HG CYS 912 -2.272 6.988 0.607 598 H ILE 913 H ILE 913 -6.158 4.091 0.279 599 HA ILE 913 HA ILE 913 -7.642 4.479 -2.001 600 HB ILE 913 HB ILE 913 -6.979 2.271 -1.295 601 1HG1 ILE 913 1HG1 ILE 913 -10.016 2.491 -1.149 602 2HG1 ILE 913 2HG1 ILE 913 -9.066 2.475 -2.655 603 1HG2 ILE 913 1HG2 ILE 913 -7.140 1.641 0.862 604 2HG2 ILE 913 2HG2 ILE 913 -7.974 3.170 1.229 605 3HG2 ILE 913 3HG2 ILE 913 -8.915 1.730 0.773 606 1HD1 ILE 913 1HD1 ILE 913 -8.455 0.273 -0.756 607 2HD1 ILE 913 2HD1 ILE 913 -10.088 0.230 -1.461 608 3HD1 ILE 913 3HD1 ILE 913 -8.659 0.232 -2.523 609 H ARG 914 H ARG 914 -8.780 4.614 1.391 610 HA ARG 914 HA ARG 914 -11.549 4.934 0.728 611 1HB ARG 914 1HB ARG 914 -10.567 4.207 2.953 612 2HB ARG 914 2HB ARG 914 -10.105 5.906 3.219 613 1HG ARG 914 1HG ARG 914 -12.735 6.163 2.443 614 2HG ARG 914 2HG ARG 914 -12.774 4.624 3.337 615 1HD ARG 914 1HD ARG 914 -11.232 6.077 5.022 616 2HD ARG 914 2HD ARG 914 -12.191 7.390 4.305 617 HE ARG 914 HE ARG 914 -13.845 5.163 5.123 618 1HH1 ARG 914 2HH2 ARG 914 -12.095 8.021 6.251 619 2HH1 ARG 914 1HH2 ARG 914 -13.122 8.268 7.646 620 1HH2 ARG 914 2HH1 ARG 914 -15.200 5.489 6.966 621 2HH2 ARG 914 1HH1 ARG 914 -14.892 6.823 8.054 622 H LYS 915 H LYS 915 -8.778 7.099 0.875 623 HA LYS 915 HA LYS 915 -10.530 9.472 0.747 624 1HB LYS 915 1HB LYS 915 -7.538 9.045 1.022 625 2HB LYS 915 2HB LYS 915 -8.259 10.650 0.750 626 1HG LYS 915 1HG LYS 915 -9.190 8.815 2.985 627 2HG LYS 915 2HG LYS 915 -7.851 9.967 3.201 628 1HD LYS 915 1HD LYS 915 -9.264 11.844 2.765 629 2HD LYS 915 2HD LYS 915 -10.562 10.812 2.120 630 1HE LYS 915 1HE LYS 915 -11.426 11.016 4.219 631 2HE LYS 915 2HE LYS 915 -10.258 9.734 4.609 632 1HZ LYS 915 1HZ LYS 915 -8.692 11.521 5.152 633 2HZ LYS 915 2HZ LYS 915 -9.905 12.623 4.967 634 3HZ LYS 915 3HZ LYS 915 -10.009 11.471 6.143 635 H ARG 916 H ARG 916 -9.474 7.170 -1.370 636 HA ARG 916 HA ARG 916 -9.143 7.098 -3.635 637 1HB ARG 916 1HB ARG 916 -11.319 8.783 -3.104 638 2HB ARG 916 2HB ARG 916 -10.338 9.682 -4.287 639 1HG ARG 916 1HG ARG 916 -10.820 6.742 -4.732 640 2HG ARG 916 2HG ARG 916 -12.128 7.892 -5.098 641 1HD ARG 916 1HD ARG 916 -9.280 8.103 -6.156 642 2HD ARG 916 2HD ARG 916 -10.649 7.427 -7.066 643 HE ARG 916 HE ARG 916 -10.156 10.260 -6.432 644 1HH1 ARG 916 2HH2 ARG 916 -12.370 7.773 -7.620 645 2HH1 ARG 916 1HH2 ARG 916 -13.399 8.902 -8.472 646 1HH2 ARG 916 2HH1 ARG 916 -11.515 11.752 -7.558 647 2HH2 ARG 916 1HH1 ARG 916 -12.912 11.171 -8.436 648 H ARG 917 H ARG 917 -7.525 9.124 -1.691 649 HA ARG 917 HA ARG 917 -5.696 9.918 -3.855 650 1HB ARG 917 1HB ARG 917 -5.792 12.206 -3.494 651 2HB ARG 917 2HB ARG 917 -7.500 11.766 -3.249 652 1HG ARG 917 1HG ARG 917 -7.008 13.093 -1.360 653 2HG ARG 917 2HG ARG 917 -6.819 11.431 -0.752 654 1HD ARG 917 1HD ARG 917 -4.696 11.904 -0.186 655 2HD ARG 917 2HD ARG 917 -4.323 12.182 -1.901 656 HE ARG 917 HE ARG 917 -4.914 14.222 0.148 657 1HH1 ARG 917 2HH2 ARG 917 -4.366 13.395 -3.246 658 2HH1 ARG 917 1HH2 ARG 917 -3.983 15.033 -3.725 659 1HH2 ARG 917 2HH1 ARG 917 -4.408 16.386 -0.486 660 2HH2 ARG 917 1HH1 ARG 917 -4.007 16.739 -2.151 661 H LEU 918 H LEU 918 -3.712 9.323 -3.230 662 HA LEU 918 HA LEU 918 -3.007 8.160 -0.853 663 1HB LEU 918 1HB LEU 918 -1.407 9.862 -2.785 664 2HB LEU 918 2HB LEU 918 -0.651 9.048 -1.394 665 HG LEU 918 HG LEU 918 -0.431 7.341 -2.921 666 1HD1 LEU 918 1HD1 LEU 918 -1.955 6.484 -1.186 667 2HD1 LEU 918 2HD1 LEU 918 -3.358 7.071 -2.111 668 3HD1 LEU 918 3HD1 LEU 918 -2.346 5.760 -2.764 669 1HD2 LEU 918 1HD2 LEU 918 -1.548 8.888 -4.678 670 2HD2 LEU 918 2HD2 LEU 918 -1.664 7.131 -4.938 671 3HD2 LEU 918 3HD2 LEU 918 -3.055 8.027 -4.281 672 H VAL 919 H VAL 919 -3.040 8.803 1.210 673 HA VAL 919 HA VAL 919 -3.082 11.697 1.789 674 HB VAL 919 HB VAL 919 -4.266 11.139 3.654 675 1HG1 VAL 919 1HG1 VAL 919 -5.804 9.494 3.131 676 2HG1 VAL 919 2HG1 VAL 919 -5.015 9.658 1.545 677 3HG1 VAL 919 3HG1 VAL 919 -4.551 8.331 2.636 678 1HG2 VAL 919 1HG2 VAL 919 -3.624 8.586 4.550 679 2HG2 VAL 919 2HG2 VAL 919 -2.072 9.192 3.925 680 3HG2 VAL 919 3HG2 VAL 919 -2.944 10.105 5.180 681 H ALA 920 H ALA 920 -2.045 11.617 4.407 682 HA ALA 920 HA ALA 920 0.765 11.810 3.837 683 1HB ALA 920 1HB ALA 920 -1.068 12.615 5.881 684 2HB ALA 920 2HB ALA 920 0.248 11.701 6.657 685 3HB ALA 920 3HB ALA 920 0.623 13.121 5.651 686 HA PRO 921 HA PRO 921 1.495 7.444 4.502 687 1HB PRO 921 1HB PRO 921 4.088 7.438 3.667 688 2HB PRO 921 2HB PRO 921 2.726 7.640 2.518 689 1HG PRO 921 1HG PRO 921 4.388 9.827 3.801 690 2HG PRO 921 2HG PRO 921 4.042 9.606 2.055 691 1HD PRO 921 1HD PRO 921 2.557 11.294 3.597 692 2HD PRO 921 2HD PRO 921 1.772 10.273 2.354 693 H CYS 922 H CYS 922 2.041 6.502 6.398 694 HA CYS 922 HA CYS 922 4.364 7.273 7.911 695 1HB CYS 922 1HB CYS 922 2.928 7.927 9.962 696 2HB CYS 922 2HB CYS 922 3.139 9.149 8.684 697 HG CYS 922 HG CYS 922 0.676 6.978 9.067 Start of MODEL 16 1 H GLY 835 H GLY 835 -15.992 -1.432 10.176 2 1HA GLY 835 1HA GLY 835 -13.627 -0.691 11.705 3 2HA GLY 835 2HA GLY 835 -13.467 -2.230 10.829 4 H SER 836 H SER 836 -11.782 -1.194 9.543 5 HA SER 836 HA SER 836 -12.812 0.820 7.614 6 1HB SER 836 1HB SER 836 -9.988 -0.029 8.367 7 2HB SER 836 2HB SER 836 -10.390 1.172 7.116 8 HG SER 836 HG SER 836 -10.012 2.224 9.056 9 H ALA 837 H ALA 837 -10.685 -2.099 7.714 10 HA ALA 837 HA ALA 837 -10.587 -2.581 4.969 11 1HB ALA 837 1HB ALA 837 -10.835 -4.844 6.949 12 2HB ALA 837 2HB ALA 837 -9.759 -4.691 5.539 13 3HB ALA 837 3HB ALA 837 -9.431 -3.751 7.015 14 H ASP 838 H ASP 838 -13.016 -3.691 7.378 15 HA ASP 838 HA ASP 838 -14.576 -5.143 5.453 16 1HB ASP 838 1HB ASP 838 -16.037 -5.536 7.227 17 2HB ASP 838 2HB ASP 838 -14.491 -5.279 8.065 18 H GLU 839 H GLU 839 -14.051 -1.820 5.950 19 HA GLU 839 HA GLU 839 -16.745 -1.000 5.115 20 1HB GLU 839 1HB GLU 839 -14.339 0.248 6.270 21 2HB GLU 839 2HB GLU 839 -15.117 1.233 5.008 22 1HG GLU 839 1HG GLU 839 -16.961 -0.065 6.950 23 2HG GLU 839 2HG GLU 839 -15.911 1.202 7.621 24 H THR 840 H THR 840 -13.673 -1.829 3.714 25 HA THR 840 HA THR 840 -14.672 -0.833 1.090 26 HB THR 840 HB THR 840 -12.737 0.257 0.682 27 HG1 THR 840 1HG THR 840 -10.741 -0.884 1.750 28 1HG2 THR 840 1HG2 THR 840 -12.308 -0.303 3.649 29 2HG2 THR 840 2HG2 THR 840 -11.477 0.962 2.712 30 3HG2 THR 840 3HG2 THR 840 -13.238 1.049 2.960 31 H LEU 841 H LEU 841 -11.795 -2.742 2.062 32 HA LEU 841 HA LEU 841 -11.726 -4.552 0.045 33 1HB LEU 841 1HB LEU 841 -10.200 -4.406 2.060 34 2HB LEU 841 2HB LEU 841 -11.412 -5.347 2.962 35 HG LEU 841 HG LEU 841 -9.962 -6.211 0.424 36 1HD1 LEU 841 1HD1 LEU 841 -8.431 -6.644 2.105 37 2HD1 LEU 841 2HD1 LEU 841 -9.686 -6.775 3.360 38 3HD1 LEU 841 3HD1 LEU 841 -9.419 -8.120 2.226 39 1HD2 LEU 841 1HD2 LEU 841 -12.073 -7.204 0.206 40 2HD2 LEU 841 2HD2 LEU 841 -11.183 -8.435 1.133 41 3HD2 LEU 841 3HD2 LEU 841 -12.305 -7.332 1.966 42 H CYS 842 H CYS 842 -14.249 -4.234 2.415 43 HA CYS 842 HA CYS 842 -15.356 -6.760 2.592 44 1HB CYS 842 1HB CYS 842 -17.597 -5.427 2.561 45 2HB CYS 842 2HB CYS 842 -16.401 -5.045 3.824 46 HG CYS 842 HG CYS 842 -17.657 -2.908 2.713 47 H GLN 843 H GLN 843 -14.617 -5.122 -0.256 48 HA GLN 843 HA GLN 843 -16.690 -6.647 -1.763 49 1HB GLN 843 1HB GLN 843 -15.154 -4.378 -2.985 50 2HB GLN 843 2HB GLN 843 -16.822 -4.919 -3.289 51 1HG GLN 843 1HG GLN 843 -16.386 -4.025 -0.520 52 2HG GLN 843 2HG GLN 843 -16.074 -2.749 -1.716 53 1HE2 GLN 843 1HE2 GLN 843 -17.854 -1.462 -1.655 54 2HE2 GLN 843 2HE2 GLN 843 -19.500 -2.024 -1.851 55 H THR 844 H THR 844 -14.009 -7.532 -0.673 56 HA THR 844 HA THR 844 -12.339 -8.917 -1.411 57 HB THR 844 HB THR 844 -14.330 -8.973 -3.545 58 HG1 THR 844 1HG THR 844 -14.198 -10.888 -2.733 59 1HG2 THR 844 1HG2 THR 844 -11.397 -8.966 -4.237 60 2HG2 THR 844 2HG2 THR 844 -12.483 -10.084 -5.098 61 3HG2 THR 844 3HG2 THR 844 -12.779 -8.330 -5.161 62 H LYS 845 H LYS 845 -10.817 -7.243 -0.952 63 HA LYS 845 HA LYS 845 -9.140 -5.768 -1.461 64 1HB LYS 845 1HB LYS 845 -9.190 -6.801 -4.298 65 2HB LYS 845 2HB LYS 845 -7.795 -6.350 -3.288 66 1HG LYS 845 1HG LYS 845 -9.622 -8.670 -2.578 67 2HG LYS 845 2HG LYS 845 -8.204 -8.871 -3.634 68 1HD LYS 845 1HD LYS 845 -7.176 -9.274 -1.611 69 2HD LYS 845 2HD LYS 845 -7.037 -7.500 -1.623 70 1HE LYS 845 1HE LYS 845 -8.047 -7.696 0.421 71 2HE LYS 845 2HE LYS 845 -9.522 -7.754 -0.569 72 1HZ LYS 845 1HZ LYS 845 -8.019 -10.126 0.278 73 2HZ LYS 845 2HZ LYS 845 -9.331 -9.529 1.079 74 3HZ LYS 845 3HZ LYS 845 -9.492 -10.089 -0.464 75 H VAL 846 H VAL 846 -12.110 -5.731 -3.162 76 HA VAL 846 HA VAL 846 -13.028 -4.173 -4.652 77 HB VAL 846 HB VAL 846 -13.735 -2.372 -3.372 78 1HG1 VAL 846 1HG1 VAL 846 -13.353 -4.782 -2.051 79 2HG1 VAL 846 2HG1 VAL 846 -12.619 -3.606 -0.935 80 3HG1 VAL 846 3HG1 VAL 846 -14.315 -3.415 -1.440 81 1HG2 VAL 846 1HG2 VAL 846 -11.751 -1.072 -3.229 82 2HG2 VAL 846 2HG2 VAL 846 -12.178 -1.417 -1.535 83 3HG2 VAL 846 3HG2 VAL 846 -10.884 -2.343 -2.333 84 H LEU 847 H LEU 847 -9.948 -2.892 -3.283 85 HA LEU 847 HA LEU 847 -8.153 -1.951 -4.372 86 1HB LEU 847 1HB LEU 847 -9.649 -2.249 -6.993 87 2HB LEU 847 2HB LEU 847 -7.891 -2.173 -6.722 88 HG LEU 847 HG LEU 847 -8.496 -4.490 -7.133 89 1HD1 LEU 847 1HD1 LEU 847 -6.972 -3.708 -5.092 90 2HD1 LEU 847 2HD1 LEU 847 -8.278 -4.442 -4.132 91 3HD1 LEU 847 3HD1 LEU 847 -7.385 -5.425 -5.318 92 1HD2 LEU 847 1HD2 LEU 847 -10.933 -4.083 -6.414 93 2HD2 LEU 847 2HD2 LEU 847 -10.217 -5.644 -5.944 94 3HD2 LEU 847 3HD2 LEU 847 -10.368 -4.337 -4.745 95 H LEU 848 H LEU 848 -9.361 -0.559 -7.115 96 HA LEU 848 HA LEU 848 -10.618 1.431 -7.464 97 1HB LEU 848 1HB LEU 848 -10.970 1.147 -4.710 98 2HB LEU 848 2HB LEU 848 -10.099 2.691 -4.871 99 HG LEU 848 HG LEU 848 -12.486 2.014 -6.619 100 1HD1 LEU 848 1HD1 LEU 848 -13.532 1.914 -4.533 101 2HD1 LEU 848 2HD1 LEU 848 -12.371 3.035 -3.783 102 3HD1 LEU 848 3HD1 LEU 848 -13.625 3.657 -4.882 103 1HD2 LEU 848 1HD2 LEU 848 -10.786 4.405 -5.980 104 2HD2 LEU 848 2HD2 LEU 848 -11.477 3.885 -7.535 105 3HD2 LEU 848 3HD2 LEU 848 -12.511 4.677 -6.322 106 H ASP 849 H ASP 849 -9.847 3.620 -7.888 107 HA ASP 849 HA ASP 849 -7.012 3.664 -8.356 108 1HB ASP 849 1HB ASP 849 -9.037 5.928 -8.494 109 2HB ASP 849 2HB ASP 849 -7.442 5.877 -9.276 110 H ILE 850 H ILE 850 -6.813 3.158 -5.834 111 HA ILE 850 HA ILE 850 -6.795 5.650 -4.259 112 HB ILE 850 HB ILE 850 -5.716 3.155 -3.086 113 1HG1 ILE 850 1HG1 ILE 850 -7.992 2.970 -4.787 114 2HG1 ILE 850 2HG1 ILE 850 -7.389 1.750 -3.639 115 1HG2 ILE 850 1HG2 ILE 850 -6.381 5.364 -1.943 116 2HG2 ILE 850 2HG2 ILE 850 -8.069 4.881 -2.238 117 3HG2 ILE 850 3HG2 ILE 850 -7.019 3.870 -1.216 118 1HD1 ILE 850 1HD1 ILE 850 -9.647 3.676 -3.370 119 2HD1 ILE 850 2HD1 ILE 850 -9.440 2.054 -2.666 120 3HD1 ILE 850 3HD1 ILE 850 -8.639 3.457 -1.919 121 H PHE 851 H PHE 851 -4.413 3.156 -3.672 122 HA PHE 851 HA PHE 851 -2.241 4.872 -3.478 123 1HB PHE 851 1HB PHE 851 -2.088 2.031 -4.520 124 2HB PHE 851 2HB PHE 851 -0.869 2.914 -3.585 125 HD1 PHE 851 1HD PHE 851 -4.014 1.026 -3.449 126 HD2 PHE 851 2HD PHE 851 -1.153 3.282 -1.174 127 HE1 PHE 851 1HE PHE 851 -4.973 0.122 -1.348 128 HE2 PHE 851 2HE PHE 851 -2.112 2.378 0.928 129 HZ PHE 851 HZ PHE 851 -4.022 0.798 0.840 130 H THR 852 H THR 852 -4.034 5.003 -6.056 131 HA THR 852 HA THR 852 -2.982 4.438 -8.409 132 HB THR 852 HB THR 852 -4.580 6.465 -7.513 133 HG1 THR 852 1HG THR 852 -4.993 5.817 -9.489 134 1HG2 THR 852 1HG2 THR 852 -3.563 8.563 -8.476 135 2HG2 THR 852 2HG2 THR 852 -2.733 7.969 -7.018 136 3HG2 THR 852 3HG2 THR 852 -2.020 7.689 -8.625 137 H GLY 853 H GLY 853 -0.925 4.034 -8.987 138 1HA GLY 853 1HA GLY 853 1.346 4.294 -9.235 139 2HA GLY 853 2HA GLY 853 0.979 6.024 -9.415 140 H VAL 854 H VAL 854 1.144 3.542 -6.793 141 HA VAL 854 HA VAL 854 2.641 5.551 -5.176 142 HB VAL 854 HB VAL 854 0.347 3.727 -4.455 143 1HG1 VAL 854 1HG1 VAL 854 1.012 4.298 -2.027 144 2HG1 VAL 854 2HG1 VAL 854 1.962 3.035 -2.845 145 3HG1 VAL 854 3HG1 VAL 854 2.622 4.680 -2.683 146 1HG2 VAL 854 1HG2 VAL 854 0.652 6.282 -3.071 147 2HG2 VAL 854 2HG2 VAL 854 0.706 6.492 -4.838 148 3HG2 VAL 854 3HG2 VAL 854 -0.694 5.697 -4.079 149 H ARG 855 H ARG 855 4.688 4.891 -4.932 150 HA ARG 855 HA ARG 855 5.405 2.098 -5.334 151 1HB ARG 855 1HB ARG 855 6.905 4.655 -4.719 152 2HB ARG 855 2HB ARG 855 7.715 3.071 -4.688 153 1HG ARG 855 1HG ARG 855 6.204 4.293 -7.037 154 2HG ARG 855 2HG ARG 855 7.965 4.066 -6.911 155 1HD ARG 855 1HD ARG 855 7.812 1.913 -7.562 156 2HD ARG 855 2HD ARG 855 6.541 1.581 -6.365 157 HE ARG 855 HE ARG 855 5.100 2.865 -8.218 158 1HH1 ARG 855 2HH2 ARG 855 7.613 0.403 -8.568 159 2HH1 ARG 855 1HH2 ARG 855 6.945 -0.266 -10.040 160 1HH2 ARG 855 2HH1 ARG 855 4.217 1.981 -10.163 161 2HH2 ARG 855 1HH1 ARG 855 5.009 0.634 -10.949 162 H LEU 856 H LEU 856 3.649 1.986 -3.313 163 HA LEU 856 HA LEU 856 4.958 2.268 -0.728 164 1HB LEU 856 1HB LEU 856 2.575 2.624 -0.856 165 2HB LEU 856 2HB LEU 856 2.327 1.043 -1.636 166 HG LEU 856 HG LEU 856 2.098 1.487 1.065 167 1HD1 LEU 856 1HD1 LEU 856 3.150 -1.186 0.556 168 2HD1 LEU 856 2HD1 LEU 856 1.487 -0.683 0.943 169 3HD1 LEU 856 3HD1 LEU 856 2.049 -0.674 -0.746 170 1HD2 LEU 856 1HD2 LEU 856 4.731 1.837 0.838 171 2HD2 LEU 856 2HD2 LEU 856 4.042 0.958 2.223 172 3HD2 LEU 856 3HD2 LEU 856 4.738 0.058 0.855 173 H TYR 857 H TYR 857 6.410 0.862 0.042 174 HA TYR 857 HA TYR 857 6.708 -1.761 -1.198 175 1HB TYR 857 1HB TYR 857 8.791 -1.073 -0.660 176 2HB TYR 857 2HB TYR 857 8.214 0.013 0.615 177 HD1 TYR 857 1HD TYR 857 9.630 -0.492 2.422 178 HD2 TYR 857 2HD TYR 857 7.662 -3.672 0.308 179 HE1 TYR 857 1HE TYR 857 10.390 -2.107 4.144 180 HE2 TYR 857 2HE TYR 857 8.421 -5.287 2.030 181 HH TYR 857 HH TYR 857 10.257 -4.264 4.915 182 H LEU 858 H LEU 858 5.235 -3.287 -0.680 183 HA LEU 858 HA LEU 858 3.994 -3.331 1.959 184 1HB LEU 858 1HB LEU 858 2.989 -3.960 -0.383 185 2HB LEU 858 2HB LEU 858 3.778 -5.529 -0.095 186 HG LEU 858 HG LEU 858 1.838 -6.013 1.011 187 1HD1 LEU 858 1HD1 LEU 858 2.681 -4.141 3.213 188 2HD1 LEU 858 2HD1 LEU 858 2.143 -5.835 3.310 189 3HD1 LEU 858 3HD1 LEU 858 3.785 -5.454 2.737 190 1HD2 LEU 858 1HD2 LEU 858 1.144 -3.510 0.261 191 2HD2 LEU 858 2HD2 LEU 858 0.149 -4.490 1.364 192 3HD2 LEU 858 3HD2 LEU 858 1.255 -3.258 2.019 193 HA PRO 859 HA PRO 859 7.393 -5.839 3.478 194 1HB PRO 859 1HB PRO 859 6.738 -5.655 6.116 195 2HB PRO 859 2HB PRO 859 7.421 -4.264 5.213 196 1HG PRO 859 1HG PRO 859 4.495 -4.848 5.750 197 2HG PRO 859 2HG PRO 859 5.377 -3.321 6.075 198 1HD PRO 859 1HD PRO 859 3.934 -3.669 3.789 199 2HD PRO 859 2HD PRO 859 5.512 -2.825 3.746 200 HA PRO 860 HA PRO 860 5.184 -9.666 3.644 201 1HB PRO 860 1HB PRO 860 7.192 -11.307 4.480 202 2HB PRO 860 2HB PRO 860 7.228 -10.513 2.872 203 1HG PRO 860 1HG PRO 860 8.554 -9.555 5.424 204 2HG PRO 860 2HG PRO 860 9.320 -9.778 3.817 205 1HD PRO 860 1HD PRO 860 8.408 -7.342 4.631 206 2HD PRO 860 2HD PRO 860 8.182 -7.876 2.938 207 H SER 861 H SER 861 6.616 -8.020 6.345 208 HA SER 861 HA SER 861 5.613 -9.940 8.324 209 1HB SER 861 1HB SER 861 7.548 -7.802 8.224 210 2HB SER 861 2HB SER 861 6.383 -7.484 9.532 211 HG SER 861 HG SER 861 7.533 -10.034 9.147 212 H THR 862 H THR 862 4.394 -7.349 6.466 213 HA THR 862 HA THR 862 2.594 -6.236 8.427 214 HB THR 862 HB THR 862 3.256 -5.889 5.593 215 HG1 THR 862 1HG THR 862 2.646 -3.768 6.188 216 1HG2 THR 862 1HG2 THR 862 0.385 -5.314 6.394 217 2HG2 THR 862 2HG2 THR 862 1.115 -5.249 4.772 218 3HG2 THR 862 3HG2 THR 862 0.845 -6.820 5.564 219 HA PRO 863 HA PRO 863 -0.500 -9.367 8.376 220 1HB PRO 863 1HB PRO 863 -2.595 -7.959 9.402 221 2HB PRO 863 2HB PRO 863 -1.134 -8.326 10.376 222 1HG PRO 863 1HG PRO 863 -1.723 -5.784 8.832 223 2HG PRO 863 2HG PRO 863 -1.240 -5.924 10.554 224 1HD PRO 863 1HD PRO 863 0.593 -5.427 8.599 225 2HD PRO 863 2HD PRO 863 0.984 -6.536 9.949 226 H ASP 864 H ASP 864 -2.234 -10.056 7.082 227 HA ASP 864 HA ASP 864 -3.586 -10.101 5.237 228 1HB ASP 864 1HB ASP 864 -3.910 -7.414 6.386 229 2HB ASP 864 2HB ASP 864 -4.257 -7.476 4.644 230 H PHE 865 H PHE 865 -0.556 -9.352 5.184 231 HA PHE 865 HA PHE 865 0.165 -7.689 3.142 232 1HB PHE 865 1HB PHE 865 1.688 -9.107 4.492 233 2HB PHE 865 2HB PHE 865 1.169 -10.524 3.563 234 HD1 PHE 865 1HD PHE 865 1.198 -7.746 1.400 235 HD2 PHE 865 2HD PHE 865 3.827 -10.521 3.360 236 HE1 PHE 865 1HE PHE 865 2.949 -7.282 -0.293 237 HE2 PHE 865 2HE PHE 865 5.579 -10.057 1.666 238 HZ PHE 865 HZ PHE 865 5.140 -8.437 -0.160 239 H SER 866 H SER 866 -0.962 -11.091 2.737 240 HA SER 866 HA SER 866 -0.826 -11.649 0.162 241 1HB SER 866 1HB SER 866 -2.890 -12.024 2.186 242 2HB SER 866 2HB SER 866 -3.592 -11.937 0.553 243 HG SER 866 HG SER 866 -2.970 -14.040 0.944 244 H ARG 867 H ARG 867 -3.887 -9.975 0.950 245 HA ARG 867 HA ARG 867 -4.169 -8.891 -1.654 246 1HB ARG 867 1HB ARG 867 -5.829 -7.341 -0.372 247 2HB ARG 867 2HB ARG 867 -6.145 -9.092 -0.402 248 1HG ARG 867 1HG ARG 867 -4.398 -8.634 1.792 249 2HG ARG 867 2HG ARG 867 -5.647 -7.370 1.876 250 1HD ARG 867 1HD ARG 867 -6.276 -9.484 3.081 251 2HD ARG 867 2HD ARG 867 -7.416 -9.030 1.795 252 HE ARG 867 HE ARG 867 -5.832 -10.696 0.429 253 1HH1 ARG 867 2HH2 ARG 867 -7.149 -10.958 3.700 254 2HH1 ARG 867 1HH2 ARG 867 -7.213 -12.706 3.681 255 1HH2 ARG 867 2HH1 ARG 867 -5.917 -13.005 0.405 256 2HH2 ARG 867 1HH1 ARG 867 -6.511 -13.873 1.803 257 H LEU 868 H LEU 868 -2.992 -7.446 1.423 258 HA LEU 868 HA LEU 868 -2.654 -4.838 0.863 259 1HB LEU 868 1HB LEU 868 -0.816 -6.846 2.151 260 2HB LEU 868 2HB LEU 868 -0.269 -5.166 1.941 261 HG LEU 868 HG LEU 868 -2.041 -6.224 3.937 262 1HD1 LEU 868 1HD1 LEU 868 -0.766 -3.611 3.183 263 2HD1 LEU 868 2HD1 LEU 868 -2.063 -3.586 4.401 264 3HD1 LEU 868 3HD1 LEU 868 -0.603 -4.566 4.676 265 1HD2 LEU 868 1HD2 LEU 868 -4.040 -4.964 3.638 266 2HD2 LEU 868 2HD2 LEU 868 -3.335 -4.009 2.313 267 3HD2 LEU 868 3HD2 LEU 868 -3.739 -5.723 2.057 268 H ARG 869 H ARG 869 -0.509 -7.439 -0.397 269 HA ARG 869 HA ARG 869 1.036 -5.577 -1.992 270 1HB ARG 869 1HB ARG 869 1.536 -8.033 -0.993 271 2HB ARG 869 2HB ARG 869 0.992 -8.495 -2.624 272 1HG ARG 869 1HG ARG 869 2.602 -6.651 -3.475 273 2HG ARG 869 2HG ARG 869 3.307 -6.697 -1.841 274 1HD ARG 869 1HD ARG 869 2.964 -9.399 -2.754 275 2HD ARG 869 2HD ARG 869 3.782 -8.480 -4.036 276 HE ARG 869 HE ARG 869 4.989 -9.410 -1.672 277 1HH1 ARG 869 2HH2 ARG 869 4.642 -6.391 -3.480 278 2HH1 ARG 869 1HH2 ARG 869 6.177 -5.740 -2.953 279 1HH2 ARG 869 2HH1 ARG 869 7.017 -8.549 -0.976 280 2HH2 ARG 869 1HH1 ARG 869 7.532 -6.970 -1.525 281 H ARG 870 H ARG 870 -0.631 -8.507 -3.206 282 HA ARG 870 HA ARG 870 -0.977 -7.831 -5.800 283 1HB ARG 870 1HB ARG 870 -2.044 -9.733 -4.090 284 2HB ARG 870 2HB ARG 870 -3.488 -8.861 -4.659 285 1HG ARG 870 1HG ARG 870 -3.120 -10.582 -6.271 286 2HG ARG 870 2HG ARG 870 -2.501 -9.094 -7.025 287 1HD ARG 870 1HD ARG 870 -0.811 -10.728 -7.398 288 2HD ARG 870 2HD ARG 870 -0.213 -9.736 -6.051 289 HE ARG 870 HE ARG 870 -1.581 -11.803 -4.823 290 1HH1 ARG 870 2HH2 ARG 870 1.048 -11.535 -7.172 291 2HH1 ARG 870 1HH2 ARG 870 1.830 -13.018 -6.672 292 1HH2 ARG 870 2HH1 ARG 870 -0.548 -13.762 -4.162 293 2HH2 ARG 870 1HH1 ARG 870 0.920 -14.287 -4.956 294 H TYR 871 H TYR 871 -3.425 -7.005 -3.270 295 HA TYR 871 HA TYR 871 -5.128 -5.468 -4.808 296 1HB TYR 871 1HB TYR 871 -5.170 -6.121 -2.295 297 2HB TYR 871 2HB TYR 871 -4.283 -4.608 -2.041 298 HD1 TYR 871 1HD TYR 871 -5.986 -3.573 -4.694 299 HD2 TYR 871 2HD TYR 871 -6.860 -4.984 -0.732 300 HE1 TYR 871 1HE TYR 871 -8.124 -2.316 -4.718 301 HE2 TYR 871 2HE TYR 871 -8.998 -3.728 -0.756 302 HH TYR 871 HH TYR 871 -10.323 -2.256 -1.903 303 H PHE 872 H PHE 872 -2.417 -4.123 -2.829 304 HA PHE 872 HA PHE 872 -2.495 -1.515 -3.717 305 1HB PHE 872 1HB PHE 872 -0.942 -2.718 -2.025 306 2HB PHE 872 2HB PHE 872 0.112 -3.008 -3.420 307 HD1 PHE 872 1HD PHE 872 -0.323 -0.928 -0.712 308 HD2 PHE 872 2HD PHE 872 0.326 -0.714 -4.952 309 HE1 PHE 872 1HE PHE 872 0.645 1.340 -0.449 310 HE2 PHE 872 2HE PHE 872 1.294 1.554 -4.690 311 HZ PHE 872 HZ PHE 872 1.454 2.581 -2.438 312 H VAL 873 H VAL 873 0.276 -3.339 -4.951 313 HA VAL 873 HA VAL 873 0.779 -2.037 -7.236 314 HB VAL 873 HB VAL 873 2.135 -3.906 -6.729 315 1HG1 VAL 873 1HG1 VAL 873 1.327 -5.848 -5.891 316 2HG1 VAL 873 2HG1 VAL 873 -0.272 -5.066 -5.900 317 3HG1 VAL 873 3HG1 VAL 873 0.234 -6.074 -7.277 318 1HG2 VAL 873 1HG2 VAL 873 1.627 -3.506 -9.199 319 2HG2 VAL 873 2HG2 VAL 873 2.216 -5.137 -8.795 320 3HG2 VAL 873 3HG2 VAL 873 0.483 -4.866 -9.097 321 H ALA 874 H ALA 874 -1.991 -4.200 -6.712 322 HA ALA 874 HA ALA 874 -2.849 -4.430 -9.395 323 1HB ALA 874 1HB ALA 874 -5.177 -4.565 -8.099 324 2HB ALA 874 2HB ALA 874 -3.970 -5.867 -7.976 325 3HB ALA 874 3HB ALA 874 -4.106 -4.655 -6.680 326 H PHE 875 H PHE 875 -4.371 -2.333 -6.883 327 HA PHE 875 HA PHE 875 -6.011 -0.752 -8.194 328 1HB PHE 875 1HB PHE 875 -3.707 0.362 -6.560 329 2HB PHE 875 2HB PHE 875 -5.238 1.188 -6.894 330 HD1 PHE 875 1HD PHE 875 -7.352 0.366 -5.885 331 HD2 PHE 875 2HD PHE 875 -3.540 -1.331 -4.868 332 HE1 PHE 875 1HE PHE 875 -8.352 -0.669 -3.865 333 HE2 PHE 875 2HE PHE 875 -4.539 -2.366 -2.848 334 HZ PHE 875 HZ PHE 875 -6.945 -2.035 -2.346 335 H ASP 876 H ASP 876 -2.449 -0.457 -8.563 336 HA ASP 876 HA ASP 876 -2.036 -0.110 -11.124 337 1HB ASP 876 1HB ASP 876 -3.792 2.137 -10.236 338 2HB ASP 876 2HB ASP 876 -2.474 2.536 -11.360 339 H GLY 877 H GLY 877 -1.250 0.399 -8.017 340 1HA GLY 877 1HA GLY 877 0.797 2.458 -8.358 341 2HA GLY 877 2HA GLY 877 0.476 1.489 -6.901 342 H ASP 878 H ASP 878 2.533 0.746 -6.462 343 HA ASP 878 HA ASP 878 3.518 -1.383 -8.193 344 1HB ASP 878 1HB ASP 878 5.265 1.046 -7.656 345 2HB ASP 878 2HB ASP 878 5.714 -0.414 -8.565 346 H LEU 879 H LEU 879 4.747 -2.861 -7.049 347 HA LEU 879 HA LEU 879 5.241 -2.165 -4.191 348 1HB LEU 879 1HB LEU 879 4.388 -4.807 -5.438 349 2HB LEU 879 2HB LEU 879 4.832 -4.582 -3.729 350 HG LEU 879 HG LEU 879 2.284 -4.195 -4.898 351 1HD1 LEU 879 1HD1 LEU 879 1.650 -3.605 -2.629 352 2HD1 LEU 879 2HD1 LEU 879 2.918 -4.851 -2.543 353 3HD1 LEU 879 3HD1 LEU 879 3.324 -3.145 -2.234 354 1HD2 LEU 879 1HD2 LEU 879 2.995 -2.010 -5.731 355 2HD2 LEU 879 2HD2 LEU 879 1.888 -1.778 -4.357 356 3HD2 LEU 879 3HD2 LEU 879 3.642 -1.576 -4.131 357 H VAL 880 H VAL 880 7.338 -2.143 -3.664 358 HA VAL 880 HA VAL 880 9.208 -3.705 -5.378 359 HB VAL 880 HB VAL 880 10.417 -1.701 -3.629 360 1HG1 VAL 880 1HG1 VAL 880 10.389 -1.436 -6.599 361 2HG1 VAL 880 2HG1 VAL 880 11.761 -1.423 -5.465 362 3HG1 VAL 880 3HG1 VAL 880 11.027 -2.969 -5.958 363 1HG2 VAL 880 1HG2 VAL 880 8.000 -0.991 -5.238 364 2HG2 VAL 880 2HG2 VAL 880 8.678 -0.206 -3.791 365 3HG2 VAL 880 3HG2 VAL 880 9.403 0.094 -5.389 366 H GLN 881 H GLN 881 10.503 -5.230 -4.457 367 HA GLN 881 HA GLN 881 9.832 -6.230 -1.873 368 1HB GLN 881 1HB GLN 881 12.380 -6.775 -3.433 369 2HB GLN 881 2HB GLN 881 11.550 -7.846 -2.278 370 1HG GLN 881 1HG GLN 881 10.094 -8.583 -3.847 371 2HG GLN 881 2HG GLN 881 9.800 -6.941 -4.461 372 1HE2 GLN 881 1HE2 GLN 881 11.789 -9.853 -4.733 373 2HE2 GLN 881 2HE2 GLN 881 12.552 -9.435 -6.253 374 H GLU 882 H GLU 882 10.622 -5.793 0.120 375 HA GLU 882 HA GLU 882 11.740 -3.575 1.012 376 1HB GLU 882 1HB GLU 882 11.276 -5.526 2.442 377 2HB GLU 882 2HB GLU 882 12.731 -6.339 1.817 378 1HG GLU 882 1HG GLU 882 13.842 -3.998 2.573 379 2HG GLU 882 2HG GLU 882 12.484 -4.042 3.718 380 H PHE 883 H PHE 883 14.015 -6.273 0.254 381 HA PHE 883 HA PHE 883 16.265 -4.517 0.078 382 1HB PHE 883 1HB PHE 883 17.462 -6.463 -0.648 383 2HB PHE 883 2HB PHE 883 16.315 -6.965 0.605 384 HD1 PHE 883 1HD PHE 883 17.212 -7.181 -2.949 385 HD2 PHE 883 2HD PHE 883 14.342 -8.311 0.040 386 HE1 PHE 883 1HE PHE 883 16.277 -8.884 -4.491 387 HE2 PHE 883 2HE PHE 883 13.407 -10.014 -1.501 388 HZ PHE 883 HZ PHE 883 14.374 -10.300 -3.767 389 H ASP 884 H ASP 884 13.683 -4.287 -1.765 390 HA ASP 884 HA ASP 884 15.268 -3.552 -4.157 391 1HB ASP 884 1HB ASP 884 12.759 -5.269 -4.143 392 2HB ASP 884 2HB ASP 884 13.477 -4.540 -5.596 393 H MET 885 H MET 885 15.015 -1.366 -3.562 394 HA MET 885 HA MET 885 12.313 -0.318 -4.130 395 1HB MET 885 1HB MET 885 13.039 1.318 -2.076 396 2HB MET 885 2HB MET 885 11.984 -0.102 -1.886 397 1HG MET 885 1HG MET 885 14.161 -1.445 -1.569 398 2HG MET 885 2HG MET 885 14.957 0.124 -1.360 399 1HE MET 885 1HE MET 885 12.314 -2.240 -0.454 400 2HE MET 885 2HE MET 885 12.269 -2.268 1.325 401 3HE MET 885 3HE MET 885 11.252 -1.116 0.427 402 H THR 886 H THR 886 15.805 0.169 -3.634 403 HA THR 886 HA THR 886 16.587 2.572 -4.077 404 HB THR 886 HB THR 886 18.216 1.897 -5.651 405 HG1 THR 886 1HG THR 886 17.797 0.143 -7.069 406 1HG2 THR 886 1HG2 THR 886 18.018 0.498 -3.509 407 2HG2 THR 886 2HG2 THR 886 17.249 -0.752 -4.515 408 3HG2 THR 886 3HG2 THR 886 18.923 -0.246 -4.849 409 H SER 887 H SER 887 14.870 0.908 -6.782 410 HA SER 887 HA SER 887 14.423 3.526 -8.060 411 1HB SER 887 1HB SER 887 14.458 0.686 -8.869 412 2HB SER 887 2HB SER 887 13.143 1.635 -9.602 413 HG SER 887 HG SER 887 14.912 1.906 -10.885 414 H ALA 888 H ALA 888 12.908 1.432 -5.826 415 HA ALA 888 HA ALA 888 10.195 1.591 -6.511 416 1HB ALA 888 1HB ALA 888 10.910 0.179 -4.707 417 2HB ALA 888 2HB ALA 888 11.616 1.556 -3.825 418 3HB ALA 888 3HB ALA 888 9.849 1.421 -3.998 419 H THR 889 H THR 889 9.226 2.933 -4.029 420 HA THR 889 HA THR 889 9.974 5.711 -4.189 421 HB THR 889 HB THR 889 8.435 5.017 -6.296 422 HG1 THR 889 1HG THR 889 7.906 7.188 -6.343 423 1HG2 THR 889 1HG2 THR 889 6.412 5.968 -4.241 424 2HG2 THR 889 2HG2 THR 889 6.112 5.330 -5.875 425 3HG2 THR 889 3HG2 THR 889 6.665 4.239 -4.582 426 H HIS 890 H HIS 890 7.528 3.242 -3.347 427 HA HIS 890 HA HIS 890 7.032 4.761 -0.828 428 1HB HIS 890 1HB HIS 890 5.256 3.120 -2.621 429 2HB HIS 890 2HB HIS 890 4.885 3.255 -0.893 430 HD1 HIS 890 1HD HIS 890 4.899 5.343 -4.090 431 HD2 HIS 890 2HD HIS 890 4.113 5.679 0.031 432 HE1 HIS 890 1HE HIS 890 3.694 7.572 -3.751 433 H VAL 891 H VAL 891 6.925 3.575 1.123 434 HA VAL 891 HA VAL 891 7.620 0.712 1.011 435 HB VAL 891 HB VAL 891 9.484 1.113 2.661 436 1HG1 VAL 891 1HG1 VAL 891 9.545 2.137 -0.185 437 2HG1 VAL 891 2HG1 VAL 891 11.011 2.196 0.823 438 3HG1 VAL 891 3HG1 VAL 891 10.227 0.634 0.481 439 1HG2 VAL 891 1HG2 VAL 891 8.740 3.382 3.364 440 2HG2 VAL 891 2HG2 VAL 891 10.425 3.386 2.788 441 3HG2 VAL 891 3HG2 VAL 891 9.124 3.997 1.738 442 H LEU 892 H LEU 892 6.342 -0.326 2.418 443 HA LEU 892 HA LEU 892 4.737 1.164 4.309 444 1HB LEU 892 1HB LEU 892 4.509 -1.242 2.960 445 2HB LEU 892 2HB LEU 892 4.860 -1.761 4.627 446 HG LEU 892 HG LEU 892 3.003 0.430 4.736 447 1HD1 LEU 892 1HD1 LEU 892 2.685 -1.274 2.402 448 2HD1 LEU 892 2HD1 LEU 892 1.308 -1.479 3.511 449 3HD1 LEU 892 3HD1 LEU 892 1.725 0.140 2.900 450 1HD2 LEU 892 1HD2 LEU 892 2.675 -2.560 5.238 451 2HD2 LEU 892 2HD2 LEU 892 3.293 -1.372 6.411 452 3HD2 LEU 892 3HD2 LEU 892 1.605 -1.278 5.854 453 H GLY 893 H GLY 893 5.284 1.724 6.330 454 1HA GLY 893 1HA GLY 893 6.550 1.889 8.248 455 2HA GLY 893 2HA GLY 893 6.422 0.116 8.271 456 H SER 894 H SER 894 8.565 2.705 8.203 457 HA SER 894 HA SER 894 10.883 2.601 8.254 458 1HB SER 894 1HB SER 894 10.563 -0.171 7.040 459 2HB SER 894 2HB SER 894 12.069 0.536 7.671 460 HG SER 894 HG SER 894 10.062 0.733 9.469 461 H ARG 895 H ARG 895 12.692 2.641 6.595 462 HA ARG 895 HA ARG 895 11.719 2.799 3.811 463 1HB ARG 895 1HB ARG 895 12.815 5.066 3.602 464 2HB ARG 895 2HB ARG 895 11.337 5.048 4.593 465 1HG ARG 895 1HG ARG 895 12.564 5.164 6.625 466 2HG ARG 895 2HG ARG 895 14.087 4.701 5.828 467 1HD ARG 895 1HD ARG 895 13.204 6.996 4.452 468 2HD ARG 895 2HD ARG 895 12.901 7.344 6.168 469 HE ARG 895 HE ARG 895 15.518 6.209 5.797 470 1HH1 ARG 895 2HH2 ARG 895 13.618 9.163 5.387 471 2HH1 ARG 895 1HH2 ARG 895 14.994 10.232 5.539 472 1HH2 ARG 895 2HH1 ARG 895 17.336 7.623 5.998 473 2HH2 ARG 895 1HH1 ARG 895 17.113 9.354 5.887 474 H ASP 896 H ASP 896 14.332 2.796 6.215 475 HA ASP 896 HA ASP 896 16.688 2.920 5.227 476 1HB ASP 896 1HB ASP 896 16.495 1.556 7.143 477 2HB ASP 896 2HB ASP 896 15.464 0.374 6.309 478 H LYS 897 H LYS 897 15.168 -0.202 4.289 479 HA LYS 897 HA LYS 897 16.690 -0.950 2.212 480 1HB LYS 897 1HB LYS 897 14.048 -1.202 1.198 481 2HB LYS 897 2HB LYS 897 14.997 -2.418 2.088 482 1HG LYS 897 1HG LYS 897 13.076 -2.179 3.427 483 2HG LYS 897 2HG LYS 897 14.240 -1.088 4.215 484 1HD LYS 897 1HD LYS 897 13.267 0.746 2.650 485 2HD LYS 897 2HD LYS 897 11.919 -0.388 2.396 486 1HE LYS 897 1HE LYS 897 12.106 -0.504 5.097 487 2HE LYS 897 2HE LYS 897 12.695 1.152 4.833 488 1HZ LYS 897 1HZ LYS 897 10.721 1.747 3.860 489 2HZ LYS 897 2HZ LYS 897 10.237 0.194 3.583 490 3HZ LYS 897 3HZ LYS 897 10.238 0.797 5.119 491 H ASN 898 H ASN 898 14.465 1.815 2.199 492 HA ASN 898 HA ASN 898 15.838 2.932 -0.101 493 1HB ASN 898 1HB ASN 898 13.740 1.217 -0.682 494 2HB ASN 898 2HB ASN 898 12.957 2.812 -0.672 495 1HD2 ASN 898 1HD2 ASN 898 12.640 2.971 -2.903 496 2HD2 ASN 898 2HD2 ASN 898 13.963 3.131 -4.039 497 HA PRO 899 HA PRO 899 14.315 6.084 2.785 498 1HB PRO 899 1HB PRO 899 16.372 7.829 2.403 499 2HB PRO 899 2HB PRO 899 16.568 6.335 3.376 500 1HG PRO 899 1HG PRO 899 17.260 6.727 0.451 501 2HG PRO 899 2HG PRO 899 18.322 6.079 1.743 502 1HD PRO 899 1HD PRO 899 16.917 4.424 0.095 503 2HD PRO 899 2HD PRO 899 17.079 4.046 1.837 504 H ALA 900 H ALA 900 14.801 5.851 -0.601 505 HA ALA 900 HA ALA 900 13.874 8.588 -1.158 506 1HB ALA 900 1HB ALA 900 14.239 6.393 -3.201 507 2HB ALA 900 2HB ALA 900 14.456 8.150 -3.385 508 3HB ALA 900 3HB ALA 900 15.653 7.196 -2.477 509 H ALA 901 H ALA 901 12.490 5.678 -0.245 510 HA ALA 901 HA ALA 901 10.134 5.904 -1.992 511 1HB ALA 901 1HB ALA 901 9.420 3.853 -0.915 512 2HB ALA 901 2HB ALA 901 11.140 3.692 -1.346 513 3HB ALA 901 3HB ALA 901 10.672 4.025 0.339 514 H GLN 902 H GLN 902 8.237 5.009 0.005 515 HA GLN 902 HA GLN 902 8.025 7.493 1.644 516 1HB GLN 902 1HB GLN 902 6.159 6.189 -0.251 517 2HB GLN 902 2HB GLN 902 5.439 6.637 1.314 518 1HG GLN 902 1HG GLN 902 6.889 8.436 -0.661 519 2HG GLN 902 2HG GLN 902 5.199 8.546 -0.122 520 1HE2 GLN 902 1HE2 GLN 902 5.954 7.888 2.706 521 2HE2 GLN 902 2HE2 GLN 902 6.657 9.356 3.352 522 H GLN 903 H GLN 903 7.678 7.222 3.790 523 HA GLN 903 HA GLN 903 7.623 4.456 4.791 524 1HB GLN 903 1HB GLN 903 8.185 7.187 5.933 525 2HB GLN 903 2HB GLN 903 7.750 5.851 7.027 526 1HG GLN 903 1HG GLN 903 9.790 4.919 6.809 527 2HG GLN 903 2HG GLN 903 9.681 4.969 5.036 528 1HE2 GLN 903 1HE2 GLN 903 10.345 6.925 3.913 529 2HE2 GLN 903 2HE2 GLN 903 11.499 8.012 4.655 530 H VAL 904 H VAL 904 5.349 4.353 3.741 531 HA VAL 904 HA VAL 904 3.254 5.693 5.286 532 HB VAL 904 HB VAL 904 1.994 5.256 3.470 533 1HG1 VAL 904 1HG1 VAL 904 3.178 4.882 1.441 534 2HG1 VAL 904 2HG1 VAL 904 4.374 5.628 2.529 535 3HG1 VAL 904 3HG1 VAL 904 4.401 3.871 2.246 536 1HG2 VAL 904 1HG2 VAL 904 1.951 2.876 2.478 537 2HG2 VAL 904 2HG2 VAL 904 3.020 2.420 3.827 538 3HG2 VAL 904 3HG2 VAL 904 1.390 3.055 4.158 539 H SER 905 H SER 905 1.345 4.177 5.969 540 HA SER 905 HA SER 905 2.491 1.789 7.334 541 1HB SER 905 1HB SER 905 1.641 4.155 8.558 542 2HB SER 905 2HB SER 905 0.257 3.050 8.737 543 HG SER 905 HG SER 905 2.627 3.025 10.002 544 HA PRO 906 HA PRO 906 -1.103 -0.473 6.156 545 1HB PRO 906 1HB PRO 906 -2.329 -1.405 8.404 546 2HB PRO 906 2HB PRO 906 -0.660 -1.895 7.965 547 1HG PRO 906 1HG PRO 906 -1.488 0.317 9.867 548 2HG PRO 906 2HG PRO 906 -0.337 -1.021 10.189 549 1HD PRO 906 1HD PRO 906 0.529 1.437 9.390 550 2HD PRO 906 2HD PRO 906 1.299 -0.048 8.753 551 H GLU 907 H GLU 907 -1.723 2.076 8.556 552 HA GLU 907 HA GLU 907 -4.569 2.192 8.062 553 1HB GLU 907 1HB GLU 907 -2.537 3.932 9.473 554 2HB GLU 907 2HB GLU 907 -4.210 4.488 9.231 555 1HG GLU 907 1HG GLU 907 -4.532 3.400 11.223 556 2HG GLU 907 2HG GLU 907 -4.712 1.997 10.148 557 H TRP 908 H TRP 908 -1.708 3.393 6.478 558 HA TRP 908 HA TRP 908 -2.881 5.673 5.203 559 1HB TRP 908 1HB TRP 908 -0.477 5.377 5.405 560 2HB TRP 908 2HB TRP 908 -0.548 3.885 4.458 561 HD1 TRP 908 HD TRP 908 -0.931 7.683 4.071 562 HE1 TRP 908 1HE TRP 908 -0.479 8.350 1.655 563 HE3 TRP 908 3HE TRP 908 -0.471 3.017 2.017 564 HZ2 TRP 908 2HZ TRP 908 0.023 7.029 -0.870 565 HZ3 TRP 908 3HZ TRP 908 -0.007 2.762 -0.393 566 HH2 TRP 908 HH TRP 908 0.242 4.752 -1.847 567 H ILE 909 H ILE 909 -2.715 2.201 4.446 568 HA ILE 909 HA ILE 909 -3.703 2.461 1.758 569 HB ILE 909 HB ILE 909 -3.298 0.239 3.745 570 1HG1 ILE 909 1HG1 ILE 909 -2.490 -0.097 0.943 571 2HG1 ILE 909 2HG1 ILE 909 -1.829 1.390 1.664 572 1HG2 ILE 909 1HG2 ILE 909 -4.846 0.031 1.127 573 2HG2 ILE 909 2HG2 ILE 909 -4.290 -1.348 2.105 574 3HG2 ILE 909 3HG2 ILE 909 -5.508 -0.226 2.759 575 1HD1 ILE 909 1HD1 ILE 909 -0.216 -0.197 2.271 576 2HD1 ILE 909 2HD1 ILE 909 -1.270 -0.180 3.705 577 3HD1 ILE 909 3HD1 ILE 909 -1.424 -1.483 2.503 578 H TRP 910 H TRP 910 -5.182 2.044 4.974 579 HA TRP 910 HA TRP 910 -7.822 1.497 3.988 580 1HB TRP 910 1HB TRP 910 -6.940 2.693 6.632 581 2HB TRP 910 2HB TRP 910 -8.507 1.949 6.285 582 HD1 TRP 910 HD TRP 910 -5.775 1.148 8.245 583 HE1 TRP 910 1HE TRP 910 -5.236 -1.336 8.403 584 HE3 TRP 910 3HE TRP 910 -8.364 -0.500 4.149 585 HZ2 TRP 910 2HZ TRP 910 -5.848 -3.754 6.934 586 HZ3 TRP 910 3HZ TRP 910 -8.362 -2.896 3.561 587 HH2 TRP 910 HH TRP 910 -7.113 -4.532 4.939 588 H ALA 911 H ALA 911 -6.259 4.468 5.310 589 HA ALA 911 HA ALA 911 -8.521 6.139 4.754 590 1HB ALA 911 1HB ALA 911 -6.838 6.704 6.448 591 2HB ALA 911 2HB ALA 911 -5.582 6.803 5.191 592 3HB ALA 911 3HB ALA 911 -6.918 7.979 5.208 593 H CYS 912 H CYS 912 -5.602 5.190 2.958 594 HA CYS 912 HA CYS 912 -5.890 7.131 0.867 595 1HB CYS 912 1HB CYS 912 -3.752 6.106 1.175 596 2HB CYS 912 2HB CYS 912 -4.447 4.468 1.099 597 HG CYS 912 HG CYS 912 -4.946 6.628 -1.308 598 H ILE 913 H ILE 913 -6.598 3.587 0.964 599 HA ILE 913 HA ILE 913 -7.758 3.234 -1.486 600 HB ILE 913 HB ILE 913 -8.849 2.170 1.149 601 1HG1 ILE 913 1HG1 ILE 913 -6.741 0.959 -0.682 602 2HG1 ILE 913 2HG1 ILE 913 -6.344 1.916 0.765 603 1HG2 ILE 913 1HG2 ILE 913 -10.391 1.484 -0.459 604 2HG2 ILE 913 2HG2 ILE 913 -9.179 1.463 -1.762 605 3HG2 ILE 913 3HG2 ILE 913 -9.203 0.161 -0.549 606 1HD1 ILE 913 1HD1 ILE 913 -8.324 -0.324 1.055 607 2HD1 ILE 913 2HD1 ILE 913 -6.604 -0.746 0.880 608 3HD1 ILE 913 3HD1 ILE 913 -7.133 0.297 2.222 609 H ARG 914 H ARG 914 -9.640 4.145 1.464 610 HA ARG 914 HA ARG 914 -12.044 4.703 0.110 611 1HB ARG 914 1HB ARG 914 -11.309 4.580 2.696 612 2HB ARG 914 2HB ARG 914 -11.303 6.349 2.494 613 1HG ARG 914 1HG ARG 914 -13.627 4.671 1.509 614 2HG ARG 914 2HG ARG 914 -13.533 5.203 3.205 615 1HD ARG 914 1HD ARG 914 -12.984 7.304 1.176 616 2HD ARG 914 2HD ARG 914 -14.648 6.683 1.193 617 HE ARG 914 HE ARG 914 -14.119 7.148 3.848 618 1HH1 ARG 914 2HH2 ARG 914 -13.868 9.062 0.885 619 2HH1 ARG 914 1HH2 ARG 914 -14.183 10.588 1.682 620 1HH2 ARG 914 2HH1 ARG 914 -14.534 9.164 4.900 621 2HH2 ARG 914 1HH1 ARG 914 -14.563 10.645 3.970 622 H LYS 915 H LYS 915 -9.548 7.041 1.283 623 HA LYS 915 HA LYS 915 -10.590 9.371 0.252 624 1HB LYS 915 1HB LYS 915 -7.725 8.389 0.447 625 2HB LYS 915 2HB LYS 915 -8.140 10.050 -0.042 626 1HG LYS 915 1HG LYS 915 -9.261 8.807 2.490 627 2HG LYS 915 2HG LYS 915 -7.684 9.632 2.473 628 1HD LYS 915 1HD LYS 915 -8.666 11.707 1.804 629 2HD LYS 915 2HD LYS 915 -10.211 10.926 1.390 630 1HE LYS 915 1HE LYS 915 -10.606 11.934 3.498 631 2HE LYS 915 2HE LYS 915 -10.315 10.221 3.870 632 1HZ LYS 915 1HZ LYS 915 -7.894 11.107 4.056 633 2HZ LYS 915 2HZ LYS 915 -8.660 12.526 4.402 634 3HZ LYS 915 3HZ LYS 915 -8.943 11.189 5.326 635 H ARG 916 H ARG 916 -9.467 6.598 -1.501 636 HA ARG 916 HA ARG 916 -9.364 6.147 -3.741 637 1HB ARG 916 1HB ARG 916 -11.357 8.275 -3.455 638 2HB ARG 916 2HB ARG 916 -10.559 8.305 -5.046 639 1HG ARG 916 1HG ARG 916 -12.214 6.748 -5.485 640 2HG ARG 916 2HG ARG 916 -10.948 5.658 -4.870 641 1HD ARG 916 1HD ARG 916 -13.180 5.246 -3.819 642 2HD ARG 916 2HD ARG 916 -11.932 5.702 -2.640 643 HE ARG 916 HE ARG 916 -13.225 8.072 -3.464 644 1HH1 ARG 916 2HH2 ARG 916 -13.946 5.060 -1.758 645 2HH1 ARG 916 1HH2 ARG 916 -15.199 5.764 -0.761 646 1HH2 ARG 916 2HH1 ARG 916 -14.880 9.002 -2.147 647 2HH2 ARG 916 1HH1 ARG 916 -15.732 8.012 -0.983 648 H ARG 917 H ARG 917 -7.733 8.551 -2.234 649 HA ARG 917 HA ARG 917 -5.958 8.921 -4.555 650 1HB ARG 917 1HB ARG 917 -6.043 11.469 -3.410 651 2HB ARG 917 2HB ARG 917 -6.753 10.989 -4.970 652 1HG ARG 917 1HG ARG 917 -8.327 10.387 -2.490 653 2HG ARG 917 2HG ARG 917 -8.233 12.086 -3.011 654 1HD ARG 917 1HD ARG 917 -8.682 10.642 -5.377 655 2HD ARG 917 2HD ARG 917 -9.731 9.862 -4.174 656 HE ARG 917 HE ARG 917 -10.209 12.355 -5.422 657 1HH1 ARG 917 2HH2 ARG 917 -10.182 10.894 -2.202 658 2HH1 ARG 917 1HH2 ARG 917 -11.405 11.966 -1.556 659 1HH2 ARG 917 2HH1 ARG 917 -11.824 13.771 -4.568 660 2HH2 ARG 917 1HH1 ARG 917 -12.341 13.606 -2.905 661 H LEU 918 H LEU 918 -3.983 8.390 -3.852 662 HA LEU 918 HA LEU 918 -3.111 7.656 -1.440 663 1HB LEU 918 1HB LEU 918 -1.678 9.443 -3.435 664 2HB LEU 918 2HB LEU 918 -0.866 8.701 -2.035 665 HG LEU 918 HG LEU 918 -0.524 7.190 -3.860 666 1HD1 LEU 918 1HD1 LEU 918 -1.192 5.317 -2.757 667 2HD1 LEU 918 2HD1 LEU 918 -1.874 6.449 -1.564 668 3HD1 LEU 918 3HD1 LEU 918 -2.911 5.772 -2.843 669 1HD2 LEU 918 1HD2 LEU 918 -2.114 6.641 -5.483 670 2HD2 LEU 918 2HD2 LEU 918 -3.485 6.989 -4.404 671 3HD2 LEU 918 3HD2 LEU 918 -2.552 8.326 -5.116 672 H VAL 919 H VAL 919 -3.041 8.427 0.584 673 HA VAL 919 HA VAL 919 -3.419 11.350 0.952 674 HB VAL 919 HB VAL 919 -4.738 10.819 2.707 675 1HG1 VAL 919 1HG1 VAL 919 -5.927 8.822 2.432 676 2HG1 VAL 919 2HG1 VAL 919 -5.165 9.007 0.834 677 3HG1 VAL 919 3HG1 VAL 919 -4.466 7.889 2.030 678 1HG2 VAL 919 1HG2 VAL 919 -2.342 9.209 3.405 679 2HG2 VAL 919 2HG2 VAL 919 -3.337 10.277 4.425 680 3HG2 VAL 919 3HG2 VAL 919 -3.872 8.612 4.092 681 H ALA 920 H ALA 920 -2.471 11.656 3.520 682 HA ALA 920 HA ALA 920 0.339 11.913 3.068 683 1HB ALA 920 1HB ALA 920 -1.555 12.334 5.368 684 2HB ALA 920 2HB ALA 920 0.198 12.334 5.678 685 3HB ALA 920 3HB ALA 920 -0.503 13.504 4.534 686 HA PRO 921 HA PRO 921 1.297 7.680 4.147 687 1HB PRO 921 1HB PRO 921 3.929 7.773 3.450 688 2HB PRO 921 2HB PRO 921 2.624 7.794 2.220 689 1HG PRO 921 1HG PRO 921 4.078 10.179 3.399 690 2HG PRO 921 2HG PRO 921 3.845 9.797 1.662 691 1HD PRO 921 1HD PRO 921 2.177 11.504 2.977 692 2HD PRO 921 2HD PRO 921 1.525 10.338 1.786 693 H CYS 922 H CYS 922 1.751 6.955 6.156 694 HA CYS 922 HA CYS 922 3.862 8.243 7.740 695 1HB CYS 922 1HB CYS 922 1.220 9.102 8.042 696 2HB CYS 922 2HB CYS 922 1.435 7.909 9.347 697 HG CYS 922 HG CYS 922 3.759 10.095 8.584 Start of MODEL 17 1 H GLY 835 H GLY 835 -9.231 -4.075 12.555 2 1HA GLY 835 1HA GLY 835 -7.743 -5.459 10.441 3 2HA GLY 835 2HA GLY 835 -9.166 -6.320 11.069 4 H SER 836 H SER 836 -8.292 -2.940 10.128 5 HA SER 836 HA SER 836 -10.942 -2.227 9.378 6 1HB SER 836 1HB SER 836 -8.204 -1.109 9.145 7 2HB SER 836 2HB SER 836 -9.356 -0.560 7.904 8 HG SER 836 HG SER 836 -9.307 -0.092 10.623 9 H ALA 837 H ALA 837 -8.692 -4.339 7.930 10 HA ALA 837 HA ALA 837 -8.971 -3.915 5.193 11 1HB ALA 837 1HB ALA 837 -8.149 -6.071 4.951 12 2HB ALA 837 2HB ALA 837 -7.673 -5.722 6.630 13 3HB ALA 837 3HB ALA 837 -9.119 -6.707 6.301 14 H ASP 838 H ASP 838 -11.143 -5.713 7.425 15 HA ASP 838 HA ASP 838 -13.024 -6.355 5.322 16 1HB ASP 838 1HB ASP 838 -14.304 -7.352 7.054 17 2HB ASP 838 2HB ASP 838 -12.608 -7.624 7.507 18 H GLU 839 H GLU 839 -12.176 -3.447 6.607 19 HA GLU 839 HA GLU 839 -14.953 -2.413 6.737 20 1HB GLU 839 1HB GLU 839 -12.310 -1.623 7.855 21 2HB GLU 839 2HB GLU 839 -13.373 -0.290 7.345 22 1HG GLU 839 1HG GLU 839 -14.992 -2.218 8.702 23 2HG GLU 839 2HG GLU 839 -13.552 -1.932 9.703 24 H THR 840 H THR 840 -12.272 -2.741 4.623 25 HA THR 840 HA THR 840 -13.515 -0.753 2.797 26 HB THR 840 HB THR 840 -11.587 0.412 2.500 27 HG1 THR 840 1HG THR 840 -9.512 -0.749 2.700 28 1HG2 THR 840 1HG2 THR 840 -11.798 0.549 4.899 29 2HG2 THR 840 2HG2 THR 840 -11.055 -1.054 5.114 30 3HG2 THR 840 3HG2 THR 840 -10.070 0.314 4.542 31 H LEU 841 H LEU 841 -10.785 -3.118 2.825 32 HA LEU 841 HA LEU 841 -11.252 -3.947 0.134 33 1HB LEU 841 1HB LEU 841 -9.085 -4.172 1.307 34 2HB LEU 841 2HB LEU 841 -9.810 -5.367 2.408 35 HG LEU 841 HG LEU 841 -8.536 -6.000 0.058 36 1HD1 LEU 841 1HD1 LEU 841 -8.972 -7.717 1.603 37 2HD1 LEU 841 2HD1 LEU 841 -10.711 -7.340 1.677 38 3HD1 LEU 841 3HD1 LEU 841 -10.035 -8.148 0.242 39 1HD2 LEU 841 1HD2 LEU 841 -11.429 -5.408 -0.498 40 2HD2 LEU 841 2HD2 LEU 841 -10.008 -5.220 -1.553 41 3HD2 LEU 841 3HD2 LEU 841 -10.702 -6.835 -1.273 42 H CYS 842 H CYS 842 -13.103 -4.415 2.887 43 HA CYS 842 HA CYS 842 -13.852 -7.151 2.675 44 1HB CYS 842 1HB CYS 842 -14.530 -6.181 4.669 45 2HB CYS 842 2HB CYS 842 -15.014 -4.656 3.886 46 HG CYS 842 HG CYS 842 -16.447 -7.612 3.989 47 H GLN 843 H GLN 843 -14.222 -4.611 0.481 48 HA GLN 843 HA GLN 843 -16.749 -5.707 -0.620 49 1HB GLN 843 1HB GLN 843 -15.309 -3.322 -1.751 50 2HB GLN 843 2HB GLN 843 -17.055 -3.652 -1.651 51 1HG GLN 843 1HG GLN 843 -16.071 -3.609 1.020 52 2HG GLN 843 2HG GLN 843 -15.370 -2.199 0.195 53 1HE2 GLN 843 1HE2 GLN 843 -18.519 -3.969 0.372 54 2HE2 GLN 843 2HE2 GLN 843 -19.514 -2.531 0.457 55 H THR 844 H THR 844 -14.961 -7.609 -0.940 56 HA THR 844 HA THR 844 -14.114 -8.946 -2.609 57 HB THR 844 HB THR 844 -15.632 -6.990 -4.031 58 HG1 THR 844 1HG THR 844 -15.947 -9.202 -4.149 59 1HG2 THR 844 1HG2 THR 844 -14.081 -7.292 -6.185 60 2HG2 THR 844 2HG2 THR 844 -13.849 -5.926 -5.068 61 3HG2 THR 844 3HG2 THR 844 -12.794 -7.356 -4.958 62 H LYS 845 H LYS 845 -13.135 -5.729 -3.878 63 HA LYS 845 HA LYS 845 -10.405 -6.166 -2.851 64 1HB LYS 845 1HB LYS 845 -11.114 -6.922 -5.461 65 2HB LYS 845 2HB LYS 845 -10.333 -5.333 -5.644 66 1HG LYS 845 1HG LYS 845 -8.817 -7.452 -5.638 67 2HG LYS 845 2HG LYS 845 -8.327 -6.068 -4.631 68 1HD LYS 845 1HD LYS 845 -10.161 -7.811 -3.182 69 2HD LYS 845 2HD LYS 845 -8.751 -8.723 -3.774 70 1HE LYS 845 1HE LYS 845 -8.403 -6.033 -2.434 71 2HE LYS 845 2HE LYS 845 -8.589 -7.510 -1.463 72 1HZ LYS 845 1HZ LYS 845 -6.472 -6.829 -3.354 73 2HZ LYS 845 2HZ LYS 845 -6.343 -7.276 -1.771 74 3HZ LYS 845 3HZ LYS 845 -6.753 -8.394 -2.913 75 H VAL 846 H VAL 846 -13.059 -4.208 -3.790 76 HA VAL 846 HA VAL 846 -13.412 -1.946 -3.774 77 HB VAL 846 HB VAL 846 -11.098 -1.182 -2.170 78 1HG1 VAL 846 1HG1 VAL 846 -13.762 -0.508 -2.442 79 2HG1 VAL 846 2HG1 VAL 846 -13.771 -1.439 -0.925 80 3HG1 VAL 846 3HG1 VAL 846 -12.721 -0.010 -1.086 81 1HG2 VAL 846 1HG2 VAL 846 -11.265 -2.692 -0.373 82 2HG2 VAL 846 2HG2 VAL 846 -12.845 -3.309 -0.913 83 3HG2 VAL 846 3HG2 VAL 846 -11.365 -3.762 -1.792 84 H LEU 847 H LEU 847 -9.934 -1.488 -3.256 85 HA LEU 847 HA LEU 847 -8.326 -0.505 -4.552 86 1HB LEU 847 1HB LEU 847 -9.814 -1.248 -7.060 87 2HB LEU 847 2HB LEU 847 -8.068 -1.303 -6.718 88 HG LEU 847 HG LEU 847 -8.827 -3.583 -6.738 89 1HD1 LEU 847 1HD1 LEU 847 -8.530 -2.444 -3.936 90 2HD1 LEU 847 2HD1 LEU 847 -8.618 -4.194 -4.252 91 3HD1 LEU 847 3HD1 LEU 847 -7.288 -3.231 -4.940 92 1HD2 LEU 847 1HD2 LEU 847 -11.281 -2.490 -6.014 93 2HD2 LEU 847 2HD2 LEU 847 -10.909 -4.228 -6.113 94 3HD2 LEU 847 3HD2 LEU 847 -10.790 -3.380 -4.553 95 H LEU 848 H LEU 848 -8.242 1.658 -4.491 96 HA LEU 848 HA LEU 848 -10.110 3.165 -6.229 97 1HB LEU 848 1HB LEU 848 -9.865 3.298 -3.254 98 2HB LEU 848 2HB LEU 848 -9.993 4.846 -4.124 99 HG LEU 848 HG LEU 848 -11.874 2.536 -4.703 100 1HD1 LEU 848 1HD1 LEU 848 -11.663 3.937 -2.237 101 2HD1 LEU 848 2HD1 LEU 848 -13.069 4.622 -3.088 102 3HD1 LEU 848 3HD1 LEU 848 -12.985 2.872 -2.771 103 1HD2 LEU 848 1HD2 LEU 848 -11.416 5.108 -5.811 104 2HD2 LEU 848 2HD2 LEU 848 -12.766 4.003 -6.164 105 3HD2 LEU 848 3HD2 LEU 848 -12.931 5.231 -4.886 106 H ASP 849 H ASP 849 -9.337 5.666 -5.949 107 HA ASP 849 HA ASP 849 -6.627 5.652 -6.981 108 1HB ASP 849 1HB ASP 849 -8.578 7.892 -6.329 109 2HB ASP 849 2HB ASP 849 -7.021 8.113 -7.155 110 H ILE 850 H ILE 850 -6.647 4.609 -4.365 111 HA ILE 850 HA ILE 850 -5.973 6.663 -2.448 112 HB ILE 850 HB ILE 850 -4.911 3.992 -1.902 113 1HG1 ILE 850 1HG1 ILE 850 -6.802 3.571 -3.620 114 2HG1 ILE 850 2HG1 ILE 850 -6.909 2.717 -2.062 115 1HG2 ILE 850 1HG2 ILE 850 -7.317 5.057 -0.511 116 2HG2 ILE 850 2HG2 ILE 850 -5.780 4.462 0.161 117 3HG2 ILE 850 3HG2 ILE 850 -5.887 6.116 -0.487 118 1HD1 ILE 850 1HD1 ILE 850 -9.037 3.580 -2.079 119 2HD1 ILE 850 2HD1 ILE 850 -8.211 5.011 -1.417 120 3HD1 ILE 850 3HD1 ILE 850 -8.594 4.928 -3.153 121 H PHE 851 H PHE 851 -3.771 3.951 -2.899 122 HA PHE 851 HA PHE 851 -1.463 5.586 -2.699 123 1HB PHE 851 1HB PHE 851 -1.464 2.901 -4.060 124 2HB PHE 851 2HB PHE 851 -0.259 3.605 -2.969 125 HD1 PHE 851 1HD PHE 851 -1.374 4.239 -0.541 126 HD2 PHE 851 2HD PHE 851 -2.654 1.121 -3.204 127 HE1 PHE 851 1HE PHE 851 -2.392 3.026 1.368 128 HE2 PHE 851 2HE PHE 851 -3.672 -0.091 -1.295 129 HZ PHE 851 HZ PHE 851 -3.542 0.861 0.991 130 H THR 852 H THR 852 -3.476 6.279 -4.883 131 HA THR 852 HA THR 852 -2.764 5.775 -7.445 132 HB THR 852 HB THR 852 -4.264 7.681 -6.226 133 HG1 THR 852 1HG THR 852 -4.343 8.564 -8.466 134 1HG2 THR 852 1HG2 THR 852 -3.377 9.893 -6.885 135 2HG2 THR 852 2HG2 THR 852 -2.277 9.083 -5.743 136 3HG2 THR 852 3HG2 THR 852 -1.887 9.122 -7.480 137 H GLY 853 H GLY 853 -0.739 5.346 -8.160 138 1HA GLY 853 1HA GLY 853 1.405 5.791 -8.863 139 2HA GLY 853 2HA GLY 853 1.125 7.504 -8.475 140 H VAL 854 H VAL 854 0.458 5.301 -5.903 141 HA VAL 854 HA VAL 854 2.865 6.266 -4.486 142 HB VAL 854 HB VAL 854 0.245 4.996 -3.645 143 1HG1 VAL 854 1HG1 VAL 854 1.038 4.653 -1.467 144 2HG1 VAL 854 2HG1 VAL 854 2.427 4.128 -2.449 145 3HG1 VAL 854 3HG1 VAL 854 2.429 5.740 -1.695 146 1HG2 VAL 854 1HG2 VAL 854 1.618 7.661 -3.436 147 2HG2 VAL 854 2HG2 VAL 854 -0.093 7.286 -3.754 148 3HG2 VAL 854 3HG2 VAL 854 0.553 7.160 -2.101 149 H ARG 855 H ARG 855 4.607 5.024 -4.995 150 HA ARG 855 HA ARG 855 4.271 2.105 -5.221 151 1HB ARG 855 1HB ARG 855 6.394 2.107 -6.228 152 2HB ARG 855 2HB ARG 855 5.689 3.650 -6.769 153 1HG ARG 855 1HG ARG 855 6.804 4.638 -4.619 154 2HG ARG 855 2HG ARG 855 7.792 3.158 -4.649 155 1HD ARG 855 1HD ARG 855 9.012 3.888 -6.407 156 2HD ARG 855 2HD ARG 855 7.564 4.414 -7.292 157 HE ARG 855 HE ARG 855 9.213 6.035 -5.451 158 1HH1 ARG 855 2HH2 ARG 855 6.337 5.707 -7.481 159 2HH1 ARG 855 1HH2 ARG 855 6.045 7.428 -7.582 160 1HH2 ARG 855 2HH1 ARG 855 8.827 8.309 -5.584 161 2HH2 ARG 855 1HH1 ARG 855 7.464 8.912 -6.501 162 H LEU 856 H LEU 856 3.734 1.666 -3.000 163 HA LEU 856 HA LEU 856 5.918 2.186 -1.059 164 1HB LEU 856 1HB LEU 856 4.304 2.295 0.529 165 2HB LEU 856 2HB LEU 856 3.192 2.502 -0.846 166 HG LEU 856 HG LEU 856 2.712 0.130 -0.904 167 1HD1 LEU 856 1HD1 LEU 856 4.498 -1.188 -0.399 168 2HD1 LEU 856 2HD1 LEU 856 5.203 0.027 0.694 169 3HD1 LEU 856 3HD1 LEU 856 3.916 -1.055 1.278 170 1HD2 LEU 856 1HD2 LEU 856 1.366 0.103 0.952 171 2HD2 LEU 856 2HD2 LEU 856 2.705 0.496 2.056 172 3HD2 LEU 856 3HD2 LEU 856 1.925 1.785 1.108 173 H TYR 857 H TYR 857 7.091 0.548 -0.152 174 HA TYR 857 HA TYR 857 7.011 -2.023 -1.489 175 1HB TYR 857 1HB TYR 857 9.167 -1.647 -0.942 176 2HB TYR 857 2HB TYR 857 8.744 -0.549 0.383 177 HD1 TYR 857 1HD TYR 857 9.809 -1.237 2.321 178 HD2 TYR 857 2HD TYR 857 8.014 -4.186 -0.235 179 HE1 TYR 857 1HE TYR 857 10.371 -3.006 3.966 180 HE2 TYR 857 2HE TYR 857 8.575 -5.954 1.411 181 HH TYR 857 HH TYR 857 9.542 -6.442 3.420 182 H LEU 858 H LEU 858 5.187 -3.200 -1.044 183 HA LEU 858 HA LEU 858 4.170 -3.365 1.690 184 1HB LEU 858 1HB LEU 858 2.691 -3.318 -0.329 185 2HB LEU 858 2HB LEU 858 3.359 -4.895 -0.812 186 HG LEU 858 HG LEU 858 2.160 -6.019 0.764 187 1HD1 LEU 858 1HD1 LEU 858 2.728 -3.634 2.566 188 2HD1 LEU 858 2HD1 LEU 858 1.755 -5.033 3.077 189 3HD1 LEU 858 3HD1 LEU 858 3.466 -5.252 2.638 190 1HD2 LEU 858 1HD2 LEU 858 0.622 -4.160 -0.329 191 2HD2 LEU 858 2HD2 LEU 858 0.008 -5.151 1.016 192 3HD2 LEU 858 3HD2 LEU 858 0.599 -3.501 1.324 193 HA PRO 859 HA PRO 859 6.988 -6.754 2.497 194 1HB PRO 859 1HB PRO 859 6.521 -6.901 5.177 195 2HB PRO 859 2HB PRO 859 7.440 -5.543 4.451 196 1HG PRO 859 1HG PRO 859 4.488 -5.605 5.137 197 2HG PRO 859 2HG PRO 859 5.692 -4.368 5.624 198 1HD PRO 859 1HD PRO 859 4.095 -4.015 3.443 199 2HD PRO 859 2HD PRO 859 5.812 -3.515 3.400 200 HA PRO 860 HA PRO 860 4.019 -10.022 2.241 201 1HB PRO 860 1HB PRO 860 5.669 -12.157 2.625 202 2HB PRO 860 2HB PRO 860 5.790 -11.118 1.167 203 1HG PRO 860 1HG PRO 860 7.423 -10.910 3.713 204 2HG PRO 860 2HG PRO 860 8.038 -11.000 2.030 205 1HD PRO 860 1HD PRO 860 7.714 -8.609 3.300 206 2HD PRO 860 2HD PRO 860 7.291 -8.782 1.569 207 H SER 861 H SER 861 6.032 -9.340 5.030 208 HA SER 861 HA SER 861 4.766 -11.298 6.762 209 1HB SER 861 1HB SER 861 7.000 -9.479 6.840 210 2HB SER 861 2HB SER 861 5.971 -9.202 8.266 211 HG SER 861 HG SER 861 6.602 -11.042 9.020 212 H THR 862 H THR 862 3.898 -8.246 5.464 213 HA THR 862 HA THR 862 2.408 -7.215 7.689 214 HB THR 862 HB THR 862 3.113 -6.402 5.075 215 HG1 THR 862 1HG THR 862 2.959 -4.648 6.186 216 1HG2 THR 862 1HG2 THR 862 0.133 -6.780 5.483 217 2HG2 THR 862 2HG2 THR 862 0.764 -5.487 4.434 218 3HG2 THR 862 3HG2 THR 862 1.124 -7.190 4.062 219 HA PRO 863 HA PRO 863 -1.103 -9.869 7.545 220 1HB PRO 863 1HB PRO 863 -2.861 -8.368 8.988 221 2HB PRO 863 2HB PRO 863 -1.390 -9.077 9.731 222 1HG PRO 863 1HG PRO 863 -1.726 -6.269 8.638 223 2HG PRO 863 2HG PRO 863 -1.117 -6.740 10.258 224 1HD PRO 863 1HD PRO 863 0.587 -6.198 8.201 225 2HD PRO 863 2HD PRO 863 0.926 -7.546 9.328 226 H ASP 864 H ASP 864 -2.829 -10.173 6.176 227 HA ASP 864 HA ASP 864 -4.490 -9.669 4.660 228 1HB ASP 864 1HB ASP 864 -4.448 -7.407 6.225 229 2HB ASP 864 2HB ASP 864 -4.079 -6.744 4.619 230 H PHE 865 H PHE 865 -1.230 -9.041 4.487 231 HA PHE 865 HA PHE 865 -0.658 -7.614 2.234 232 1HB PHE 865 1HB PHE 865 0.969 -8.845 3.640 233 2HB PHE 865 2HB PHE 865 0.428 -10.368 2.914 234 HD1 PHE 865 1HD PHE 865 1.987 -7.069 2.107 235 HD2 PHE 865 2HD PHE 865 1.357 -11.141 0.895 236 HE1 PHE 865 1HE PHE 865 3.628 -6.776 0.271 237 HE2 PHE 865 2HE PHE 865 2.998 -10.848 -0.942 238 HZ PHE 865 HZ PHE 865 4.134 -8.666 -1.253 239 H SER 866 H SER 866 -1.754 -11.050 2.279 240 HA SER 866 HA SER 866 -1.729 -11.816 -0.283 241 1HB SER 866 1HB SER 866 -2.976 -12.814 1.783 242 2HB SER 866 2HB SER 866 -4.383 -11.922 1.155 243 HG SER 866 HG SER 866 -3.713 -12.986 -0.932 244 H ARG 867 H ARG 867 -3.831 -9.250 1.022 245 HA ARG 867 HA ARG 867 -4.910 -8.779 -1.700 246 1HB ARG 867 1HB ARG 867 -5.708 -7.439 0.905 247 2HB ARG 867 2HB ARG 867 -6.619 -7.497 -0.622 248 1HG ARG 867 1HG ARG 867 -5.873 -9.971 0.988 249 2HG ARG 867 2HG ARG 867 -7.427 -9.120 1.155 250 1HD ARG 867 1HD ARG 867 -7.986 -9.535 -1.157 251 2HD ARG 867 2HD ARG 867 -6.355 -10.153 -1.497 252 HE ARG 867 HE ARG 867 -7.455 -11.736 0.568 253 1HH1 ARG 867 2HH2 ARG 867 -8.012 -10.972 -2.839 254 2HH1 ARG 867 1HH2 ARG 867 -8.717 -12.529 -3.214 255 1HH2 ARG 867 2HH1 ARG 867 -8.386 -13.792 0.072 256 2HH2 ARG 867 1HH1 ARG 867 -8.930 -14.137 -1.554 257 H LEU 868 H LEU 868 -3.597 -6.885 1.085 258 HA LEU 868 HA LEU 868 -3.231 -4.429 0.159 259 1HB LEU 868 1HB LEU 868 -1.111 -6.213 1.401 260 2HB LEU 868 2HB LEU 868 -0.893 -4.462 1.170 261 HG LEU 868 HG LEU 868 -3.303 -5.634 2.605 262 1HD1 LEU 868 1HD1 LEU 868 -0.761 -5.975 3.528 263 2HD1 LEU 868 2HD1 LEU 868 -1.111 -4.350 4.164 264 3HD1 LEU 868 3HD1 LEU 868 -2.165 -5.719 4.592 265 1HD2 LEU 868 1HD2 LEU 868 -1.989 -2.885 2.676 266 2HD2 LEU 868 2HD2 LEU 868 -3.418 -3.299 1.699 267 3HD2 LEU 868 3HD2 LEU 868 -3.507 -3.358 3.476 268 H ARG 869 H ARG 869 -1.192 -7.187 -0.930 269 HA ARG 869 HA ARG 869 0.343 -5.642 -2.779 270 1HB ARG 869 1HB ARG 869 0.231 -8.317 -1.827 271 2HB ARG 869 2HB ARG 869 0.063 -8.397 -3.597 272 1HG ARG 869 1HG ARG 869 2.032 -6.587 -3.498 273 2HG ARG 869 2HG ARG 869 2.346 -7.375 -1.933 274 1HD ARG 869 1HD ARG 869 2.381 -8.577 -4.710 275 2HD ARG 869 2HD ARG 869 3.638 -8.632 -3.455 276 HE ARG 869 HE ARG 869 1.240 -9.929 -2.548 277 1HH1 ARG 869 2HH2 ARG 869 4.022 -10.304 -4.697 278 2HH1 ARG 869 1HH2 ARG 869 4.022 -12.051 -4.617 279 1HH2 ARG 869 2HH1 ARG 869 1.240 -12.238 -2.442 280 2HH2 ARG 869 1HH1 ARG 869 2.435 -13.154 -3.331 281 H ARG 870 H ARG 870 -1.692 -8.363 -3.860 282 HA ARG 870 HA ARG 870 -2.184 -7.473 -6.410 283 1HB ARG 870 1HB ARG 870 -2.854 -9.677 -5.265 284 2HB ARG 870 2HB ARG 870 -4.323 -8.820 -4.736 285 1HG ARG 870 1HG ARG 870 -5.017 -9.757 -6.768 286 2HG ARG 870 2HG ARG 870 -4.499 -8.131 -7.273 287 1HD ARG 870 1HD ARG 870 -2.169 -9.217 -7.643 288 2HD ARG 870 2HD ARG 870 -3.036 -10.766 -7.575 289 HE ARG 870 HE ARG 870 -4.036 -10.299 -9.635 290 1HH1 ARG 870 2HH2 ARG 870 -2.270 -7.503 -8.384 291 2HH1 ARG 870 1HH2 ARG 870 -2.350 -6.609 -9.885 292 1HH2 ARG 870 2HH1 ARG 870 -4.141 -9.117 -11.618 293 2HH2 ARG 870 1HH1 ARG 870 -3.416 -7.529 -11.729 294 H TYR 871 H TYR 871 -3.518 -6.238 -3.413 295 HA TYR 871 HA TYR 871 -5.721 -4.836 -4.701 296 1HB TYR 871 1HB TYR 871 -5.680 -5.686 -2.319 297 2HB TYR 871 2HB TYR 871 -4.510 -4.407 -1.954 298 HD1 TYR 871 1HD TYR 871 -7.568 -4.312 -4.119 299 HD2 TYR 871 2HD TYR 871 -5.630 -2.915 -0.550 300 HE1 TYR 871 1HE TYR 871 -9.430 -2.721 -3.731 301 HE2 TYR 871 2HE TYR 871 -7.492 -1.323 -0.162 302 HH TYR 871 HH TYR 871 -10.112 -1.245 -0.918 303 H PHE 872 H PHE 872 -2.908 -3.618 -2.792 304 HA PHE 872 HA PHE 872 -3.009 -0.976 -3.570 305 1HB PHE 872 1HB PHE 872 -1.458 -2.003 -1.906 306 2HB PHE 872 2HB PHE 872 -0.497 -2.651 -3.246 307 HD1 PHE 872 1HD PHE 872 0.049 -0.709 -5.106 308 HD2 PHE 872 2HD PHE 872 -0.612 -0.105 -0.905 309 HE1 PHE 872 1HE PHE 872 1.338 1.407 -5.208 310 HE2 PHE 872 2HE PHE 872 0.677 2.011 -1.007 311 HZ PHE 872 HZ PHE 872 1.652 2.767 -3.158 312 H VAL 873 H VAL 873 -0.291 -2.791 -4.949 313 HA VAL 873 HA VAL 873 0.221 -1.408 -7.171 314 HB VAL 873 HB VAL 873 1.530 -3.306 -6.972 315 1HG1 VAL 873 1HG1 VAL 873 0.498 -5.617 -6.739 316 2HG1 VAL 873 2HG1 VAL 873 0.178 -4.516 -5.378 317 3HG1 VAL 873 3HG1 VAL 873 -1.086 -4.817 -6.595 318 1HG2 VAL 873 1HG2 VAL 873 0.788 -3.041 -9.337 319 2HG2 VAL 873 2HG2 VAL 873 1.126 -4.741 -8.928 320 3HG2 VAL 873 3HG2 VAL 873 -0.556 -4.166 -9.023 321 H ALA 874 H ALA 874 -2.610 -3.539 -6.760 322 HA ALA 874 HA ALA 874 -3.539 -3.494 -9.424 323 1HB ALA 874 1HB ALA 874 -4.582 -4.131 -6.742 324 2HB ALA 874 2HB ALA 874 -5.827 -3.539 -7.868 325 3HB ALA 874 3HB ALA 874 -4.843 -4.959 -8.296 326 H PHE 875 H PHE 875 -4.640 -1.459 -6.645 327 HA PHE 875 HA PHE 875 -6.382 0.246 -7.696 328 1HB PHE 875 1HB PHE 875 -3.866 1.205 -6.293 329 2HB PHE 875 2HB PHE 875 -5.423 2.048 -6.362 330 HD1 PHE 875 1HD PHE 875 -6.078 -1.396 -6.117 331 HD2 PHE 875 2HD PHE 875 -4.791 1.960 -3.766 332 HE1 PHE 875 1HE PHE 875 -6.805 -2.563 -4.053 333 HE2 PHE 875 2HE PHE 875 -5.518 0.794 -1.702 334 HZ PHE 875 HZ PHE 875 -6.525 -1.468 -1.845 335 H ASP 876 H ASP 876 -2.847 0.524 -8.343 336 HA ASP 876 HA ASP 876 -2.708 0.962 -10.954 337 1HB ASP 876 1HB ASP 876 -4.341 3.116 -9.782 338 2HB ASP 876 2HB ASP 876 -2.998 3.705 -10.785 339 H GLY 877 H GLY 877 -1.474 1.035 -8.019 340 1HA GLY 877 1HA GLY 877 0.692 2.984 -8.542 341 2HA GLY 877 2HA GLY 877 0.370 2.137 -7.012 342 H ASP 878 H ASP 878 2.457 1.296 -6.754 343 HA ASP 878 HA ASP 878 3.008 -1.074 -8.386 344 1HB ASP 878 1HB ASP 878 4.453 1.473 -8.685 345 2HB ASP 878 2HB ASP 878 5.515 0.097 -8.316 346 H LEU 879 H LEU 879 4.681 -2.433 -7.405 347 HA LEU 879 HA LEU 879 5.264 -1.718 -4.577 348 1HB LEU 879 1HB LEU 879 3.686 -3.988 -5.658 349 2HB LEU 879 2HB LEU 879 4.916 -4.423 -4.446 350 HG LEU 879 HG LEU 879 3.941 -3.076 -2.786 351 1HD1 LEU 879 1HD1 LEU 879 2.679 -1.609 -5.124 352 2HD1 LEU 879 2HD1 LEU 879 2.093 -1.392 -3.458 353 3HD1 LEU 879 3HD1 LEU 879 3.771 -0.970 -3.873 354 1HD2 LEU 879 1HD2 LEU 879 2.313 -4.679 -2.777 355 2HD2 LEU 879 2HD2 LEU 879 1.287 -3.367 -3.405 356 3HD2 LEU 879 3HD2 LEU 879 2.024 -4.536 -4.527 357 H VAL 880 H VAL 880 7.346 -2.049 -4.018 358 HA VAL 880 HA VAL 880 9.019 -3.605 -5.932 359 HB VAL 880 HB VAL 880 10.451 -1.822 -4.110 360 1HG1 VAL 880 1HG1 VAL 880 10.258 -1.535 -7.107 361 2HG1 VAL 880 2HG1 VAL 880 11.677 -1.366 -6.046 362 3HG1 VAL 880 3HG1 VAL 880 11.032 -2.982 -6.417 363 1HG2 VAL 880 1HG2 VAL 880 8.737 -0.253 -4.110 364 2HG2 VAL 880 2HG2 VAL 880 9.574 0.196 -5.615 365 3HG2 VAL 880 3HG2 VAL 880 8.097 -0.796 -5.680 366 H GLN 881 H GLN 881 10.356 -5.204 -5.148 367 HA GLN 881 HA GLN 881 9.658 -6.382 -2.637 368 1HB GLN 881 1HB GLN 881 12.125 -6.912 -4.332 369 2HB GLN 881 2HB GLN 881 11.333 -8.023 -3.189 370 1HG GLN 881 1HG GLN 881 9.856 -8.691 -4.753 371 2HG GLN 881 2HG GLN 881 9.423 -7.011 -5.137 372 1HE2 GLN 881 1HE2 GLN 881 11.087 -9.846 -6.175 373 2HE2 GLN 881 2HE2 GLN 881 11.838 -9.175 -7.607 374 H GLU 882 H GLU 882 10.524 -6.160 -0.636 375 HA GLU 882 HA GLU 882 11.755 -4.065 0.400 376 1HB GLU 882 1HB GLU 882 11.232 -6.152 1.644 377 2HB GLU 882 2HB GLU 882 12.698 -6.902 0.970 378 1HG GLU 882 1HG GLU 882 13.801 -4.642 1.928 379 2HG GLU 882 2HG GLU 882 12.420 -4.756 3.040 380 H PHE 883 H PHE 883 13.917 -6.784 -0.568 381 HA PHE 883 HA PHE 883 16.224 -5.109 -0.687 382 1HB PHE 883 1HB PHE 883 17.332 -7.039 -1.552 383 2HB PHE 883 2HB PHE 883 16.161 -7.601 -0.347 384 HD1 PHE 883 1HD PHE 883 14.172 -8.853 -1.009 385 HD2 PHE 883 2HD PHE 883 17.032 -7.516 -3.921 386 HE1 PHE 883 1HE PHE 883 13.181 -10.388 -2.686 387 HE2 PHE 883 2HE PHE 883 16.041 -9.051 -5.599 388 HZ PHE 883 HZ PHE 883 14.116 -10.486 -4.981 389 H ASP 884 H ASP 884 13.646 -4.566 -2.418 390 HA ASP 884 HA ASP 884 15.201 -3.724 -4.784 391 1HB ASP 884 1HB ASP 884 12.664 -5.396 -4.873 392 2HB ASP 884 2HB ASP 884 13.367 -4.558 -6.272 393 H MET 885 H MET 885 14.993 -1.595 -3.969 394 HA MET 885 HA MET 885 12.319 -0.443 -4.457 395 1HB MET 885 1HB MET 885 13.009 0.980 -2.259 396 2HB MET 885 2HB MET 885 11.986 -0.475 -2.194 397 1HG MET 885 1HG MET 885 14.169 -1.802 -1.971 398 2HG MET 885 2HG MET 885 14.963 -0.247 -1.673 399 1HE MET 885 1HE MET 885 12.307 -2.649 -0.885 400 2HE MET 885 2HE MET 885 12.269 -2.781 0.890 401 3HE MET 885 3HE MET 885 11.272 -1.557 0.067 402 H THR 886 H THR 886 15.814 -0.076 -3.884 403 HA THR 886 HA THR 886 16.766 2.242 -4.082 404 HB THR 886 HB THR 886 18.200 1.749 -5.886 405 HG1 THR 886 1HG THR 886 16.209 0.037 -6.954 406 1HG2 THR 886 1HG2 THR 886 18.111 -0.015 -4.077 407 2HG2 THR 886 2HG2 THR 886 17.021 -0.955 -5.125 408 3HG2 THR 886 3HG2 THR 886 18.688 -0.616 -5.650 409 H SER 887 H SER 887 14.677 1.239 -6.850 410 HA SER 887 HA SER 887 14.317 4.095 -7.530 411 1HB SER 887 1HB SER 887 14.244 1.521 -8.955 412 2HB SER 887 2HB SER 887 12.880 2.591 -9.360 413 HG SER 887 HG SER 887 15.262 3.910 -9.179 414 H ALA 888 H ALA 888 12.829 1.565 -5.763 415 HA ALA 888 HA ALA 888 10.131 1.757 -6.164 416 1HB ALA 888 1HB ALA 888 10.778 0.304 -4.460 417 2HB ALA 888 2HB ALA 888 11.819 1.518 -3.678 418 3HB ALA 888 3HB ALA 888 10.049 1.639 -3.535 419 H THR 889 H THR 889 8.526 2.940 -4.588 420 HA THR 889 HA THR 889 9.329 5.811 -4.489 421 HB THR 889 HB THR 889 7.591 4.927 -6.279 422 HG1 THR 889 1HG THR 889 6.712 6.947 -6.196 423 1HG2 THR 889 1HG2 THR 889 6.093 4.920 -3.648 424 2HG2 THR 889 2HG2 THR 889 5.250 5.292 -5.171 425 3HG2 THR 889 3HG2 THR 889 6.055 3.719 -4.961 426 H HIS 890 H HIS 890 7.142 3.277 -3.163 427 HA HIS 890 HA HIS 890 7.289 4.719 -0.558 428 1HB HIS 890 1HB HIS 890 4.943 3.523 -2.025 429 2HB HIS 890 2HB HIS 890 4.943 3.602 -0.253 430 HD1 HIS 890 1HD HIS 890 5.283 6.052 -3.248 431 HD2 HIS 890 2HD HIS 890 4.195 5.862 0.813 432 HE1 HIS 890 1HE HIS 890 4.358 8.354 -2.626 433 H VAL 891 H VAL 891 6.952 3.287 1.330 434 HA VAL 891 HA VAL 891 7.425 0.422 0.825 435 HB VAL 891 HB VAL 891 9.332 0.529 2.534 436 1HG1 VAL 891 1HG1 VAL 891 10.557 0.232 0.667 437 2HG1 VAL 891 2HG1 VAL 891 9.248 0.957 -0.297 438 3HG1 VAL 891 3HG1 VAL 891 10.539 1.986 0.366 439 1HG2 VAL 891 1HG2 VAL 891 9.125 3.467 1.749 440 2HG2 VAL 891 2HG2 VAL 891 8.930 2.785 3.382 441 3HG2 VAL 891 3HG2 VAL 891 10.520 2.741 2.583 442 H LEU 892 H LEU 892 6.317 -0.797 2.258 443 HA LEU 892 HA LEU 892 4.779 0.567 4.324 444 1HB LEU 892 1HB LEU 892 4.326 -1.601 2.716 445 2HB LEU 892 2HB LEU 892 4.812 -2.396 4.233 446 HG LEU 892 HG LEU 892 3.114 -0.305 5.039 447 1HD1 LEU 892 1HD1 LEU 892 1.547 0.045 3.453 448 2HD1 LEU 892 2HD1 LEU 892 2.582 -0.853 2.318 449 3HD1 LEU 892 3HD1 LEU 892 1.314 -1.705 3.231 450 1HD2 LEU 892 1HD2 LEU 892 1.508 -2.537 5.038 451 2HD2 LEU 892 2HD2 LEU 892 3.125 -3.267 4.901 452 3HD2 LEU 892 3HD2 LEU 892 2.748 -2.190 6.267 453 H GLY 893 H GLY 893 5.493 0.926 6.337 454 1HA GLY 893 1HA GLY 893 6.776 0.773 8.238 455 2HA GLY 893 2HA GLY 893 6.616 -0.986 8.033 456 H SER 894 H SER 894 8.810 1.531 8.270 457 HA SER 894 HA SER 894 11.116 1.453 8.169 458 1HB SER 894 1HB SER 894 10.616 -1.263 6.894 459 2HB SER 894 2HB SER 894 12.231 -0.599 7.238 460 HG SER 894 HG SER 894 11.924 -0.888 9.312 461 H ARG 895 H ARG 895 12.843 1.715 6.499 462 HA ARG 895 HA ARG 895 11.784 2.040 3.753 463 1HB ARG 895 1HB ARG 895 12.899 4.308 3.679 464 2HB ARG 895 2HB ARG 895 11.455 4.226 4.717 465 1HG ARG 895 1HG ARG 895 12.713 4.276 6.696 466 2HG ARG 895 2HG ARG 895 14.189 3.691 5.890 467 1HD ARG 895 1HD ARG 895 14.687 5.780 4.987 468 2HD ARG 895 2HD ARG 895 12.996 6.322 5.038 469 HE ARG 895 HE ARG 895 14.319 5.871 7.634 470 1HH1 ARG 895 2HH2 ARG 895 13.297 8.118 5.102 471 2HH1 ARG 895 1HH2 ARG 895 13.373 9.529 6.134 472 1HH2 ARG 895 2HH1 ARG 895 14.420 7.735 8.996 473 2HH2 ARG 895 1HH1 ARG 895 14.013 9.311 8.354 474 H ASP 896 H ASP 896 14.468 1.792 6.056 475 HA ASP 896 HA ASP 896 16.797 1.981 5.009 476 1HB ASP 896 1HB ASP 896 16.719 0.454 6.776 477 2HB ASP 896 2HB ASP 896 15.542 -0.593 5.953 478 H LYS 897 H LYS 897 15.256 -1.050 3.852 479 HA LYS 897 HA LYS 897 16.689 -1.605 1.663 480 1HB LYS 897 1HB LYS 897 14.026 -1.769 0.707 481 2HB LYS 897 2HB LYS 897 14.984 -3.054 1.483 482 1HG LYS 897 1HG LYS 897 13.084 -2.902 2.869 483 2HG LYS 897 2HG LYS 897 14.281 -1.897 3.721 484 1HD LYS 897 1HD LYS 897 13.308 0.074 2.334 485 2HD LYS 897 2HD LYS 897 11.937 -1.015 2.013 486 1HE LYS 897 1HE LYS 897 12.182 -1.356 4.695 487 2HE LYS 897 2HE LYS 897 12.779 0.312 4.550 488 1HZ LYS 897 1HZ LYS 897 10.286 -0.528 3.284 489 2HZ LYS 897 2HZ LYS 897 10.325 -0.047 4.861 490 3HZ LYS 897 3HZ LYS 897 10.789 0.994 3.669 491 H ASN 898 H ASN 898 14.478 1.154 1.970 492 HA ASN 898 HA ASN 898 15.777 2.451 -0.287 493 1HB ASN 898 1HB ASN 898 13.489 0.871 -0.797 494 2HB ASN 898 2HB ASN 898 12.925 2.556 -0.795 495 1HD2 ASN 898 1HD2 ASN 898 12.689 3.018 -2.941 496 2HD2 ASN 898 2HD2 ASN 898 13.968 2.880 -4.129 497 HA PRO 899 HA PRO 899 14.495 5.372 2.939 498 1HB PRO 899 1HB PRO 899 16.569 7.103 2.587 499 2HB PRO 899 2HB PRO 899 16.783 5.527 3.416 500 1HG PRO 899 1HG PRO 899 17.318 6.157 0.499 501 2HG PRO 899 2HG PRO 899 18.436 5.379 1.667 502 1HD PRO 899 1HD PRO 899 16.899 3.901 -0.031 503 2HD PRO 899 2HD PRO 899 17.150 3.371 1.660 504 H ALA 900 H ALA 900 14.849 5.459 -0.487 505 HA ALA 900 HA ALA 900 13.946 8.238 -0.754 506 1HB ALA 900 1HB ALA 900 15.557 6.740 -2.292 507 2HB ALA 900 2HB ALA 900 14.004 6.331 -3.060 508 3HB ALA 900 3HB ALA 900 14.531 8.029 -2.968 509 H ALA 901 H ALA 901 12.501 5.370 0.086 510 HA ALA 901 HA ALA 901 10.044 5.836 -1.491 511 1HB ALA 901 1HB ALA 901 10.751 3.637 0.491 512 2HB ALA 901 2HB ALA 901 9.333 3.680 -0.584 513 3HB ALA 901 3HB ALA 901 10.968 3.533 -1.273 514 H GLN 902 H GLN 902 8.283 4.720 0.522 515 HA GLN 902 HA GLN 902 8.334 6.900 2.554 516 1HB GLN 902 1HB GLN 902 6.231 6.091 0.598 517 2HB GLN 902 2HB GLN 902 5.684 6.466 2.250 518 1HG GLN 902 1HG GLN 902 7.327 8.250 0.409 519 2HG GLN 902 2HG GLN 902 5.649 8.511 0.932 520 1HE2 GLN 902 1HE2 GLN 902 6.029 7.655 3.683 521 2HE2 GLN 902 2HE2 GLN 902 6.967 8.897 4.484 522 H GLN 903 H GLN 903 7.972 6.269 4.629 523 HA GLN 903 HA GLN 903 7.713 3.375 5.095 524 1HB GLN 903 1HB GLN 903 8.296 5.757 6.894 525 2HB GLN 903 2HB GLN 903 8.159 4.081 7.479 526 1HG GLN 903 1HG GLN 903 10.325 3.786 6.942 527 2HG GLN 903 2HG GLN 903 9.869 3.962 5.234 528 1HE2 GLN 903 1HE2 GLN 903 10.141 5.984 4.176 529 2HE2 GLN 903 2HE2 GLN 903 11.152 7.244 4.852 530 H VAL 904 H VAL 904 5.406 3.815 4.061 531 HA VAL 904 HA VAL 904 3.456 4.965 5.876 532 HB VAL 904 HB VAL 904 2.081 4.827 4.083 533 1HG1 VAL 904 1HG1 VAL 904 4.491 5.321 3.190 534 2HG1 VAL 904 2HG1 VAL 904 4.398 3.680 2.507 535 3HG1 VAL 904 3HG1 VAL 904 3.214 4.916 2.018 536 1HG2 VAL 904 1HG2 VAL 904 3.137 1.990 3.744 537 2HG2 VAL 904 2HG2 VAL 904 1.575 2.481 4.443 538 3HG2 VAL 904 3HG2 VAL 904 1.887 2.716 2.706 539 H SER 905 H SER 905 1.453 3.530 6.411 540 HA SER 905 HA SER 905 2.411 0.873 7.359 541 1HB SER 905 1HB SER 905 1.824 3.100 8.956 542 2HB SER 905 2HB SER 905 0.363 2.088 9.048 543 HG SER 905 HG SER 905 2.913 1.622 9.982 544 HA PRO 906 HA PRO 906 -1.454 -0.841 6.096 545 1HB PRO 906 1HB PRO 906 -2.757 -1.852 8.265 546 2HB PRO 906 2HB PRO 906 -1.162 -2.483 7.742 547 1HG PRO 906 1HG PRO 906 -1.703 -0.399 9.876 548 2HG PRO 906 2HG PRO 906 -0.714 -1.887 10.034 549 1HD PRO 906 1HD PRO 906 0.426 0.523 9.469 550 2HD PRO 906 2HD PRO 906 1.009 -0.967 8.667 551 H GLU 907 H GLU 907 -1.757 1.485 8.774 552 HA GLU 907 HA GLU 907 -4.564 1.978 8.417 553 1HB GLU 907 1HB GLU 907 -2.298 3.510 9.734 554 2HB GLU 907 2HB GLU 907 -3.983 4.085 9.734 555 1HG GLU 907 1HG GLU 907 -4.446 2.721 11.459 556 2HG GLU 907 2HG GLU 907 -4.007 1.317 10.461 557 H TRP 908 H TRP 908 -1.646 3.032 6.791 558 HA TRP 908 HA TRP 908 -2.716 5.449 5.670 559 1HB TRP 908 1HB TRP 908 -0.311 4.948 5.864 560 2HB TRP 908 2HB TRP 908 -0.496 3.613 4.717 561 HD1 TRP 908 HD TRP 908 -0.658 7.447 4.872 562 HE1 TRP 908 1HE TRP 908 -0.177 8.419 2.567 563 HE3 TRP 908 3HE TRP 908 -0.459 3.094 2.186 564 HZ2 TRP 908 2HZ TRP 908 0.243 7.436 -0.123 565 HZ3 TRP 908 3HZ TRP 908 -0.017 3.152 -0.241 566 HH2 TRP 908 HH TRP 908 0.334 5.309 -1.408 567 H ILE 909 H ILE 909 -2.192 2.153 4.295 568 HA ILE 909 HA ILE 909 -3.303 2.535 1.791 569 HB ILE 909 HB ILE 909 -3.047 0.234 3.682 570 1HG1 ILE 909 1HG1 ILE 909 -2.409 -0.239 0.898 571 2HG1 ILE 909 2HG1 ILE 909 -1.714 1.316 1.413 572 1HG2 ILE 909 1HG2 ILE 909 -5.160 -0.436 2.978 573 2HG2 ILE 909 2HG2 ILE 909 -5.033 0.429 1.427 574 3HG2 ILE 909 3HG2 ILE 909 -4.159 -1.103 1.666 575 1HD1 ILE 909 1HD1 ILE 909 -0.028 -0.111 2.112 576 2HD1 ILE 909 2HD1 ILE 909 -1.045 -0.116 3.572 577 3HD1 ILE 909 3HD1 ILE 909 -1.149 -1.461 2.411 578 H TRP 910 H TRP 910 -5.016 1.722 4.853 579 HA TRP 910 HA TRP 910 -7.612 1.632 3.679 580 1HB TRP 910 1HB TRP 910 -7.006 2.452 6.520 581 2HB TRP 910 2HB TRP 910 -8.409 1.571 5.900 582 HD1 TRP 910 HD TRP 910 -5.767 0.892 8.054 583 HE1 TRP 910 1HE TRP 910 -4.933 -1.515 8.012 584 HE3 TRP 910 3HE TRP 910 -7.779 -0.582 3.584 585 HZ2 TRP 910 2HZ TRP 910 -5.111 -3.809 6.257 586 HZ3 TRP 910 3HZ TRP 910 -7.426 -2.881 2.762 587 HH2 TRP 910 HH TRP 910 -6.098 -4.503 4.082 588 H ALA 911 H ALA 911 -6.333 4.145 5.929 589 HA ALA 911 HA ALA 911 -8.255 6.078 5.460 590 1HB ALA 911 1HB ALA 911 -5.321 6.761 5.774 591 2HB ALA 911 2HB ALA 911 -6.740 7.617 6.424 592 3HB ALA 911 3HB ALA 911 -6.260 6.043 7.105 593 H CYS 912 H CYS 912 -5.534 5.111 3.424 594 HA CYS 912 HA CYS 912 -5.670 7.412 1.680 595 1HB CYS 912 1HB CYS 912 -4.427 4.648 1.389 596 2HB CYS 912 2HB CYS 912 -4.219 5.972 0.216 597 HG CYS 912 HG CYS 912 -3.898 6.863 3.273 598 H ILE 913 H ILE 913 -6.113 3.999 0.674 599 HA ILE 913 HA ILE 913 -7.634 4.421 -1.560 600 HB ILE 913 HB ILE 913 -6.823 2.218 -0.837 601 1HG1 ILE 913 1HG1 ILE 913 -9.847 2.407 -1.166 602 2HG1 ILE 913 2HG1 ILE 913 -8.643 2.272 -2.469 603 1HG2 ILE 913 1HG2 ILE 913 -7.237 1.446 1.240 604 2HG2 ILE 913 2HG2 ILE 913 -8.148 2.937 1.579 605 3HG2 ILE 913 3HG2 ILE 913 -8.991 1.504 0.941 606 1HD1 ILE 913 1HD1 ILE 913 -8.242 0.163 -0.514 607 2HD1 ILE 913 2HD1 ILE 913 -9.926 0.154 -1.088 608 3HD1 ILE 913 3HD1 ILE 913 -8.588 0.028 -2.255 609 H ARG 914 H ARG 914 -8.677 4.621 1.823 610 HA ARG 914 HA ARG 914 -11.498 4.724 1.215 611 1HB ARG 914 1HB ARG 914 -10.423 4.056 3.423 612 2HB ARG 914 2HB ARG 914 -10.072 5.782 3.680 613 1HG ARG 914 1HG ARG 914 -12.270 4.868 4.687 614 2HG ARG 914 2HG ARG 914 -12.382 6.356 3.717 615 1HD ARG 914 1HD ARG 914 -12.647 3.751 2.268 616 2HD ARG 914 2HD ARG 914 -14.000 4.238 3.311 617 HE ARG 914 HE ARG 914 -13.214 6.448 1.686 618 1HH1 ARG 914 2HH2 ARG 914 -14.776 3.281 1.504 619 2HH1 ARG 914 1HH2 ARG 914 -15.761 3.695 0.118 620 1HH2 ARG 914 2HH1 ARG 914 -14.516 6.994 -0.144 621 2HH2 ARG 914 1HH1 ARG 914 -15.613 5.811 -0.821 622 H LYS 915 H LYS 915 -8.853 7.076 1.546 623 HA LYS 915 HA LYS 915 -10.692 9.347 1.419 624 1HB LYS 915 1HB LYS 915 -7.675 9.030 1.484 625 2HB LYS 915 2HB LYS 915 -8.468 10.610 1.269 626 1HG LYS 915 1HG LYS 915 -9.242 8.759 3.542 627 2HG LYS 915 2HG LYS 915 -7.861 9.872 3.689 628 1HD LYS 915 1HD LYS 915 -9.246 11.793 3.369 629 2HD LYS 915 2HD LYS 915 -10.611 10.805 2.796 630 1HE LYS 915 1HE LYS 915 -11.097 11.423 5.071 631 2HE LYS 915 2HE LYS 915 -10.645 9.705 5.081 632 1HZ LYS 915 1HZ LYS 915 -8.613 11.735 5.524 633 2HZ LYS 915 2HZ LYS 915 -9.617 11.308 6.760 634 3HZ LYS 915 3HZ LYS 915 -8.663 10.170 6.043 635 H ARG 916 H ARG 916 -9.315 7.151 -0.780 636 HA ARG 916 HA ARG 916 -9.331 7.090 -3.070 637 1HB ARG 916 1HB ARG 916 -11.272 9.169 -2.382 638 2HB ARG 916 2HB ARG 916 -10.480 9.484 -3.944 639 1HG ARG 916 1HG ARG 916 -11.330 6.667 -3.415 640 2HG ARG 916 2HG ARG 916 -12.627 7.853 -3.695 641 1HD ARG 916 1HD ARG 916 -10.575 8.380 -5.606 642 2HD ARG 916 2HD ARG 916 -10.852 6.625 -5.611 643 HE ARG 916 HE ARG 916 -13.382 7.862 -5.624 644 1HH1 ARG 916 2HH2 ARG 916 -10.500 7.638 -7.659 645 2HH1 ARG 916 1HH2 ARG 916 -11.377 7.839 -9.160 646 1HH2 ARG 916 2HH1 ARG 916 -14.540 8.127 -7.606 647 2HH2 ARG 916 1HH1 ARG 916 -13.680 8.118 -9.129 648 H ARG 917 H ARG 917 -7.654 9.189 -1.176 649 HA ARG 917 HA ARG 917 -5.860 9.888 -3.402 650 1HB ARG 917 1HB ARG 917 -5.876 12.240 -1.945 651 2HB ARG 917 2HB ARG 917 -6.694 11.987 -3.506 652 1HG ARG 917 1HG ARG 917 -8.133 11.077 -1.040 653 2HG ARG 917 2HG ARG 917 -8.015 12.832 -1.314 654 1HD ARG 917 1HD ARG 917 -8.709 12.102 -3.798 655 2HD ARG 917 2HD ARG 917 -9.421 10.728 -2.926 656 HE ARG 917 HE ARG 917 -10.329 12.862 -1.490 657 1HH1 ARG 917 2HH2 ARG 917 -10.277 12.089 -4.940 658 2HH1 ARG 917 1HH2 ARG 917 -11.742 12.975 -5.300 659 1HH2 ARG 917 2HH1 ARG 917 -12.263 14.033 -1.966 660 2HH2 ARG 917 1HH1 ARG 917 -12.874 14.084 -3.605 661 H LEU 918 H LEU 918 -3.886 9.258 -2.782 662 HA LEU 918 HA LEU 918 -3.072 8.157 -0.467 663 1HB LEU 918 1HB LEU 918 -1.640 9.989 -2.389 664 2HB LEU 918 2HB LEU 918 -0.793 9.368 -0.952 665 HG LEU 918 HG LEU 918 -0.394 7.483 -2.133 666 1HD1 LEU 918 1HD1 LEU 918 -3.430 7.259 -1.988 667 2HD1 LEU 918 2HD1 LEU 918 -2.343 5.924 -2.439 668 3HD1 LEU 918 3HD1 LEU 918 -2.255 6.630 -0.807 669 1HD2 LEU 918 1HD2 LEU 918 -0.673 8.565 -4.251 670 2HD2 LEU 918 2HD2 LEU 918 -1.632 7.068 -4.343 671 3HD2 LEU 918 3HD2 LEU 918 -2.442 8.629 -4.066 672 H VAL 919 H VAL 919 -2.919 8.681 1.634 673 HA VAL 919 HA VAL 919 -3.215 11.549 2.348 674 HB VAL 919 HB VAL 919 -4.349 10.859 4.224 675 1HG1 VAL 919 1HG1 VAL 919 -4.759 9.127 1.915 676 2HG1 VAL 919 2HG1 VAL 919 -5.134 8.268 3.428 677 3HG1 VAL 919 3HG1 VAL 919 -5.958 9.799 3.046 678 1HG2 VAL 919 1HG2 VAL 919 -2.193 8.884 4.289 679 2HG2 VAL 919 2HG2 VAL 919 -3.132 9.578 5.633 680 3HG2 VAL 919 3HG2 VAL 919 -3.754 8.163 4.750 681 H ALA 920 H ALA 920 -2.245 11.311 5.006 682 HA ALA 920 HA ALA 920 0.573 11.650 4.514 683 1HB ALA 920 1HB ALA 920 0.687 12.184 6.867 684 2HB ALA 920 2HB ALA 920 -0.807 12.900 6.217 685 3HB ALA 920 3HB ALA 920 -0.883 11.400 7.172 686 HA PRO 921 HA PRO 921 1.429 7.276 4.946 687 1HB PRO 921 1HB PRO 921 4.035 7.398 4.160 688 2HB PRO 921 2HB PRO 921 2.686 7.620 2.999 689 1HG PRO 921 1HG PRO 921 4.254 9.784 4.430 690 2HG PRO 921 2HG PRO 921 3.944 9.649 2.668 691 1HD PRO 921 1HD PRO 921 2.380 11.202 4.272 692 2HD PRO 921 2HD PRO 921 1.649 10.227 2.961 693 H CYS 922 H CYS 922 1.983 6.243 6.793 694 HA CYS 922 HA CYS 922 2.597 7.371 9.177 695 1HB CYS 922 1HB CYS 922 2.150 5.045 9.137 696 2HB CYS 922 2HB CYS 922 3.473 4.724 7.988 697 HG CYS 922 HG CYS 922 3.580 4.120 10.824 Start of MODEL 18 1 H GLY 835 H GLY 835 -12.805 -2.974 11.686 2 1HA GLY 835 1HA GLY 835 -15.401 -1.892 11.199 3 2HA GLY 835 2HA GLY 835 -14.619 -1.005 12.527 4 H SER 836 H SER 836 -13.780 -2.340 9.275 5 HA SER 836 HA SER 836 -13.110 0.177 8.162 6 1HB SER 836 1HB SER 836 -10.550 -0.379 8.066 7 2HB SER 836 2HB SER 836 -11.218 0.408 9.516 8 HG SER 836 HG SER 836 -9.830 -1.555 9.766 9 H ALA 837 H ALA 837 -10.718 -2.271 7.605 10 HA ALA 837 HA ALA 837 -11.044 -2.623 4.946 11 1HB ALA 837 1HB ALA 837 -9.798 -4.571 5.154 12 2HB ALA 837 2HB ALA 837 -9.485 -3.805 6.730 13 3HB ALA 837 3HB ALA 837 -10.686 -5.111 6.600 14 H ASP 838 H ASP 838 -12.623 -4.867 7.299 15 HA ASP 838 HA ASP 838 -14.240 -6.254 5.562 16 1HB ASP 838 1HB ASP 838 -14.965 -5.215 8.328 17 2HB ASP 838 2HB ASP 838 -15.778 -6.548 7.478 18 H GLU 839 H GLU 839 -14.588 -2.911 6.667 19 HA GLU 839 HA GLU 839 -17.251 -2.701 5.421 20 1HB GLU 839 1HB GLU 839 -15.643 -1.196 7.384 21 2HB GLU 839 2HB GLU 839 -16.506 -0.165 6.217 22 1HG GLU 839 1HG GLU 839 -18.106 -2.427 7.249 23 2HG GLU 839 2HG GLU 839 -17.619 -1.258 8.496 24 H THR 840 H THR 840 -13.860 -1.856 4.869 25 HA THR 840 HA THR 840 -14.590 -0.227 2.519 26 HB THR 840 HB THR 840 -11.970 -0.856 3.924 27 HG1 THR 840 1HG THR 840 -12.834 0.752 4.998 28 1HG2 THR 840 1HG2 THR 840 -11.841 -0.648 1.362 29 2HG2 THR 840 2HG2 THR 840 -12.370 1.038 1.582 30 3HG2 THR 840 3HG2 THR 840 -10.839 0.484 2.302 31 H LEU 841 H LEU 841 -12.071 -2.745 3.069 32 HA LEU 841 HA LEU 841 -11.884 -3.533 0.383 33 1HB LEU 841 1HB LEU 841 -10.272 -4.101 2.198 34 2HB LEU 841 2HB LEU 841 -11.463 -5.242 2.866 35 HG LEU 841 HG LEU 841 -9.555 -5.953 1.055 36 1HD1 LEU 841 1HD1 LEU 841 -10.585 -7.954 1.301 37 2HD1 LEU 841 2HD1 LEU 841 -11.808 -7.087 2.261 38 3HD1 LEU 841 3HD1 LEU 841 -12.074 -7.364 0.523 39 1HD2 LEU 841 1HD2 LEU 841 -11.105 -4.315 -0.483 40 2HD2 LEU 841 2HD2 LEU 841 -10.187 -5.696 -1.129 41 3HD2 LEU 841 3HD2 LEU 841 -11.918 -5.875 -0.755 42 H CYS 842 H CYS 842 -14.613 -3.639 2.222 43 HA CYS 842 HA CYS 842 -15.649 -6.246 1.780 44 1HB CYS 842 1HB CYS 842 -17.629 -5.377 2.615 45 2HB CYS 842 2HB CYS 842 -16.475 -4.164 3.224 46 HG CYS 842 HG CYS 842 -18.997 -3.779 1.576 47 H GLN 843 H GLN 843 -14.746 -3.865 -0.438 48 HA GLN 843 HA GLN 843 -16.746 -4.805 -2.433 49 1HB GLN 843 1HB GLN 843 -14.885 -2.470 -2.846 50 2HB GLN 843 2HB GLN 843 -16.508 -2.757 -3.520 51 1HG GLN 843 1HG GLN 843 -16.686 -2.714 -0.645 52 2HG GLN 843 2HG GLN 843 -15.803 -1.270 -1.183 53 1HE2 GLN 843 1HE2 GLN 843 -18.309 -1.026 0.017 54 2HE2 GLN 843 2HE2 GLN 843 -19.479 -0.507 -1.178 55 H THR 844 H THR 844 -14.775 -6.636 -1.777 56 HA THR 844 HA THR 844 -12.960 -7.795 -2.600 57 HB THR 844 HB THR 844 -14.911 -7.276 -4.679 58 HG1 THR 844 1HG THR 844 -14.792 -9.295 -4.011 59 1HG2 THR 844 1HG2 THR 844 -11.982 -7.331 -5.446 60 2HG2 THR 844 2HG2 THR 844 -13.219 -8.012 -6.530 61 3HG2 THR 844 3HG2 THR 844 -13.285 -6.293 -6.075 62 H LYS 845 H LYS 845 -11.072 -6.796 -2.031 63 HA LYS 845 HA LYS 845 -9.342 -5.255 -2.124 64 1HB LYS 845 1HB LYS 845 -9.603 -6.501 -4.865 65 2HB LYS 845 2HB LYS 845 -8.301 -5.339 -4.513 66 1HG LYS 845 1HG LYS 845 -7.652 -7.748 -4.125 67 2HG LYS 845 2HG LYS 845 -7.485 -6.716 -2.685 68 1HD LYS 845 1HD LYS 845 -10.149 -7.994 -3.042 69 2HD LYS 845 2HD LYS 845 -8.806 -9.108 -2.694 70 1HE LYS 845 1HE LYS 845 -8.518 -6.812 -1.001 71 2HE LYS 845 2HE LYS 845 -10.201 -7.370 -0.884 72 1HZ LYS 845 1HZ LYS 845 -8.180 -9.407 -0.803 73 2HZ LYS 845 2HZ LYS 845 -8.229 -8.398 0.500 74 3HZ LYS 845 3HZ LYS 845 -9.571 -9.256 0.070 75 H VAL 846 H VAL 846 -12.259 -4.518 -3.547 76 HA VAL 846 HA VAL 846 -12.978 -2.688 -4.850 77 HB VAL 846 HB VAL 846 -13.419 -1.064 -3.294 78 1HG1 VAL 846 1HG1 VAL 846 -13.260 -3.531 -2.232 79 2HG1 VAL 846 2HG1 VAL 846 -12.024 -2.733 -1.230 80 3HG1 VAL 846 3HG1 VAL 846 -13.691 -2.109 -1.253 81 1HG2 VAL 846 1HG2 VAL 846 -11.696 -0.172 -1.721 82 2HG2 VAL 846 2HG2 VAL 846 -10.519 -1.327 -2.391 83 3HG2 VAL 846 3HG2 VAL 846 -11.191 -0.042 -3.423 84 H LEU 847 H LEU 847 -9.754 -1.851 -3.449 85 HA LEU 847 HA LEU 847 -7.881 -1.006 -4.479 86 1HB LEU 847 1HB LEU 847 -9.374 -1.189 -7.117 87 2HB LEU 847 2HB LEU 847 -7.614 -1.160 -6.852 88 HG LEU 847 HG LEU 847 -8.314 -3.458 -7.293 89 1HD1 LEU 847 1HD1 LEU 847 -7.178 -4.450 -5.518 90 2HD1 LEU 847 2HD1 LEU 847 -6.681 -2.752 -5.321 91 3HD1 LEU 847 3HD1 LEU 847 -7.974 -3.425 -4.299 92 1HD2 LEU 847 1HD2 LEU 847 -9.839 -4.386 -5.266 93 2HD2 LEU 847 2HD2 LEU 847 -10.440 -2.712 -5.322 94 3HD2 LEU 847 3HD2 LEU 847 -10.539 -3.743 -6.770 95 H LEU 848 H LEU 848 -8.981 0.510 -7.220 96 HA LEU 848 HA LEU 848 -9.944 2.608 -7.625 97 1HB LEU 848 1HB LEU 848 -10.415 2.305 -4.772 98 2HB LEU 848 2HB LEU 848 -9.893 3.963 -5.153 99 HG LEU 848 HG LEU 848 -11.985 2.579 -6.847 100 1HD1 LEU 848 1HD1 LEU 848 -12.228 3.202 -4.052 101 2HD1 LEU 848 2HD1 LEU 848 -13.205 4.372 -4.971 102 3HD1 LEU 848 3HD1 LEU 848 -13.487 2.626 -5.169 103 1HD2 LEU 848 1HD2 LEU 848 -10.962 5.361 -6.344 104 2HD2 LEU 848 2HD2 LEU 848 -11.390 4.569 -7.880 105 3HD2 LEU 848 3HD2 LEU 848 -12.672 5.160 -6.795 106 H ASP 849 H ASP 849 -9.134 5.018 -7.141 107 HA ASP 849 HA ASP 849 -6.270 4.928 -7.624 108 1HB ASP 849 1HB ASP 849 -8.266 7.209 -7.375 109 2HB ASP 849 2HB ASP 849 -6.562 7.406 -7.840 110 H ILE 850 H ILE 850 -6.634 3.836 -5.145 111 HA ILE 850 HA ILE 850 -6.527 5.762 -3.018 112 HB ILE 850 HB ILE 850 -5.760 2.835 -3.261 113 1HG1 ILE 850 1HG1 ILE 850 -7.795 2.486 -1.983 114 2HG1 ILE 850 2HG1 ILE 850 -7.997 4.238 -1.743 115 1HG2 ILE 850 1HG2 ILE 850 -5.598 4.751 -0.909 116 2HG2 ILE 850 2HG2 ILE 850 -5.755 2.992 -0.690 117 3HG2 ILE 850 3HG2 ILE 850 -4.337 3.661 -1.532 118 1HD1 ILE 850 1HD1 ILE 850 -8.397 4.593 -4.096 119 2HD1 ILE 850 2HD1 ILE 850 -7.930 2.921 -4.486 120 3HD1 ILE 850 3HD1 ILE 850 -9.434 3.239 -3.587 121 H PHE 851 H PHE 851 -3.914 3.453 -3.896 122 HA PHE 851 HA PHE 851 -1.936 5.460 -3.074 123 1HB PHE 851 1HB PHE 851 -1.357 2.725 -4.206 124 2HB PHE 851 2HB PHE 851 -0.400 3.683 -3.063 125 HD1 PHE 851 1HD PHE 851 -0.827 3.611 -0.704 126 HD2 PHE 851 2HD PHE 851 -3.420 1.567 -3.451 127 HE1 PHE 851 1HE PHE 851 -1.882 2.405 1.190 128 HE2 PHE 851 2HE PHE 851 -4.474 0.360 -1.558 129 HZ PHE 851 HZ PHE 851 -3.705 0.780 0.762 130 H THR 852 H THR 852 -3.543 6.031 -5.451 131 HA THR 852 HA THR 852 -2.683 5.508 -7.920 132 HB THR 852 HB THR 852 -3.991 7.618 -6.764 133 HG1 THR 852 1HG THR 852 -4.602 7.247 -8.748 134 1HG2 THR 852 1HG2 THR 852 -2.796 9.663 -7.598 135 2HG2 THR 852 2HG2 THR 852 -1.933 8.839 -6.277 136 3HG2 THR 852 3HG2 THR 852 -1.382 8.644 -7.959 137 H GLY 853 H GLY 853 -0.691 4.874 -8.551 138 1HA GLY 853 1HA GLY 853 1.519 5.115 -9.159 139 2HA GLY 853 2HA GLY 853 1.442 6.814 -8.640 140 H VAL 854 H VAL 854 0.659 6.461 -5.945 141 HA VAL 854 HA VAL 854 2.915 6.394 -4.500 142 HB VAL 854 HB VAL 854 0.114 5.603 -3.968 143 1HG1 VAL 854 1HG1 VAL 854 0.502 4.494 -1.894 144 2HG1 VAL 854 2HG1 VAL 854 1.573 3.679 -3.059 145 3HG1 VAL 854 3HG1 VAL 854 2.240 4.877 -1.925 146 1HG2 VAL 854 1HG2 VAL 854 1.237 6.938 -1.780 147 2HG2 VAL 854 2HG2 VAL 854 2.134 7.578 -3.178 148 3HG2 VAL 854 3HG2 VAL 854 0.359 7.692 -3.133 149 H ARG 855 H ARG 855 4.650 5.100 -4.535 150 HA ARG 855 HA ARG 855 4.206 2.187 -4.952 151 1HB ARG 855 1HB ARG 855 6.332 2.100 -5.941 152 2HB ARG 855 2HB ARG 855 5.698 3.666 -6.503 153 1HG ARG 855 1HG ARG 855 6.831 4.639 -4.365 154 2HG ARG 855 2HG ARG 855 7.743 3.110 -4.338 155 1HD ARG 855 1HD ARG 855 9.020 3.716 -6.107 156 2HD ARG 855 2HD ARG 855 7.622 4.340 -7.010 157 HE ARG 855 HE ARG 855 9.408 5.850 -5.225 158 1HH1 ARG 855 2HH2 ARG 855 6.384 5.712 -7.051 159 2HH1 ARG 855 1HH2 ARG 855 6.180 7.449 -7.109 160 1HH2 ARG 855 2HH1 ARG 855 9.138 8.144 -5.301 161 2HH2 ARG 855 1HH1 ARG 855 7.751 8.835 -6.110 162 H LEU 856 H LEU 856 3.747 1.556 -2.831 163 HA LEU 856 HA LEU 856 5.839 2.170 -0.809 164 1HB LEU 856 1HB LEU 856 4.178 2.244 0.725 165 2HB LEU 856 2HB LEU 856 3.082 2.367 -0.672 166 HG LEU 856 HG LEU 856 2.681 0.001 -0.680 167 1HD1 LEU 856 1HD1 LEU 856 3.972 -1.223 1.378 168 2HD1 LEU 856 2HD1 LEU 856 4.606 -1.180 -0.285 169 3HD1 LEU 856 3HD1 LEU 856 5.197 -0.014 0.923 170 1HD2 LEU 856 1HD2 LEU 856 2.760 0.316 2.279 171 2HD2 LEU 856 2HD2 LEU 856 1.921 1.610 1.391 172 3HD2 LEU 856 3HD2 LEU 856 1.393 -0.080 1.210 173 H TYR 857 H TYR 857 7.007 0.546 0.150 174 HA TYR 857 HA TYR 857 7.019 -2.018 -1.229 175 1HB TYR 857 1HB TYR 857 9.167 -1.657 -0.680 176 2HB TYR 857 2HB TYR 857 8.740 -0.474 0.568 177 HD1 TYR 857 1HD TYR 857 9.497 -0.984 2.685 178 HD2 TYR 857 2HD TYR 857 8.347 -4.186 0.063 179 HE1 TYR 857 1HE TYR 857 10.073 -2.632 4.446 180 HE2 TYR 857 2HE TYR 857 8.923 -5.835 1.824 181 HH TYR 857 HH TYR 857 9.839 -4.871 5.101 182 H LEU 858 H LEU 858 5.145 -3.148 -0.771 183 HA LEU 858 HA LEU 858 4.231 -3.398 1.995 184 1HB LEU 858 1HB LEU 858 2.651 -3.249 0.083 185 2HB LEU 858 2HB LEU 858 3.303 -4.778 -0.555 186 HG LEU 858 HG LEU 858 2.179 -6.031 0.977 187 1HD1 LEU 858 1HD1 LEU 858 2.916 -3.815 2.920 188 2HD1 LEU 858 2HD1 LEU 858 1.874 -5.181 3.388 189 3HD1 LEU 858 3HD1 LEU 858 3.546 -5.479 2.855 190 1HD2 LEU 858 1HD2 LEU 858 0.045 -5.198 1.400 191 2HD2 LEU 858 2HD2 LEU 858 0.650 -3.585 1.846 192 3HD2 LEU 858 3HD2 LEU 858 0.594 -4.073 0.135 193 HA PRO 859 HA PRO 859 7.019 -6.858 2.565 194 1HB PRO 859 1HB PRO 859 6.648 -7.102 5.253 195 2HB PRO 859 2HB PRO 859 7.563 -5.731 4.545 196 1HG PRO 859 1HG PRO 859 4.637 -5.775 5.338 197 2HG PRO 859 2HG PRO 859 5.879 -4.576 5.827 198 1HD PRO 859 1HD PRO 859 4.207 -4.115 3.723 199 2HD PRO 859 2HD PRO 859 5.930 -3.639 3.634 200 HA PRO 860 HA PRO 860 4.150 -10.200 2.451 201 1HB PRO 860 1HB PRO 860 5.685 -12.283 3.306 202 2HB PRO 860 2HB PRO 860 6.036 -11.415 1.776 203 1HG PRO 860 1HG PRO 860 7.286 -10.927 4.494 204 2HG PRO 860 2HG PRO 860 8.137 -11.207 2.940 205 1HD PRO 860 1HD PRO 860 7.679 -8.688 3.876 206 2HD PRO 860 2HD PRO 860 7.508 -9.053 2.132 207 H SER 861 H SER 861 5.949 -9.525 5.450 208 HA SER 861 HA SER 861 4.302 -11.159 7.147 209 1HB SER 861 1HB SER 861 6.608 -9.447 7.367 210 2HB SER 861 2HB SER 861 5.421 -8.984 8.610 211 HG SER 861 HG SER 861 6.424 -11.591 8.091 212 H THR 862 H THR 862 3.629 -8.368 5.382 213 HA THR 862 HA THR 862 2.066 -6.887 7.258 214 HB THR 862 HB THR 862 1.544 -7.019 4.280 215 HG1 THR 862 1HG THR 862 3.442 -6.217 3.928 216 1HG2 THR 862 1HG2 THR 862 1.382 -4.472 4.804 217 2HG2 THR 862 2HG2 THR 862 0.063 -5.528 5.363 218 3HG2 THR 862 3HG2 THR 862 1.310 -4.980 6.509 219 HA PRO 863 HA PRO 863 -1.531 -9.396 7.582 220 1HB PRO 863 1HB PRO 863 -3.350 -7.537 8.393 221 2HB PRO 863 2HB PRO 863 -1.954 -8.003 9.418 222 1HG PRO 863 1HG PRO 863 -2.143 -5.633 7.538 223 2HG PRO 863 2HG PRO 863 -1.663 -5.615 9.267 224 1HD PRO 863 1HD PRO 863 0.197 -5.696 7.276 225 2HD PRO 863 2HD PRO 863 0.421 -6.661 8.766 226 H ASP 864 H ASP 864 -3.076 -10.115 6.176 227 HA ASP 864 HA ASP 864 -4.436 -10.197 4.337 228 1HB ASP 864 1HB ASP 864 -4.588 -7.364 5.219 229 2HB ASP 864 2HB ASP 864 -5.077 -7.674 3.539 230 H PHE 865 H PHE 865 -1.349 -9.253 4.365 231 HA PHE 865 HA PHE 865 -0.594 -7.863 2.180 232 1HB PHE 865 1HB PHE 865 0.880 -9.164 3.725 233 2HB PHE 865 2HB PHE 865 0.448 -10.637 2.840 234 HD1 PHE 865 1HD PHE 865 1.913 -11.361 1.207 235 HD2 PHE 865 2HD PHE 865 1.720 -7.168 2.121 236 HE1 PHE 865 1HE PHE 865 3.743 -10.924 -0.410 237 HE2 PHE 865 2HE PHE 865 3.550 -6.732 0.505 238 HZ PHE 865 HZ PHE 865 4.561 -8.610 -0.761 239 H SER 866 H SER 866 -1.657 -11.309 2.062 240 HA SER 866 HA SER 866 -1.418 -11.984 -0.525 241 1HB SER 866 1HB SER 866 -3.356 -12.531 1.584 242 2HB SER 866 2HB SER 866 -4.110 -12.604 -0.027 243 HG SER 866 HG SER 866 -3.236 -14.582 0.308 244 H ARG 867 H ARG 867 -3.552 -9.446 0.722 245 HA ARG 867 HA ARG 867 -4.528 -8.944 -2.040 246 1HB ARG 867 1HB ARG 867 -5.578 -7.496 0.369 247 2HB ARG 867 2HB ARG 867 -6.427 -8.023 -1.103 248 1HG ARG 867 1HG ARG 867 -6.806 -10.139 -0.291 249 2HG ARG 867 2HG ARG 867 -5.274 -10.179 0.615 250 1HD ARG 867 1HD ARG 867 -6.582 -8.194 1.950 251 2HD ARG 867 2HD ARG 867 -7.960 -9.194 1.442 252 HE ARG 867 HE ARG 867 -5.783 -9.969 3.287 253 1HH1 ARG 867 2HH2 ARG 867 -8.689 -10.822 1.462 254 2HH1 ARG 867 1HH2 ARG 867 -9.028 -12.254 2.408 255 1HH2 ARG 867 2HH1 ARG 867 -6.232 -11.861 4.536 256 2HH2 ARG 867 1HH1 ARG 867 -7.627 -12.846 4.161 257 H LEU 868 H LEU 868 -3.631 -7.008 0.877 258 HA LEU 868 HA LEU 868 -3.216 -4.557 -0.061 259 1HB LEU 868 1HB LEU 868 -1.225 -6.194 1.551 260 2HB LEU 868 2HB LEU 868 -1.126 -4.428 1.349 261 HG LEU 868 HG LEU 868 -3.525 -5.930 2.484 262 1HD1 LEU 868 1HD1 LEU 868 -1.340 -5.852 3.865 263 2HD1 LEU 868 2HD1 LEU 868 -1.615 -4.097 3.969 264 3HD1 LEU 868 3HD1 LEU 868 -2.814 -5.228 4.642 265 1HD2 LEU 868 1HD2 LEU 868 -2.862 -3.001 2.029 266 2HD2 LEU 868 2HD2 LEU 868 -4.293 -3.907 1.482 267 3HD2 LEU 868 3HD2 LEU 868 -4.091 -3.520 3.207 268 H ARG 869 H ARG 869 -0.904 -7.247 -0.677 269 HA ARG 869 HA ARG 869 0.852 -5.691 -2.307 270 1HB ARG 869 1HB ARG 869 0.887 -8.199 -1.176 271 2HB ARG 869 2HB ARG 869 0.646 -8.581 -2.897 272 1HG ARG 869 1HG ARG 869 2.554 -6.623 -3.067 273 2HG ARG 869 2HG ARG 869 2.995 -7.388 -1.522 274 1HD ARG 869 1HD ARG 869 2.784 -8.656 -4.268 275 2HD ARG 869 2HD ARG 869 4.182 -8.620 -3.171 276 HE ARG 869 HE ARG 869 2.099 -9.957 -1.824 277 1HH1 ARG 869 2HH2 ARG 869 4.118 -10.342 -4.700 278 2HH1 ARG 869 1HH2 ARG 869 4.074 -12.091 -4.665 279 1HH2 ARG 869 2HH1 ARG 869 2.039 -12.267 -1.778 280 2HH2 ARG 869 1HH1 ARG 869 2.888 -13.188 -2.999 281 H ARG 870 H ARG 870 -0.938 -8.524 -3.559 282 HA ARG 870 HA ARG 870 -0.997 -7.790 -6.207 283 1HB ARG 870 1HB ARG 870 -2.069 -9.817 -4.692 284 2HB ARG 870 2HB ARG 870 -3.534 -8.972 -5.247 285 1HG ARG 870 1HG ARG 870 -3.078 -10.533 -6.974 286 2HG ARG 870 2HG ARG 870 -2.420 -8.998 -7.591 287 1HD ARG 870 1HD ARG 870 -0.796 -10.794 -7.949 288 2HD ARG 870 2HD ARG 870 -0.172 -9.649 -6.741 289 HE ARG 870 HE ARG 870 -0.267 -11.315 -5.130 290 1HH1 ARG 870 2HH2 ARG 870 -2.097 -12.259 -8.004 291 2HH1 ARG 870 1HH2 ARG 870 -2.351 -13.905 -7.469 292 1HH2 ARG 870 2HH1 ARG 870 -0.602 -13.489 -4.424 293 2HH2 ARG 870 1HH1 ARG 870 -1.499 -14.606 -5.428 294 H TYR 871 H TYR 871 -3.032 -6.584 -3.563 295 HA TYR 871 HA TYR 871 -4.925 -5.244 -5.273 296 1HB TYR 871 1HB TYR 871 -5.170 -5.968 -2.818 297 2HB TYR 871 2HB TYR 871 -4.224 -4.524 -2.419 298 HD1 TYR 871 1HD TYR 871 -7.043 -5.061 -1.467 299 HD2 TYR 871 2HD TYR 871 -5.548 -3.015 -4.935 300 HE1 TYR 871 1HE TYR 871 -9.106 -3.686 -1.546 301 HE2 TYR 871 2HE TYR 871 -7.610 -1.641 -5.014 302 HH TYR 871 HH TYR 871 -10.252 -2.041 -2.635 303 H PHE 872 H PHE 872 -2.666 -3.716 -2.923 304 HA PHE 872 HA PHE 872 -2.614 -1.176 -3.808 305 1HB PHE 872 1HB PHE 872 -1.206 -2.164 -1.995 306 2HB PHE 872 2HB PHE 872 -0.106 -2.788 -3.235 307 HD1 PHE 872 1HD PHE 872 0.342 -0.709 -5.103 308 HD2 PHE 872 2HD PHE 872 -0.289 -0.369 -0.867 309 HE1 PHE 872 1HE PHE 872 1.578 1.441 -5.091 310 HE2 PHE 872 2HE PHE 872 0.947 1.781 -0.856 311 HZ PHE 872 HZ PHE 872 1.880 2.686 -2.967 312 H VAL 873 H VAL 873 0.032 -3.291 -5.007 313 HA VAL 873 HA VAL 873 0.787 -1.791 -7.179 314 HB VAL 873 HB VAL 873 2.093 -3.684 -6.664 315 1HG1 VAL 873 1HG1 VAL 873 0.918 -5.283 -5.538 316 2HG1 VAL 873 2HG1 VAL 873 -0.570 -4.979 -6.466 317 3HG1 VAL 873 3HG1 VAL 873 0.711 -6.008 -7.151 318 1HG2 VAL 873 1HG2 VAL 873 1.648 -3.240 -9.157 319 2HG2 VAL 873 2HG2 VAL 873 2.276 -4.854 -8.741 320 3HG2 VAL 873 3HG2 VAL 873 0.546 -4.637 -9.100 321 H ALA 874 H ALA 874 -2.083 -3.832 -6.840 322 HA ALA 874 HA ALA 874 -2.769 -4.003 -9.594 323 1HB ALA 874 1HB ALA 874 -5.177 -4.050 -8.315 324 2HB ALA 874 2HB ALA 874 -4.078 -5.447 -8.416 325 3HB ALA 874 3HB ALA 874 -4.081 -4.421 -6.962 326 H PHE 875 H PHE 875 -4.321 -1.931 -7.075 327 HA PHE 875 HA PHE 875 -5.912 -0.286 -8.336 328 1HB PHE 875 1HB PHE 875 -3.531 0.760 -6.767 329 2HB PHE 875 2HB PHE 875 -5.045 1.632 -7.062 330 HD1 PHE 875 1HD PHE 875 -3.633 -1.427 -5.445 331 HD2 PHE 875 2HD PHE 875 -6.892 1.365 -5.628 332 HE1 PHE 875 1HE PHE 875 -4.610 -2.433 -3.399 333 HE2 PHE 875 2HE PHE 875 -7.870 0.359 -3.583 334 HZ PHE 875 HZ PHE 875 -6.728 -1.540 -2.468 335 H ASP 876 H ASP 876 -2.342 0.083 -8.696 336 HA ASP 876 HA ASP 876 -1.970 0.351 -11.302 337 1HB ASP 876 1HB ASP 876 -3.789 2.515 -10.442 338 2HB ASP 876 2HB ASP 876 -2.401 3.065 -11.405 339 H GLY 877 H GLY 877 -0.965 0.591 -8.338 340 1HA GLY 877 1HA GLY 877 1.087 2.690 -8.729 341 2HA GLY 877 2HA GLY 877 0.717 1.832 -7.215 342 H ASP 878 H ASP 878 2.701 0.971 -6.706 343 HA ASP 878 HA ASP 878 3.586 -1.290 -8.314 344 1HB ASP 878 1HB ASP 878 5.019 1.333 -8.306 345 2HB ASP 878 2HB ASP 878 6.007 -0.137 -8.163 346 H LEU 879 H LEU 879 5.190 -2.581 -7.179 347 HA LEU 879 HA LEU 879 5.603 -1.808 -4.344 348 1HB LEU 879 1HB LEU 879 4.498 -4.471 -5.323 349 2HB LEU 879 2HB LEU 879 4.961 -4.095 -3.646 350 HG LEU 879 HG LEU 879 2.829 -2.643 -5.273 351 1HD1 LEU 879 1HD1 LEU 879 1.229 -3.873 -4.124 352 2HD1 LEU 879 2HD1 LEU 879 2.517 -5.093 -4.264 353 3HD1 LEU 879 3HD1 LEU 879 2.309 -4.189 -2.745 354 1HD2 LEU 879 1HD2 LEU 879 3.616 -2.376 -2.340 355 2HD2 LEU 879 2HD2 LEU 879 4.082 -1.230 -3.619 356 3HD2 LEU 879 3HD2 LEU 879 2.366 -1.442 -3.197 357 H VAL 880 H VAL 880 7.670 -2.096 -3.746 358 HA VAL 880 HA VAL 880 9.356 -3.837 -5.480 359 HB VAL 880 HB VAL 880 10.972 -2.150 -3.876 360 1HG1 VAL 880 1HG1 VAL 880 11.667 -2.759 -6.059 361 2HG1 VAL 880 2HG1 VAL 880 10.127 -2.243 -6.787 362 3HG1 VAL 880 3HG1 VAL 880 11.284 -1.026 -6.198 363 1HG2 VAL 880 1HG2 VAL 880 8.462 -0.829 -4.935 364 2HG2 VAL 880 2HG2 VAL 880 9.259 -0.615 -3.358 365 3HG2 VAL 880 3HG2 VAL 880 9.989 0.079 -4.825 366 H GLN 881 H GLN 881 10.628 -5.411 -4.548 367 HA GLN 881 HA GLN 881 9.817 -6.352 -1.948 368 1HB GLN 881 1HB GLN 881 12.151 -7.206 -3.706 369 2HB GLN 881 2HB GLN 881 11.435 -8.135 -2.366 370 1HG GLN 881 1HG GLN 881 9.411 -8.489 -3.539 371 2HG GLN 881 2HG GLN 881 9.750 -7.184 -4.696 372 1HE2 GLN 881 1HE2 GLN 881 9.898 -10.544 -4.114 373 2HE2 GLN 881 2HE2 GLN 881 10.916 -10.995 -5.465 374 H GLU 882 H GLU 882 10.736 -6.041 0.017 375 HA GLU 882 HA GLU 882 12.159 -3.972 0.851 376 1HB GLU 882 1HB GLU 882 11.476 -5.859 2.298 377 2HB GLU 882 2HB GLU 882 12.825 -6.830 1.662 378 1HG GLU 882 1HG GLU 882 14.044 -4.439 2.409 379 2HG GLU 882 2HG GLU 882 12.832 -4.694 3.684 380 H PHE 883 H PHE 883 13.949 -6.957 -0.124 381 HA PHE 883 HA PHE 883 16.446 -5.540 -0.312 382 1HB PHE 883 1HB PHE 883 17.336 -7.618 -1.044 383 2HB PHE 883 2HB PHE 883 16.104 -8.000 0.170 384 HD1 PHE 883 1HD PHE 883 17.095 -8.299 -3.334 385 HD2 PHE 883 2HD PHE 883 13.913 -8.940 -0.520 386 HE1 PHE 883 1HE PHE 883 15.962 -9.794 -4.956 387 HE2 PHE 883 2HE PHE 883 12.780 -10.435 -2.142 388 HZ PHE 883 HZ PHE 883 13.805 -10.862 -4.360 389 H ASP 884 H ASP 884 14.002 -4.649 -1.960 390 HA ASP 884 HA ASP 884 15.532 -4.061 -4.371 391 1HB ASP 884 1HB ASP 884 13.030 -5.784 -4.443 392 2HB ASP 884 2HB ASP 884 13.693 -4.943 -5.861 393 H MET 885 H MET 885 15.307 -1.883 -3.999 394 HA MET 885 HA MET 885 12.675 -0.754 -4.533 395 1HB MET 885 1HB MET 885 13.477 0.639 -2.209 396 2HB MET 885 2HB MET 885 12.069 -0.434 -2.395 397 1HG MET 885 1HG MET 885 14.588 -1.902 -2.087 398 2HG MET 885 2HG MET 885 14.252 -0.842 -0.708 399 1HE MET 885 1HE MET 885 11.164 -1.533 0.675 400 2HE MET 885 2HE MET 885 12.427 -2.468 1.511 401 3HE MET 885 3HE MET 885 12.819 -0.888 0.791 402 H THR 886 H THR 886 15.772 0.231 -2.950 403 HA THR 886 HA THR 886 16.872 2.283 -3.336 404 HB THR 886 HB THR 886 18.411 1.894 -5.098 405 HG1 THR 886 1HG THR 886 16.522 0.135 -6.270 406 1HG2 THR 886 1HG2 THR 886 18.415 0.137 -3.345 407 2HG2 THR 886 2HG2 THR 886 17.249 -0.810 -4.300 408 3HG2 THR 886 3HG2 THR 886 18.890 -0.524 -4.928 409 H SER 887 H SER 887 14.899 1.374 -6.213 410 HA SER 887 HA SER 887 14.601 4.255 -6.834 411 1HB SER 887 1HB SER 887 14.615 1.734 -8.347 412 2HB SER 887 2HB SER 887 13.259 2.803 -8.782 413 HG SER 887 HG SER 887 15.641 4.112 -8.441 414 H ALA 888 H ALA 888 13.036 1.707 -5.188 415 HA ALA 888 HA ALA 888 10.362 1.881 -5.727 416 1HB ALA 888 1HB ALA 888 11.536 1.989 -2.924 417 2HB ALA 888 2HB ALA 888 9.972 1.295 -3.415 418 3HB ALA 888 3HB ALA 888 11.489 0.519 -3.927 419 H THR 889 H THR 889 8.635 3.056 -4.353 420 HA THR 889 HA THR 889 9.425 5.923 -4.125 421 HB THR 889 HB THR 889 7.740 4.909 -6.001 422 HG1 THR 889 1HG THR 889 7.493 6.968 -6.342 423 1HG2 THR 889 1HG2 THR 889 5.842 5.934 -3.884 424 2HG2 THR 889 2HG2 THR 889 5.491 4.962 -5.333 425 3HG2 THR 889 3HG2 THR 889 6.281 4.209 -3.927 426 H HIS 890 H HIS 890 7.312 3.281 -2.942 427 HA HIS 890 HA HIS 890 7.108 4.778 -0.372 428 1HB HIS 890 1HB HIS 890 5.020 3.261 -1.943 429 2HB HIS 890 2HB HIS 890 4.869 3.493 -0.192 430 HD1 HIS 890 1HD HIS 890 6.147 6.219 -2.611 431 HD2 HIS 890 2HD HIS 890 2.862 5.209 -0.182 432 HE1 HIS 890 1HE HIS 890 4.618 8.268 -2.553 433 H VAL 891 H VAL 891 6.778 3.363 1.525 434 HA VAL 891 HA VAL 891 7.512 0.540 1.162 435 HB VAL 891 HB VAL 891 9.337 0.919 2.975 436 1HG1 VAL 891 1HG1 VAL 891 10.459 2.168 0.595 437 2HG1 VAL 891 2HG1 VAL 891 10.718 0.527 1.233 438 3HG1 VAL 891 3HG1 VAL 891 9.344 0.854 0.150 439 1HG2 VAL 891 1HG2 VAL 891 8.839 3.227 3.530 440 2HG2 VAL 891 2HG2 VAL 891 10.423 3.189 2.718 441 3HG2 VAL 891 3HG2 VAL 891 8.976 3.716 1.824 442 H LEU 892 H LEU 892 6.240 -0.613 2.481 443 HA LEU 892 HA LEU 892 4.682 0.726 4.532 444 1HB LEU 892 1HB LEU 892 4.441 -1.581 2.947 445 2HB LEU 892 2HB LEU 892 4.631 -2.187 4.609 446 HG LEU 892 HG LEU 892 2.864 0.148 4.490 447 1HD1 LEU 892 1HD1 LEU 892 2.484 -2.088 2.554 448 2HD1 LEU 892 2HD1 LEU 892 1.049 -1.621 3.497 449 3HD1 LEU 892 3HD1 LEU 892 1.886 -0.412 2.494 450 1HD2 LEU 892 1HD2 LEU 892 1.554 -2.260 5.312 451 2HD2 LEU 892 2HD2 LEU 892 3.228 -2.330 5.911 452 3HD2 LEU 892 3HD2 LEU 892 2.188 -0.950 6.337 453 H GLY 893 H GLY 893 5.369 1.119 6.548 454 1HA GLY 893 1HA GLY 893 6.576 0.963 8.495 455 2HA GLY 893 2HA GLY 893 6.485 -0.798 8.265 456 H SER 894 H SER 894 8.540 1.919 8.379 457 HA SER 894 HA SER 894 10.861 1.908 8.389 458 1HB SER 894 1HB SER 894 10.646 -0.807 7.031 459 2HB SER 894 2HB SER 894 12.120 -0.072 7.706 460 HG SER 894 HG SER 894 11.528 -0.947 9.504 461 H ARG 895 H ARG 895 12.667 1.947 6.647 462 HA ARG 895 HA ARG 895 11.575 2.326 3.929 463 1HB ARG 895 1HB ARG 895 12.781 4.554 3.825 464 2HB ARG 895 2HB ARG 895 11.329 4.533 4.853 465 1HG ARG 895 1HG ARG 895 12.631 4.405 6.857 466 2HG ARG 895 2HG ARG 895 14.117 4.026 5.953 467 1HD ARG 895 1HD ARG 895 13.222 6.430 4.828 468 2HD ARG 895 2HD ARG 895 12.913 6.626 6.567 469 HE ARG 895 HE ARG 895 15.528 5.543 6.172 470 1HH1 ARG 895 2HH2 ARG 895 13.648 8.511 5.774 471 2HH1 ARG 895 1HH2 ARG 895 15.026 9.572 5.963 472 1HH2 ARG 895 2HH1 ARG 895 17.348 6.945 6.422 473 2HH2 ARG 895 1HH1 ARG 895 17.136 8.679 6.333 474 H ASP 896 H ASP 896 14.279 2.012 6.200 475 HA ASP 896 HA ASP 896 16.599 2.111 5.126 476 1HB ASP 896 1HB ASP 896 16.456 0.599 6.915 477 2HB ASP 896 2HB ASP 896 15.278 -0.433 6.075 478 H LYS 897 H LYS 897 14.992 -0.898 4.018 479 HA LYS 897 HA LYS 897 16.364 -1.503 1.814 480 1HB LYS 897 1HB LYS 897 13.676 -1.582 0.901 481 2HB LYS 897 2HB LYS 897 14.616 -2.898 1.643 482 1HG LYS 897 1HG LYS 897 12.716 -2.680 3.047 483 2HG LYS 897 2HG LYS 897 13.998 -1.796 3.909 484 1HD LYS 897 1HD LYS 897 13.133 0.287 2.600 485 2HD LYS 897 2HD LYS 897 11.675 -0.692 2.310 486 1HE LYS 897 1HE LYS 897 12.044 -1.114 4.983 487 2HE LYS 897 2HE LYS 897 12.683 0.536 4.824 488 1HZ LYS 897 1HZ LYS 897 10.238 0.245 5.254 489 2HZ LYS 897 2HZ LYS 897 10.674 1.288 4.052 490 3HZ LYS 897 3HZ LYS 897 10.107 -0.214 3.675 491 H ASN 898 H ASN 898 14.158 1.281 2.081 492 HA ASN 898 HA ASN 898 15.494 2.531 -0.195 493 1HB ASN 898 1HB ASN 898 13.776 1.145 -1.300 494 2HB ASN 898 2HB ASN 898 12.522 1.887 -0.283 495 1HD2 ASN 898 1HD2 ASN 898 13.194 1.887 -3.314 496 2HD2 ASN 898 2HD2 ASN 898 13.122 3.582 -3.747 497 HA PRO 899 HA PRO 899 14.368 5.522 3.029 498 1HB PRO 899 1HB PRO 899 16.504 7.168 2.640 499 2HB PRO 899 2HB PRO 899 16.666 5.591 3.480 500 1HG PRO 899 1HG PRO 899 17.192 6.177 0.552 501 2HG PRO 899 2HG PRO 899 18.292 5.365 1.714 502 1HD PRO 899 1HD PRO 899 16.680 3.934 0.045 503 2HD PRO 899 2HD PRO 899 16.929 3.408 1.738 504 H ALA 900 H ALA 900 14.676 5.561 -0.400 505 HA ALA 900 HA ALA 900 13.825 8.370 -0.650 506 1HB ALA 900 1HB ALA 900 13.738 7.133 -3.163 507 2HB ALA 900 2HB ALA 900 15.067 8.122 -2.512 508 3HB ALA 900 3HB ALA 900 15.104 6.352 -2.330 509 H ALA 901 H ALA 901 12.342 5.557 0.185 510 HA ALA 901 HA ALA 901 9.953 5.955 -1.510 511 1HB ALA 901 1HB ALA 901 9.193 3.850 -0.515 512 2HB ALA 901 2HB ALA 901 10.849 3.664 -1.142 513 3HB ALA 901 3HB ALA 901 10.576 3.857 0.606 514 H GLN 902 H GLN 902 8.160 4.889 0.560 515 HA GLN 902 HA GLN 902 8.088 7.226 2.408 516 1HB GLN 902 1HB GLN 902 6.017 6.120 0.544 517 2HB GLN 902 2HB GLN 902 5.477 6.728 2.128 518 1HG GLN 902 1HG GLN 902 7.093 8.244 0.039 519 2HG GLN 902 2HG GLN 902 5.407 8.550 0.509 520 1HE2 GLN 902 1HE2 GLN 902 6.000 7.969 3.391 521 2HE2 GLN 902 2HE2 GLN 902 6.826 9.391 3.990 522 H GLN 903 H GLN 903 7.840 6.721 4.519 523 HA GLN 903 HA GLN 903 7.649 3.879 5.218 524 1HB GLN 903 1HB GLN 903 8.267 6.447 6.690 525 2HB GLN 903 2HB GLN 903 7.912 4.946 7.579 526 1HG GLN 903 1HG GLN 903 9.981 4.165 7.167 527 2HG GLN 903 2HG GLN 903 9.744 4.376 5.418 528 1HE2 GLN 903 1HE2 GLN 903 10.288 6.435 4.436 529 2HE2 GLN 903 2HE2 GLN 903 11.456 7.493 5.200 530 H VAL 904 H VAL 904 5.337 4.127 4.139 531 HA VAL 904 HA VAL 904 3.332 5.314 5.890 532 HB VAL 904 HB VAL 904 2.003 5.112 4.075 533 1HG1 VAL 904 1HG1 VAL 904 3.158 5.173 2.050 534 2HG1 VAL 904 2HG1 VAL 904 4.479 5.483 3.203 535 3HG1 VAL 904 3HG1 VAL 904 4.258 3.855 2.519 536 1HG2 VAL 904 1HG2 VAL 904 3.022 2.250 3.995 537 2HG2 VAL 904 2HG2 VAL 904 1.411 2.830 4.482 538 3HG2 VAL 904 3HG2 VAL 904 1.903 2.900 2.773 539 H SER 905 H SER 905 1.365 3.820 6.433 540 HA SER 905 HA SER 905 2.425 1.254 7.520 541 1HB SER 905 1HB SER 905 0.210 2.561 8.987 542 2HB SER 905 2HB SER 905 1.676 1.761 9.602 543 HG SER 905 HG SER 905 2.029 3.851 10.021 544 HA PRO 906 HA PRO 906 -1.237 -0.764 6.119 545 1HB PRO 906 1HB PRO 906 -2.554 -1.820 8.258 546 2HB PRO 906 2HB PRO 906 -0.896 -2.342 7.817 547 1HG PRO 906 1HG PRO 906 -1.681 -0.256 9.872 548 2HG PRO 906 2HG PRO 906 -0.593 -1.662 10.110 549 1HD PRO 906 1HD PRO 906 0.390 0.813 9.530 550 2HD PRO 906 2HD PRO 906 1.116 -0.647 8.792 551 H GLU 907 H GLU 907 -1.780 1.657 8.651 552 HA GLU 907 HA GLU 907 -4.617 1.912 8.173 553 1HB GLU 907 1HB GLU 907 -2.522 3.557 9.617 554 2HB GLU 907 2HB GLU 907 -4.206 4.111 9.457 555 1HG GLU 907 1HG GLU 907 -4.345 2.943 11.456 556 2HG GLU 907 2HG GLU 907 -4.749 1.653 10.303 557 H TRP 908 H TRP 908 -1.687 3.169 6.710 558 HA TRP 908 HA TRP 908 -2.782 5.508 5.514 559 1HB TRP 908 1HB TRP 908 -0.382 5.052 5.709 560 2HB TRP 908 2HB TRP 908 -0.542 3.669 4.618 561 HD1 TRP 908 HD TRP 908 -0.855 7.506 4.592 562 HE1 TRP 908 1HE TRP 908 -0.336 8.387 2.260 563 HE3 TRP 908 3HE TRP 908 -0.338 3.043 2.139 564 HZ2 TRP 908 2HZ TRP 908 0.235 7.297 -0.360 565 HZ3 TRP 908 3HZ TRP 908 0.193 3.005 -0.270 566 HH2 TRP 908 HH TRP 908 0.482 5.118 -1.532 567 H ILE 909 H ILE 909 -2.288 2.181 4.208 568 HA ILE 909 HA ILE 909 -3.342 2.515 1.677 569 HB ILE 909 HB ILE 909 -3.263 0.256 3.651 570 1HG1 ILE 909 1HG1 ILE 909 -2.394 -0.350 0.980 571 2HG1 ILE 909 2HG1 ILE 909 -1.747 1.247 1.427 572 1HG2 ILE 909 1HG2 ILE 909 -5.349 -0.324 2.771 573 2HG2 ILE 909 2HG2 ILE 909 -5.016 0.449 1.203 574 3HG2 ILE 909 3HG2 ILE 909 -4.250 -1.106 1.609 575 1HD1 ILE 909 1HD1 ILE 909 -0.327 -0.800 2.084 576 2HD1 ILE 909 2HD1 ILE 909 -0.670 0.380 3.372 577 3HD1 ILE 909 3HD1 ILE 909 -1.586 -1.144 3.294 578 H TRP 910 H TRP 910 -5.203 1.563 4.627 579 HA TRP 910 HA TRP 910 -7.743 1.523 3.514 580 1HB TRP 910 1HB TRP 910 -6.979 2.632 6.231 581 2HB TRP 910 2HB TRP 910 -8.559 1.992 5.759 582 HD1 TRP 910 HD TRP 910 -6.042 1.005 7.911 583 HE1 TRP 910 1HE TRP 910 -5.672 -1.509 8.077 584 HE3 TRP 910 3HE TRP 910 -8.403 -0.445 3.608 585 HZ2 TRP 910 2HZ TRP 910 -6.318 -3.872 6.536 586 HZ3 TRP 910 3HZ TRP 910 -8.505 -2.832 2.991 587 HH2 TRP 910 HH TRP 910 -7.470 -4.554 4.440 588 H ALA 911 H ALA 911 -6.537 4.332 5.425 589 HA ALA 911 HA ALA 911 -8.444 6.169 4.650 590 1HB ALA 911 1HB ALA 911 -5.568 7.036 4.834 591 2HB ALA 911 2HB ALA 911 -7.026 7.783 5.532 592 3HB ALA 911 3HB ALA 911 -6.348 6.306 6.259 593 H CYS 912 H CYS 912 -5.430 5.270 2.931 594 HA CYS 912 HA CYS 912 -5.811 7.180 0.810 595 1HB CYS 912 1HB CYS 912 -4.181 4.611 0.793 596 2HB CYS 912 2HB CYS 912 -3.947 6.049 -0.232 597 HG CYS 912 HG CYS 912 -4.212 6.827 2.825 598 H ILE 913 H ILE 913 -6.835 3.850 1.450 599 HA ILE 913 HA ILE 913 -7.539 3.072 -1.164 600 HB ILE 913 HB ILE 913 -8.882 2.395 1.482 601 1HG1 ILE 913 1HG1 ILE 913 -6.468 1.320 -0.004 602 2HG1 ILE 913 2HG1 ILE 913 -6.597 1.806 1.703 603 1HG2 ILE 913 1HG2 ILE 913 -9.627 1.779 -1.173 604 2HG2 ILE 913 2HG2 ILE 913 -8.814 0.320 -0.559 605 3HG2 ILE 913 3HG2 ILE 913 -10.211 0.994 0.314 606 1HD1 ILE 913 1HD1 ILE 913 -8.566 -0.203 1.293 607 2HD1 ILE 913 2HD1 ILE 913 -7.080 -0.789 0.506 608 3HD1 ILE 913 3HD1 ILE 913 -7.057 -0.338 2.228 609 H ARG 914 H ARG 914 -9.678 4.455 1.401 610 HA ARG 914 HA ARG 914 -11.868 4.865 -0.393 611 1HB ARG 914 1HB ARG 914 -11.502 4.897 2.331 612 2HB ARG 914 2HB ARG 914 -11.677 6.632 1.972 613 1HG ARG 914 1HG ARG 914 -13.580 4.636 0.736 614 2HG ARG 914 2HG ARG 914 -13.829 5.182 2.412 615 1HD ARG 914 1HD ARG 914 -13.229 7.346 0.478 616 2HD ARG 914 2HD ARG 914 -14.763 6.498 0.185 617 HE ARG 914 HE ARG 914 -14.760 7.016 2.908 618 1HH1 ARG 914 2HH2 ARG 914 -14.442 8.915 -0.057 619 2HH1 ARG 914 1HH2 ARG 914 -15.169 10.354 0.624 620 1HH2 ARG 914 2HH1 ARG 914 -15.720 8.916 3.807 621 2HH2 ARG 914 1HH1 ARG 914 -15.897 10.354 2.827 622 H LYS 915 H LYS 915 -9.204 6.944 0.797 623 HA LYS 915 HA LYS 915 -10.110 9.384 -0.286 624 1HB LYS 915 1HB LYS 915 -7.357 8.252 0.291 625 2HB LYS 915 2HB LYS 915 -7.595 9.907 -0.320 626 1HG LYS 915 1HG LYS 915 -9.084 8.861 2.111 627 2HG LYS 915 2HG LYS 915 -7.477 9.614 2.243 628 1HD LYS 915 1HD LYS 915 -8.269 11.690 1.362 629 2HD LYS 915 2HD LYS 915 -9.790 10.956 0.799 630 1HE LYS 915 1HE LYS 915 -10.622 11.796 2.749 631 2HE LYS 915 2HE LYS 915 -9.891 10.337 3.455 632 1HZ LYS 915 1HZ LYS 915 -8.744 11.719 4.681 633 2HZ LYS 915 2HZ LYS 915 -7.883 12.138 3.338 634 3HZ LYS 915 3HZ LYS 915 -9.182 13.043 3.801 635 H ARG 916 H ARG 916 -9.632 6.563 -1.934 636 HA ARG 916 HA ARG 916 -9.154 6.016 -4.114 637 1HB ARG 916 1HB ARG 916 -10.728 8.538 -4.114 638 2HB ARG 916 2HB ARG 916 -9.921 8.132 -5.648 639 1HG ARG 916 1HG ARG 916 -12.108 7.093 -5.675 640 2HG ARG 916 2HG ARG 916 -10.902 5.804 -5.444 641 1HD ARG 916 1HD ARG 916 -12.724 5.447 -3.876 642 2HD ARG 916 2HD ARG 916 -11.286 5.963 -2.969 643 HE ARG 916 HE ARG 916 -12.342 7.979 -2.437 644 1HH1 ARG 916 2HH2 ARG 916 -14.204 6.120 -4.798 645 2HH1 ARG 916 1HH2 ARG 916 -15.639 7.110 -4.650 646 1HH2 ARG 916 2HH1 ARG 916 -14.237 9.287 -2.242 647 2HH2 ARG 916 1HH1 ARG 916 -15.657 8.916 -3.192 648 H ARG 917 H ARG 917 -7.203 7.875 -2.455 649 HA ARG 917 HA ARG 917 -5.262 8.085 -4.634 650 1HB ARG 917 1HB ARG 917 -4.811 10.456 -4.287 651 2HB ARG 917 2HB ARG 917 -6.521 10.240 -4.734 652 1HG ARG 917 1HG ARG 917 -6.631 11.714 -2.897 653 2HG ARG 917 2HG ARG 917 -6.938 10.125 -2.158 654 1HD ARG 917 1HD ARG 917 -4.834 10.022 -1.175 655 2HD ARG 917 2HD ARG 917 -4.100 11.096 -2.385 656 HE ARG 917 HE ARG 917 -5.335 11.869 0.111 657 1HH1 ARG 917 2HH2 ARG 917 -4.751 12.854 -3.234 658 2HH1 ARG 917 1HH2 ARG 917 -4.840 14.566 -2.890 659 1HH2 ARG 917 2HH1 ARG 917 -5.453 14.132 0.565 660 2HH2 ARG 917 1HH1 ARG 917 -5.241 15.295 -0.724 661 H LEU 918 H LEU 918 -3.290 9.514 -3.386 662 HA LEU 918 HA LEU 918 -2.673 7.739 -1.104 663 1HB LEU 918 1HB LEU 918 -1.021 9.559 -2.886 664 2HB LEU 918 2HB LEU 918 -0.361 8.771 -1.433 665 HG LEU 918 HG LEU 918 0.143 7.149 -3.007 666 1HD1 LEU 918 1HD1 LEU 918 -2.742 6.312 -2.741 667 2HD1 LEU 918 2HD1 LEU 918 -1.263 5.331 -2.603 668 3HD1 LEU 918 3HD1 LEU 918 -1.731 6.426 -1.280 669 1HD2 LEU 918 1HD2 LEU 918 -1.001 6.815 -5.071 670 2HD2 LEU 918 2HD2 LEU 918 -2.476 7.612 -4.473 671 3HD2 LEU 918 3HD2 LEU 918 -1.019 8.576 -4.814 672 H VAL 919 H VAL 919 -2.761 8.430 0.951 673 HA VAL 919 HA VAL 919 -3.161 11.336 1.401 674 HB VAL 919 HB VAL 919 -4.486 10.764 3.177 675 1HG1 VAL 919 1HG1 VAL 919 -4.423 8.486 1.228 676 2HG1 VAL 919 2HG1 VAL 919 -5.332 8.248 2.740 677 3HG1 VAL 919 3HG1 VAL 919 -5.756 9.588 1.648 678 1HG2 VAL 919 1HG2 VAL 919 -2.285 8.867 3.660 679 2HG2 VAL 919 2HG2 VAL 919 -3.301 9.750 4.824 680 3HG2 VAL 919 3HG2 VAL 919 -3.878 8.220 4.121 681 H ALA 920 H ALA 920 -2.444 11.339 4.147 682 HA ALA 920 HA ALA 920 0.396 11.723 3.898 683 1HB ALA 920 1HB ALA 920 -1.671 12.538 5.626 684 2HB ALA 920 2HB ALA 920 -0.573 11.569 6.638 685 3HB ALA 920 3HB ALA 920 0.053 12.970 5.736 686 HA PRO 921 HA PRO 921 1.309 7.415 4.721 687 1HB PRO 921 1HB PRO 921 3.969 7.556 4.147 688 2HB PRO 921 2HB PRO 921 2.719 7.652 2.864 689 1HG PRO 921 1HG PRO 921 4.110 9.961 4.253 690 2HG PRO 921 2HG PRO 921 3.954 9.688 2.487 691 1HD PRO 921 1HD PRO 921 2.224 11.307 3.833 692 2HD PRO 921 2HD PRO 921 1.630 10.217 2.544 693 H CYS 922 H CYS 922 1.772 6.513 6.663 694 HA CYS 922 HA CYS 922 3.731 7.797 8.443 695 1HB CYS 922 1HB CYS 922 1.287 8.716 8.795 696 2HB CYS 922 2HB CYS 922 1.015 7.140 9.580 697 HG CYS 922 HG CYS 922 1.521 8.552 11.554 Start of MODEL 19 1 H GLY 835 H GLY 835 -9.052 -4.163 9.857 2 1HA GLY 835 1HA GLY 835 -11.471 -4.721 11.462 3 2HA GLY 835 2HA GLY 835 -10.433 -3.367 11.963 4 H SER 836 H SER 836 -9.592 -2.523 9.353 5 HA SER 836 HA SER 836 -12.065 -1.146 8.533 6 1HB SER 836 1HB SER 836 -9.547 -0.233 8.935 7 2HB SER 836 2HB SER 836 -9.459 -0.599 7.195 8 HG SER 836 HG SER 836 -11.047 1.245 8.568 9 H ALA 837 H ALA 837 -9.510 -3.285 7.216 10 HA ALA 837 HA ALA 837 -10.192 -3.331 4.538 11 1HB ALA 837 1HB ALA 837 -8.424 -4.670 6.025 12 2HB ALA 837 2HB ALA 837 -9.659 -5.946 5.907 13 3HB ALA 837 3HB ALA 837 -8.938 -5.266 4.428 14 H ASP 838 H ASP 838 -11.501 -5.579 7.049 15 HA ASP 838 HA ASP 838 -13.405 -6.841 5.455 16 1HB ASP 838 1HB ASP 838 -12.867 -6.456 8.302 17 2HB ASP 838 2HB ASP 838 -14.608 -6.568 7.964 18 H GLU 839 H GLU 839 -13.296 -3.552 6.554 19 HA GLU 839 HA GLU 839 -16.178 -3.201 5.910 20 1HB GLU 839 1HB GLU 839 -14.198 -1.784 7.658 21 2HB GLU 839 2HB GLU 839 -15.489 -0.819 6.905 22 1HG GLU 839 1HG GLU 839 -16.683 -3.226 7.870 23 2HG GLU 839 2HG GLU 839 -15.650 -2.596 9.171 24 H THR 840 H THR 840 -13.056 -2.922 4.598 25 HA THR 840 HA THR 840 -14.036 -0.894 2.642 26 HB THR 840 HB THR 840 -11.190 -1.463 3.559 27 HG1 THR 840 1HG THR 840 -12.263 -0.297 5.095 28 1HG2 THR 840 1HG2 THR 840 -12.220 0.770 1.771 29 2HG2 THR 840 2HG2 THR 840 -10.530 0.313 2.090 30 3HG2 THR 840 3HG2 THR 840 -11.574 -0.758 1.126 31 H LEU 841 H LEU 841 -11.494 -3.447 2.918 32 HA LEU 841 HA LEU 841 -11.625 -4.055 0.111 33 1HB LEU 841 1HB LEU 841 -9.646 -4.385 1.670 34 2HB LEU 841 2HB LEU 841 -10.513 -5.786 2.347 35 HG LEU 841 HG LEU 841 -8.810 -5.987 0.249 36 1HD1 LEU 841 1HD1 LEU 841 -10.703 -7.589 1.535 37 2HD1 LEU 841 2HD1 LEU 841 -11.158 -7.699 -0.182 38 3HD1 LEU 841 3HD1 LEU 841 -9.512 -8.139 0.332 39 1HD2 LEU 841 1HD2 LEU 841 -9.744 -5.580 -1.800 40 2HD2 LEU 841 2HD2 LEU 841 -11.369 -6.073 -1.269 41 3HD2 LEU 841 3HD2 LEU 841 -10.762 -4.446 -0.880 42 H CYS 842 H CYS 842 -13.828 -4.591 2.541 43 HA CYS 842 HA CYS 842 -14.583 -7.298 2.200 44 1HB CYS 842 1HB CYS 842 -15.588 -6.293 4.033 45 2HB CYS 842 2HB CYS 842 -15.910 -4.775 3.159 46 HG CYS 842 HG CYS 842 -18.087 -6.270 3.904 47 H GLN 843 H GLN 843 -14.652 -4.675 0.009 48 HA GLN 843 HA GLN 843 -16.910 -5.810 -1.530 49 1HB GLN 843 1HB GLN 843 -15.270 -3.393 -2.303 50 2HB GLN 843 2HB GLN 843 -16.971 -3.763 -2.674 51 1HG GLN 843 1HG GLN 843 -16.651 -3.741 0.181 52 2HG GLN 843 2HG GLN 843 -15.914 -2.262 -0.472 53 1HE2 GLN 843 1HE2 GLN 843 -18.053 -1.824 1.073 54 2HE2 GLN 843 2HE2 GLN 843 -19.474 -1.440 0.126 55 H THR 844 H THR 844 -15.292 -7.768 -1.680 56 HA THR 844 HA THR 844 -14.041 -9.072 -3.085 57 HB THR 844 HB THR 844 -15.506 -7.321 -4.750 58 HG1 THR 844 1HG THR 844 -15.494 -9.083 -5.974 59 1HG2 THR 844 1HG2 THR 844 -13.685 -6.032 -5.474 60 2HG2 THR 844 2HG2 THR 844 -12.545 -7.394 -5.351 61 3HG2 THR 844 3HG2 THR 844 -13.721 -7.336 -6.686 62 H LYS 845 H LYS 845 -13.099 -5.769 -4.184 63 HA LYS 845 HA LYS 845 -10.502 -6.041 -2.857 64 1HB LYS 845 1HB LYS 845 -10.925 -6.445 -5.783 65 2HB LYS 845 2HB LYS 845 -9.555 -5.413 -5.308 66 1HG LYS 845 1HG LYS 845 -10.100 -8.208 -4.219 67 2HG LYS 845 2HG LYS 845 -8.913 -7.820 -5.487 68 1HD LYS 845 1HD LYS 845 -7.439 -7.519 -3.790 69 2HD LYS 845 2HD LYS 845 -8.305 -5.996 -3.474 70 1HE LYS 845 1HE LYS 845 -8.410 -7.034 -1.387 71 2HE LYS 845 2HE LYS 845 -9.949 -7.540 -2.117 72 1HZ LYS 845 1HZ LYS 845 -7.490 -9.090 -1.816 73 2HZ LYS 845 2HZ LYS 845 -9.003 -9.441 -1.262 74 3HZ LYS 845 3HZ LYS 845 -8.673 -9.536 -2.875 75 H VAL 846 H VAL 846 -13.146 -4.300 -3.953 76 HA VAL 846 HA VAL 846 -13.614 -2.063 -4.162 77 HB VAL 846 HB VAL 846 -11.746 -0.787 -2.540 78 1HG1 VAL 846 1HG1 VAL 846 -14.027 -2.233 -1.245 79 2HG1 VAL 846 2HG1 VAL 846 -13.573 -0.514 -1.162 80 3HG1 VAL 846 3HG1 VAL 846 -14.420 -1.142 -2.596 81 1HG2 VAL 846 1HG2 VAL 846 -11.527 -2.375 -0.604 82 2HG2 VAL 846 2HG2 VAL 846 -12.156 -3.672 -1.647 83 3HG2 VAL 846 3HG2 VAL 846 -10.608 -2.887 -2.039 84 H LEU 847 H LEU 847 -10.183 -1.424 -3.487 85 HA LEU 847 HA LEU 847 -8.522 -0.524 -4.781 86 1HB LEU 847 1HB LEU 847 -10.090 -1.258 -7.262 87 2HB LEU 847 2HB LEU 847 -8.326 -1.180 -7.035 88 HG LEU 847 HG LEU 847 -8.848 -3.505 -7.011 89 1HD1 LEU 847 1HD1 LEU 847 -7.338 -3.038 -5.221 90 2HD1 LEU 847 2HD1 LEU 847 -8.632 -2.356 -4.207 91 3HD1 LEU 847 3HD1 LEU 847 -8.579 -4.107 -4.523 92 1HD2 LEU 847 1HD2 LEU 847 -10.873 -3.310 -4.820 93 2HD2 LEU 847 2HD2 LEU 847 -11.387 -2.761 -6.433 94 3HD2 LEU 847 3HD2 LEU 847 -10.796 -4.424 -6.206 95 H LEU 848 H LEU 848 -8.357 1.632 -4.713 96 HA LEU 848 HA LEU 848 -10.207 3.224 -6.390 97 1HB LEU 848 1HB LEU 848 -10.007 3.228 -3.429 98 2HB LEU 848 2HB LEU 848 -9.958 4.833 -4.197 99 HG LEU 848 HG LEU 848 -12.028 2.779 -5.017 100 1HD1 LEU 848 1HD1 LEU 848 -11.780 4.139 -2.441 101 2HD1 LEU 848 2HD1 LEU 848 -13.270 4.616 -3.290 102 3HD1 LEU 848 3HD1 LEU 848 -12.947 2.898 -2.956 103 1HD2 LEU 848 1HD2 LEU 848 -11.578 5.751 -5.265 104 2HD2 LEU 848 2HD2 LEU 848 -12.068 4.574 -6.508 105 3HD2 LEU 848 3HD2 LEU 848 -13.241 5.118 -5.285 106 H ASP 849 H ASP 849 -9.379 5.672 -6.177 107 HA ASP 849 HA ASP 849 -6.653 5.598 -7.155 108 1HB ASP 849 1HB ASP 849 -7.000 8.045 -7.415 109 2HB ASP 849 2HB ASP 849 -8.305 7.089 -8.149 110 H ILE 850 H ILE 850 -6.707 4.600 -4.533 111 HA ILE 850 HA ILE 850 -6.056 6.674 -2.630 112 HB ILE 850 HB ILE 850 -4.996 4.014 -2.036 113 1HG1 ILE 850 1HG1 ILE 850 -6.875 3.598 -3.794 114 2HG1 ILE 850 2HG1 ILE 850 -6.955 2.711 -2.253 115 1HG2 ILE 850 1HG2 ILE 850 -5.930 4.487 0.003 116 2HG2 ILE 850 2HG2 ILE 850 -5.989 6.139 -0.655 117 3HG2 ILE 850 3HG2 ILE 850 -7.437 5.105 -0.716 118 1HD1 ILE 850 1HD1 ILE 850 -8.336 4.860 -1.486 119 2HD1 ILE 850 2HD1 ILE 850 -8.639 5.002 -3.235 120 3HD1 ILE 850 3HD1 ILE 850 -9.125 3.528 -2.363 121 H PHE 851 H PHE 851 -3.855 3.949 -3.085 122 HA PHE 851 HA PHE 851 -1.542 5.568 -2.831 123 1HB PHE 851 1HB PHE 851 -1.555 2.908 -4.244 124 2HB PHE 851 2HB PHE 851 -0.342 3.586 -3.145 125 HD1 PHE 851 1HD PHE 851 -1.542 4.241 -0.721 126 HD2 PHE 851 2HD PHE 851 -2.658 1.070 -3.395 127 HE1 PHE 851 1HE PHE 851 -2.564 3.005 1.171 128 HE2 PHE 851 2HE PHE 851 -3.680 -0.166 -1.503 129 HZ PHE 851 HZ PHE 851 -3.632 0.802 0.780 130 H THR 852 H THR 852 -3.459 6.445 -4.960 131 HA THR 852 HA THR 852 -2.867 5.997 -7.546 132 HB THR 852 HB THR 852 -4.071 8.030 -6.187 133 HG1 THR 852 1HG THR 852 -4.676 8.627 -8.176 134 1HG2 THR 852 1HG2 THR 852 -1.951 9.201 -5.772 135 2HG2 THR 852 2HG2 THR 852 -1.570 9.166 -7.510 136 3HG2 THR 852 3HG2 THR 852 -2.943 10.133 -6.919 137 H GLY 853 H GLY 853 -0.915 5.323 -8.296 138 1HA GLY 853 1HA GLY 853 1.283 5.441 -8.944 139 2HA GLY 853 2HA GLY 853 1.149 7.206 -8.769 140 H VAL 854 H VAL 854 0.495 5.011 -6.081 141 HA VAL 854 HA VAL 854 2.842 6.155 -4.678 142 HB VAL 854 HB VAL 854 0.234 4.889 -3.813 143 1HG1 VAL 854 1HG1 VAL 854 2.293 3.927 -2.581 144 2HG1 VAL 854 2HG1 VAL 854 2.517 5.568 -1.929 145 3HG1 VAL 854 3HG1 VAL 854 1.023 4.667 -1.578 146 1HG2 VAL 854 1HG2 VAL 854 -0.151 7.146 -3.824 147 2HG2 VAL 854 2HG2 VAL 854 0.700 7.087 -2.262 148 3HG2 VAL 854 3HG2 VAL 854 1.581 7.545 -3.738 149 H ARG 855 H ARG 855 4.616 4.941 -5.153 150 HA ARG 855 HA ARG 855 4.364 2.010 -5.271 151 1HB ARG 855 1HB ARG 855 6.440 2.038 -6.324 152 2HB ARG 855 2HB ARG 855 5.776 3.614 -6.820 153 1HG ARG 855 1HG ARG 855 6.929 4.599 -4.758 154 2HG ARG 855 2HG ARG 855 7.779 3.042 -4.604 155 1HD ARG 855 1HD ARG 855 9.027 4.840 -5.905 156 2HD ARG 855 2HD ARG 855 8.813 3.294 -6.754 157 HE ARG 855 HE ARG 855 6.618 4.845 -7.484 158 1HH1 ARG 855 2HH2 ARG 855 10.141 5.088 -7.659 159 2HH1 ARG 855 1HH2 ARG 855 10.139 6.049 -9.120 160 1HH2 ARG 855 2HH1 ARG 855 6.616 6.115 -9.415 161 2HH2 ARG 855 1HH1 ARG 855 8.129 6.635 -10.122 162 H LEU 856 H LEU 856 3.959 1.375 -3.144 163 HA LEU 856 HA LEU 856 6.062 2.104 -1.165 164 1HB LEU 856 1HB LEU 856 4.455 2.100 0.459 165 2HB LEU 856 2HB LEU 856 3.381 2.429 -0.922 166 HG LEU 856 HG LEU 856 2.852 0.062 -1.142 167 1HD1 LEU 856 1HD1 LEU 856 3.887 -1.248 1.049 168 2HD1 LEU 856 2HD1 LEU 856 4.576 -1.321 -0.591 169 3HD1 LEU 856 3HD1 LEU 856 5.236 -0.176 0.602 170 1HD2 LEU 856 1HD2 LEU 856 1.856 1.611 0.760 171 2HD2 LEU 856 2HD2 LEU 856 1.484 -0.130 0.741 172 3HD2 LEU 856 3HD2 LEU 856 2.734 0.501 1.840 173 H TYR 857 H TYR 857 7.216 0.502 -0.133 174 HA TYR 857 HA TYR 857 7.274 -2.080 -1.456 175 1HB TYR 857 1HB TYR 857 9.394 -1.656 -0.819 176 2HB TYR 857 2HB TYR 857 8.888 -0.533 0.455 177 HD1 TYR 857 1HD TYR 857 8.280 -4.203 -0.095 178 HD2 TYR 857 2HD TYR 857 9.871 -1.139 2.462 179 HE1 TYR 857 1HE TYR 857 8.811 -5.911 1.622 180 HE2 TYR 857 2HE TYR 857 10.402 -2.848 4.179 181 HH TYR 857 HH TYR 857 10.471 -5.087 4.672 182 H LEU 858 H LEU 858 5.437 -3.272 -1.078 183 HA LEU 858 HA LEU 858 4.292 -3.442 1.593 184 1HB LEU 858 1HB LEU 858 2.956 -3.529 -0.531 185 2HB LEU 858 2HB LEU 858 3.711 -5.100 -0.891 186 HG LEU 858 HG LEU 858 2.431 -6.193 0.637 187 1HD1 LEU 858 1HD1 LEU 858 3.597 -5.354 2.563 188 2HD1 LEU 858 2HD1 LEU 858 2.866 -3.741 2.383 189 3HD1 LEU 858 3HD1 LEU 858 1.862 -5.122 2.888 190 1HD2 LEU 858 1HD2 LEU 858 0.252 -5.381 0.712 191 2HD2 LEU 858 2HD2 LEU 858 0.774 -3.712 1.046 192 3HD2 LEU 858 3HD2 LEU 858 0.926 -4.380 -0.597 193 HA PRO 859 HA PRO 859 7.205 -6.665 2.687 194 1HB PRO 859 1HB PRO 859 6.567 -6.761 5.334 195 2HB PRO 859 2HB PRO 859 7.467 -5.379 4.628 196 1HG PRO 859 1HG PRO 859 4.482 -5.569 5.121 197 2HG PRO 859 2HG PRO 859 5.591 -4.260 5.647 198 1HD PRO 859 1HD PRO 859 4.127 -4.048 3.357 199 2HD PRO 859 2HD PRO 859 5.818 -3.464 3.410 200 HA PRO 860 HA PRO 860 4.439 -10.097 2.358 201 1HB PRO 860 1HB PRO 860 6.146 -12.125 2.988 202 2HB PRO 860 2HB PRO 860 6.348 -11.148 1.498 203 1HG PRO 860 1HG PRO 860 7.735 -10.743 4.164 204 2HG PRO 860 2HG PRO 860 8.502 -10.876 2.548 205 1HD PRO 860 1HD PRO 860 7.953 -8.452 3.666 206 2HD PRO 860 2HD PRO 860 7.696 -8.723 1.915 207 H SER 861 H SER 861 6.122 -9.148 5.272 208 HA SER 861 HA SER 861 4.765 -11.095 6.972 209 1HB SER 861 1HB SER 861 6.976 -9.248 7.165 210 2HB SER 861 2HB SER 861 5.836 -8.953 8.500 211 HG SER 861 HG SER 861 7.205 -10.576 9.132 212 H THR 862 H THR 862 4.010 -8.089 5.500 213 HA THR 862 HA THR 862 2.359 -6.956 7.540 214 HB THR 862 HB THR 862 3.097 -6.430 4.791 215 HG1 THR 862 1HG THR 862 3.307 -5.105 6.709 216 1HG2 THR 862 1HG2 THR 862 0.864 -5.283 4.246 217 2HG2 THR 862 2HG2 THR 862 0.896 -7.057 4.094 218 3HG2 THR 862 3HG2 THR 862 0.150 -6.299 5.522 219 HA PRO 863 HA PRO 863 -1.135 -9.627 7.357 220 1HB PRO 863 1HB PRO 863 -3.002 -8.025 8.528 221 2HB PRO 863 2HB PRO 863 -1.589 -8.652 9.438 222 1HG PRO 863 1HG PRO 863 -1.852 -5.953 8.083 223 2HG PRO 863 2HG PRO 863 -1.365 -6.276 9.779 224 1HD PRO 863 1HD PRO 863 0.487 -5.895 7.816 225 2HD PRO 863 2HD PRO 863 0.745 -7.138 9.078 226 H ASP 864 H ASP 864 -2.793 -10.053 5.926 227 HA ASP 864 HA ASP 864 -4.244 -9.754 4.176 228 1HB ASP 864 1HB ASP 864 -4.274 -7.237 5.580 229 2HB ASP 864 2HB ASP 864 -4.351 -6.931 3.831 230 H PHE 865 H PHE 865 -1.133 -9.466 4.113 231 HA PHE 865 HA PHE 865 -0.275 -7.807 2.072 232 1HB PHE 865 1HB PHE 865 1.068 -9.400 3.514 233 2HB PHE 865 2HB PHE 865 0.567 -10.700 2.419 234 HD1 PHE 865 1HD PHE 865 2.041 -7.243 2.206 235 HD2 PHE 865 2HD PHE 865 2.037 -11.278 0.733 236 HE1 PHE 865 1HE PHE 865 3.922 -6.690 0.688 237 HE2 PHE 865 2HE PHE 865 3.919 -10.725 -0.785 238 HZ PHE 865 HZ PHE 865 4.862 -8.432 -0.807 239 H SER 866 H SER 866 -1.439 -11.206 1.671 240 HA SER 866 HA SER 866 -1.358 -11.650 -0.952 241 1HB SER 866 1HB SER 866 -2.557 -13.236 0.274 242 2HB SER 866 2HB SER 866 -3.636 -12.017 0.992 243 HG SER 866 HG SER 866 -4.562 -11.736 -1.067 244 H ARG 867 H ARG 867 -3.944 -9.591 0.502 245 HA ARG 867 HA ARG 867 -4.801 -8.687 -2.127 246 1HB ARG 867 1HB ARG 867 -5.541 -7.450 0.535 247 2HB ARG 867 2HB ARG 867 -6.505 -7.544 -0.959 248 1HG ARG 867 1HG ARG 867 -7.486 -9.308 0.129 249 2HG ARG 867 2HG ARG 867 -6.079 -10.192 -0.510 250 1HD ARG 867 1HD ARG 867 -5.075 -9.046 1.804 251 2HD ARG 867 2HD ARG 867 -6.744 -9.445 2.266 252 HE ARG 867 HE ARG 867 -5.308 -11.594 0.893 253 1HH1 ARG 867 2HH2 ARG 867 -6.125 -10.056 3.970 254 2HH1 ARG 867 1HH2 ARG 867 -5.835 -11.495 4.922 255 1HH2 ARG 867 2HH1 ARG 867 -4.925 -13.494 2.151 256 2HH2 ARG 867 1HH1 ARG 867 -5.150 -13.455 3.885 257 H LEU 868 H LEU 868 -3.311 -7.113 0.763 258 HA LEU 868 HA LEU 868 -2.928 -4.574 0.022 259 1HB LEU 868 1HB LEU 868 -0.883 -6.518 1.136 260 2HB LEU 868 2HB LEU 868 -0.559 -4.774 0.984 261 HG LEU 868 HG LEU 868 -2.625 -6.185 2.691 262 1HD1 LEU 868 1HD1 LEU 868 -1.097 -5.622 4.254 263 2HD1 LEU 868 2HD1 LEU 868 -0.147 -4.707 3.059 264 3HD1 LEU 868 3HD1 LEU 868 -1.480 -3.914 3.932 265 1HD2 LEU 868 1HD2 LEU 868 -3.557 -3.856 3.114 266 2HD2 LEU 868 2HD2 LEU 868 -2.646 -3.312 1.686 267 3HD2 LEU 868 3HD2 LEU 868 -3.929 -4.533 1.511 268 H ARG 869 H ARG 869 -0.843 -7.253 -1.202 269 HA ARG 869 HA ARG 869 0.696 -5.655 -2.956 270 1HB ARG 869 1HB ARG 869 1.048 -8.089 -2.168 271 2HB ARG 869 2HB ARG 869 -0.072 -8.539 -3.476 272 1HG ARG 869 1HG ARG 869 1.689 -8.470 -4.888 273 2HG ARG 869 2HG ARG 869 1.725 -6.707 -4.646 274 1HD ARG 869 1HD ARG 869 3.911 -7.433 -4.078 275 2HD ARG 869 2HD ARG 869 3.094 -7.202 -2.517 276 HE ARG 869 HE ARG 869 3.124 -9.512 -2.157 277 1HH1 ARG 869 2HH2 ARG 869 4.185 -8.690 -5.428 278 2HH1 ARG 869 1HH2 ARG 869 4.802 -10.289 -5.777 279 1HH2 ARG 869 2HH1 ARG 869 3.939 -11.625 -2.618 280 2HH2 ARG 869 1HH1 ARG 869 4.662 -11.962 -4.175 281 H ARG 870 H ARG 870 -1.327 -8.180 -4.396 282 HA ARG 870 HA ARG 870 -1.810 -7.061 -6.810 283 1HB ARG 870 1HB ARG 870 -2.636 -9.280 -6.050 284 2HB ARG 870 2HB ARG 870 -3.916 -8.466 -5.120 285 1HG ARG 870 1HG ARG 870 -4.894 -9.112 -7.223 286 2HG ARG 870 2HG ARG 870 -4.631 -7.353 -7.301 287 1HD ARG 870 1HD ARG 870 -2.219 -8.360 -8.212 288 2HD ARG 870 2HD ARG 870 -3.389 -9.524 -8.869 289 HE ARG 870 HE ARG 870 -4.480 -7.034 -9.426 290 1HH1 ARG 870 2HH2 ARG 870 -1.436 -8.708 -10.087 291 2HH1 ARG 870 1HH2 ARG 870 -1.153 -7.882 -11.603 292 1HH2 ARG 870 2HH1 ARG 870 -4.106 -5.944 -11.429 293 2HH2 ARG 870 1HH1 ARG 870 -2.675 -6.307 -12.368 294 H TYR 871 H TYR 871 -3.881 -6.481 -3.910 295 HA TYR 871 HA TYR 871 -5.693 -4.701 -5.018 296 1HB TYR 871 1HB TYR 871 -5.608 -5.650 -2.669 297 2HB TYR 871 2HB TYR 871 -4.414 -4.398 -2.286 298 HD1 TYR 871 1HD TYR 871 -7.543 -4.229 -4.350 299 HD2 TYR 871 2HD TYR 871 -5.459 -2.906 -0.835 300 HE1 TYR 871 1HE TYR 871 -9.375 -2.630 -3.866 301 HE2 TYR 871 2HE TYR 871 -7.291 -1.307 -0.350 302 HH TYR 871 HH TYR 871 -10.001 -1.251 -1.063 303 H PHE 872 H PHE 872 -2.815 -3.628 -3.119 304 HA PHE 872 HA PHE 872 -2.852 -0.960 -3.783 305 1HB PHE 872 1HB PHE 872 -1.271 -2.205 -2.242 306 2HB PHE 872 2HB PHE 872 -0.337 -2.649 -3.681 307 HD1 PHE 872 1HD PHE 872 0.229 -0.547 -5.269 308 HD2 PHE 872 2HD PHE 872 -0.574 -0.350 -1.054 309 HE1 PHE 872 1HE PHE 872 1.459 1.602 -5.135 310 HE2 PHE 872 2HE PHE 872 0.656 1.799 -0.920 311 HZ PHE 872 HZ PHE 872 1.672 2.776 -2.961 312 H VAL 873 H VAL 873 -0.153 -2.641 -5.299 313 HA VAL 873 HA VAL 873 0.263 -1.196 -7.486 314 HB VAL 873 HB VAL 873 1.618 -3.034 -7.531 315 1HG1 VAL 873 1HG1 VAL 873 -0.806 -4.775 -6.903 316 2HG1 VAL 873 2HG1 VAL 873 0.894 -5.300 -6.919 317 3HG1 VAL 873 3HG1 VAL 873 0.334 -4.136 -5.695 318 1HG2 VAL 873 1HG2 VAL 873 -0.505 -4.427 -9.156 319 2HG2 VAL 873 2HG2 VAL 873 0.134 -2.866 -9.725 320 3HG2 VAL 873 3HG2 VAL 873 1.234 -4.245 -9.486 321 H ALA 874 H ALA 874 -2.521 -3.393 -7.089 322 HA ALA 874 HA ALA 874 -3.529 -3.275 -9.714 323 1HB ALA 874 1HB ALA 874 -5.795 -3.457 -8.268 324 2HB ALA 874 2HB ALA 874 -4.666 -4.821 -8.454 325 3HB ALA 874 3HB ALA 874 -4.616 -3.819 -6.984 326 H PHE 875 H PHE 875 -4.381 -1.227 -6.862 327 HA PHE 875 HA PHE 875 -6.213 0.479 -7.884 328 1HB PHE 875 1HB PHE 875 -3.723 1.363 -6.388 329 2HB PHE 875 2HB PHE 875 -5.270 2.223 -6.461 330 HD1 PHE 875 1HD PHE 875 -5.970 -1.218 -6.368 331 HD2 PHE 875 2HD PHE 875 -4.693 2.023 -3.855 332 HE1 PHE 875 1HE PHE 875 -6.757 -2.458 -4.369 333 HE2 PHE 875 2HE PHE 875 -5.479 0.783 -1.856 334 HZ PHE 875 HZ PHE 875 -6.510 -1.457 -2.113 335 H ASP 876 H ASP 876 -2.669 0.723 -8.475 336 HA ASP 876 HA ASP 876 -2.475 1.279 -11.052 337 1HB ASP 876 1HB ASP 876 -4.075 3.433 -9.803 338 2HB ASP 876 2HB ASP 876 -2.744 4.000 -10.835 339 H GLY 877 H GLY 877 -1.233 1.109 -8.179 340 1HA GLY 877 1HA GLY 877 0.953 3.084 -8.581 341 2HA GLY 877 2HA GLY 877 0.574 2.232 -7.066 342 H ASP 878 H ASP 878 2.619 1.323 -6.756 343 HA ASP 878 HA ASP 878 3.154 -1.042 -8.399 344 1HB ASP 878 1HB ASP 878 4.809 1.449 -8.468 345 2HB ASP 878 2HB ASP 878 5.670 -0.104 -8.404 346 H LEU 879 H LEU 879 4.789 -2.441 -7.394 347 HA LEU 879 HA LEU 879 5.303 -1.770 -4.542 348 1HB LEU 879 1HB LEU 879 4.370 -4.482 -5.553 349 2HB LEU 879 2HB LEU 879 4.622 -3.983 -3.863 350 HG LEU 879 HG LEU 879 2.488 -3.033 -5.806 351 1HD1 LEU 879 1HD1 LEU 879 2.639 -4.627 -3.274 352 2HD1 LEU 879 2HD1 LEU 879 1.238 -3.548 -3.475 353 3HD1 LEU 879 3HD1 LEU 879 1.563 -4.819 -4.678 354 1HD2 LEU 879 1HD2 LEU 879 2.629 -0.990 -4.850 355 2HD2 LEU 879 2HD2 LEU 879 2.114 -1.754 -3.327 356 3HD2 LEU 879 3HD2 LEU 879 3.847 -1.557 -3.683 357 H VAL 880 H VAL 880 7.395 -2.008 -4.025 358 HA VAL 880 HA VAL 880 9.107 -3.533 -5.915 359 HB VAL 880 HB VAL 880 10.476 -1.962 -3.865 360 1HG1 VAL 880 1HG1 VAL 880 11.593 -1.053 -5.859 361 2HG1 VAL 880 2HG1 VAL 880 11.450 -2.822 -5.992 362 3HG1 VAL 880 3HG1 VAL 880 10.343 -1.768 -6.905 363 1HG2 VAL 880 1HG2 VAL 880 8.830 -0.339 -3.788 364 2HG2 VAL 880 2HG2 VAL 880 9.691 0.198 -5.250 365 3HG2 VAL 880 3HG2 VAL 880 8.195 -0.755 -5.398 366 H GLN 881 H GLN 881 11.193 -4.358 -4.608 367 HA GLN 881 HA GLN 881 10.086 -6.068 -2.442 368 1HB GLN 881 1HB GLN 881 12.657 -6.500 -3.990 369 2HB GLN 881 2HB GLN 881 11.716 -7.685 -3.054 370 1HG GLN 881 1HG GLN 881 9.827 -7.400 -4.666 371 2HG GLN 881 2HG GLN 881 10.846 -6.305 -5.626 372 1HE2 GLN 881 1HE2 GLN 881 10.184 -9.631 -4.720 373 2HE2 GLN 881 2HE2 GLN 881 11.309 -10.383 -5.832 374 H GLU 882 H GLU 882 10.887 -5.943 -0.405 375 HA GLU 882 HA GLU 882 12.042 -3.883 0.781 376 1HB GLU 882 1HB GLU 882 11.522 -6.092 1.853 377 2HB GLU 882 2HB GLU 882 13.079 -6.705 1.246 378 1HG GLU 882 1HG GLU 882 14.008 -4.492 2.399 379 2HG GLU 882 2HG GLU 882 12.524 -4.644 3.365 380 H PHE 883 H PHE 883 14.241 -6.501 -0.384 381 HA PHE 883 HA PHE 883 16.529 -4.761 -0.313 382 1HB PHE 883 1HB PHE 883 17.693 -6.638 -1.314 383 2HB PHE 883 2HB PHE 883 16.625 -7.216 -0.023 384 HD1 PHE 883 1HD PHE 883 14.620 -8.522 -0.535 385 HD2 PHE 883 2HD PHE 883 17.263 -7.178 -3.643 386 HE1 PHE 883 1HE PHE 883 13.566 -10.112 -2.120 387 HE2 PHE 883 2HE PHE 883 16.208 -8.768 -5.228 388 HZ PHE 883 HZ PHE 883 14.360 -10.235 -4.466 389 H ASP 884 H ASP 884 13.926 -4.446 -2.192 390 HA ASP 884 HA ASP 884 15.541 -3.418 -4.460 391 1HB ASP 884 1HB ASP 884 13.021 -5.109 -4.670 392 2HB ASP 884 2HB ASP 884 13.818 -4.281 -6.026 393 H MET 885 H MET 885 15.247 -1.333 -3.499 394 HA MET 885 HA MET 885 12.548 -0.239 -4.043 395 1HB MET 885 1HB MET 885 13.205 1.173 -1.823 396 2HB MET 885 2HB MET 885 12.208 -0.301 -1.785 397 1HG MET 885 1HG MET 885 14.427 -1.586 -1.585 398 2HG MET 885 2HG MET 885 15.174 -0.018 -1.234 399 1HE MET 885 1HE MET 885 11.476 -1.382 0.367 400 2HE MET 885 2HE MET 885 12.535 -2.494 -0.533 401 3HE MET 885 3HE MET 885 12.414 -2.619 1.238 402 H THR 886 H THR 886 16.030 0.225 -3.448 403 HA THR 886 HA THR 886 16.836 2.634 -3.617 404 HB THR 886 HB THR 886 18.423 2.164 -5.302 405 HG1 THR 886 1HG THR 886 16.600 0.282 -6.391 406 1HG2 THR 886 1HG2 THR 886 18.286 0.484 -3.391 407 2HG2 THR 886 2HG2 THR 886 17.410 -0.593 -4.504 408 3HG2 THR 886 3HG2 THR 886 19.085 -0.112 -4.865 409 H SER 887 H SER 887 14.943 1.368 -6.412 410 HA SER 887 HA SER 887 14.510 4.156 -7.305 411 1HB SER 887 1HB SER 887 14.548 1.472 -8.549 412 2HB SER 887 2HB SER 887 13.234 2.531 -9.117 413 HG SER 887 HG SER 887 16.021 3.044 -9.105 414 H ALA 888 H ALA 888 13.026 1.646 -5.481 415 HA ALA 888 HA ALA 888 10.338 1.769 -6.030 416 1HB ALA 888 1HB ALA 888 10.979 0.333 -4.292 417 2HB ALA 888 2HB ALA 888 11.891 1.606 -3.444 418 3HB ALA 888 3HB ALA 888 10.111 1.627 -3.430 419 H THR 889 H THR 889 8.670 2.924 -4.448 420 HA THR 889 HA THR 889 9.401 5.814 -4.390 421 HB THR 889 HB THR 889 7.636 4.738 -6.137 422 HG1 THR 889 1HG THR 889 7.362 7.182 -4.714 423 1HG2 THR 889 1HG2 THR 889 5.515 4.469 -5.317 424 2HG2 THR 889 2HG2 THR 889 6.372 4.167 -3.787 425 3HG2 THR 889 3HG2 THR 889 5.700 5.779 -4.127 426 H HIS 890 H HIS 890 7.394 3.181 -3.010 427 HA HIS 890 HA HIS 890 7.403 4.701 -0.449 428 1HB HIS 890 1HB HIS 890 5.127 3.270 -1.839 429 2HB HIS 890 2HB HIS 890 5.115 3.589 -0.095 430 HD1 HIS 890 1HD HIS 890 6.224 6.037 -2.898 431 HD2 HIS 890 2HD HIS 890 3.364 5.510 0.144 432 HE1 HIS 890 1HE HIS 890 4.875 8.206 -2.773 433 H VAL 891 H VAL 891 6.882 3.195 1.439 434 HA VAL 891 HA VAL 891 7.638 0.392 0.980 435 HB VAL 891 HB VAL 891 9.376 0.694 2.893 436 1HG1 VAL 891 1HG1 VAL 891 10.843 0.381 1.205 437 2HG1 VAL 891 2HG1 VAL 891 9.514 0.733 0.075 438 3HG1 VAL 891 3HG1 VAL 891 10.595 2.041 0.612 439 1HG2 VAL 891 1HG2 VAL 891 10.475 3.019 2.644 440 2HG2 VAL 891 2HG2 VAL 891 8.939 3.532 1.906 441 3HG2 VAL 891 3HG2 VAL 891 8.965 2.936 3.583 442 H LEU 892 H LEU 892 6.513 -0.906 2.325 443 HA LEU 892 HA LEU 892 4.855 0.388 4.383 444 1HB LEU 892 1HB LEU 892 4.453 -1.681 2.561 445 2HB LEU 892 2HB LEU 892 4.660 -2.526 4.114 446 HG LEU 892 HG LEU 892 3.021 -0.147 4.458 447 1HD1 LEU 892 1HD1 LEU 892 2.597 -1.681 2.010 448 2HD1 LEU 892 2HD1 LEU 892 1.183 -1.780 3.086 449 3HD1 LEU 892 3HD1 LEU 892 1.794 -0.192 2.562 450 1HD2 LEU 892 1HD2 LEU 892 3.081 -3.027 5.123 451 2HD2 LEU 892 2HD2 LEU 892 2.548 -1.642 6.105 452 3HD2 LEU 892 3HD2 LEU 892 1.441 -2.369 4.916 453 H GLY 893 H GLY 893 4.985 -0.026 6.579 454 1HA GLY 893 1HA GLY 893 5.791 -1.044 8.527 455 2HA GLY 893 2HA GLY 893 6.926 -2.006 7.553 456 H SER 894 H SER 894 8.734 -0.731 6.474 457 HA SER 894 HA SER 894 9.523 1.611 8.131 458 1HB SER 894 1HB SER 894 11.205 -0.820 7.412 459 2HB SER 894 2HB SER 894 11.855 0.684 8.109 460 HG SER 894 HG SER 894 11.142 -1.187 9.540 461 H ARG 895 H ARG 895 12.056 1.928 6.858 462 HA ARG 895 HA ARG 895 11.397 2.221 3.989 463 1HB ARG 895 1HB ARG 895 12.199 4.589 4.067 464 2HB ARG 895 2HB ARG 895 10.691 4.333 4.978 465 1HG ARG 895 1HG ARG 895 11.720 5.229 6.776 466 2HG ARG 895 2HG ARG 895 12.769 3.792 6.811 467 1HD ARG 895 1HD ARG 895 14.319 4.906 5.220 468 2HD ARG 895 2HD ARG 895 13.283 6.349 5.238 469 HE ARG 895 HE ARG 895 14.342 5.386 7.828 470 1HH1 ARG 895 2HH2 ARG 895 14.459 7.682 5.141 471 2HH1 ARG 895 1HH2 ARG 895 15.392 8.872 6.020 472 1HH2 ARG 895 2HH1 ARG 895 15.574 6.959 8.988 473 2HH2 ARG 895 1HH1 ARG 895 16.028 8.460 8.213 474 H ASP 896 H ASP 896 13.701 2.184 6.680 475 HA ASP 896 HA ASP 896 16.133 2.655 5.971 476 1HB ASP 896 1HB ASP 896 15.887 1.143 7.764 477 2HB ASP 896 2HB ASP 896 15.075 -0.069 6.750 478 H LYS 897 H LYS 897 15.169 -0.565 4.720 479 HA LYS 897 HA LYS 897 16.927 -1.000 2.777 480 1HB LYS 897 1HB LYS 897 14.454 -1.409 1.438 481 2HB LYS 897 2HB LYS 897 15.410 -2.599 2.354 482 1HG LYS 897 1HG LYS 897 13.305 -2.615 3.437 483 2HG LYS 897 2HG LYS 897 14.299 -1.553 4.462 484 1HD LYS 897 1HD LYS 897 13.394 0.376 2.961 485 2HD LYS 897 2HD LYS 897 12.151 -0.796 2.464 486 1HE LYS 897 1HE LYS 897 12.116 -1.136 5.176 487 2HE LYS 897 2HE LYS 897 12.542 0.586 5.067 488 1HZ LYS 897 1HZ LYS 897 10.103 -0.156 5.057 489 2HZ LYS 897 2HZ LYS 897 10.591 1.068 4.065 490 3HZ LYS 897 3HZ LYS 897 10.360 -0.447 3.455 491 H ASN 898 H ASN 898 14.417 1.516 2.630 492 HA ASN 898 HA ASN 898 15.944 2.890 0.555 493 1HB ASN 898 1HB ASN 898 14.048 1.099 -0.321 494 2HB ASN 898 2HB ASN 898 13.108 2.604 -0.219 495 1HD2 ASN 898 1HD2 ASN 898 12.913 3.174 -2.353 496 2HD2 ASN 898 2HD2 ASN 898 14.270 3.479 -3.415 497 HA PRO 899 HA PRO 899 14.029 5.770 3.489 498 1HB PRO 899 1HB PRO 899 15.993 7.654 3.352 499 2HB PRO 899 2HB PRO 899 16.217 6.118 4.251 500 1HG PRO 899 1HG PRO 899 17.079 6.726 1.409 501 2HG PRO 899 2HG PRO 899 18.090 6.066 2.735 502 1HD PRO 899 1HD PRO 899 16.907 4.433 0.901 503 2HD PRO 899 2HD PRO 899 16.974 3.961 2.627 504 H ALA 900 H ALA 900 14.836 5.821 0.136 505 HA ALA 900 HA ALA 900 13.796 8.513 -0.348 506 1HB ALA 900 1HB ALA 900 14.537 8.210 -2.533 507 2HB ALA 900 2HB ALA 900 15.661 7.160 -1.637 508 3HB ALA 900 3HB ALA 900 14.270 6.450 -2.491 509 H ALA 901 H ALA 901 12.454 5.521 0.360 510 HA ALA 901 HA ALA 901 10.100 5.949 -1.393 511 1HB ALA 901 1HB ALA 901 10.778 3.710 -1.544 512 2HB ALA 901 2HB ALA 901 11.205 3.620 0.181 513 3HB ALA 901 3HB ALA 901 9.495 3.647 -0.312 514 H GLN 902 H GLN 902 8.015 6.197 -0.538 515 HA GLN 902 HA GLN 902 7.855 7.651 1.912 516 1HB GLN 902 1HB GLN 902 6.185 7.021 -0.318 517 2HB GLN 902 2HB GLN 902 5.305 6.561 1.159 518 1HG GLN 902 1HG GLN 902 6.210 9.252 0.225 519 2HG GLN 902 2HG GLN 902 4.744 8.790 1.118 520 1HE2 GLN 902 1HE2 GLN 902 5.661 7.505 3.338 521 2HE2 GLN 902 2HE2 GLN 902 6.655 8.570 4.308 522 H GLN 903 H GLN 903 7.661 6.973 3.967 523 HA GLN 903 HA GLN 903 7.483 4.086 4.463 524 1HB GLN 903 1HB GLN 903 8.903 6.116 5.630 525 2HB GLN 903 2HB GLN 903 7.518 5.983 6.741 526 1HG GLN 903 1HG GLN 903 7.914 3.541 6.922 527 2HG GLN 903 2HG GLN 903 9.311 3.693 5.835 528 1HE2 GLN 903 1HE2 GLN 903 11.110 3.394 7.041 529 2HE2 GLN 903 2HE2 GLN 903 11.450 4.196 8.560 530 H VAL 904 H VAL 904 5.326 3.597 3.891 531 HA VAL 904 HA VAL 904 3.235 4.947 5.516 532 HB VAL 904 HB VAL 904 1.921 4.780 3.696 533 1HG1 VAL 904 1HG1 VAL 904 3.051 4.375 1.537 534 2HG1 VAL 904 2HG1 VAL 904 4.072 5.369 2.604 535 3HG1 VAL 904 3HG1 VAL 904 4.429 3.638 2.390 536 1HG2 VAL 904 1HG2 VAL 904 1.300 2.516 4.134 537 2HG2 VAL 904 2HG2 VAL 904 1.778 2.549 2.420 538 3HG2 VAL 904 3HG2 VAL 904 2.898 1.903 3.643 539 H SER 905 H SER 905 1.331 3.299 5.981 540 HA SER 905 HA SER 905 2.536 0.768 6.988 541 1HB SER 905 1HB SER 905 1.768 1.131 9.109 542 2HB SER 905 2HB SER 905 1.916 2.838 8.626 543 HG SER 905 HG SER 905 -0.281 2.745 7.983 544 HA PRO 906 HA PRO 906 -1.107 -1.335 5.659 545 1HB PRO 906 1HB PRO 906 -2.328 -2.480 7.809 546 2HB PRO 906 2HB PRO 906 -0.668 -2.940 7.308 547 1HG PRO 906 1HG PRO 906 -1.455 -0.927 9.434 548 2HG PRO 906 2HG PRO 906 -0.318 -2.303 9.607 549 1HD PRO 906 1HD PRO 906 0.571 0.214 9.058 550 2HD PRO 906 2HD PRO 906 1.319 -1.206 8.265 551 H GLU 907 H GLU 907 -1.707 0.916 8.357 552 HA GLU 907 HA GLU 907 -4.543 1.129 7.882 553 1HB GLU 907 1HB GLU 907 -2.485 2.683 9.459 554 2HB GLU 907 2HB GLU 907 -4.151 3.285 9.287 555 1HG GLU 907 1HG GLU 907 -4.110 1.979 11.297 556 2HG GLU 907 2HG GLU 907 -4.936 0.992 10.072 557 H TRP 908 H TRP 908 -1.681 2.466 6.416 558 HA TRP 908 HA TRP 908 -2.851 4.877 5.397 559 1HB TRP 908 1HB TRP 908 -0.430 4.487 5.592 560 2HB TRP 908 2HB TRP 908 -0.537 3.192 4.392 561 HD1 TRP 908 HD TRP 908 -0.962 7.005 4.678 562 HE1 TRP 908 1HE TRP 908 -0.475 8.089 2.425 563 HE3 TRP 908 3HE TRP 908 -0.336 2.774 1.865 564 HZ2 TRP 908 2HZ TRP 908 0.115 7.233 -0.276 565 HZ3 TRP 908 3HZ TRP 908 0.187 2.949 -0.540 566 HH2 TRP 908 HH TRP 908 0.415 5.165 -1.624 567 H ILE 909 H ILE 909 -2.071 1.745 3.774 568 HA ILE 909 HA ILE 909 -3.142 2.138 1.305 569 HB ILE 909 HB ILE 909 -2.981 -0.198 3.157 570 1HG1 ILE 909 1HG1 ILE 909 -2.267 -0.675 0.407 571 2HG1 ILE 909 2HG1 ILE 909 -1.605 0.901 0.903 572 1HG2 ILE 909 1HG2 ILE 909 -4.129 -1.624 1.423 573 2HG2 ILE 909 2HG2 ILE 909 -5.228 -0.520 2.284 574 3HG2 ILE 909 3HG2 ILE 909 -4.687 -0.130 0.633 575 1HD1 ILE 909 1HD1 ILE 909 0.062 -0.678 1.528 576 2HD1 ILE 909 2HD1 ILE 909 -0.801 -0.309 3.040 577 3HD1 ILE 909 3HD1 ILE 909 -1.145 -1.821 2.166 578 H TRP 910 H TRP 910 -5.027 1.190 4.232 579 HA TRP 910 HA TRP 910 -7.555 1.196 2.938 580 1HB TRP 910 1HB TRP 910 -7.051 1.906 5.832 581 2HB TRP 910 2HB TRP 910 -8.467 1.114 5.127 582 HD1 TRP 910 HD TRP 910 -5.862 0.259 7.306 583 HE1 TRP 910 1HE TRP 910 -5.161 -2.187 7.213 584 HE3 TRP 910 3HE TRP 910 -7.955 -1.011 2.811 585 HZ2 TRP 910 2HZ TRP 910 -5.466 -4.432 5.412 586 HZ3 TRP 910 3HZ TRP 910 -7.729 -3.309 1.942 587 HH2 TRP 910 HH TRP 910 -6.491 -5.027 3.226 588 H ALA 911 H ALA 911 -6.484 3.604 5.391 589 HA ALA 911 HA ALA 911 -8.312 5.574 4.908 590 1HB ALA 911 1HB ALA 911 -5.383 5.662 5.636 591 2HB ALA 911 2HB ALA 911 -6.306 7.171 5.436 592 3HB ALA 911 3HB ALA 911 -6.807 5.976 6.657 593 H CYS 912 H CYS 912 -5.563 4.664 2.875 594 HA CYS 912 HA CYS 912 -5.712 7.001 1.178 595 1HB CYS 912 1HB CYS 912 -4.479 4.263 0.667 596 2HB CYS 912 2HB CYS 912 -4.134 5.766 -0.225 597 HG CYS 912 HG CYS 912 -2.650 4.581 2.112 598 H ILE 913 H ILE 913 -6.052 3.621 0.049 599 HA ILE 913 HA ILE 913 -7.573 4.074 -2.174 600 HB ILE 913 HB ILE 913 -6.721 1.870 -1.558 601 1HG1 ILE 913 1HG1 ILE 913 -9.762 1.959 -1.763 602 2HG1 ILE 913 2HG1 ILE 913 -8.614 1.953 -3.124 603 1HG2 ILE 913 1HG2 ILE 913 -7.043 1.027 0.507 604 2HG2 ILE 913 2HG2 ILE 913 -7.992 2.475 0.920 605 3HG2 ILE 913 3HG2 ILE 913 -8.806 1.035 0.262 606 1HD1 ILE 913 1HD1 ILE 913 -8.103 -0.238 -1.244 607 2HD1 ILE 913 2HD1 ILE 913 -9.753 -0.299 -1.908 608 3HD1 ILE 913 3HD1 ILE 913 -8.352 -0.291 -3.006 609 H ARG 914 H ARG 914 -8.632 4.179 1.200 610 HA ARG 914 HA ARG 914 -11.456 4.203 0.582 611 1HB ARG 914 1HB ARG 914 -10.623 3.456 2.761 612 2HB ARG 914 2HB ARG 914 -9.896 5.055 3.053 613 1HG ARG 914 1HG ARG 914 -12.647 5.437 2.311 614 2HG ARG 914 2HG ARG 914 -12.580 4.203 3.592 615 1HD ARG 914 1HD ARG 914 -11.300 5.676 5.029 616 2HD ARG 914 2HD ARG 914 -11.125 6.872 3.727 617 HE ARG 914 HE ARG 914 -13.845 6.632 3.989 618 1HH1 ARG 914 2HH2 ARG 914 -11.182 7.240 6.234 619 2HH1 ARG 914 1HH2 ARG 914 -12.143 8.211 7.326 620 1HH2 ARG 914 2HH1 ARG 914 -15.115 7.915 5.432 621 2HH2 ARG 914 1HH1 ARG 914 -14.386 8.596 6.869 622 H LYS 915 H LYS 915 -8.869 6.600 0.873 623 HA LYS 915 HA LYS 915 -10.802 8.819 0.775 624 1HB LYS 915 1HB LYS 915 -7.778 8.640 0.992 625 2HB LYS 915 2HB LYS 915 -8.649 10.182 0.812 626 1HG LYS 915 1HG LYS 915 -9.424 8.186 2.958 627 2HG LYS 915 2HG LYS 915 -8.109 9.356 3.222 628 1HD LYS 915 1HD LYS 915 -9.588 11.223 2.872 629 2HD LYS 915 2HD LYS 915 -10.888 10.161 2.280 630 1HE LYS 915 1HE LYS 915 -11.522 10.575 4.505 631 2HE LYS 915 2HE LYS 915 -10.693 9.007 4.610 632 1HZ LYS 915 1HZ LYS 915 -8.700 10.227 5.231 633 2HZ LYS 915 2HZ LYS 915 -9.557 11.636 5.247 634 3HZ LYS 915 3HZ LYS 915 -9.929 10.432 6.312 635 H ARG 916 H ARG 916 -9.327 6.701 -1.391 636 HA ARG 916 HA ARG 916 -9.164 6.699 -3.674 637 1HB ARG 916 1HB ARG 916 -11.014 9.020 -3.172 638 2HB ARG 916 2HB ARG 916 -10.379 8.752 -4.813 639 1HG ARG 916 1HG ARG 916 -12.497 7.558 -4.575 640 2HG ARG 916 2HG ARG 916 -11.172 6.373 -4.675 641 1HD ARG 916 1HD ARG 916 -12.698 5.739 -2.873 642 2HD ARG 916 2HD ARG 916 -11.141 6.246 -2.184 643 HE ARG 916 HE ARG 916 -12.448 8.558 -2.025 644 1HH1 ARG 916 2HH2 ARG 916 -13.593 5.275 -1.385 645 2HH1 ARG 916 1HH2 ARG 916 -14.763 5.770 -0.182 646 1HH2 ARG 916 2HH1 ARG 916 -13.993 9.212 -0.436 647 2HH2 ARG 916 1HH1 ARG 916 -14.990 8.015 0.359 648 H ARG 917 H ARG 917 -7.658 8.793 -1.650 649 HA ARG 917 HA ARG 917 -5.788 9.625 -3.767 650 1HB ARG 917 1HB ARG 917 -5.941 11.921 -2.232 651 2HB ARG 917 2HB ARG 917 -6.690 11.699 -3.832 652 1HG ARG 917 1HG ARG 917 -8.194 10.654 -1.461 653 2HG ARG 917 2HG ARG 917 -8.120 12.421 -1.664 654 1HD ARG 917 1HD ARG 917 -8.745 11.896 -4.159 655 2HD ARG 917 2HD ARG 917 -9.294 10.336 -3.508 656 HE ARG 917 HE ARG 917 -11.070 11.406 -2.441 657 1HH1 ARG 917 2HH2 ARG 917 -8.766 13.743 -3.755 658 2HH1 ARG 917 1HH2 ARG 917 -9.815 15.122 -3.509 659 1HH2 ARG 917 2HH1 ARG 917 -12.455 13.227 -2.116 660 2HH2 ARG 917 1HH1 ARG 917 -11.918 14.827 -2.574 661 H LEU 918 H LEU 918 -3.836 8.997 -3.078 662 HA LEU 918 HA LEU 918 -3.088 7.850 -0.771 663 1HB LEU 918 1HB LEU 918 -1.638 9.768 -2.585 664 2HB LEU 918 2HB LEU 918 -0.831 9.172 -1.114 665 HG LEU 918 HG LEU 918 -0.314 7.293 -2.251 666 1HD1 LEU 918 1HD1 LEU 918 -2.245 6.359 -1.108 667 2HD1 LEU 918 2HD1 LEU 918 -3.346 7.010 -2.345 668 3HD1 LEU 918 3HD1 LEU 918 -2.210 5.705 -2.764 669 1HD2 LEU 918 1HD2 LEU 918 -2.131 8.543 -4.321 670 2HD2 LEU 918 2HD2 LEU 918 -0.373 8.270 -4.389 671 3HD2 LEU 918 3HD2 LEU 918 -1.495 6.898 -4.560 672 H VAL 919 H VAL 919 -3.112 8.301 1.349 673 HA VAL 919 HA VAL 919 -3.497 11.132 2.148 674 HB VAL 919 HB VAL 919 -4.784 10.344 3.851 675 1HG1 VAL 919 1HG1 VAL 919 -4.840 7.585 2.742 676 2HG1 VAL 919 2HG1 VAL 919 -6.172 8.736 3.007 677 3HG1 VAL 919 3HG1 VAL 919 -5.141 8.884 1.563 678 1HG2 VAL 919 1HG2 VAL 919 -4.055 7.822 4.679 679 2HG2 VAL 919 2HG2 VAL 919 -2.494 8.482 4.136 680 3HG2 VAL 919 3HG2 VAL 919 -3.434 9.334 5.384 681 H ALA 920 H ALA 920 -2.636 10.930 4.804 682 HA ALA 920 HA ALA 920 0.182 11.333 4.473 683 1HB ALA 920 1HB ALA 920 0.057 11.397 7.053 684 2HB ALA 920 2HB ALA 920 -0.887 12.610 6.154 685 3HB ALA 920 3HB ALA 920 -1.698 11.184 6.843 686 HA PRO 921 HA PRO 921 1.137 6.963 4.785 687 1HB PRO 921 1HB PRO 921 3.750 7.175 4.042 688 2HB PRO 921 2HB PRO 921 2.412 7.388 2.866 689 1HG PRO 921 1HG PRO 921 3.899 9.559 4.372 690 2HG PRO 921 2HG PRO 921 3.619 9.458 2.603 691 1HD PRO 921 1HD PRO 921 1.989 10.928 4.219 692 2HD PRO 921 2HD PRO 921 1.304 9.965 2.875 693 H CYS 922 H CYS 922 1.679 5.908 6.622 694 HA CYS 922 HA CYS 922 3.789 6.998 8.361 695 1HB CYS 922 1HB CYS 922 1.356 7.883 8.945 696 2HB CYS 922 2HB CYS 922 1.178 6.262 9.661 697 HG CYS 922 HG CYS 922 2.102 8.615 11.098 Start of MODEL 20 1 H GLY 835 H GLY 835 -7.288 0.121 12.393 2 1HA GLY 835 1HA GLY 835 -6.786 -0.990 10.091 3 2HA GLY 835 2HA GLY 835 -8.088 -1.697 11.075 4 H SER 836 H SER 836 -10.280 -1.294 10.535 5 HA SER 836 HA SER 836 -12.049 -0.765 9.172 6 1HB SER 836 1HB SER 836 -10.125 1.347 8.673 7 2HB SER 836 2HB SER 836 -10.985 0.928 7.172 8 HG SER 836 HG SER 836 -12.396 1.213 9.588 9 H ALA 837 H ALA 837 -9.613 -2.675 8.545 10 HA ALA 837 HA ALA 837 -9.346 -3.007 5.786 11 1HB ALA 837 1HB ALA 837 -8.199 -4.224 7.766 12 2HB ALA 837 2HB ALA 837 -9.590 -5.334 7.707 13 3HB ALA 837 3HB ALA 837 -8.527 -5.162 6.289 14 H ASP 838 H ASP 838 -11.944 -4.087 7.989 15 HA ASP 838 HA ASP 838 -13.346 -5.396 5.753 16 1HB ASP 838 1HB ASP 838 -14.854 -6.202 7.443 17 2HB ASP 838 2HB ASP 838 -13.201 -6.393 8.066 18 H GLU 839 H GLU 839 -12.864 -2.295 6.486 19 HA GLU 839 HA GLU 839 -15.711 -1.486 6.243 20 1HB GLU 839 1HB GLU 839 -13.209 -0.236 7.312 21 2HB GLU 839 2HB GLU 839 -14.423 0.841 6.582 22 1HG GLU 839 1HG GLU 839 -15.881 -0.986 8.172 23 2HG GLU 839 2HG GLU 839 -14.475 -0.519 9.153 24 H THR 840 H THR 840 -12.831 -1.963 4.437 25 HA THR 840 HA THR 840 -14.014 -0.392 2.202 26 HB THR 840 HB THR 840 -12.178 0.893 2.105 27 HG1 THR 840 1HG THR 840 -11.091 -0.458 0.828 28 1HG2 THR 840 1HG2 THR 840 -11.416 -0.809 4.497 29 2HG2 THR 840 2HG2 THR 840 -10.344 0.478 3.895 30 3HG2 THR 840 3HG2 THR 840 -11.981 0.879 4.468 31 H LEU 841 H LEU 841 -11.141 -2.523 2.590 32 HA LEU 841 HA LEU 841 -11.503 -3.859 0.138 33 1HB LEU 841 1HB LEU 841 -9.379 -4.031 1.142 34 2HB LEU 841 2HB LEU 841 -10.058 -4.521 2.712 35 HG LEU 841 HG LEU 841 -9.053 -6.248 0.782 36 1HD1 LEU 841 1HD1 LEU 841 -10.856 -6.476 3.176 37 2HD1 LEU 841 2HD1 LEU 841 -10.604 -7.925 2.174 38 3HD1 LEU 841 3HD1 LEU 841 -9.212 -7.111 2.929 39 1HD2 LEU 841 1HD2 LEU 841 -11.424 -5.524 -0.314 40 2HD2 LEU 841 2HD2 LEU 841 -10.734 -7.154 -0.496 41 3HD2 LEU 841 3HD2 LEU 841 -11.980 -6.847 0.738 42 H CYS 842 H CYS 842 -13.268 -4.091 3.085 43 HA CYS 842 HA CYS 842 -14.041 -6.747 3.248 44 1HB CYS 842 1HB CYS 842 -14.925 -5.424 4.932 45 2HB CYS 842 2HB CYS 842 -15.376 -4.114 3.813 46 HG CYS 842 HG CYS 842 -17.468 -4.987 2.942 47 H GLN 843 H GLN 843 -14.409 -4.637 0.590 48 HA GLN 843 HA GLN 843 -16.719 -6.165 -0.472 49 1HB GLN 843 1HB GLN 843 -15.454 -3.881 -1.943 50 2HB GLN 843 2HB GLN 843 -17.169 -4.338 -1.803 51 1HG GLN 843 1HG GLN 843 -16.084 -3.681 0.808 52 2HG GLN 843 2HG GLN 843 -15.789 -2.349 -0.330 53 1HE2 GLN 843 1HE2 GLN 843 -18.296 -4.451 1.101 54 2HE2 GLN 843 2HE2 GLN 843 -19.639 -3.368 0.805 55 H THR 844 H THR 844 -14.724 -7.881 -0.342 56 HA THR 844 HA THR 844 -13.618 -9.372 -1.701 57 HB THR 844 HB THR 844 -15.177 -7.821 -3.544 58 HG1 THR 844 1HG THR 844 -15.173 -9.777 -4.591 59 1HG2 THR 844 1HG2 THR 844 -12.260 -8.062 -4.161 60 2HG2 THR 844 2HG2 THR 844 -13.392 -8.464 -5.473 61 3HG2 THR 844 3HG2 THR 844 -13.445 -6.855 -4.713 62 H LYS 845 H LYS 845 -12.868 -6.300 -3.415 63 HA LYS 845 HA LYS 845 -10.220 -6.216 -2.142 64 1HB LYS 845 1HB LYS 845 -10.578 -7.569 -4.584 65 2HB LYS 845 2HB LYS 845 -9.919 -5.976 -5.027 66 1HG LYS 845 1HG LYS 845 -8.098 -7.584 -4.575 67 2HG LYS 845 2HG LYS 845 -8.099 -6.274 -3.369 68 1HD LYS 845 1HD LYS 845 -9.820 -8.540 -2.609 69 2HD LYS 845 2HD LYS 845 -8.111 -8.999 -2.802 70 1HE LYS 845 1HE LYS 845 -7.425 -7.198 -1.288 71 2HE LYS 845 2HE LYS 845 -9.108 -6.644 -1.148 72 1HZ LYS 845 1HZ LYS 845 -8.016 -9.209 -0.237 73 2HZ LYS 845 2HZ LYS 845 -8.565 -7.970 0.703 74 3HZ LYS 845 3HZ LYS 845 -9.621 -8.829 -0.228 75 H VAL 846 H VAL 846 -12.938 -4.834 -3.719 76 HA VAL 846 HA VAL 846 -13.377 -2.696 -4.502 77 HB VAL 846 HB VAL 846 -13.478 -1.252 -2.706 78 1HG1 VAL 846 1HG1 VAL 846 -13.632 -3.979 -2.083 79 2HG1 VAL 846 2HG1 VAL 846 -12.615 -3.297 -0.791 80 3HG1 VAL 846 3HG1 VAL 846 -14.241 -2.636 -1.087 81 1HG2 VAL 846 1HG2 VAL 846 -11.693 -0.765 -1.212 82 2HG2 VAL 846 2HG2 VAL 846 -10.874 -2.307 -1.558 83 3HG2 VAL 846 3HG2 VAL 846 -10.904 -1.020 -2.787 84 H LEU 847 H LEU 847 -10.054 -2.606 -3.082 85 HA LEU 847 HA LEU 847 -8.095 -1.771 -3.920 86 1HB LEU 847 1HB LEU 847 -9.373 -1.739 -6.666 87 2HB LEU 847 2HB LEU 847 -7.665 -1.996 -6.235 88 HG LEU 847 HG LEU 847 -8.655 -4.147 -6.812 89 1HD1 LEU 847 1HD1 LEU 847 -8.757 -4.566 -3.911 90 2HD1 LEU 847 2HD1 LEU 847 -7.582 -5.171 -5.103 91 3HD1 LEU 847 3HD1 LEU 847 -7.377 -3.551 -4.394 92 1HD2 LEU 847 1HD2 LEU 847 -11.014 -3.136 -6.012 93 2HD2 LEU 847 2HD2 LEU 847 -10.712 -4.890 -6.069 94 3HD2 LEU 847 3HD2 LEU 847 -10.589 -4.015 -4.523 95 H LEU 848 H LEU 848 -10.178 -0.268 -6.407 96 HA LEU 848 HA LEU 848 -10.765 1.920 -6.763 97 1HB LEU 848 1HB LEU 848 -10.443 1.757 -3.845 98 2HB LEU 848 2HB LEU 848 -10.113 3.380 -4.496 99 HG LEU 848 HG LEU 848 -12.556 1.796 -5.348 100 1HD1 LEU 848 1HD1 LEU 848 -12.013 3.264 -2.799 101 2HD1 LEU 848 2HD1 LEU 848 -13.579 3.576 -3.586 102 3HD1 LEU 848 3HD1 LEU 848 -13.131 1.917 -3.123 103 1HD2 LEU 848 1HD2 LEU 848 -12.517 3.598 -6.754 104 2HD2 LEU 848 2HD2 LEU 848 -13.192 4.455 -5.348 105 3HD2 LEU 848 3HD2 LEU 848 -11.446 4.536 -5.685 106 H ASP 849 H ASP 849 -9.753 4.140 -6.975 107 HA ASP 849 HA ASP 849 -6.975 3.788 -7.777 108 1HB ASP 849 1HB ASP 849 -8.805 6.218 -7.810 109 2HB ASP 849 2HB ASP 849 -7.220 6.101 -8.605 110 H ILE 850 H ILE 850 -6.827 3.270 -5.188 111 HA ILE 850 HA ILE 850 -6.460 5.668 -3.582 112 HB ILE 850 HB ILE 850 -5.247 3.136 -2.659 113 1HG1 ILE 850 1HG1 ILE 850 -7.236 2.490 -4.206 114 2HG1 ILE 850 2HG1 ILE 850 -7.225 1.839 -2.549 115 1HG2 ILE 850 1HG2 ILE 850 -6.127 5.433 -1.507 116 2HG2 ILE 850 2HG2 ILE 850 -7.592 4.435 -1.343 117 3HG2 ILE 850 3HG2 ILE 850 -6.054 3.879 -0.641 118 1HD1 ILE 850 1HD1 ILE 850 -8.574 4.019 -1.967 119 2HD1 ILE 850 2HD1 ILE 850 -8.908 4.063 -3.715 120 3HD1 ILE 850 3HD1 ILE 850 -9.416 2.658 -2.747 121 H PHE 851 H PHE 851 -4.041 3.104 -3.543 122 HA PHE 851 HA PHE 851 -1.868 4.911 -3.518 123 1HB PHE 851 1HB PHE 851 -1.660 2.076 -4.520 124 2HB PHE 851 2HB PHE 851 -0.510 3.001 -3.540 125 HD1 PHE 851 1HD PHE 851 -1.630 3.865 -1.207 126 HD2 PHE 851 2HD PHE 851 -2.781 0.377 -3.434 127 HE1 PHE 851 1HE PHE 851 -2.576 2.862 0.854 128 HE2 PHE 851 2HE PHE 851 -3.727 -0.626 -1.373 129 HZ PHE 851 HZ PHE 851 -3.625 0.616 0.771 130 H THR 852 H THR 852 -3.622 5.602 -5.690 131 HA THR 852 HA THR 852 -3.034 4.759 -8.219 132 HB THR 852 HB THR 852 -4.270 6.953 -7.107 133 HG1 THR 852 1HG THR 852 -5.103 6.421 -8.962 134 1HG2 THR 852 1HG2 THR 852 -3.201 8.901 -8.327 135 2HG2 THR 852 2HG2 THR 852 -2.244 8.271 -6.966 136 3HG2 THR 852 3HG2 THR 852 -1.796 7.853 -8.637 137 H GLY 853 H GLY 853 -1.061 4.069 -8.883 138 1HA GLY 853 1HA GLY 853 1.129 4.195 -9.560 139 2HA GLY 853 2HA GLY 853 0.967 5.965 -9.509 140 H VAL 854 H VAL 854 0.105 4.506 -6.544 141 HA VAL 854 HA VAL 854 2.498 5.592 -5.270 142 HB VAL 854 HB VAL 854 -0.112 4.383 -4.349 143 1HG1 VAL 854 1HG1 VAL 854 0.621 4.184 -2.136 144 2HG1 VAL 854 2HG1 VAL 854 2.037 3.586 -3.035 145 3HG1 VAL 854 3HG1 VAL 854 2.024 5.248 -2.399 146 1HG2 VAL 854 1HG2 VAL 854 0.034 6.622 -3.015 147 2HG2 VAL 854 2HG2 VAL 854 1.345 7.030 -4.148 148 3HG2 VAL 854 3HG2 VAL 854 -0.292 6.700 -4.763 149 H ARG 855 H ARG 855 4.308 4.383 -5.583 150 HA ARG 855 HA ARG 855 4.117 1.447 -5.427 151 1HB ARG 855 1HB ARG 855 6.223 1.419 -6.434 152 2HB ARG 855 2HB ARG 855 5.509 2.898 -7.120 153 1HG ARG 855 1HG ARG 855 6.580 4.110 -5.085 154 2HG ARG 855 2HG ARG 855 7.558 2.634 -4.901 155 1HD ARG 855 1HD ARG 855 8.597 4.483 -6.324 156 2HD ARG 855 2HD ARG 855 8.508 2.879 -7.083 157 HE ARG 855 HE ARG 855 6.152 4.243 -7.784 158 1HH1 ARG 855 2HH2 ARG 855 9.646 4.559 -8.223 159 2HH1 ARG 855 1HH2 ARG 855 9.517 5.373 -9.765 160 1HH2 ARG 855 2HH1 ARG 855 5.981 5.319 -9.822 161 2HH2 ARG 855 1HH1 ARG 855 7.427 5.807 -10.677 162 H LEU 856 H LEU 856 3.633 1.114 -3.222 163 HA LEU 856 HA LEU 856 5.693 2.069 -1.302 164 1HB LEU 856 1HB LEU 856 4.037 2.207 0.245 165 2HB LEU 856 2HB LEU 856 2.956 2.206 -1.169 166 HG LEU 856 HG LEU 856 2.607 -0.174 -0.999 167 1HD1 LEU 856 1HD1 LEU 856 3.861 -1.107 1.268 168 2HD1 LEU 856 2HD1 LEU 856 4.473 -1.329 -0.388 169 3HD1 LEU 856 3HD1 LEU 856 5.086 0.007 0.615 170 1HD2 LEU 856 1HD2 LEU 856 2.580 0.511 1.917 171 2HD2 LEU 856 2HD2 LEU 856 1.664 1.574 0.822 172 3HD2 LEU 856 3HD2 LEU 856 1.290 -0.165 0.894 173 H TYR 857 H TYR 857 6.969 0.645 -0.197 174 HA TYR 857 HA TYR 857 7.129 -2.058 -1.229 175 1HB TYR 857 1HB TYR 857 9.232 -1.468 -0.676 176 2HB TYR 857 2HB TYR 857 8.687 -0.243 0.483 177 HD1 TYR 857 1HD TYR 857 8.134 -3.955 0.384 178 HD2 TYR 857 2HD TYR 857 9.844 -0.610 2.467 179 HE1 TYR 857 1HE TYR 857 8.770 -5.448 2.260 180 HE2 TYR 857 2HE TYR 857 10.480 -2.103 4.342 181 HH TYR 857 HH TYR 857 10.575 -4.262 5.103 182 H LEU 858 H LEU 858 5.447 -3.376 -0.687 183 HA LEU 858 HA LEU 858 4.296 -3.288 1.995 184 1HB LEU 858 1HB LEU 858 2.970 -3.704 -0.102 185 2HB LEU 858 2HB LEU 858 3.816 -5.261 -0.270 186 HG LEU 858 HG LEU 858 2.595 -6.231 1.383 187 1HD1 LEU 858 1HD1 LEU 858 1.994 -4.963 3.505 188 2HD1 LEU 858 2HD1 LEU 858 3.738 -5.083 3.172 189 3HD1 LEU 858 3HD1 LEU 858 2.869 -3.567 2.831 190 1HD2 LEU 858 1HD2 LEU 858 0.795 -3.830 1.545 191 2HD2 LEU 858 2HD2 LEU 858 1.000 -4.619 -0.038 192 3HD2 LEU 858 3HD2 LEU 858 0.380 -5.549 1.347 193 HA PRO 859 HA PRO 859 7.429 -6.169 3.404 194 1HB PRO 859 1HB PRO 859 6.846 -5.969 6.058 195 2HB PRO 859 2HB PRO 859 7.650 -4.638 5.163 196 1HG PRO 859 1HG PRO 859 4.690 -4.931 5.750 197 2HG PRO 859 2HG PRO 859 5.730 -3.507 6.083 198 1HD PRO 859 1HD PRO 859 4.216 -3.666 3.822 199 2HD PRO 859 2HD PRO 859 5.870 -2.986 3.760 200 HA PRO 860 HA PRO 860 4.889 -9.777 3.596 201 1HB PRO 860 1HB PRO 860 6.705 -11.588 4.515 202 2HB PRO 860 2HB PRO 860 6.866 -10.824 2.900 203 1HG PRO 860 1HG PRO 860 8.197 -9.959 5.483 204 2HG PRO 860 2HG PRO 860 8.988 -10.276 3.905 205 1HD PRO 860 1HD PRO 860 8.286 -7.754 4.662 206 2HD PRO 860 2HD PRO 860 8.063 -8.288 2.968 207 H SER 861 H SER 861 6.582 -8.423 6.371 208 HA SER 861 HA SER 861 5.282 -10.149 8.316 209 1HB SER 861 1HB SER 861 7.383 -8.160 8.249 210 2HB SER 861 2HB SER 861 6.227 -7.779 9.548 211 HG SER 861 HG SER 861 7.885 -9.993 9.209 212 H THR 862 H THR 862 4.383 -7.410 6.452 213 HA THR 862 HA THR 862 2.655 -6.112 8.328 214 HB THR 862 HB THR 862 3.335 -5.957 5.487 215 HG1 THR 862 1HG THR 862 2.202 -4.145 7.360 216 1HG2 THR 862 1HG2 THR 862 0.986 -6.694 5.219 217 2HG2 THR 862 2HG2 THR 862 0.457 -5.413 6.335 218 3HG2 THR 862 3HG2 THR 862 1.175 -4.984 4.764 219 HA PRO 863 HA PRO 863 -0.694 -8.967 8.455 220 1HB PRO 863 1HB PRO 863 -2.650 -7.336 9.422 221 2HB PRO 863 2HB PRO 863 -1.215 -7.777 10.404 222 1HG PRO 863 1HG PRO 863 -1.603 -5.275 8.737 223 2HG PRO 863 2HG PRO 863 -1.115 -5.369 10.461 224 1HD PRO 863 1HD PRO 863 0.733 -5.129 8.472 225 2HD PRO 863 2HD PRO 863 1.042 -6.198 9.874 226 H ASP 864 H ASP 864 -2.480 -9.576 7.199 227 HA ASP 864 HA ASP 864 -3.892 -9.574 5.397 228 1HB ASP 864 1HB ASP 864 -4.101 -6.989 6.533 229 2HB ASP 864 2HB ASP 864 -3.973 -6.747 4.777 230 H PHE 865 H PHE 865 -0.765 -9.080 5.303 231 HA PHE 865 HA PHE 865 0.058 -7.723 3.080 232 1HB PHE 865 1HB PHE 865 1.399 -9.186 4.671 233 2HB PHE 865 2HB PHE 865 0.907 -10.570 3.680 234 HD1 PHE 865 1HD PHE 865 2.236 -7.103 3.048 235 HD2 PHE 865 2HD PHE 865 2.517 -11.305 2.203 236 HE1 PHE 865 1HE PHE 865 4.121 -6.665 1.497 237 HE2 PHE 865 2HE PHE 865 4.402 -10.867 0.652 238 HZ PHE 865 HZ PHE 865 5.205 -8.547 0.300 239 H SER 866 H SER 866 -1.210 -11.105 3.054 240 HA SER 866 HA SER 866 -1.125 -11.864 0.504 241 1HB SER 866 1HB SER 866 -2.431 -13.004 2.285 242 2HB SER 866 2HB SER 866 -3.716 -11.787 2.099 243 HG SER 866 HG SER 866 -2.735 -13.379 -0.032 244 H ARG 867 H ARG 867 -3.939 -9.853 1.538 245 HA ARG 867 HA ARG 867 -4.564 -9.118 -1.166 246 1HB ARG 867 1HB ARG 867 -5.429 -7.619 1.319 247 2HB ARG 867 2HB ARG 867 -6.318 -7.859 -0.205 248 1HG ARG 867 1HG ARG 867 -5.864 -9.783 2.071 249 2HG ARG 867 2HG ARG 867 -7.355 -9.439 1.161 250 1HD ARG 867 1HD ARG 867 -5.879 -10.400 -0.862 251 2HD ARG 867 2HD ARG 867 -5.059 -11.240 0.472 252 HE ARG 867 HE ARG 867 -7.757 -11.654 0.943 253 1HH1 ARG 867 2HH2 ARG 867 -5.513 -12.223 -1.729 254 2HH1 ARG 867 1HH2 ARG 867 -6.365 -13.630 -2.325 255 1HH2 ARG 867 2HH1 ARG 867 -8.882 -13.513 0.156 256 2HH2 ARG 867 1HH1 ARG 867 -8.285 -14.366 -1.249 257 H LEU 868 H LEU 868 -3.088 -7.342 1.604 258 HA LEU 868 HA LEU 868 -2.696 -4.856 0.676 259 1HB LEU 868 1HB LEU 868 -0.726 -6.738 1.997 260 2HB LEU 868 2HB LEU 868 -0.306 -5.043 1.652 261 HG LEU 868 HG LEU 868 -2.326 -6.166 3.573 262 1HD1 LEU 868 1HD1 LEU 868 -1.294 -3.584 4.243 263 2HD1 LEU 868 2HD1 LEU 868 -0.892 -5.152 4.983 264 3HD1 LEU 868 3HD1 LEU 868 0.058 -4.550 3.604 265 1HD2 LEU 868 1HD2 LEU 868 -2.579 -3.502 2.113 266 2HD2 LEU 868 2HD2 LEU 868 -3.735 -4.856 2.066 267 3HD2 LEU 868 3HD2 LEU 868 -3.492 -3.945 3.576 268 H ARG 869 H ARG 869 -0.725 -7.680 -0.376 269 HA ARG 869 HA ARG 869 0.865 -6.204 -2.228 270 1HB ARG 869 1HB ARG 869 1.209 -8.569 -1.206 271 2HB ARG 869 2HB ARG 869 0.148 -9.128 -2.521 272 1HG ARG 869 1HG ARG 869 2.032 -9.199 -3.784 273 2HG ARG 869 2HG ARG 869 1.910 -7.424 -3.830 274 1HD ARG 869 1HD ARG 869 4.093 -7.762 -3.041 275 2HD ARG 869 2HD ARG 869 3.171 -7.523 -1.541 276 HE ARG 869 HE ARG 869 3.478 -9.775 -0.989 277 1HH1 ARG 869 2HH2 ARG 869 4.609 -9.066 -4.263 278 2HH1 ARG 869 1HH2 ARG 869 5.450 -10.589 -4.449 279 1HH2 ARG 869 2HH1 ARG 869 4.589 -11.787 -1.236 280 2HH2 ARG 869 1HH1 ARG 869 5.439 -12.140 -2.723 281 H ARG 870 H ARG 870 -1.149 -8.873 -3.410 282 HA ARG 870 HA ARG 870 -1.625 -8.010 -5.928 283 1HB ARG 870 1HB ARG 870 -2.457 -10.139 -5.016 284 2HB ARG 870 2HB ARG 870 -3.684 -9.264 -4.069 285 1HG ARG 870 1HG ARG 870 -4.959 -9.763 -5.930 286 2HG ARG 870 2HG ARG 870 -4.243 -8.233 -6.490 287 1HD ARG 870 1HD ARG 870 -2.369 -10.324 -7.041 288 2HD ARG 870 2HD ARG 870 -3.961 -10.867 -7.613 289 HE ARG 870 HE ARG 870 -3.581 -8.182 -8.447 290 1HH1 ARG 870 2HH2 ARG 870 -2.292 -11.427 -9.004 291 2HH1 ARG 870 1HH2 ARG 870 -1.812 -11.101 -10.655 292 1HH2 ARG 870 2HH1 ARG 870 -2.947 -7.752 -10.627 293 2HH2 ARG 870 1HH1 ARG 870 -2.185 -9.005 -11.580 294 H TYR 871 H TYR 871 -3.853 -7.234 -3.188 295 HA TYR 871 HA TYR 871 -5.604 -5.549 -4.452 296 1HB TYR 871 1HB TYR 871 -5.474 -6.250 -1.997 297 2HB TYR 871 2HB TYR 871 -4.353 -4.896 -1.772 298 HD1 TYR 871 1HD TYR 871 -5.408 -3.178 -0.637 299 HD2 TYR 871 2HD TYR 871 -7.554 -5.275 -3.711 300 HE1 TYR 871 1HE TYR 871 -7.328 -1.634 -0.350 301 HE2 TYR 871 2HE TYR 871 -9.473 -3.731 -3.425 302 HH TYR 871 HH TYR 871 -9.865 -1.655 -0.798 303 H PHE 872 H PHE 872 -2.847 -4.167 -2.588 304 HA PHE 872 HA PHE 872 -2.878 -1.623 -3.588 305 1HB PHE 872 1HB PHE 872 -1.331 -2.600 -1.859 306 2HB PHE 872 2HB PHE 872 -0.360 -3.267 -3.182 307 HD1 PHE 872 1HD PHE 872 0.236 -1.421 -5.072 308 HD2 PHE 872 2HD PHE 872 -0.614 -0.607 -0.941 309 HE1 PHE 872 1HE PHE 872 1.483 0.717 -5.237 310 HE2 PHE 872 2HE PHE 872 0.633 1.531 -1.106 311 HZ PHE 872 HZ PHE 872 1.681 2.193 -3.254 312 H VAL 873 H VAL 873 -0.124 -3.454 -4.818 313 HA VAL 873 HA VAL 873 0.337 -2.257 -7.151 314 HB VAL 873 HB VAL 873 1.729 -4.058 -6.907 315 1HG1 VAL 873 1HG1 VAL 873 0.838 -6.355 -6.249 316 2HG1 VAL 873 2HG1 VAL 873 0.609 -5.075 -5.033 317 3HG1 VAL 873 3HG1 VAL 873 -0.757 -5.590 -6.051 318 1HG2 VAL 873 1HG2 VAL 873 1.433 -5.544 -8.706 319 2HG2 VAL 873 2HG2 VAL 873 -0.333 -5.600 -8.495 320 3HG2 VAL 873 3HG2 VAL 873 0.435 -4.151 -9.186 321 H ALA 874 H ALA 874 -2.413 -4.452 -6.561 322 HA ALA 874 HA ALA 874 -3.335 -4.635 -9.230 323 1HB ALA 874 1HB ALA 874 -5.573 -5.065 -8.069 324 2HB ALA 874 2HB ALA 874 -4.224 -6.124 -7.589 325 3HB ALA 874 3HB ALA 874 -4.720 -4.780 -6.533 326 H PHE 875 H PHE 875 -4.020 -2.261 -6.624 327 HA PHE 875 HA PHE 875 -6.033 -0.775 -7.781 328 1HB PHE 875 1HB PHE 875 -3.580 0.297 -6.348 329 2HB PHE 875 2HB PHE 875 -5.129 1.135 -6.536 330 HD1 PHE 875 1HD PHE 875 -4.746 1.255 -3.939 331 HD2 PHE 875 2HD PHE 875 -5.669 -2.346 -6.092 332 HE1 PHE 875 1HE PHE 875 -5.561 0.210 -1.842 333 HE2 PHE 875 2HE PHE 875 -6.484 -3.391 -3.996 334 HZ PHE 875 HZ PHE 875 -6.430 -2.113 -1.871 335 H ASP 876 H ASP 876 -2.514 -0.606 -8.468 336 HA ASP 876 HA ASP 876 -2.325 -0.237 -11.052 337 1HB ASP 876 1HB ASP 876 -3.899 2.064 -9.982 338 2HB ASP 876 2HB ASP 876 -2.670 2.431 -11.213 339 H GLY 877 H GLY 877 -1.071 -0.115 -8.191 340 1HA GLY 877 1HA GLY 877 1.069 1.861 -8.805 341 2HA GLY 877 2HA GLY 877 0.689 1.204 -7.197 342 H ASP 878 H ASP 878 2.726 0.354 -6.742 343 HA ASP 878 HA ASP 878 3.311 -2.195 -8.040 344 1HB ASP 878 1HB ASP 878 4.731 0.263 -8.743 345 2HB ASP 878 2HB ASP 878 5.823 -0.971 -8.078 346 H LEU 879 H LEU 879 5.002 -3.389 -6.866 347 HA LEU 879 HA LEU 879 5.506 -2.294 -4.145 348 1HB LEU 879 1HB LEU 879 4.769 -5.184 -4.704 349 2HB LEU 879 2HB LEU 879 4.869 -4.355 -3.132 350 HG LEU 879 HG LEU 879 2.808 -3.972 -5.332 351 1HD1 LEU 879 1HD1 LEU 879 2.889 -5.003 -2.512 352 2HD1 LEU 879 2HD1 LEU 879 1.420 -4.155 -3.051 353 3HD1 LEU 879 3HD1 LEU 879 1.978 -5.607 -3.917 354 1HD2 LEU 879 1HD2 LEU 879 2.757 -1.778 -4.788 355 2HD2 LEU 879 2HD2 LEU 879 2.162 -2.281 -3.187 356 3HD2 LEU 879 3HD2 LEU 879 3.903 -2.019 -3.448 357 H VAL 880 H VAL 880 7.622 -2.294 -3.691 358 HA VAL 880 HA VAL 880 9.376 -4.087 -5.288 359 HB VAL 880 HB VAL 880 10.736 -2.053 -3.714 360 1HG1 VAL 880 1HG1 VAL 880 11.598 -3.287 -5.716 361 2HG1 VAL 880 2HG1 VAL 880 10.396 -2.438 -6.718 362 3HG1 VAL 880 3HG1 VAL 880 11.685 -1.519 -5.906 363 1HG2 VAL 880 1HG2 VAL 880 8.294 -1.286 -5.284 364 2HG2 VAL 880 2HG2 VAL 880 8.991 -0.535 -3.828 365 3HG2 VAL 880 3HG2 VAL 880 9.733 -0.247 -5.420 366 H GLN 881 H GLN 881 10.705 -5.554 -4.295 367 HA GLN 881 HA GLN 881 10.030 -6.418 -1.664 368 1HB GLN 881 1HB GLN 881 12.403 -7.034 -3.465 369 2HB GLN 881 2HB GLN 881 12.022 -7.909 -1.962 370 1HG GLN 881 1HG GLN 881 9.845 -8.571 -2.860 371 2HG GLN 881 2HG GLN 881 10.128 -7.611 -4.328 372 1HE2 GLN 881 1HE2 GLN 881 11.511 -8.384 -5.947 373 2HE2 GLN 881 2HE2 GLN 881 12.155 -10.012 -5.940 374 H GLU 882 H GLU 882 10.818 -5.880 0.304 375 HA GLU 882 HA GLU 882 11.949 -3.626 1.081 376 1HB GLU 882 1HB GLU 882 11.469 -5.562 2.572 377 2HB GLU 882 2HB GLU 882 12.992 -6.318 2.044 378 1HG GLU 882 1HG GLU 882 14.000 -3.950 2.732 379 2HG GLU 882 2HG GLU 882 12.550 -3.886 3.757 380 H PHE 883 H PHE 883 14.245 -6.355 0.559 381 HA PHE 883 HA PHE 883 16.480 -4.607 0.243 382 1HB PHE 883 1HB PHE 883 17.674 -6.621 -0.402 383 2HB PHE 883 2HB PHE 883 16.620 -6.960 0.981 384 HD1 PHE 883 1HD PHE 883 14.701 -8.430 0.773 385 HD2 PHE 883 2HD PHE 883 17.176 -7.534 -2.621 386 HE1 PHE 883 1HE PHE 883 13.665 -10.305 -0.477 387 HE2 PHE 883 2HE PHE 883 16.141 -9.409 -3.872 388 HZ PHE 883 HZ PHE 883 14.385 -10.794 -2.800 389 H ASP 884 H ASP 884 14.007 -4.262 -1.565 390 HA ASP 884 HA ASP 884 15.570 -3.775 -4.004 391 1HB ASP 884 1HB ASP 884 13.131 -5.587 -3.913 392 2HB ASP 884 2HB ASP 884 13.818 -4.905 -5.403 393 H MET 885 H MET 885 15.238 -1.567 -3.607 394 HA MET 885 HA MET 885 12.517 -0.647 -4.278 395 1HB MET 885 1HB MET 885 13.156 1.139 -2.313 396 2HB MET 885 2HB MET 885 12.117 -0.285 -2.068 397 1HG MET 885 1HG MET 885 14.280 -1.578 -1.587 398 2HG MET 885 2HG MET 885 15.079 0.001 -1.493 399 1HE MET 885 1HE MET 885 12.463 -2.234 1.349 400 2HE MET 885 2HE MET 885 11.380 -1.201 0.386 401 3HE MET 885 3HE MET 885 12.491 -2.328 -0.429 402 H THR 886 H THR 886 15.807 0.449 -3.265 403 HA THR 886 HA THR 886 16.665 2.599 -3.967 404 HB THR 886 HB THR 886 18.216 1.961 -5.629 405 HG1 THR 886 1HG THR 886 17.741 0.420 -7.168 406 1HG2 THR 886 1HG2 THR 886 17.941 0.431 -3.505 407 2HG2 THR 886 2HG2 THR 886 17.366 -0.778 -4.678 408 3HG2 THR 886 3HG2 THR 886 19.004 -0.099 -4.831 409 H SER 887 H SER 887 14.856 1.026 -6.669 410 HA SER 887 HA SER 887 14.305 3.704 -7.784 411 1HB SER 887 1HB SER 887 14.469 0.936 -8.784 412 2HB SER 887 2HB SER 887 13.075 1.845 -9.418 413 HG SER 887 HG SER 887 15.442 3.252 -9.315 414 H ALA 888 H ALA 888 12.917 1.395 -5.680 415 HA ALA 888 HA ALA 888 10.218 1.357 -6.249 416 1HB ALA 888 1HB ALA 888 11.772 1.506 -3.661 417 2HB ALA 888 2HB ALA 888 9.993 1.458 -3.651 418 3HB ALA 888 3HB ALA 888 10.914 0.121 -4.379 419 H THR 889 H THR 889 8.535 2.612 -4.732 420 HA THR 889 HA THR 889 9.181 5.515 -4.944 421 HB THR 889 HB THR 889 7.475 4.229 -6.630 422 HG1 THR 889 1HG THR 889 7.048 6.803 -5.507 423 1HG2 THR 889 1HG2 THR 889 5.533 5.467 -4.713 424 2HG2 THR 889 2HG2 THR 889 5.303 4.126 -5.860 425 3HG2 THR 889 3HG2 THR 889 6.144 3.843 -4.318 426 H HIS 890 H HIS 890 7.181 2.958 -3.415 427 HA HIS 890 HA HIS 890 7.053 4.697 -0.998 428 1HB HIS 890 1HB HIS 890 4.907 3.022 -2.318 429 2HB HIS 890 2HB HIS 890 4.819 3.481 -0.607 430 HD1 HIS 890 1HD HIS 890 5.988 5.833 -3.447 431 HD2 HIS 890 2HD HIS 890 2.850 5.226 -0.709 432 HE1 HIS 890 1HE HIS 890 4.480 7.893 -3.589 433 H VAL 891 H VAL 891 6.776 3.460 1.034 434 HA VAL 891 HA VAL 891 7.528 0.618 0.896 435 HB VAL 891 HB VAL 891 9.398 1.077 2.567 436 1HG1 VAL 891 1HG1 VAL 891 10.548 2.419 0.325 437 2HG1 VAL 891 2HG1 VAL 891 10.622 0.684 0.716 438 3HG1 VAL 891 3HG1 VAL 891 9.308 1.310 -0.310 439 1HG2 VAL 891 1HG2 VAL 891 10.368 3.374 2.463 440 2HG2 VAL 891 2HG2 VAL 891 8.966 3.901 1.500 441 3HG2 VAL 891 3HG2 VAL 891 8.739 3.364 3.182 442 H LEU 892 H LEU 892 6.274 -0.434 2.313 443 HA LEU 892 HA LEU 892 4.691 1.030 4.240 444 1HB LEU 892 1HB LEU 892 4.500 -1.399 2.894 445 2HB LEU 892 2HB LEU 892 4.824 -1.883 4.576 446 HG LEU 892 HG LEU 892 2.942 0.316 4.549 447 1HD1 LEU 892 1HD1 LEU 892 1.856 -0.149 2.601 448 2HD1 LEU 892 2HD1 LEU 892 2.603 -1.758 2.458 449 3HD1 LEU 892 3HD1 LEU 892 1.183 -1.526 3.506 450 1HD2 LEU 892 1HD2 LEU 892 3.203 -2.480 5.567 451 2HD2 LEU 892 2HD2 LEU 892 2.758 -0.989 6.431 452 3HD2 LEU 892 3HD2 LEU 892 1.549 -1.837 5.438 453 H GLY 893 H GLY 893 5.353 1.663 6.202 454 1HA GLY 893 1HA GLY 893 6.575 1.779 8.144 455 2HA GLY 893 2HA GLY 893 6.557 0.001 8.111 456 H SER 894 H SER 894 8.548 2.684 8.157 457 HA SER 894 HA SER 894 10.849 2.797 8.084 458 1HB SER 894 1HB SER 894 10.375 -0.100 7.553 459 2HB SER 894 2HB SER 894 11.940 0.562 7.025 460 HG SER 894 HG SER 894 11.817 1.573 9.281 461 H ARG 895 H ARG 895 12.645 2.830 6.382 462 HA ARG 895 HA ARG 895 11.618 2.811 3.616 463 1HB ARG 895 1HB ARG 895 12.521 5.123 3.261 464 2HB ARG 895 2HB ARG 895 11.115 5.072 4.352 465 1HG ARG 895 1HG ARG 895 12.426 5.442 6.268 466 2HG ARG 895 2HG ARG 895 13.920 4.894 5.469 467 1HD ARG 895 1HD ARG 895 14.364 6.962 4.682 468 2HD ARG 895 2HD ARG 895 12.706 7.163 4.076 469 HE ARG 895 HE ARG 895 12.198 8.392 5.962 470 1HH1 ARG 895 2HH2 ARG 895 15.122 6.482 6.515 471 2HH1 ARG 895 1HH2 ARG 895 15.462 7.203 8.073 472 1HH2 ARG 895 2HH1 ARG 895 12.649 9.344 8.019 473 2HH2 ARG 895 1HH1 ARG 895 14.052 8.834 8.930 474 H ASP 896 H ASP 896 14.236 2.985 5.987 475 HA ASP 896 HA ASP 896 16.580 3.234 4.966 476 1HB ASP 896 1HB ASP 896 17.097 0.700 5.625 477 2HB ASP 896 2HB ASP 896 16.703 1.924 6.851 478 H LYS 897 H LYS 897 15.227 0.008 4.134 479 HA LYS 897 HA LYS 897 16.760 -0.730 2.070 480 1HB LYS 897 1HB LYS 897 14.127 -1.112 1.071 481 2HB LYS 897 2HB LYS 897 15.126 -2.267 1.986 482 1HG LYS 897 1HG LYS 897 13.190 -2.065 3.317 483 2HG LYS 897 2HG LYS 897 14.327 -0.933 4.087 484 1HD LYS 897 1HD LYS 897 13.302 0.851 2.498 485 2HD LYS 897 2HD LYS 897 11.983 -0.321 2.266 486 1HE LYS 897 1HE LYS 897 12.194 -0.387 4.972 487 2HE LYS 897 2HE LYS 897 12.720 1.284 4.670 488 1HZ LYS 897 1HZ LYS 897 10.284 0.198 3.477 489 2HZ LYS 897 2HZ LYS 897 10.285 0.866 4.985 490 3HZ LYS 897 3HZ LYS 897 10.718 1.776 3.679 491 H ASN 898 H ASN 898 14.419 1.938 1.983 492 HA ASN 898 HA ASN 898 15.748 3.054 -0.342 493 1HB ASN 898 1HB ASN 898 13.901 1.215 -1.019 494 2HB ASN 898 2HB ASN 898 12.829 2.616 -0.800 495 1HD2 ASN 898 1HD2 ASN 898 12.379 2.606 -3.089 496 2HD2 ASN 898 2HD2 ASN 898 13.543 3.249 -4.228 497 HA PRO 899 HA PRO 899 14.074 6.218 2.440 498 1HB PRO 899 1HB PRO 899 16.030 8.058 1.978 499 2HB PRO 899 2HB PRO 899 16.316 6.609 2.998 500 1HG PRO 899 1HG PRO 899 16.959 6.941 0.053 501 2HG PRO 899 2HG PRO 899 18.066 6.394 1.354 502 1HD PRO 899 1HD PRO 899 16.738 4.612 -0.223 503 2HD PRO 899 2HD PRO 899 16.936 4.302 1.528 504 H ALA 900 H ALA 900 14.565 5.913 -0.946 505 HA ALA 900 HA ALA 900 13.504 8.573 -1.594 506 1HB ALA 900 1HB ALA 900 13.612 6.649 -3.784 507 2HB ALA 900 2HB ALA 900 14.479 8.191 -3.586 508 3HB ALA 900 3HB ALA 900 15.147 6.698 -2.884 509 H ALA 901 H ALA 901 12.196 5.773 -0.414 510 HA ALA 901 HA ALA 901 9.791 5.845 -2.135 511 1HB ALA 901 1HB ALA 901 10.145 3.624 -1.789 512 2HB ALA 901 2HB ALA 901 11.093 3.901 -0.308 513 3HB ALA 901 3HB ALA 901 9.314 3.931 -0.246 514 H GLN 902 H GLN 902 8.016 4.905 -0.040 515 HA GLN 902 HA GLN 902 7.821 7.373 1.622 516 1HB GLN 902 1HB GLN 902 5.798 5.970 -0.107 517 2HB GLN 902 2HB GLN 902 5.251 6.778 1.381 518 1HG GLN 902 1HG GLN 902 6.798 8.024 -0.926 519 2HG GLN 902 2HG GLN 902 5.118 8.364 -0.456 520 1HE2 GLN 902 1HE2 GLN 902 5.825 8.179 2.465 521 2HE2 GLN 902 2HE2 GLN 902 6.626 9.690 2.839 522 H GLN 903 H GLN 903 7.499 7.055 3.768 523 HA GLN 903 HA GLN 903 7.462 4.267 4.705 524 1HB GLN 903 1HB GLN 903 7.918 6.969 5.998 525 2HB GLN 903 2HB GLN 903 7.716 5.486 6.962 526 1HG GLN 903 1HG GLN 903 9.852 4.911 6.562 527 2HG GLN 903 2HG GLN 903 9.546 4.940 4.812 528 1HE2 GLN 903 1HE2 GLN 903 9.985 6.853 3.602 529 2HE2 GLN 903 2HE2 GLN 903 11.016 8.117 4.239 530 H VAL 904 H VAL 904 5.150 4.317 3.613 531 HA VAL 904 HA VAL 904 3.099 5.552 5.290 532 HB VAL 904 HB VAL 904 1.786 5.239 3.482 533 1HG1 VAL 904 1HG1 VAL 904 4.255 5.626 2.596 534 2HG1 VAL 904 2HG1 VAL 904 4.072 3.964 1.987 535 3HG1 VAL 904 3HG1 VAL 904 2.944 5.234 1.458 536 1HG2 VAL 904 1HG2 VAL 904 2.846 2.402 3.618 537 2HG2 VAL 904 2HG2 VAL 904 1.196 2.991 3.932 538 3HG2 VAL 904 3HG2 VAL 904 1.820 2.939 2.266 539 H SER 905 H SER 905 1.187 4.038 5.920 540 HA SER 905 HA SER 905 2.285 1.501 7.029 541 1HB SER 905 1HB SER 905 1.678 3.779 8.514 542 2HB SER 905 2HB SER 905 0.217 2.775 8.670 543 HG SER 905 HG SER 905 2.901 2.039 9.224 544 HA PRO 906 HA PRO 906 -1.550 -0.436 6.001 545 1HB PRO 906 1HB PRO 906 -2.823 -1.261 8.264 546 2HB PRO 906 2HB PRO 906 -1.213 -1.901 7.798 547 1HG PRO 906 1HG PRO 906 -1.803 0.369 9.720 548 2HG PRO 906 2HG PRO 906 -0.776 -1.071 10.019 549 1HD PRO 906 1HD PRO 906 0.301 1.300 9.215 550 2HD PRO 906 2HD PRO 906 0.921 -0.247 8.561 551 H GLU 907 H GLU 907 -1.807 2.255 8.265 552 HA GLU 907 HA GLU 907 -4.665 2.605 7.940 553 1HB GLU 907 1HB GLU 907 -2.546 4.554 8.923 554 2HB GLU 907 2HB GLU 907 -4.302 4.670 9.185 555 1HG GLU 907 1HG GLU 907 -4.187 3.286 10.956 556 2HG GLU 907 2HG GLU 907 -3.342 2.055 9.993 557 H TRP 908 H TRP 908 -1.733 3.663 6.284 558 HA TRP 908 HA TRP 908 -2.899 5.863 4.876 559 1HB TRP 908 1HB TRP 908 -0.483 5.523 5.153 560 2HB TRP 908 2HB TRP 908 -0.570 4.047 4.181 561 HD1 TRP 908 HD TRP 908 -0.869 7.855 3.859 562 HE1 TRP 908 1HE TRP 908 -0.405 8.555 1.455 563 HE3 TRP 908 3HE TRP 908 -0.534 3.218 1.719 564 HZ2 TRP 908 2HZ TRP 908 0.056 7.268 -1.096 565 HZ3 TRP 908 3HZ TRP 908 -0.082 2.995 -0.697 566 HH2 TRP 908 HH TRP 908 0.215 5.005 -2.115 567 H ILE 909 H ILE 909 -2.418 2.394 4.068 568 HA ILE 909 HA ILE 909 -3.383 2.440 1.443 569 HB ILE 909 HB ILE 909 -3.158 0.427 3.635 570 1HG1 ILE 909 1HG1 ILE 909 -2.488 -0.429 0.950 571 2HG1 ILE 909 2HG1 ILE 909 -1.801 1.185 1.253 572 1HG2 ILE 909 1HG2 ILE 909 -4.363 -1.271 2.322 573 2HG2 ILE 909 2HG2 ILE 909 -5.459 0.062 2.756 574 3HG2 ILE 909 3HG2 ILE 909 -4.798 -0.044 1.108 575 1HD1 ILE 909 1HD1 ILE 909 -0.206 -0.515 1.988 576 2HD1 ILE 909 2HD1 ILE 909 -0.860 0.325 3.414 577 3HD1 ILE 909 3HD1 ILE 909 -1.454 -1.298 2.987 578 H TRP 910 H TRP 910 -5.223 1.845 4.493 579 HA TRP 910 HA TRP 910 -7.762 1.679 3.233 580 1HB TRP 910 1HB TRP 910 -7.266 2.730 6.020 581 2HB TRP 910 2HB TRP 910 -8.651 1.808 5.420 582 HD1 TRP 910 HD TRP 910 -5.977 1.327 7.651 583 HE1 TRP 910 1HE TRP 910 -5.200 -1.089 7.858 584 HE3 TRP 910 3HE TRP 910 -8.117 -0.574 3.408 585 HZ2 TRP 910 2HZ TRP 910 -5.469 -3.557 6.369 586 HZ3 TRP 910 3HZ TRP 910 -7.835 -2.958 2.837 587 HH2 TRP 910 HH TRP 910 -6.517 -4.459 4.303 588 H ALA 911 H ALA 911 -6.423 4.398 5.200 589 HA ALA 911 HA ALA 911 -8.359 6.290 4.625 590 1HB ALA 911 1HB ALA 911 -6.664 6.768 6.243 591 2HB ALA 911 2HB ALA 911 -5.364 6.559 5.045 592 3HB ALA 911 3HB ALA 911 -6.455 7.961 4.938 593 H CYS 912 H CYS 912 -5.621 5.215 2.622 594 HA CYS 912 HA CYS 912 -5.953 7.275 0.628 595 1HB CYS 912 1HB CYS 912 -4.522 4.592 0.665 596 2HB CYS 912 2HB CYS 912 -4.466 5.720 -0.712 597 HG CYS 912 HG CYS 912 -2.534 6.774 0.129 598 H ILE 913 H ILE 913 -6.284 3.722 0.161 599 HA ILE 913 HA ILE 913 -7.804 3.730 -2.113 600 HB ILE 913 HB ILE 913 -7.000 1.675 -1.121 601 1HG1 ILE 913 1HG1 ILE 913 -10.029 1.556 -0.927 602 2HG1 ILE 913 2HG1 ILE 913 -9.186 1.730 -2.485 603 1HG2 ILE 913 1HG2 ILE 913 -8.119 2.812 1.253 604 2HG2 ILE 913 2HG2 ILE 913 -8.947 1.263 0.964 605 3HG2 ILE 913 3HG2 ILE 913 -7.172 1.312 1.096 606 1HD1 ILE 913 1HD1 ILE 913 -8.180 -0.406 -0.652 607 2HD1 ILE 913 2HD1 ILE 913 -9.775 -0.680 -1.394 608 3HD1 ILE 913 3HD1 ILE 913 -8.348 -0.410 -2.424 609 H ARG 914 H ARG 914 -8.832 4.580 1.156 610 HA ARG 914 HA ARG 914 -11.665 4.506 0.542 611 1HB ARG 914 1HB ARG 914 -10.424 4.306 2.839 612 2HB ARG 914 2HB ARG 914 -10.418 6.085 2.793 613 1HG ARG 914 1HG ARG 914 -12.959 5.839 2.218 614 2HG ARG 914 2HG ARG 914 -12.778 4.191 2.865 615 1HD ARG 914 1HD ARG 914 -12.530 4.921 5.010 616 2HD ARG 914 2HD ARG 914 -11.562 6.330 4.524 617 HE ARG 914 HE ARG 914 -14.368 6.545 3.782 618 1HH1 ARG 914 2HH2 ARG 914 -11.967 7.008 6.336 619 2HH1 ARG 914 1HH2 ARG 914 -12.893 8.234 7.173 620 1HH2 ARG 914 2HH1 ARG 914 -15.591 8.164 4.889 621 2HH2 ARG 914 1HH1 ARG 914 -14.959 8.892 6.348 622 H LYS 915 H LYS 915 -9.070 6.960 0.620 623 HA LYS 915 HA LYS 915 -10.932 9.130 0.045 624 1HB LYS 915 1HB LYS 915 -7.902 8.922 0.164 625 2HB LYS 915 2HB LYS 915 -8.775 10.431 -0.194 626 1HG LYS 915 1HG LYS 915 -9.422 8.776 2.264 627 2HG LYS 915 2HG LYS 915 -8.113 9.982 2.275 628 1HD LYS 915 1HD LYS 915 -9.631 11.767 1.753 629 2HD LYS 915 2HD LYS 915 -10.941 10.628 1.362 630 1HE LYS 915 1HE LYS 915 -11.394 11.488 3.563 631 2HE LYS 915 2HE LYS 915 -10.818 9.819 3.764 632 1HZ LYS 915 1HZ LYS 915 -9.421 12.314 4.318 633 2HZ LYS 915 2HZ LYS 915 -9.632 10.998 5.290 634 3HZ LYS 915 3HZ LYS 915 -8.572 10.930 4.029 635 H ARG 916 H ARG 916 -9.564 6.616 -1.741 636 HA ARG 916 HA ARG 916 -9.469 6.198 -3.990 637 1HB ARG 916 1HB ARG 916 -11.254 8.628 -3.892 638 2HB ARG 916 2HB ARG 916 -10.706 7.988 -5.460 639 1HG ARG 916 1HG ARG 916 -12.845 6.957 -4.867 640 2HG ARG 916 2HG ARG 916 -11.558 5.730 -4.787 641 1HD ARG 916 1HD ARG 916 -13.026 5.568 -2.819 642 2HD ARG 916 2HD ARG 916 -11.392 6.074 -2.340 643 HE ARG 916 HE ARG 916 -12.249 8.099 -1.622 644 1HH1 ARG 916 2HH2 ARG 916 -14.577 6.454 -3.713 645 2HH1 ARG 916 1HH2 ARG 916 -15.866 7.597 -3.407 646 1HH2 ARG 916 2HH1 ARG 916 -13.952 9.608 -1.218 647 2HH2 ARG 916 1HH1 ARG 916 -15.509 9.395 -1.985 648 H ARG 917 H ARG 917 -7.909 8.646 -2.430 649 HA ARG 917 HA ARG 917 -6.090 9.039 -4.718 650 1HB ARG 917 1HB ARG 917 -6.176 11.571 -3.597 651 2HB ARG 917 2HB ARG 917 -6.960 11.086 -5.119 652 1HG ARG 917 1HG ARG 917 -8.409 10.510 -2.554 653 2HG ARG 917 2HG ARG 917 -8.350 12.199 -3.113 654 1HD ARG 917 1HD ARG 917 -9.041 11.197 -5.429 655 2HD ARG 917 2HD ARG 917 -9.541 9.780 -4.481 656 HE ARG 917 HE ARG 917 -10.751 11.811 -3.137 657 1HH1 ARG 917 2HH2 ARG 917 -10.574 10.948 -6.561 658 2HH1 ARG 917 1HH2 ARG 917 -12.146 11.610 -6.949 659 1HH2 ARG 917 2HH1 ARG 917 -12.827 12.686 -3.650 660 2HH2 ARG 917 1HH1 ARG 917 -13.430 12.601 -5.290 661 H LEU 918 H LEU 918 -4.108 8.547 -4.003 662 HA LEU 918 HA LEU 918 -3.292 7.800 -1.553 663 1HB LEU 918 1HB LEU 918 -1.869 9.405 -3.681 664 2HB LEU 918 2HB LEU 918 -1.032 8.946 -2.178 665 HG LEU 918 HG LEU 918 -0.594 6.974 -3.208 666 1HD1 LEU 918 1HD1 LEU 918 -2.458 5.320 -3.180 667 2HD1 LEU 918 2HD1 LEU 918 -2.391 6.276 -1.681 668 3HD1 LEU 918 3HD1 LEU 918 -3.612 6.650 -2.920 669 1HD2 LEU 918 1HD2 LEU 918 -1.042 7.831 -5.414 670 2HD2 LEU 918 2HD2 LEU 918 -1.881 6.266 -5.290 671 3HD2 LEU 918 3HD2 LEU 918 -2.800 7.783 -5.141 672 H VAL 919 H VAL 919 -3.189 8.616 0.455 673 HA VAL 919 HA VAL 919 -3.561 11.544 0.761 674 HB VAL 919 HB VAL 919 -4.714 11.082 2.682 675 1HG1 VAL 919 1HG1 VAL 919 -6.247 9.570 1.991 676 2HG1 VAL 919 2HG1 VAL 919 -5.155 9.212 0.631 677 3HG1 VAL 919 3HG1 VAL 919 -5.077 8.234 2.116 678 1HG2 VAL 919 1HG2 VAL 919 -2.452 9.245 3.087 679 2HG2 VAL 919 2HG2 VAL 919 -3.385 10.179 4.281 680 3HG2 VAL 919 3HG2 VAL 919 -3.985 8.600 3.721 681 H ALA 920 H ALA 920 -2.589 11.702 3.429 682 HA ALA 920 HA ALA 920 0.215 12.070 2.886 683 1HB ALA 920 1HB ALA 920 -0.482 13.631 4.411 684 2HB ALA 920 2HB ALA 920 -1.688 12.541 5.136 685 3HB ALA 920 3HB ALA 920 0.032 12.376 5.564 686 HA PRO 921 HA PRO 921 1.213 7.824 3.906 687 1HB PRO 921 1HB PRO 921 3.808 7.917 3.081 688 2HB PRO 921 2HB PRO 921 2.444 7.932 1.916 689 1HG PRO 921 1HG PRO 921 3.951 10.323 3.012 690 2HG PRO 921 2HG PRO 921 3.633 9.934 1.290 691 1HD PRO 921 1HD PRO 921 2.030 11.645 2.681 692 2HD PRO 921 2HD PRO 921 1.322 10.474 1.527 693 H CYS 922 H CYS 922 1.777 7.100 5.889 694 HA CYS 922 HA CYS 922 3.175 6.899 7.767 695 1HB CYS 922 1HB CYS 922 4.976 8.181 6.667 696 2HB CYS 922 2HB CYS 922 4.121 9.701 7.034 697 HG CYS 922 HG CYS 922 6.135 9.395 8.675
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