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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 | cing | in_recoord | stage | position | program | type |
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6427 |
1iyy ![]() ![]() |
cing | recoord | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ALA 1 1HT ALA 1 2.523 10.821 17.430 2 2H ALA 1 2HT ALA 1 3.898 9.789 17.423 3 3H ALA 1 3HT ALA 1 2.697 9.606 18.630 4 HA ALA 1 HA ALA 1 2.512 7.887 16.984 5 1HB ALA 1 1HB ALA 1 0.223 9.831 16.597 6 2HB ALA 1 2HB ALA 1 0.502 9.005 18.128 7 3HB ALA 1 3HB ALA 1 0.172 8.067 16.678 8 H CYS 2 H CYS 2 0.836 8.135 14.725 9 HA CYS 2 HA CYS 2 1.236 8.184 12.467 10 1HB CYS 2 2HB CYS 2 1.119 10.434 11.557 11 2HB CYS 2 1HB CYS 2 0.050 10.327 12.946 12 H ASP 3 H ASP 3 3.113 7.043 12.075 13 HA ASP 3 HA ASP 3 5.661 8.590 12.149 14 1HB ASP 3 2HB ASP 3 5.320 6.229 13.256 15 2HB ASP 3 1HB ASP 3 5.473 5.612 11.607 16 H TYR 4 H TYR 4 3.228 7.876 9.993 17 HA TYR 4 HA TYR 4 5.140 7.796 7.693 18 1HB TYR 4 2HB TYR 4 2.324 6.698 8.043 19 2HB TYR 4 1HB TYR 4 3.050 6.916 6.442 20 HD1 TYR 4 1HD TYR 4 2.401 4.456 8.679 21 HD2 TYR 4 2HD TYR 4 5.747 6.144 6.580 22 HE1 TYR 4 1HE TYR 4 3.619 2.308 8.893 23 HE2 TYR 4 2HE TYR 4 6.968 4.000 6.795 24 HH TYR 4 HH TYR 4 5.760 1.211 7.291 25 H THR 5 H THR 5 5.116 10.214 8.375 26 HA THR 5 HA THR 5 2.736 11.645 7.431 27 HB THR 5 HB THR 5 4.049 12.474 9.390 28 HG1 THR 5 1HG THR 5 3.766 14.561 8.787 29 1HG2 THR 5 1HG2 THR 5 6.229 12.969 9.299 30 2HG2 THR 5 2HG2 THR 5 6.137 13.618 7.673 31 3HG2 THR 5 3HG2 THR 5 6.273 11.877 7.924 32 H CYS 6 H CYS 6 2.638 11.194 5.189 33 HA CYS 6 HA CYS 6 5.013 12.070 3.580 34 1HB CYS 6 2HB CYS 6 2.593 10.635 2.484 35 2HB CYS 6 1HB CYS 6 4.247 10.676 1.851 36 H GLY 7 H GLY 7 4.611 13.476 1.738 37 1HA GLY 7 2HA GLY 7 3.734 15.492 0.906 38 2HA GLY 7 1HA GLY 7 2.198 14.626 0.952 39 H SER 8 H SER 8 4.062 15.286 3.884 40 HA SER 8 HA SER 8 3.621 16.674 5.679 41 1HB SER 8 2HB SER 8 1.656 18.202 3.927 42 2HB SER 8 1HB SER 8 2.582 18.776 5.308 43 HG SER 8 HG SER 8 3.369 18.498 2.686 44 H ASN 9 H ASN 9 2.217 14.248 5.450 45 HA ASN 9 HA ASN 9 -0.352 14.998 6.795 46 1HB ASN 9 2HB ASN 9 -0.013 12.873 4.641 47 2HB ASN 9 1HB ASN 9 -1.479 13.133 5.597 48 1HD2 ASN 9 1HD2 ASN 9 -1.472 13.403 2.760 49 2HD2 ASN 9 2HD2 ASN 9 -1.753 15.071 2.405 50 H CYS 10 H CYS 10 0.766 14.517 8.759 51 HA CYS 10 HA CYS 10 2.145 12.133 9.340 52 1HB CYS 10 2HB CYS 10 1.435 14.357 10.775 53 2HB CYS 10 1HB CYS 10 0.418 13.134 11.530 54 H TYR 11 H TYR 11 1.103 10.392 8.262 55 HA TYR 11 HA TYR 11 -1.670 9.739 8.977 56 1HB TYR 11 2HB TYR 11 0.392 8.696 7.116 57 2HB TYR 11 1HB TYR 11 -0.633 7.445 7.808 58 HD1 TYR 11 1HD TYR 11 -2.504 6.912 6.590 59 HD2 TYR 11 2HD TYR 11 -1.040 10.937 6.480 60 HE1 TYR 11 1HE TYR 11 -4.284 7.528 5.006 61 HE2 TYR 11 2HE TYR 11 -2.834 11.564 4.899 62 HH TYR 11 HH TYR 11 -4.352 9.918 3.071 63 H SER 12 H SER 12 -2.314 8.064 10.376 64 HA SER 12 HA SER 12 -0.407 7.434 12.492 65 1HB SER 12 2HB SER 12 -3.250 7.480 12.232 66 2HB SER 12 1HB SER 12 -2.779 5.870 12.757 67 HG SER 12 HG SER 12 -2.312 8.325 14.020 68 H SER 13 H SER 13 0.959 5.723 12.448 69 HA SER 13 HA SER 13 1.012 3.814 10.342 70 1HB SER 13 2HB SER 13 2.592 2.561 11.767 71 2HB SER 13 1HB SER 13 2.949 4.292 11.818 72 HG SER 13 HG SER 13 2.919 3.514 13.922 73 H SER 14 H SER 14 -0.765 3.941 13.351 74 HA SER 14 HA SER 14 -1.531 1.131 13.312 75 1HB SER 14 2HB SER 14 -3.046 1.798 15.153 76 2HB SER 14 1HB SER 14 -1.424 2.449 15.417 77 HG SER 14 HG SER 14 -3.157 4.001 15.708 78 H ASP 15 H ASP 15 -2.767 4.146 12.022 79 HA ASP 15 HA ASP 15 -5.379 3.038 11.377 80 1HB ASP 15 2HB ASP 15 -4.250 5.643 11.469 81 2HB ASP 15 1HB ASP 15 -4.687 5.397 9.793 82 H VAL 16 H VAL 16 -2.239 3.327 9.903 83 HA VAL 16 HA VAL 16 -3.040 2.872 7.183 84 HB VAL 16 HB VAL 16 -0.417 2.017 8.453 85 1HG1 VAL 16 1HG1 VAL 16 0.438 2.522 6.172 86 2HG1 VAL 16 2HG1 VAL 16 -1.201 2.879 5.646 87 3HG1 VAL 16 3HG1 VAL 16 -0.776 1.249 6.149 88 1HG2 VAL 16 1HG2 VAL 16 -1.511 4.739 7.828 89 2HG2 VAL 16 2HG2 VAL 16 0.185 4.422 7.458 90 3HG2 VAL 16 3HG2 VAL 16 -0.408 4.209 9.074 91 H SER 17 H SER 17 -2.487 0.801 9.967 92 HA SER 17 HA SER 17 -2.297 -1.691 8.594 93 1HB SER 17 2HB SER 17 -1.915 -1.069 11.116 94 2HB SER 17 1HB SER 17 -3.626 -1.476 11.287 95 HG SER 17 HG SER 17 -3.201 -3.535 10.662 96 H THR 18 H THR 18 -5.090 0.062 9.985 97 HA THR 18 HA THR 18 -7.068 -1.865 9.324 98 HB THR 18 HB THR 18 -8.376 0.582 8.978 99 HG1 THR 18 1HG THR 18 -7.324 2.070 10.191 100 1HG2 THR 18 1HG2 THR 18 -8.970 0.354 11.336 101 2HG2 THR 18 2HG2 THR 18 -7.641 -0.778 11.583 102 3HG2 THR 18 3HG2 THR 18 -8.995 -1.218 10.538 103 H ALA 19 H ALA 19 -5.956 0.970 7.454 104 HA ALA 19 HA ALA 19 -7.500 0.315 5.108 105 1HB ALA 19 1HB ALA 19 -6.155 1.970 3.983 106 2HB ALA 19 2HB ALA 19 -4.886 1.842 5.202 107 3HB ALA 19 3HB ALA 19 -6.442 2.557 5.623 108 H GLN 20 H GLN 20 -4.596 -0.935 6.491 109 HA GLN 20 HA GLN 20 -3.433 -1.971 4.106 110 1HB GLN 20 2HB GLN 20 -2.615 -1.761 6.728 111 2HB GLN 20 1HB GLN 20 -2.913 -3.480 6.639 112 1HG GLN 20 2HG GLN 20 -0.919 -1.796 5.161 113 2HG GLN 20 1HG GLN 20 -0.730 -3.362 5.965 114 1HE2 GLN 20 1HE2 GLN 20 -2.331 -5.091 4.890 115 2HE2 GLN 20 2HE2 GLN 20 -2.332 -5.093 3.183 116 H ALA 21 H ALA 21 -5.756 -3.168 6.491 117 HA ALA 21 HA ALA 21 -5.923 -5.821 5.254 118 1HB ALA 21 1HB ALA 21 -6.325 -5.555 7.656 119 2HB ALA 21 2HB ALA 21 -7.767 -6.175 6.854 120 3HB ALA 21 3HB ALA 21 -7.680 -4.475 7.324 121 H ALA 22 H ALA 22 -6.960 -2.782 4.350 122 HA ALA 22 HA ALA 22 -9.625 -3.460 3.416 123 1HB ALA 22 1HB ALA 22 -8.811 -1.137 4.089 124 2HB ALA 22 2HB ALA 22 -9.685 -1.246 2.571 125 3HB ALA 22 3HB ALA 22 -7.932 -1.094 2.562 126 H GLY 23 H GLY 23 -6.501 -2.666 1.809 127 1HA GLY 23 2HA GLY 23 -7.432 -3.590 -0.794 128 2HA GLY 23 1HA GLY 23 -5.774 -3.238 -0.351 129 H TYR 24 H TYR 24 -6.160 -5.101 2.046 130 HA TYR 24 HA TYR 24 -5.121 -7.456 0.677 131 1HB TYR 24 2HB TYR 24 -4.118 -6.875 2.794 132 2HB TYR 24 1HB TYR 24 -5.700 -6.817 3.578 133 HD1 TYR 24 1HD TYR 24 -4.149 -9.306 1.246 134 HD2 TYR 24 2HD TYR 24 -5.819 -8.551 5.132 135 HE1 TYR 24 1HE TYR 24 -3.959 -11.713 1.792 136 HE2 TYR 24 2HE TYR 24 -5.627 -10.961 5.683 137 HH TYR 24 HH TYR 24 -3.916 -12.978 4.653 138 H GLN 25 H GLN 25 -7.842 -6.974 2.979 139 HA GLN 25 HA GLN 25 -9.090 -9.413 2.769 140 1HB GLN 25 2HB GLN 25 -9.854 -6.941 3.746 141 2HB GLN 25 1HB GLN 25 -11.014 -7.162 2.453 142 1HG GLN 25 2HG GLN 25 -12.146 -8.266 4.073 143 2HG GLN 25 1HG GLN 25 -11.149 -9.628 3.542 144 1HE2 GLN 25 1HE2 GLN 25 -10.179 -10.662 5.263 145 2HE2 GLN 25 2HE2 GLN 25 -9.697 -9.887 6.729 146 H LEU 26 H LEU 26 -9.104 -6.849 0.325 147 HA LEU 26 HA LEU 26 -10.991 -8.229 -1.397 148 1HB LEU 26 2HB LEU 26 -9.673 -5.672 -1.319 149 2HB LEU 26 1HB LEU 26 -9.254 -6.409 -2.862 150 HG LEU 26 HG LEU 26 -11.371 -5.044 -2.877 151 1HD1 LEU 26 1HD1 LEU 26 -12.588 -6.602 -4.222 152 2HD1 LEU 26 2HD1 LEU 26 -11.759 -7.980 -3.488 153 3HD1 LEU 26 3HD1 LEU 26 -10.874 -6.864 -4.520 154 1HD2 LEU 26 1HD2 LEU 26 -13.249 -5.659 -1.699 155 2HD2 LEU 26 2HD2 LEU 26 -11.995 -6.036 -0.526 156 3HD2 LEU 26 3HD2 LEU 26 -12.727 -7.325 -1.485 157 H HIS 27 H HIS 27 -7.456 -7.835 -1.414 158 HA HIS 27 HA HIS 27 -6.951 -9.274 -3.774 159 1HB HIS 27 2HB HIS 27 -5.197 -8.036 -2.550 160 2HB HIS 27 1HB HIS 27 -5.251 -9.231 -1.247 161 HD1 HIS 27 1HD HIS 27 -5.391 -10.025 -4.953 162 HD2 HIS 27 2HD HIS 27 -2.796 -10.469 -1.717 163 HE1 HIS 27 1HE HIS 27 -3.512 -11.503 -5.749 164 HE2 HIS 27 2HE HIS 27 -2.162 -12.045 -3.686 165 H GLU 28 H GLU 28 -7.505 -10.512 -0.488 166 HA GLU 28 HA GLU 28 -6.955 -13.274 -1.351 167 1HB GLU 28 2HB GLU 28 -6.560 -12.201 1.008 168 2HB GLU 28 1HB GLU 28 -8.282 -12.515 1.264 169 1HG GLU 28 2HG GLU 28 -7.370 -14.917 0.182 170 2HG GLU 28 1HG GLU 28 -6.008 -14.374 1.176 171 H ASP 29 H ASP 29 -9.740 -11.182 -0.787 172 HA ASP 29 HA ASP 29 -11.697 -13.296 -0.810 173 1HB ASP 29 2HB ASP 29 -11.708 -10.324 -0.944 174 2HB ASP 29 1HB ASP 29 -13.050 -11.086 -1.774 175 H GLY 30 H GLY 30 -9.834 -11.757 -3.312 176 1HA GLY 30 2HA GLY 30 -9.660 -12.502 -5.538 177 2HA GLY 30 1HA GLY 30 -11.087 -13.514 -5.318 178 H GLU 31 H GLU 31 -12.379 -10.939 -4.082 179 HA GLU 31 HA GLU 31 -13.797 -10.163 -6.408 180 1HB GLU 31 2HB GLU 31 -14.211 -9.860 -3.736 181 2HB GLU 31 1HB GLU 31 -13.665 -8.256 -4.102 182 1HG GLU 31 2HG GLU 31 -15.912 -8.031 -4.473 183 2HG GLU 31 1HG GLU 31 -15.351 -8.387 -6.111 184 H THR 32 H THR 32 -13.743 -7.237 -6.030 185 HA THR 32 HA THR 32 -11.035 -6.343 -6.467 186 HB THR 32 HB THR 32 -12.565 -5.638 -8.878 187 HG1 THR 32 1HG THR 32 -13.495 -7.620 -8.833 188 1HG2 THR 32 1HG2 THR 32 -10.528 -5.912 -9.883 189 2HG2 THR 32 2HG2 THR 32 -10.096 -7.306 -8.895 190 3HG2 THR 32 3HG2 THR 32 -9.999 -5.686 -8.220 191 H VAL 33 H VAL 33 -11.178 -3.931 -7.294 192 HA VAL 33 HA VAL 33 -13.635 -2.653 -6.125 193 HB VAL 33 HB VAL 33 -12.226 -0.975 -5.062 194 1HG1 VAL 33 1HG1 VAL 33 -11.163 -2.365 -3.365 195 2HG1 VAL 33 2HG1 VAL 33 -11.160 -3.752 -4.453 196 3HG1 VAL 33 3HG1 VAL 33 -12.687 -3.113 -3.839 197 1HG2 VAL 33 1HG2 VAL 33 -9.777 -1.182 -5.124 198 2HG2 VAL 33 2HG2 VAL 33 -10.402 -0.951 -6.735 199 3HG2 VAL 33 3HG2 VAL 33 -9.897 -2.557 -6.208 200 H GLY 34 H GLY 34 -14.036 -0.482 -6.986 201 1HA GLY 34 2HA GLY 34 -14.257 0.974 -8.805 202 2HA GLY 34 1HA GLY 34 -12.517 0.772 -9.014 203 H SER 35 H SER 35 -11.770 -0.856 -10.452 204 HA SER 35 HA SER 35 -13.283 -2.816 -11.766 205 1HB SER 35 2HB SER 35 -13.501 -1.375 -14.048 206 2HB SER 35 1HB SER 35 -14.773 -1.403 -12.837 207 HG SER 35 HG SER 35 -12.841 0.588 -13.318 208 H ASN 36 H ASN 36 -10.530 -2.138 -10.938 209 HA ASN 36 HA ASN 36 -9.167 -3.069 -13.376 210 1HB ASN 36 2HB ASN 36 -8.949 -0.315 -12.278 211 2HB ASN 36 1HB ASN 36 -7.396 -1.094 -12.569 212 1HD2 ASN 36 1HD2 ASN 36 -10.448 -0.207 -14.175 213 2HD2 ASN 36 2HD2 ASN 36 -9.761 -0.215 -15.755 214 H SER 37 H SER 37 -9.779 -4.003 -10.538 215 HA SER 37 HA SER 37 -8.617 -4.985 -8.768 216 1HB SER 37 2HB SER 37 -7.866 -6.195 -11.028 217 2HB SER 37 1HB SER 37 -6.297 -5.526 -10.586 218 HG SER 37 HG SER 37 -6.569 -7.561 -9.641 219 H TYR 38 H TYR 38 -8.198 -3.168 -7.480 220 HA TYR 38 HA TYR 38 -5.853 -1.536 -8.061 221 1HB TYR 38 2HB TYR 38 -8.127 -1.092 -6.619 222 2HB TYR 38 1HB TYR 38 -6.974 -1.347 -5.310 223 HD1 TYR 38 1HD TYR 38 -4.867 -0.004 -5.261 224 HD2 TYR 38 2HD TYR 38 -8.049 0.826 -8.002 225 HE1 TYR 38 1HE TYR 38 -3.966 2.261 -5.633 226 HE2 TYR 38 2HE TYR 38 -7.138 3.103 -8.386 227 HH TYR 38 HH TYR 38 -4.537 4.125 -8.122 228 HA PRO 39 HA PRO 39 -4.025 -3.853 -4.349 229 1HB PRO 39 2HB PRO 39 -5.237 -6.157 -3.554 230 2HB PRO 39 1HB PRO 39 -5.566 -4.570 -2.866 231 1HG PRO 39 2HG PRO 39 -7.242 -6.176 -4.755 232 2HG PRO 39 1HG PRO 39 -7.748 -4.977 -3.553 233 1HD PRO 39 2HD PRO 39 -7.512 -4.576 -6.320 234 2HD PRO 39 1HD PRO 39 -7.710 -3.299 -5.110 235 H HIS 40 H HIS 40 -2.379 -4.457 -5.562 236 HA HIS 40 HA HIS 40 -2.518 -7.039 -7.080 237 1HB HIS 40 2HB HIS 40 -0.563 -5.640 -8.462 238 2HB HIS 40 1HB HIS 40 -2.260 -5.728 -8.940 239 HD1 HIS 40 1HD HIS 40 -0.750 -3.749 -6.116 240 HD2 HIS 40 2HD HIS 40 -2.725 -3.099 -9.714 241 HE1 HIS 40 1HE HIS 40 -1.506 -1.337 -6.086 242 HE2 HIS 40 2HE HIS 40 -2.847 -0.991 -8.182 243 H LYS 41 H LYS 41 0.049 -7.516 -7.690 244 HA LYS 41 HA LYS 41 1.338 -7.565 -5.021 245 1HB LYS 41 2HB LYS 41 1.649 -9.731 -5.426 246 2HB LYS 41 1HB LYS 41 0.907 -9.583 -7.011 247 1HG LYS 41 2HG LYS 41 3.814 -8.834 -6.546 248 2HG LYS 41 1HG LYS 41 3.325 -10.491 -6.783 249 1HD LYS 41 2HD LYS 41 2.326 -8.417 -8.731 250 2HD LYS 41 1HD LYS 41 3.983 -9.013 -8.866 251 1HE LYS 41 2HE LYS 41 1.455 -10.681 -8.868 252 2HE LYS 41 1HE LYS 41 2.488 -10.336 -10.261 253 1HZ LYS 41 1HZ LYS 41 3.361 -12.317 -9.646 254 2HZ LYS 41 2HZ LYS 41 2.948 -12.152 -8.020 255 3HZ LYS 41 3HZ LYS 41 4.311 -11.352 -8.633 256 H TYR 42 H TYR 42 3.230 -6.486 -4.696 257 HA TYR 42 HA TYR 42 4.377 -5.060 -7.010 258 1HB TYR 42 2HB TYR 42 3.830 -3.763 -4.985 259 2HB TYR 42 1HB TYR 42 4.908 -4.740 -4.028 260 HD1 TYR 42 1HD TYR 42 6.538 -3.153 -3.379 261 HD2 TYR 42 2HD TYR 42 5.437 -3.516 -7.519 262 HE1 TYR 42 1HE TYR 42 8.423 -1.679 -4.022 263 HE2 TYR 42 2HE TYR 42 7.326 -2.076 -8.154 264 HH TYR 42 HH TYR 42 9.740 -1.483 -6.916 265 H ASN 43 H ASN 43 6.479 -5.487 -7.735 266 HA ASN 43 HA ASN 43 7.751 -7.915 -6.625 267 1HB ASN 43 2HB ASN 43 7.446 -7.127 -9.185 268 2HB ASN 43 1HB ASN 43 9.014 -6.373 -8.877 269 1HD2 ASN 43 1HD2 ASN 43 10.405 -8.127 -7.370 270 2HD2 ASN 43 2HD2 ASN 43 10.469 -9.669 -8.125 271 H ASN 44 H ASN 44 8.356 -4.441 -6.839 272 HA ASN 44 HA ASN 44 9.802 -3.157 -5.536 273 1HB ASN 44 2HB ASN 44 9.452 -5.161 -3.864 274 2HB ASN 44 1HB ASN 44 11.087 -5.610 -4.373 275 1HD2 ASN 44 1HD2 ASN 44 12.585 -4.804 -2.962 276 2HD2 ASN 44 2HD2 ASN 44 12.450 -3.302 -2.143 277 H TYR 45 H TYR 45 11.691 -2.249 -6.181 278 HA TYR 45 HA TYR 45 13.882 -3.871 -7.188 279 1HB TYR 45 2HB TYR 45 11.952 -2.508 -9.032 280 2HB TYR 45 1HB TYR 45 13.660 -2.267 -9.424 281 HD1 TYR 45 1HD TYR 45 14.866 -4.825 -8.538 282 HD2 TYR 45 2HD TYR 45 11.226 -4.024 -10.684 283 HE1 TYR 45 1HE TYR 45 14.982 -7.065 -9.559 284 HE2 TYR 45 2HE TYR 45 11.351 -6.274 -11.720 285 HH TYR 45 HH TYR 45 13.817 -8.033 -12.056 286 H GLU 46 H GLU 46 12.466 -0.665 -6.826 287 HA GLU 46 HA GLU 46 14.500 1.055 -7.229 288 1HB GLU 46 2HB GLU 46 12.138 1.102 -5.803 289 2HB GLU 46 1HB GLU 46 13.287 1.405 -4.521 290 1HG GLU 46 2HG GLU 46 13.797 2.915 -7.021 291 2HG GLU 46 1HG GLU 46 12.269 3.266 -6.213 292 H GLY 47 H GLY 47 14.103 -0.213 -3.902 293 1HA GLY 47 2HA GLY 47 16.426 -1.489 -3.378 294 2HA GLY 47 1HA GLY 47 16.982 0.187 -3.406 295 H PHE 48 H PHE 48 14.244 -1.668 -2.030 296 HA PHE 48 HA PHE 48 14.218 0.164 0.308 297 1HB PHE 48 2HB PHE 48 12.451 -2.241 -0.299 298 2HB PHE 48 1HB PHE 48 12.180 -1.028 0.953 299 HD1 PHE 48 1HD PHE 48 12.443 -1.478 -2.734 300 HD2 PHE 48 2HD PHE 48 11.081 0.982 0.485 301 HE1 PHE 48 1HE PHE 48 11.198 -0.093 -4.340 302 HE2 PHE 48 2HE PHE 48 9.836 2.390 -1.118 303 HZ PHE 48 HZ PHE 48 9.901 1.833 -3.529 304 H ASP 49 H ASP 49 13.492 -1.491 2.345 305 HA ASP 49 HA ASP 49 15.475 -3.694 2.492 306 1HB ASP 49 2HB ASP 49 16.341 -2.853 4.646 307 2HB ASP 49 1HB ASP 49 16.629 -1.664 3.367 308 H PHE 50 H PHE 50 12.499 -3.359 2.385 309 HA PHE 50 HA PHE 50 11.176 -3.664 4.810 310 1HB PHE 50 2HB PHE 50 10.766 -5.290 2.275 311 2HB PHE 50 1HB PHE 50 9.567 -5.117 3.582 312 HD1 PHE 50 1HD PHE 50 8.952 -4.369 0.769 313 HD2 PHE 50 2HD PHE 50 10.670 -2.048 3.929 314 HE1 PHE 50 1HE PHE 50 8.085 -2.327 -0.286 315 HE2 PHE 50 2HE PHE 50 9.820 0.000 2.879 316 HZ PHE 50 HZ PHE 50 8.523 -0.127 0.768 317 H SER 51 H SER 51 10.259 -5.840 5.654 318 HA SER 51 HA SER 51 12.274 -8.027 5.561 319 1HB SER 51 2HB SER 51 11.609 -6.348 7.975 320 2HB SER 51 1HB SER 51 12.017 -8.053 8.196 321 HG SER 51 HG SER 51 13.857 -6.670 8.277 322 H VAL 52 H VAL 52 9.469 -7.640 4.645 323 HA VAL 52 HA VAL 52 7.967 -9.412 6.512 324 HB VAL 52 HB VAL 52 7.113 -7.899 4.033 325 1HG1 VAL 52 1HG1 VAL 52 4.845 -8.590 5.370 326 2HG1 VAL 52 2HG1 VAL 52 5.817 -10.019 5.668 327 3HG1 VAL 52 3HG1 VAL 52 5.503 -9.497 4.013 328 1HG2 VAL 52 1HG2 VAL 52 6.573 -7.452 6.975 329 2HG2 VAL 52 2HG2 VAL 52 5.838 -6.554 5.651 330 3HG2 VAL 52 3HG2 VAL 52 7.571 -6.439 5.927 331 H SER 53 H SER 53 7.461 -9.454 3.006 332 HA SER 53 HA SER 53 8.773 -12.106 2.820 333 1HB SER 53 2HB SER 53 5.846 -11.554 2.221 334 2HB SER 53 1HB SER 53 6.695 -13.024 1.744 335 HG SER 53 HG SER 53 6.041 -12.144 4.323 336 H SER 54 H SER 54 8.156 -12.854 0.348 337 HA SER 54 HA SER 54 9.435 -10.797 -1.304 338 1HB SER 54 2HB SER 54 8.411 -13.274 -2.608 339 2HB SER 54 1HB SER 54 9.981 -12.493 -2.682 340 HG SER 54 HG SER 54 10.074 -14.470 -1.545 341 HA PRO 55 HA PRO 55 5.337 -11.196 -3.743 342 1HB PRO 55 2HB PRO 55 3.246 -12.480 -2.517 343 2HB PRO 55 1HB PRO 55 4.431 -13.273 -3.550 344 1HG PRO 55 2HG PRO 55 4.195 -13.352 -0.568 345 2HG PRO 55 1HG PRO 55 4.854 -14.573 -1.672 346 1HD PRO 55 2HD PRO 55 6.304 -12.763 -0.120 347 2HD PRO 55 1HD PRO 55 6.964 -13.754 -1.411 348 H TYR 56 H TYR 56 5.618 -8.993 -3.025 349 HA TYR 56 HA TYR 56 4.086 -8.021 -0.751 350 1HB TYR 56 2HB TYR 56 5.731 -6.766 -2.941 351 2HB TYR 56 1HB TYR 56 4.749 -5.732 -1.929 352 HD1 TYR 56 1HD TYR 56 4.916 -7.054 0.694 353 HD2 TYR 56 2HD TYR 56 7.932 -6.333 -2.276 354 HE1 TYR 56 1HE TYR 56 6.632 -7.079 2.441 355 HE2 TYR 56 2HE TYR 56 9.668 -6.352 -0.507 356 HH TYR 56 HH TYR 56 9.468 -7.641 2.279 357 H TYR 57 H TYR 57 2.733 -5.881 -1.378 358 HA TYR 57 HA TYR 57 1.168 -6.176 -3.793 359 1HB TYR 57 2HB TYR 57 -0.055 -6.654 -1.084 360 2HB TYR 57 1HB TYR 57 -1.019 -6.455 -2.560 361 HD1 TYR 57 1HD TYR 57 -0.997 -8.214 -4.285 362 HD2 TYR 57 2HD TYR 57 1.210 -8.633 -0.668 363 HE1 TYR 57 1HE TYR 57 -0.654 -10.595 -4.801 364 HE2 TYR 57 2HE TYR 57 1.514 -11.057 -1.127 365 HH TYR 57 HH TYR 57 -0.158 -12.810 -3.002 366 H GLU 58 H GLU 58 -0.187 -4.286 -4.179 367 HA GLU 58 HA GLU 58 0.519 -2.032 -2.326 368 1HB GLU 58 2HB GLU 58 0.098 -1.940 -5.299 369 2HB GLU 58 1HB GLU 58 0.504 -0.567 -4.297 370 1HG GLU 58 2HG GLU 58 2.654 -1.368 -3.884 371 2HG GLU 58 1HG GLU 58 2.242 -3.021 -4.336 372 H TRP 59 H TRP 59 -1.039 -0.616 -1.761 373 HA TRP 59 HA TRP 59 -3.660 -0.564 -3.011 374 1HB TRP 59 2HB TRP 59 -4.152 -2.457 -1.662 375 2HB TRP 59 1HB TRP 59 -3.236 -1.824 -0.288 376 HD1 TRP 59 HD TRP 59 -4.400 -0.128 1.285 377 HE1 TRP 59 1HE TRP 59 -6.835 0.647 1.561 378 HE3 TRP 59 3HE TRP 59 -6.396 -1.988 -3.041 379 HZ2 TRP 59 2HZ TRP 59 -9.296 0.496 0.106 380 HZ3 TRP 59 3HZ TRP 59 -8.794 -1.669 -3.540 381 HH2 TRP 59 HH TRP 59 -10.254 -0.442 -1.995 382 HA PRO 60 HA PRO 60 -2.988 3.548 -1.449 383 1HB PRO 60 2HB PRO 60 -5.529 4.540 -1.813 384 2HB PRO 60 1HB PRO 60 -4.336 4.290 -3.089 385 1HG PRO 60 2HG PRO 60 -6.685 2.586 -2.390 386 2HG PRO 60 1HG PRO 60 -6.035 2.941 -3.990 387 1HD PRO 60 2HD PRO 60 -5.582 0.607 -2.615 388 2HD PRO 60 1HD PRO 60 -4.497 1.210 -3.799 389 H ILE 61 H ILE 61 -3.172 4.645 0.462 390 HA ILE 61 HA ILE 61 -5.049 3.514 2.520 391 HB ILE 61 HB ILE 61 -3.000 2.877 3.378 392 1HG1 ILE 61 2HG1 ILE 61 -2.314 4.426 5.127 393 2HG1 ILE 61 1HG1 ILE 61 -3.048 5.788 4.295 394 1HG2 ILE 61 1HG2 ILE 61 -0.905 4.202 3.073 395 2HG2 ILE 61 2HG2 ILE 61 -1.819 5.366 2.113 396 3HG2 ILE 61 3HG2 ILE 61 -1.633 3.708 1.554 397 1HD1 ILE 61 1HD1 ILE 61 -4.261 3.776 6.003 398 2HD1 ILE 61 2HD1 ILE 61 -5.154 3.983 4.535 399 3HD1 ILE 61 3HD1 ILE 61 -4.829 5.351 5.555 400 H LEU 62 H LEU 62 -6.416 5.024 3.433 401 HA LEU 62 HA LEU 62 -5.758 7.923 3.012 402 1HB LEU 62 2HB LEU 62 -8.606 7.012 3.282 403 2HB LEU 62 1HB LEU 62 -7.921 8.365 2.368 404 HG LEU 62 HG LEU 62 -7.836 5.424 1.620 405 1HD1 LEU 62 1HD1 LEU 62 -8.811 7.700 -0.087 406 2HD1 LEU 62 2HD1 LEU 62 -9.853 7.039 1.149 407 3HD1 LEU 62 3HD1 LEU 62 -9.250 5.995 -0.128 408 1HD2 LEU 62 1HD2 LEU 62 -5.914 5.862 0.541 409 2HD2 LEU 62 2HD2 LEU 62 -5.951 7.577 0.963 410 3HD2 LEU 62 3HD2 LEU 62 -6.778 6.994 -0.452 411 H SER 63 H SER 63 -6.920 9.344 4.625 412 HA SER 63 HA SER 63 -7.344 7.950 7.247 413 1HB SER 63 2HB SER 63 -5.304 10.008 6.558 414 2HB SER 63 1HB SER 63 -6.142 10.246 8.068 415 HG SER 63 HG SER 63 -5.098 7.695 7.457 416 H SER 64 H SER 64 -8.966 9.446 5.029 417 HA SER 64 HA SER 64 -10.634 10.920 6.978 418 1HB SER 64 2HB SER 64 -8.944 12.204 4.947 419 2HB SER 64 1HB SER 64 -10.649 12.617 4.743 420 HG SER 64 HG SER 64 -8.971 13.066 6.957 421 H GLY 65 H GLY 65 -10.285 10.198 3.474 422 1HA GLY 65 2HA GLY 65 -13.131 10.120 3.019 423 2HA GLY 65 1HA GLY 65 -11.897 9.455 1.946 424 H ASP 66 H ASP 66 -11.460 7.248 2.037 425 HA ASP 66 HA ASP 66 -11.971 5.521 4.177 426 1HB ASP 66 2HB ASP 66 -14.428 6.389 3.234 427 2HB ASP 66 1HB ASP 66 -14.186 4.969 2.244 428 H VAL 67 H VAL 67 -12.852 3.201 2.796 429 HA VAL 67 HA VAL 67 -10.508 2.280 1.599 430 HB VAL 67 HB VAL 67 -13.283 1.301 0.826 431 1HG1 VAL 67 1HG1 VAL 67 -11.346 0.321 -0.367 432 2HG1 VAL 67 2HG1 VAL 67 -12.144 -0.857 0.659 433 3HG1 VAL 67 3HG1 VAL 67 -10.638 -0.127 1.184 434 1HG2 VAL 67 1HG2 VAL 67 -13.397 1.400 3.183 435 2HG2 VAL 67 2HG2 VAL 67 -11.708 0.937 3.383 436 3HG2 VAL 67 3HG2 VAL 67 -12.898 -0.248 2.850 437 H TYR 68 H TYR 68 -9.675 2.420 -0.494 438 HA TYR 68 HA TYR 68 -10.460 4.459 -2.239 439 1HB TYR 68 2HB TYR 68 -8.325 3.573 -2.615 440 2HB TYR 68 1HB TYR 68 -8.898 1.905 -2.701 441 HD1 TYR 68 1HD TYR 68 -8.867 5.166 -4.448 442 HD2 TYR 68 2HD TYR 68 -9.705 0.981 -4.756 443 HE1 TYR 68 1HE TYR 68 -9.071 5.386 -6.935 444 HE2 TYR 68 2HE TYR 68 -9.935 1.197 -7.215 445 HH TYR 68 HH TYR 68 -10.502 3.756 -8.818 446 H SER 69 H SER 69 -12.352 4.664 -3.347 447 HA SER 69 HA SER 69 -13.360 2.653 -5.111 448 1HB SER 69 2HB SER 69 -15.612 2.605 -3.450 449 2HB SER 69 1HB SER 69 -14.406 1.331 -3.598 450 HG SER 69 HG SER 69 -14.808 2.155 -1.413 451 H GLY 70 H GLY 70 -13.157 4.864 -6.159 452 1HA GLY 70 2HA GLY 70 -14.942 6.168 -7.314 453 2HA GLY 70 1HA GLY 70 -15.695 6.443 -5.748 454 H GLY 71 H GLY 71 -12.477 6.867 -7.270 455 1HA GLY 71 2HA GLY 71 -12.356 9.661 -7.067 456 2HA GLY 71 1HA GLY 71 -11.765 9.065 -5.513 457 H SER 72 H SER 72 -9.575 9.390 -5.652 458 HA SER 72 HA SER 72 -8.059 7.689 -7.459 459 1HB SER 72 2HB SER 72 -7.485 10.619 -7.855 460 2HB SER 72 1HB SER 72 -7.122 9.241 -8.902 461 HG SER 72 HG SER 72 -8.910 10.555 -9.615 462 HA PRO 73 HA PRO 73 -5.824 8.644 -3.583 463 1HB PRO 73 2HB PRO 73 -4.649 6.195 -3.411 464 2HB PRO 73 1HB PRO 73 -6.277 6.528 -2.850 465 1HG PRO 73 2HG PRO 73 -5.430 5.047 -5.294 466 2HG PRO 73 1HG PRO 73 -6.879 4.877 -4.336 467 1HD PRO 73 2HD PRO 73 -6.685 6.260 -6.807 468 2HD PRO 73 1HD PRO 73 -8.022 6.387 -5.676 469 H GLY 74 H GLY 74 -3.863 6.293 -5.419 470 1HA GLY 74 2HA GLY 74 -1.754 6.492 -6.340 471 2HA GLY 74 1HA GLY 74 -2.197 8.148 -6.759 472 H ALA 75 H ALA 75 0.304 8.186 -6.099 473 HA ALA 75 HA ALA 75 1.881 8.957 -4.570 474 1HB ALA 75 1HB ALA 75 -0.570 10.007 -3.126 475 2HB ALA 75 2HB ALA 75 0.261 10.807 -4.451 476 3HB ALA 75 3HB ALA 75 1.092 10.560 -2.920 477 H ASP 76 H ASP 76 0.396 9.089 -1.593 478 HA ASP 76 HA ASP 76 1.816 7.140 -0.322 479 1HB ASP 76 2HB ASP 76 -1.043 8.042 0.185 480 2HB ASP 76 1HB ASP 76 -0.159 7.005 1.315 481 H ARG 77 H ARG 77 1.555 4.933 0.174 482 HA ARG 77 HA ARG 77 -0.694 3.352 -0.622 483 1HB ARG 77 2HB ARG 77 0.181 3.935 -2.910 484 2HB ARG 77 1HB ARG 77 1.706 3.169 -2.488 485 1HG ARG 77 2HG ARG 77 0.866 1.239 -3.198 486 2HG ARG 77 1HG ARG 77 -0.241 1.249 -1.833 487 1HD ARG 77 2HD ARG 77 -1.602 1.023 -3.758 488 2HD ARG 77 1HD ARG 77 -1.779 2.712 -3.261 489 HE ARG 77 HE ARG 77 0.102 3.104 -4.815 490 1HH1 ARG 77 1HH2 ARG 77 -2.219 4.265 -5.245 491 2HH1 ARG 77 2HH2 ARG 77 -2.849 3.741 -6.771 492 1HH2 ARG 77 1HH1 ARG 77 -0.831 0.917 -6.942 493 2HH2 ARG 77 2HH1 ARG 77 -2.087 1.826 -7.717 494 H VAL 78 H VAL 78 -0.220 2.468 1.459 495 HA VAL 78 HA VAL 78 2.327 1.445 2.231 496 HB VAL 78 HB VAL 78 0.581 1.925 3.887 497 1HG1 VAL 78 1HG1 VAL 78 -0.866 -0.484 2.723 498 2HG1 VAL 78 2HG1 VAL 78 -1.357 1.187 2.469 499 3HG1 VAL 78 3HG1 VAL 78 -1.380 0.501 4.081 500 1HG2 VAL 78 1HG2 VAL 78 2.375 0.059 4.171 501 2HG2 VAL 78 2HG2 VAL 78 1.026 -1.065 3.985 502 3HG2 VAL 78 3HG2 VAL 78 1.023 0.125 5.286 503 H VAL 79 H VAL 79 3.172 -0.670 2.105 504 HA VAL 79 HA VAL 79 1.791 -2.439 0.125 505 HB VAL 79 HB VAL 79 4.682 -2.094 0.920 506 1HG1 VAL 79 1HG1 VAL 79 5.236 -4.027 -0.450 507 2HG1 VAL 79 2HG1 VAL 79 3.554 -4.300 -0.810 508 3HG1 VAL 79 3HG1 VAL 79 4.155 -4.574 0.794 509 1HG2 VAL 79 1HG2 VAL 79 3.628 -0.691 -0.854 510 2HG2 VAL 79 2HG2 VAL 79 3.343 -2.152 -1.790 511 3HG2 VAL 79 3HG2 VAL 79 4.997 -1.662 -1.412 512 H PHE 80 H PHE 80 2.114 -4.797 0.504 513 HA PHE 80 HA PHE 80 2.570 -5.659 3.248 514 1HB PHE 80 2HB PHE 80 0.191 -6.430 3.518 515 2HB PHE 80 1HB PHE 80 0.379 -4.688 3.439 516 HD1 PHE 80 1HD PHE 80 0.019 -3.495 1.177 517 HD2 PHE 80 2HD PHE 80 -1.177 -7.549 1.953 518 HE1 PHE 80 1HE PHE 80 -1.497 -3.407 -0.755 519 HE2 PHE 80 2HE PHE 80 -2.710 -7.455 0.006 520 HZ PHE 80 HZ PHE 80 -2.871 -5.384 -1.349 521 H ASN 81 H ASN 81 1.422 -8.109 3.240 522 HA ASN 81 HA ASN 81 2.326 -9.340 0.654 523 1HB ASN 81 2HB ASN 81 2.865 -11.344 2.318 524 2HB ASN 81 1HB ASN 81 4.016 -10.038 2.028 525 1HD2 ASN 81 1HD2 ASN 81 2.684 -11.752 4.499 526 2HD2 ASN 81 2HD2 ASN 81 2.805 -10.561 5.719 527 H GLU 82 H GLU 82 0.902 -10.880 3.500 528 HA GLU 82 HA GLU 82 -1.698 -11.158 2.243 529 1HB GLU 82 2HB GLU 82 -1.553 -13.688 2.291 530 2HB GLU 82 1HB GLU 82 -0.544 -12.922 1.058 531 1HG GLU 82 2HG GLU 82 1.441 -13.229 2.266 532 2HG GLU 82 1HG GLU 82 0.602 -13.581 3.773 533 H ASN 83 H ASN 83 -0.279 -10.321 4.833 534 HA ASN 83 HA ASN 83 -2.177 -11.726 6.644 535 1HB ASN 83 2HB ASN 83 0.831 -11.504 6.936 536 2HB ASN 83 1HB ASN 83 -0.208 -11.665 8.360 537 1HD2 ASN 83 1HD2 ASN 83 -0.336 -13.784 8.998 538 2HD2 ASN 83 2HD2 ASN 83 -0.346 -15.130 7.917 539 H ASN 84 H ASN 84 -1.875 -9.031 5.285 540 HA ASN 84 HA ASN 84 -2.084 -6.818 5.809 541 1HB ASN 84 2HB ASN 84 -3.642 -6.314 7.499 542 2HB ASN 84 1HB ASN 84 -4.037 -7.989 7.101 543 1HD2 ASN 84 1HD2 ASN 84 -3.954 -9.470 8.792 544 2HD2 ASN 84 2HD2 ASN 84 -3.275 -9.118 10.341 545 H GLN 85 H GLN 85 0.399 -8.361 6.712 546 HA GLN 85 HA GLN 85 1.340 -7.239 9.164 547 1HB GLN 85 2HB GLN 85 2.926 -8.063 6.694 548 2HB GLN 85 1HB GLN 85 3.607 -7.825 8.312 549 1HG GLN 85 2HG GLN 85 1.390 -9.786 7.732 550 2HG GLN 85 1HG GLN 85 3.088 -10.203 7.588 551 1HE2 GLN 85 1HE2 GLN 85 1.550 -11.547 9.479 552 2HE2 GLN 85 2HE2 GLN 85 2.032 -11.022 11.048 553 H LEU 86 H LEU 86 3.564 -6.309 6.742 554 HA LEU 86 HA LEU 86 2.600 -3.923 5.805 555 1HB LEU 86 2HB LEU 86 2.722 -3.631 8.560 556 2HB LEU 86 1HB LEU 86 4.306 -3.064 8.102 557 HG LEU 86 HG LEU 86 2.651 -1.226 8.148 558 1HD1 LEU 86 1HD1 LEU 86 4.644 -1.356 6.516 559 2HD1 LEU 86 2HD1 LEU 86 3.346 -0.235 6.118 560 3HD1 LEU 86 3HD1 LEU 86 3.448 -1.784 5.289 561 1HD2 LEU 86 1HD2 LEU 86 0.762 -2.808 7.358 562 2HD2 LEU 86 2HD2 LEU 86 1.345 -2.492 5.727 563 3HD2 LEU 86 3HD2 LEU 86 0.782 -1.179 6.746 564 H ALA 87 H ALA 87 3.946 -3.847 4.108 565 HA ALA 87 HA ALA 87 6.758 -4.662 4.338 566 1HB ALA 87 1HB ALA 87 5.222 -4.956 2.297 567 2HB ALA 87 2HB ALA 87 6.841 -4.354 1.993 568 3HB ALA 87 3HB ALA 87 5.503 -3.252 2.018 569 H GLY 88 H GLY 88 4.892 -1.659 3.942 570 1HA GLY 88 2HA GLY 88 6.265 0.127 5.397 571 2HA GLY 88 1HA GLY 88 7.365 -0.022 4.025 572 H VAL 89 H VAL 89 5.960 2.385 4.735 573 HA VAL 89 HA VAL 89 3.749 2.627 2.791 574 HB VAL 89 HB VAL 89 5.056 4.681 4.582 575 1HG1 VAL 89 1HG1 VAL 89 2.529 4.804 2.906 576 2HG1 VAL 89 2HG1 VAL 89 4.002 5.717 2.608 577 3HG1 VAL 89 3HG1 VAL 89 3.053 6.040 4.048 578 1HG2 VAL 89 1HG2 VAL 89 3.890 2.998 5.867 579 2HG2 VAL 89 2HG2 VAL 89 2.526 3.032 4.792 580 3HG2 VAL 89 3HG2 VAL 89 2.849 4.407 5.808 581 H ILE 90 H ILE 90 4.293 2.868 0.687 582 HA ILE 90 HA ILE 90 6.788 4.390 0.008 583 HB ILE 90 HB ILE 90 6.797 3.191 -2.048 584 1HG1 ILE 90 2HG1 ILE 90 4.006 2.470 -1.220 585 2HG1 ILE 90 1HG1 ILE 90 4.592 2.913 -2.804 586 1HG2 ILE 90 1HG2 ILE 90 7.642 2.090 0.042 587 2HG2 ILE 90 2HG2 ILE 90 7.213 0.969 -1.233 588 3HG2 ILE 90 3HG2 ILE 90 6.118 1.213 0.135 589 1HD1 ILE 90 1HD1 ILE 90 5.149 0.306 -1.429 590 2HD1 ILE 90 2HD1 ILE 90 5.651 0.717 -3.037 591 3HD1 ILE 90 3HD1 ILE 90 3.943 0.541 -2.668 592 H THR 91 H THR 91 6.623 5.964 -1.741 593 HA THR 91 HA THR 91 3.840 7.017 -2.013 594 HB THR 91 HB THR 91 5.749 8.434 -0.979 595 HG1 THR 91 1HG THR 91 4.717 10.196 -1.768 596 1HG2 THR 91 1HG2 THR 91 7.265 7.723 -2.968 597 2HG2 THR 91 2HG2 THR 91 7.348 9.375 -2.390 598 3HG2 THR 91 3HG2 THR 91 6.441 8.991 -3.843 599 H HIS 92 H HIS 92 3.078 7.558 -4.058 600 HA HIS 92 HA HIS 92 4.616 6.562 -6.373 601 1HB HIS 92 2HB HIS 92 2.332 5.446 -5.595 602 2HB HIS 92 1HB HIS 92 1.606 6.802 -6.438 603 HD1 HIS 92 1HD HIS 92 4.242 4.167 -7.155 604 HD2 HIS 92 2HD HIS 92 1.344 6.380 -9.136 605 HE1 HIS 92 1HE HIS 92 4.121 3.220 -9.494 606 HE2 HIS 92 2HE HIS 92 2.201 4.416 -10.619 607 H THR 93 H THR 93 5.415 8.927 -6.040 608 HA THR 93 HA THR 93 4.426 10.568 -8.140 609 HB THR 93 HB THR 93 3.281 11.150 -5.399 610 HG1 THR 93 1HG THR 93 2.202 11.195 -8.055 611 1HG2 THR 93 1HG2 THR 93 4.238 13.255 -5.849 612 2HG2 THR 93 2HG2 THR 93 2.603 13.384 -6.480 613 3HG2 THR 93 3HG2 THR 93 3.943 13.128 -7.590 614 H GLY 94 H GLY 94 6.145 10.374 -5.064 615 1HA GLY 94 2HA GLY 94 7.660 12.821 -5.509 616 2HA GLY 94 1HA GLY 94 7.931 11.634 -4.237 617 H ALA 95 H ALA 95 7.788 10.111 -7.287 618 HA ALA 95 HA ALA 95 10.715 10.402 -7.721 619 1HB ALA 95 1HB ALA 95 9.258 7.752 -7.438 620 2HB ALA 95 2HB ALA 95 10.399 8.427 -6.276 621 3HB ALA 95 3HB ALA 95 10.954 7.959 -7.883 622 H SER 96 H SER 96 11.328 10.052 -9.888 623 HA SER 96 HA SER 96 9.623 10.749 -11.942 624 1HB SER 96 2HB SER 96 11.199 9.100 -13.366 625 2HB SER 96 1HB SER 96 11.837 10.580 -12.642 626 HG SER 96 HG SER 96 13.155 8.826 -12.094 627 H GLY 97 H GLY 97 7.939 9.735 -13.040 628 1HA GLY 97 2HA GLY 97 6.373 8.064 -13.556 629 2HA GLY 97 1HA GLY 97 7.664 6.883 -13.303 630 H ASN 98 H ASN 98 6.563 9.248 -10.928 631 HA ASN 98 HA ASN 98 6.080 8.869 -8.688 632 1HB ASN 98 2HB ASN 98 3.787 7.247 -9.061 633 2HB ASN 98 1HB ASN 98 3.862 8.958 -8.933 634 1HD2 ASN 98 1HD2 ASN 98 2.857 6.571 -11.004 635 2HD2 ASN 98 2HD2 ASN 98 2.797 7.519 -12.411 636 H ASN 99 H ASN 99 8.085 7.017 -9.431 637 HA ASN 99 HA ASN 99 7.430 4.296 -8.927 638 1HB ASN 99 2HB ASN 99 9.909 5.973 -8.823 639 2HB ASN 99 1HB ASN 99 9.963 4.481 -7.878 640 1HD2 ASN 99 1HD2 ASN 99 11.490 3.534 -9.378 641 2HD2 ASN 99 2HD2 ASN 99 10.957 2.994 -10.930 642 H PHE 100 H PHE 100 8.108 3.117 -6.848 643 HA PHE 100 HA PHE 100 6.841 4.557 -4.590 644 1HB PHE 100 2HB PHE 100 7.743 1.747 -4.196 645 2HB PHE 100 1HB PHE 100 6.274 2.568 -3.774 646 HD1 PHE 100 1HD PHE 100 7.998 0.873 -6.482 647 HD2 PHE 100 2HD PHE 100 4.360 2.739 -5.212 648 HE1 PHE 100 1HE PHE 100 6.820 -0.097 -8.446 649 HE2 PHE 100 2HE PHE 100 3.179 1.776 -7.169 650 HZ PHE 100 HZ PHE 100 4.409 0.347 -8.779 651 H VAL 101 H VAL 101 7.875 4.890 -2.609 652 HA VAL 101 HA VAL 101 10.618 4.004 -2.149 653 HB VAL 101 HB VAL 101 11.503 6.357 -1.952 654 1HG1 VAL 101 1HG1 VAL 101 11.736 4.767 -4.001 655 2HG1 VAL 101 2HG1 VAL 101 12.110 6.465 -4.197 656 3HG1 VAL 101 3HG1 VAL 101 10.579 5.852 -4.787 657 1HG2 VAL 101 1HG2 VAL 101 9.277 7.488 -1.826 658 2HG2 VAL 101 2HG2 VAL 101 8.976 7.017 -3.497 659 3HG2 VAL 101 3HG2 VAL 101 10.280 8.125 -3.115 660 H GLU 102 H GLU 102 10.916 3.894 0.056 661 HA GLU 102 HA GLU 102 8.880 4.129 1.907 662 1HB GLU 102 2HB GLU 102 11.806 4.794 2.431 663 2HB GLU 102 1HB GLU 102 10.608 4.359 3.665 664 1HG GLU 102 2HG GLU 102 10.256 2.185 2.358 665 2HG GLU 102 1HG GLU 102 11.707 2.638 1.446 666 H CYS 103 H CYS 103 7.845 5.795 2.970 667 HA CYS 103 HA CYS 103 8.042 8.453 1.955 668 1HB CYS 103 2HB CYS 103 6.677 7.130 4.285 669 2HB CYS 103 1HB CYS 103 6.843 8.892 4.353 670 H THR 104 H THR 104 9.616 9.939 2.320 671 HA THR 104 HA THR 104 10.999 9.910 4.978 672 HB THR 104 HB THR 104 12.979 10.728 3.175 673 HG1 THR 104 1HG THR 104 12.856 9.425 1.433 674 1HG2 THR 104 1HG2 THR 104 14.001 8.576 3.650 675 2HG2 THR 104 2HG2 THR 104 12.460 7.940 4.221 676 3HG2 THR 104 3HG2 THR 104 13.262 9.238 5.108 Start of MODEL 2 1 1H ALA 1 1HT ALA 1 -0.801 10.409 16.607 2 2H ALA 1 2HT ALA 1 -0.145 11.909 16.084 3 3H ALA 1 3HT ALA 1 -0.003 11.441 17.725 4 HA ALA 1 HA ALA 1 2.072 11.155 16.578 5 1HB ALA 1 1HB ALA 1 0.675 8.549 17.252 6 2HB ALA 1 2HB ALA 1 1.481 9.616 18.400 7 3HB ALA 1 3HB ALA 1 2.423 8.785 17.164 8 H CYS 2 H CYS 2 3.253 9.816 14.956 9 HA CYS 2 HA CYS 2 2.046 8.206 13.020 10 1HB CYS 2 2HB CYS 2 1.925 9.904 11.110 11 2HB CYS 2 1HB CYS 2 0.637 10.024 12.304 12 H ASP 3 H ASP 3 3.648 7.348 11.711 13 HA ASP 3 HA ASP 3 6.293 8.769 11.762 14 1HB ASP 3 2HB ASP 3 6.143 6.561 13.000 15 2HB ASP 3 1HB ASP 3 5.829 5.778 11.446 16 H TYR 4 H TYR 4 3.891 7.111 9.766 17 HA TYR 4 HA TYR 4 5.615 7.317 7.384 18 1HB TYR 4 2HB TYR 4 2.800 6.290 7.898 19 2HB TYR 4 1HB TYR 4 3.444 6.445 6.255 20 HD1 TYR 4 1HD TYR 4 6.242 5.692 6.510 21 HD2 TYR 4 2HD TYR 4 2.753 3.986 8.356 22 HE1 TYR 4 1HE TYR 4 7.421 3.536 6.732 23 HE2 TYR 4 2HE TYR 4 3.935 1.816 8.569 24 HH TYR 4 HH TYR 4 6.129 0.733 7.084 25 H THR 5 H THR 5 5.907 9.542 7.059 26 HA THR 5 HA THR 5 3.395 11.012 6.314 27 HB THR 5 HB THR 5 5.836 12.031 7.802 28 HG1 THR 5 1HG THR 5 4.343 11.283 9.228 29 1HG2 THR 5 1HG2 THR 5 3.657 13.495 6.310 30 2HG2 THR 5 2HG2 THR 5 5.403 13.765 6.267 31 3HG2 THR 5 3HG2 THR 5 4.476 14.216 7.691 32 H CYS 6 H CYS 6 3.479 12.136 4.405 33 HA CYS 6 HA CYS 6 6.107 12.449 3.019 34 1HB CYS 6 2HB CYS 6 3.819 10.703 2.204 35 2HB CYS 6 1HB CYS 6 4.585 11.640 0.919 36 H GLY 7 H GLY 7 3.741 14.003 4.219 37 1HA GLY 7 2HA GLY 7 3.965 16.315 2.623 38 2HA GLY 7 1HA GLY 7 2.485 15.481 2.137 39 H SER 8 H SER 8 4.062 15.922 5.320 40 HA SER 8 HA SER 8 3.162 16.649 7.336 41 1HB SER 8 2HB SER 8 3.059 18.847 6.522 42 2HB SER 8 1HB SER 8 1.842 18.469 5.309 43 HG SER 8 HG SER 8 1.527 18.844 8.076 44 H ASN 9 H ASN 9 1.778 14.454 5.668 45 HA ASN 9 HA ASN 9 -1.043 14.695 6.314 46 1HB ASN 9 2HB ASN 9 0.757 12.552 5.188 47 2HB ASN 9 1HB ASN 9 -0.823 12.117 5.765 48 1HD2 ASN 9 1HD2 ASN 9 0.873 13.738 3.233 49 2HD2 ASN 9 2HD2 ASN 9 -0.532 14.122 2.304 50 H CYS 10 H CYS 10 1.800 13.202 7.841 51 HA CYS 10 HA CYS 10 2.046 12.338 9.946 52 1HB CYS 10 2HB CYS 10 1.031 14.453 10.694 53 2HB CYS 10 1HB CYS 10 -0.586 13.785 10.469 54 H TYR 11 H TYR 11 1.173 10.486 8.204 55 HA TYR 11 HA TYR 11 -1.317 9.217 9.149 56 1HB TYR 11 2HB TYR 11 0.801 8.510 7.097 57 2HB TYR 11 1HB TYR 11 -0.423 7.334 7.565 58 HD1 TYR 11 1HD TYR 11 -0.883 7.556 5.009 59 HD2 TYR 11 2HD TYR 11 -1.692 10.668 7.872 60 HE1 TYR 11 1HE TYR 11 -2.499 8.604 3.447 61 HE2 TYR 11 2HE TYR 11 -3.282 11.695 6.331 62 HH TYR 11 HH TYR 11 -4.638 10.214 3.766 63 H SER 12 H SER 12 -1.464 7.725 10.732 64 HA SER 12 HA SER 12 1.026 6.971 12.125 65 1HB SER 12 2HB SER 12 -1.777 6.132 12.885 66 2HB SER 12 1HB SER 12 -0.354 6.297 13.922 67 HG SER 12 HG SER 12 -1.938 8.071 13.974 68 H SER 13 H SER 13 1.898 4.942 12.164 69 HA SER 13 HA SER 13 1.403 3.124 10.072 70 1HB SER 13 2HB SER 13 3.002 1.802 11.062 71 2HB SER 13 1HB SER 13 3.286 3.257 12.023 72 HG SER 13 HG SER 13 2.936 1.257 13.243 73 H SER 14 H SER 14 -0.304 3.599 13.082 74 HA SER 14 HA SER 14 -1.637 1.019 13.051 75 1HB SER 14 2HB SER 14 -1.514 2.044 15.187 76 2HB SER 14 1HB SER 14 -2.050 3.609 14.562 77 HG SER 14 HG SER 14 -3.785 2.614 15.583 78 H ASP 15 H ASP 15 -2.375 4.312 11.929 79 HA ASP 15 HA ASP 15 -5.077 3.670 11.123 80 1HB ASP 15 2HB ASP 15 -4.035 6.019 11.508 81 2HB ASP 15 1HB ASP 15 -3.357 5.859 9.882 82 H VAL 16 H VAL 16 -1.882 3.373 9.738 83 HA VAL 16 HA VAL 16 -2.760 2.949 7.027 84 HB VAL 16 HB VAL 16 -0.224 1.836 8.270 85 1HG1 VAL 16 1HG1 VAL 16 -0.964 2.781 5.476 86 2HG1 VAL 16 2HG1 VAL 16 -0.737 1.107 5.977 87 3HG1 VAL 16 3HG1 VAL 16 0.632 2.215 5.968 88 1HG2 VAL 16 1HG2 VAL 16 0.642 4.143 7.261 89 2HG2 VAL 16 2HG2 VAL 16 0.028 4.029 8.882 90 3HG2 VAL 16 3HG2 VAL 16 -1.003 4.664 7.620 91 H SER 17 H SER 17 -2.364 0.922 9.875 92 HA SER 17 HA SER 17 -2.434 -1.627 8.630 93 1HB SER 17 2HB SER 17 -2.001 -1.901 10.861 94 2HB SER 17 1HB SER 17 -3.029 -0.558 11.345 95 HG SER 17 HG SER 17 -3.992 -2.489 11.973 96 H THR 18 H THR 18 -5.099 0.462 9.790 97 HA THR 18 HA THR 18 -7.226 -1.309 9.125 98 HB THR 18 HB THR 18 -8.315 1.203 8.659 99 HG1 THR 18 1HG THR 18 -6.498 2.388 8.965 100 1HG2 THR 18 1HG2 THR 18 -8.916 1.187 11.022 101 2HG2 THR 18 2HG2 THR 18 -7.676 -0.022 11.352 102 3HG2 THR 18 3HG2 THR 18 -9.062 -0.432 10.338 103 H ALA 19 H ALA 19 -5.705 1.286 7.214 104 HA ALA 19 HA ALA 19 -7.254 0.687 4.831 105 1HB ALA 19 1HB ALA 19 -4.713 2.204 5.301 106 2HB ALA 19 2HB ALA 19 -6.316 2.898 5.096 107 3HB ALA 19 3HB ALA 19 -5.501 2.137 3.722 108 H GLN 20 H GLN 20 -4.609 -0.838 6.372 109 HA GLN 20 HA GLN 20 -3.453 -1.930 3.947 110 1HB GLN 20 2HB GLN 20 -2.496 -1.576 6.537 111 2HB GLN 20 1HB GLN 20 -2.796 -3.302 6.505 112 1HG GLN 20 2HG GLN 20 -0.970 -1.682 4.736 113 2HG GLN 20 1HG GLN 20 -0.626 -3.098 5.730 114 1HE2 GLN 20 1HE2 GLN 20 -1.951 -5.118 5.086 115 2HE2 GLN 20 2HE2 GLN 20 -2.233 -5.351 3.414 116 H ALA 21 H ALA 21 -5.844 -2.811 6.352 117 HA ALA 21 HA ALA 21 -5.956 -5.621 5.519 118 1HB ALA 21 1HB ALA 21 -6.505 -4.976 7.824 119 2HB ALA 21 2HB ALA 21 -7.893 -5.728 7.040 120 3HB ALA 21 3HB ALA 21 -7.834 -3.974 7.242 121 H ALA 22 H ALA 22 -7.204 -2.618 4.393 122 HA ALA 22 HA ALA 22 -9.659 -3.670 3.236 123 1HB ALA 22 1HB ALA 22 -8.113 -1.132 2.609 124 2HB ALA 22 2HB ALA 22 -9.392 -1.284 3.813 125 3HB ALA 22 3HB ALA 22 -9.765 -1.495 2.105 126 H GLY 23 H GLY 23 -6.492 -2.631 1.871 127 1HA GLY 23 2HA GLY 23 -7.056 -3.633 -0.772 128 2HA GLY 23 1HA GLY 23 -5.456 -3.275 -0.131 129 H TYR 24 H TYR 24 -5.779 -5.074 2.159 130 HA TYR 24 HA TYR 24 -4.810 -7.480 0.872 131 1HB TYR 24 2HB TYR 24 -3.860 -7.096 2.993 132 2HB TYR 24 1HB TYR 24 -5.415 -6.676 3.722 133 HD1 TYR 24 1HD TYR 24 -4.128 -9.581 1.717 134 HD2 TYR 24 2HD TYR 24 -6.083 -8.235 5.295 135 HE1 TYR 24 1HE TYR 24 -4.436 -11.938 2.432 136 HE2 TYR 24 2HE TYR 24 -6.391 -10.589 6.015 137 HH TYR 24 HH TYR 24 -6.421 -13.073 4.291 138 H GLN 25 H GLN 25 -7.534 -7.189 3.204 139 HA GLN 25 HA GLN 25 -8.815 -9.552 2.696 140 1HB GLN 25 2HB GLN 25 -9.537 -7.149 3.928 141 2HB GLN 25 1HB GLN 25 -10.799 -7.371 2.726 142 1HG GLN 25 2HG GLN 25 -11.310 -9.560 3.580 143 2HG GLN 25 1HG GLN 25 -9.925 -9.508 4.686 144 1HE2 GLN 25 1HE2 GLN 25 -10.709 -9.191 6.751 145 2HE2 GLN 25 2HE2 GLN 25 -11.954 -8.065 7.157 146 H LEU 26 H LEU 26 -9.556 -6.551 0.874 147 HA LEU 26 HA LEU 26 -11.263 -7.644 -1.008 148 1HB LEU 26 2HB LEU 26 -9.772 -5.239 -0.775 149 2HB LEU 26 1HB LEU 26 -9.325 -5.874 -2.345 150 HG LEU 26 HG LEU 26 -11.276 -4.427 -2.574 151 1HD1 LEU 26 1HD1 LEU 26 -11.106 -6.439 -4.008 152 2HD1 LEU 26 2HD1 LEU 26 -12.779 -6.006 -3.678 153 3HD1 LEU 26 3HD1 LEU 26 -12.042 -7.356 -2.835 154 1HD2 LEU 26 1HD2 LEU 26 -13.317 -4.822 -1.409 155 2HD2 LEU 26 2HD2 LEU 26 -12.053 -4.810 -0.186 156 3HD2 LEU 26 3HD2 LEU 26 -12.745 -6.339 -0.727 157 H HIS 27 H HIS 27 -7.712 -7.645 -1.130 158 HA HIS 27 HA HIS 27 -7.429 -8.942 -3.629 159 1HB HIS 27 2HB HIS 27 -5.499 -7.971 -2.525 160 2HB HIS 27 1HB HIS 27 -5.665 -9.078 -1.164 161 HD1 HIS 27 1HD HIS 27 -5.944 -10.062 -4.807 162 HD2 HIS 27 2HD HIS 27 -3.386 -10.613 -1.556 163 HE1 HIS 27 1HE HIS 27 -4.240 -11.780 -5.523 164 HE2 HIS 27 2HE HIS 27 -2.885 -12.321 -3.459 165 H GLU 28 H GLU 28 -7.583 -10.402 -0.368 166 HA GLU 28 HA GLU 28 -7.641 -13.110 -1.554 167 1HB GLU 28 2HB GLU 28 -7.702 -13.891 0.774 168 2HB GLU 28 1HB GLU 28 -6.426 -12.690 0.557 169 1HG GLU 28 2HG GLU 28 -7.306 -11.487 2.207 170 2HG GLU 28 1HG GLU 28 -8.729 -11.194 1.237 171 H ASP 29 H ASP 29 -9.939 -10.872 -1.593 172 HA ASP 29 HA ASP 29 -12.106 -12.647 -0.613 173 1HB ASP 29 2HB ASP 29 -11.992 -10.239 0.176 174 2HB ASP 29 1HB ASP 29 -12.333 -9.741 -1.485 175 H GLY 30 H GLY 30 -10.502 -11.666 -3.470 176 1HA GLY 30 2HA GLY 30 -10.930 -12.373 -5.659 177 2HA GLY 30 1HA GLY 30 -12.437 -13.110 -5.116 178 H GLU 31 H GLU 31 -12.588 -10.082 -3.851 179 HA GLU 31 HA GLU 31 -14.338 -9.152 -6.021 180 1HB GLU 31 2HB GLU 31 -13.713 -8.175 -3.230 181 2HB GLU 31 1HB GLU 31 -14.796 -7.305 -4.300 182 1HG GLU 31 2HG GLU 31 -15.388 -10.196 -4.098 183 2HG GLU 31 1HG GLU 31 -15.463 -9.346 -2.548 184 H THR 32 H THR 32 -14.118 -6.509 -6.146 185 HA THR 32 HA THR 32 -11.255 -5.765 -6.317 186 HB THR 32 HB THR 32 -12.807 -4.972 -8.733 187 HG1 THR 32 1HG THR 32 -12.051 -7.710 -8.451 188 1HG2 THR 32 1HG2 THR 32 -10.095 -5.415 -7.909 189 2HG2 THR 32 2HG2 THR 32 -10.732 -4.707 -9.401 190 3HG2 THR 32 3HG2 THR 32 -10.454 -6.440 -9.303 191 H VAL 33 H VAL 33 -11.230 -3.355 -7.242 192 HA VAL 33 HA VAL 33 -13.177 -1.873 -5.519 193 HB VAL 33 HB VAL 33 -11.541 -0.007 -5.737 194 1HG1 VAL 33 1HG1 VAL 33 -9.864 -0.948 -4.364 195 2HG1 VAL 33 2HG1 VAL 33 -10.219 -2.592 -4.904 196 3HG1 VAL 33 3HG1 VAL 33 -11.384 -1.705 -3.912 197 1HG2 VAL 33 1HG2 VAL 33 -9.890 -0.033 -7.263 198 2HG2 VAL 33 2HG2 VAL 33 -10.650 -1.433 -8.003 199 3HG2 VAL 33 3HG2 VAL 33 -9.383 -1.649 -6.811 200 H GLY 34 H GLY 34 -12.035 0.444 -7.547 201 1HA GLY 34 2HA GLY 34 -14.358 1.064 -8.822 202 2HA GLY 34 1HA GLY 34 -12.777 1.416 -9.518 203 H SER 35 H SER 35 -11.824 -1.104 -10.098 204 HA SER 35 HA SER 35 -13.451 -3.019 -11.239 205 1HB SER 35 2HB SER 35 -13.441 -0.495 -12.855 206 2HB SER 35 1HB SER 35 -13.274 -2.003 -13.748 207 HG SER 35 HG SER 35 -15.463 -1.027 -12.419 208 H ASN 36 H ASN 36 -10.673 -0.930 -11.833 209 HA ASN 36 HA ASN 36 -9.266 -2.885 -13.477 210 1HB ASN 36 2HB ASN 36 -7.817 -0.702 -11.989 211 2HB ASN 36 1HB ASN 36 -7.597 -1.286 -13.645 212 1HD2 ASN 36 1HD2 ASN 36 -10.422 -1.132 -14.416 213 2HD2 ASN 36 2HD2 ASN 36 -10.800 0.544 -14.456 214 H SER 37 H SER 37 -9.840 -2.598 -10.098 215 HA SER 37 HA SER 37 -9.040 -3.875 -8.346 216 1HB SER 37 2HB SER 37 -8.245 -5.999 -8.854 217 2HB SER 37 1HB SER 37 -8.767 -5.582 -10.493 218 HG SER 37 HG SER 37 -6.558 -6.327 -10.298 219 H TYR 38 H TYR 38 -7.671 -2.934 -6.940 220 HA TYR 38 HA TYR 38 -5.215 -1.723 -8.014 221 1HB TYR 38 2HB TYR 38 -7.101 -0.854 -6.146 222 2HB TYR 38 1HB TYR 38 -5.636 -1.158 -5.199 223 HD1 TYR 38 1HD TYR 38 -3.428 -0.581 -6.904 224 HD2 TYR 38 2HD TYR 38 -7.206 1.389 -6.691 225 HE1 TYR 38 1HE TYR 38 -2.423 1.453 -7.835 226 HE2 TYR 38 2HE TYR 38 -6.141 3.462 -7.605 227 HH TYR 38 HH TYR 38 -3.680 3.751 -9.204 228 HA PRO 39 HA PRO 39 -3.504 -4.616 -4.559 229 1HB PRO 39 2HB PRO 39 -4.685 -7.064 -4.426 230 2HB PRO 39 1HB PRO 39 -5.162 -5.678 -3.450 231 1HG PRO 39 2HG PRO 39 -6.550 -6.866 -5.819 232 2HG PRO 39 1HG PRO 39 -7.239 -5.996 -4.438 233 1HD PRO 39 2HD PRO 39 -6.762 -4.959 -6.997 234 2HD PRO 39 1HD PRO 39 -7.149 -4.018 -5.534 235 H HIS 40 H HIS 40 -1.686 -4.833 -5.939 236 HA HIS 40 HA HIS 40 -1.628 -7.386 -7.508 237 1HB HIS 40 2HB HIS 40 0.250 -5.549 -8.699 238 2HB HIS 40 1HB HIS 40 -1.138 -6.346 -9.416 239 HD1 HIS 40 1HD HIS 40 -3.512 -5.173 -8.847 240 HD2 HIS 40 2HD HIS 40 -0.098 -2.795 -8.591 241 HE1 HIS 40 1HE HIS 40 -4.250 -2.803 -9.095 242 HE2 HIS 40 2HE HIS 40 -2.212 -1.370 -9.114 243 H LYS 41 H LYS 41 0.150 -8.641 -7.173 244 HA LYS 41 HA LYS 41 1.691 -8.351 -4.884 245 1HB LYS 41 2HB LYS 41 2.726 -10.257 -5.501 246 2HB LYS 41 1HB LYS 41 1.461 -10.325 -6.729 247 1HG LYS 41 2HG LYS 41 2.961 -9.205 -8.345 248 2HG LYS 41 1HG LYS 41 4.240 -9.147 -7.127 249 1HD LYS 41 2HD LYS 41 3.162 -11.516 -8.593 250 2HD LYS 41 1HD LYS 41 4.838 -11.029 -8.313 251 1HE LYS 41 2HE LYS 41 4.545 -11.567 -5.889 252 2HE LYS 41 1HE LYS 41 2.919 -12.169 -6.255 253 1HZ LYS 41 1HZ LYS 41 4.508 -13.962 -6.208 254 2HZ LYS 41 2HZ LYS 41 5.425 -13.235 -7.428 255 3HZ LYS 41 3HZ LYS 41 3.856 -13.786 -7.759 256 H TYR 42 H TYR 42 3.734 -7.471 -4.406 257 HA TYR 42 HA TYR 42 4.870 -5.695 -6.505 258 1HB TYR 42 2HB TYR 42 4.015 -4.390 -4.619 259 2HB TYR 42 1HB TYR 42 4.894 -5.416 -3.477 260 HD1 TYR 42 1HD TYR 42 6.320 -4.431 -6.743 261 HD2 TYR 42 2HD TYR 42 6.202 -3.600 -2.535 262 HE1 TYR 42 1HE TYR 42 8.305 -3.005 -6.975 263 HE2 TYR 42 2HE TYR 42 8.180 -2.135 -2.766 264 HH TYR 42 HH TYR 42 10.053 -1.736 -4.243 265 H ASN 43 H ASN 43 6.494 -7.000 -7.334 266 HA ASN 43 HA ASN 43 8.041 -8.815 -5.663 267 1HB ASN 43 2HB ASN 43 9.537 -8.885 -7.833 268 2HB ASN 43 1HB ASN 43 7.897 -9.527 -7.883 269 1HD2 ASN 43 1HD2 ASN 43 8.964 -6.092 -8.000 270 2HD2 ASN 43 2HD2 ASN 43 8.214 -5.805 -9.509 271 H ASN 44 H ASN 44 8.205 -5.753 -5.095 272 HA ASN 44 HA ASN 44 9.819 -4.296 -4.351 273 1HB ASN 44 2HB ASN 44 11.857 -6.504 -4.481 274 2HB ASN 44 1HB ASN 44 11.658 -5.222 -3.282 275 1HD2 ASN 44 1HD2 ASN 44 11.799 -8.113 -2.754 276 2HD2 ASN 44 2HD2 ASN 44 10.297 -8.512 -2.001 277 H TYR 45 H TYR 45 11.484 -2.948 -5.224 278 HA TYR 45 HA TYR 45 13.150 -3.722 -7.417 279 1HB TYR 45 2HB TYR 45 10.421 -2.980 -8.116 280 2HB TYR 45 1HB TYR 45 11.532 -1.773 -8.765 281 HD1 TYR 45 1HD TYR 45 10.339 -5.159 -9.063 282 HD2 TYR 45 2HD TYR 45 13.459 -2.474 -10.199 283 HE1 TYR 45 1HE TYR 45 10.987 -6.722 -10.865 284 HE2 TYR 45 2HE TYR 45 14.119 -4.016 -12.026 285 HH TYR 45 HH TYR 45 12.400 -6.180 -13.345 286 H GLU 46 H GLU 46 11.281 -0.835 -6.410 287 HA GLU 46 HA GLU 46 12.978 1.194 -6.973 288 1HB GLU 46 2HB GLU 46 10.833 0.852 -5.256 289 2HB GLU 46 1HB GLU 46 12.124 1.257 -4.146 290 1HG GLU 46 2HG GLU 46 11.955 2.907 -6.622 291 2HG GLU 46 1HG GLU 46 10.653 3.082 -5.443 292 H GLY 47 H GLY 47 13.298 -0.712 -3.951 293 1HA GLY 47 2HA GLY 47 15.755 -1.486 -3.648 294 2HA GLY 47 1HA GLY 47 16.151 0.228 -3.769 295 H PHE 48 H PHE 48 13.587 -1.601 -2.044 296 HA PHE 48 HA PHE 48 14.081 0.107 0.342 297 1HB PHE 48 2HB PHE 48 12.013 -2.096 -0.043 298 2HB PHE 48 1HB PHE 48 12.011 -0.818 1.185 299 HD1 PHE 48 1HD PHE 48 13.007 1.421 -0.724 300 HD2 PHE 48 2HD PHE 48 9.875 -1.496 -1.028 301 HE1 PHE 48 1HE PHE 48 11.763 2.899 -2.237 302 HE2 PHE 48 2HE PHE 48 8.619 0.000 -2.514 303 HZ PHE 48 HZ PHE 48 9.566 2.195 -3.150 304 H ASP 49 H ASP 49 13.561 -1.573 2.430 305 HA ASP 49 HA ASP 49 15.271 -3.954 2.110 306 1HB ASP 49 2HB ASP 49 16.562 -1.674 2.790 307 2HB ASP 49 1HB ASP 49 16.035 -2.154 4.403 308 H PHE 50 H PHE 50 12.564 -3.892 2.655 309 HA PHE 50 HA PHE 50 12.270 -4.222 5.594 310 1HB PHE 50 2HB PHE 50 9.826 -4.899 4.799 311 2HB PHE 50 1HB PHE 50 10.345 -3.213 4.789 312 HD1 PHE 50 1HD PHE 50 11.056 -6.058 2.434 313 HD2 PHE 50 2HD PHE 50 9.382 -2.144 2.967 314 HE1 PHE 50 1HE PHE 50 10.609 -5.934 0.019 315 HE2 PHE 50 2HE PHE 50 8.902 -2.028 0.554 316 HZ PHE 50 HZ PHE 50 9.532 -3.913 -0.936 317 H SER 51 H SER 51 10.770 -6.304 6.089 318 HA SER 51 HA SER 51 11.604 -8.652 4.497 319 1HB SER 51 2HB SER 51 12.287 -8.615 7.455 320 2HB SER 51 1HB SER 51 12.865 -9.712 6.193 321 HG SER 51 HG SER 51 14.406 -8.083 6.803 322 H VAL 52 H VAL 52 9.071 -7.915 4.608 323 HA VAL 52 HA VAL 52 7.747 -9.243 6.917 324 HB VAL 52 HB VAL 52 6.746 -7.530 4.639 325 1HG1 VAL 52 1HG1 VAL 52 4.490 -7.787 5.747 326 2HG1 VAL 52 2HG1 VAL 52 5.174 -9.117 6.679 327 3HG1 VAL 52 3HG1 VAL 52 5.059 -9.230 4.932 328 1HG2 VAL 52 1HG2 VAL 52 7.353 -6.018 6.234 329 2HG2 VAL 52 2HG2 VAL 52 7.302 -7.196 7.533 330 3HG2 VAL 52 3HG2 VAL 52 5.819 -6.476 6.953 331 H SER 53 H SER 53 8.421 -9.731 3.489 332 HA SER 53 HA SER 53 8.024 -12.482 3.504 333 1HB SER 53 2HB SER 53 5.727 -12.351 4.087 334 2HB SER 53 1HB SER 53 5.518 -10.921 3.087 335 HG SER 53 HG SER 53 5.366 -13.563 2.400 336 H SER 54 H SER 54 7.854 -13.384 1.243 337 HA SER 54 HA SER 54 9.315 -11.679 -0.610 338 1HB SER 54 2HB SER 54 8.254 -14.029 -1.950 339 2HB SER 54 1HB SER 54 9.890 -13.642 -1.471 340 HG SER 54 HG SER 54 9.249 -15.497 -0.396 341 HA PRO 55 HA PRO 55 5.343 -11.918 -3.274 342 1HB PRO 55 2HB PRO 55 3.137 -13.107 -2.166 343 2HB PRO 55 1HB PRO 55 4.357 -13.965 -3.100 344 1HG PRO 55 2HG PRO 55 3.975 -13.907 -0.120 345 2HG PRO 55 1HG PRO 55 4.537 -15.236 -1.151 346 1HD PRO 55 2HD PRO 55 6.188 -13.640 0.362 347 2HD PRO 55 1HD PRO 55 6.682 -14.566 -1.033 348 H TYR 56 H TYR 56 5.623 -9.685 -2.556 349 HA TYR 56 HA TYR 56 3.992 -8.680 -0.356 350 1HB TYR 56 2HB TYR 56 5.714 -7.441 -2.477 351 2HB TYR 56 1HB TYR 56 4.735 -6.416 -1.496 352 HD1 TYR 56 1HD TYR 56 7.834 -8.016 -1.759 353 HD2 TYR 56 2HD TYR 56 4.904 -6.827 1.118 354 HE1 TYR 56 1HE TYR 56 9.565 -8.040 0.017 355 HE2 TYR 56 2HE TYR 56 6.613 -6.890 2.889 356 HH TYR 56 HH TYR 56 8.993 -6.763 3.198 357 H TYR 57 H TYR 57 2.809 -6.422 -1.242 358 HA TYR 57 HA TYR 57 1.298 -6.805 -3.689 359 1HB TYR 57 2HB TYR 57 0.031 -7.181 -0.961 360 2HB TYR 57 1HB TYR 57 -0.936 -6.790 -2.396 361 HD1 TYR 57 1HD TYR 57 0.923 -9.374 -0.622 362 HD2 TYR 57 2HD TYR 57 -0.960 -8.348 -4.344 363 HE1 TYR 57 1HE TYR 57 0.939 -11.764 -1.288 364 HE2 TYR 57 2HE TYR 57 -0.948 -10.737 -5.011 365 HH TYR 57 HH TYR 57 -0.795 -13.161 -3.254 366 H GLU 58 H GLU 58 0.126 -4.849 -4.229 367 HA GLU 58 HA GLU 58 0.841 -2.548 -2.436 368 1HB GLU 58 2HB GLU 58 0.979 -1.185 -4.513 369 2HB GLU 58 1HB GLU 58 2.182 -2.462 -4.435 370 1HG GLU 58 2HG GLU 58 -0.196 -3.519 -5.696 371 2HG GLU 58 1HG GLU 58 0.217 -1.992 -6.445 372 H TRP 59 H TRP 59 -0.702 -1.073 -2.001 373 HA TRP 59 HA TRP 59 -3.231 -0.980 -3.476 374 1HB TRP 59 2HB TRP 59 -3.951 -2.711 -2.049 375 2HB TRP 59 1HB TRP 59 -2.970 -2.142 -0.695 376 HD1 TRP 59 HD TRP 59 -3.866 0.000 0.642 377 HE1 TRP 59 1HE TRP 59 -6.265 0.841 1.035 378 HE3 TRP 59 3HE TRP 59 -6.295 -2.517 -3.092 379 HZ2 TRP 59 2HZ TRP 59 -8.860 0.484 -0.105 380 HZ3 TRP 59 3HZ TRP 59 -8.716 -2.263 -3.379 381 HH2 TRP 59 HH TRP 59 -10.017 -0.773 -1.944 382 HA PRO 60 HA PRO 60 -2.622 3.218 -2.216 383 1HB PRO 60 2HB PRO 60 -5.204 4.150 -2.422 384 2HB PRO 60 1HB PRO 60 -4.133 3.853 -3.790 385 1HG PRO 60 2HG PRO 60 -6.354 2.133 -2.752 386 2HG PRO 60 1HG PRO 60 -5.873 2.408 -4.428 387 1HD PRO 60 2HD PRO 60 -5.251 0.168 -3.003 388 2HD PRO 60 1HD PRO 60 -4.280 0.741 -4.319 389 H ILE 61 H ILE 61 -2.407 4.120 -0.270 390 HA ILE 61 HA ILE 61 -4.059 3.106 1.986 391 HB ILE 61 HB ILE 61 -1.788 2.933 2.551 392 1HG1 ILE 61 2HG1 ILE 61 -1.419 4.518 4.331 393 2HG1 ILE 61 1HG1 ILE 61 -2.473 5.720 3.593 394 1HG2 ILE 61 1HG2 ILE 61 -0.275 5.051 2.203 395 2HG2 ILE 61 2HG2 ILE 61 -1.519 5.501 1.041 396 3HG2 ILE 61 3HG2 ILE 61 -0.671 3.997 0.884 397 1HD1 ILE 61 1HD1 ILE 61 -4.042 3.422 3.855 398 2HD1 ILE 61 2HD1 ILE 61 -4.126 4.857 4.820 399 3HD1 ILE 61 3HD1 ILE 61 -3.131 3.524 5.320 400 H LEU 62 H LEU 62 -5.565 4.444 2.966 401 HA LEU 62 HA LEU 62 -5.491 7.359 2.256 402 1HB LEU 62 2HB LEU 62 -8.086 5.996 2.909 403 2HB LEU 62 1HB LEU 62 -7.749 7.349 1.817 404 HG LEU 62 HG LEU 62 -7.168 4.412 1.303 405 1HD1 LEU 62 1HD1 LEU 62 -8.929 6.431 -0.113 406 2HD1 LEU 62 2HD1 LEU 62 -9.490 5.123 0.926 407 3HD1 LEU 62 3HD1 LEU 62 -8.682 4.750 -0.592 408 1HD2 LEU 62 1HD2 LEU 62 -5.828 6.799 0.263 409 2HD2 LEU 62 2HD2 LEU 62 -6.682 5.951 -0.997 410 3HD2 LEU 62 3HD2 LEU 62 -5.512 5.095 -0.048 411 H SER 63 H SER 63 -6.648 8.720 3.902 412 HA SER 63 HA SER 63 -6.308 7.547 6.651 413 1HB SER 63 2HB SER 63 -4.602 9.147 6.311 414 2HB SER 63 1HB SER 63 -5.708 10.349 5.629 415 HG SER 63 HG SER 63 -5.411 10.874 7.773 416 H SER 64 H SER 64 -8.744 7.465 5.087 417 HA SER 64 HA SER 64 -10.438 9.218 6.825 418 1HB SER 64 2HB SER 64 -10.110 9.414 3.984 419 2HB SER 64 1HB SER 64 -11.735 8.799 4.283 420 HG SER 64 HG SER 64 -12.205 10.585 5.458 421 H GLY 65 H GLY 65 -12.905 8.353 6.199 422 1HA GLY 65 2HA GLY 65 -12.808 5.490 7.036 423 2HA GLY 65 1HA GLY 65 -14.191 6.574 7.153 424 H ASP 66 H ASP 66 -12.095 5.714 4.370 425 HA ASP 66 HA ASP 66 -14.402 4.390 3.090 426 1HB ASP 66 2HB ASP 66 -14.215 7.040 2.613 427 2HB ASP 66 1HB ASP 66 -13.041 6.493 1.412 428 H VAL 67 H VAL 67 -13.762 2.977 1.415 429 HA VAL 67 HA VAL 67 -10.857 2.328 1.448 430 HB VAL 67 HB VAL 67 -13.227 0.867 0.223 431 1HG1 VAL 67 1HG1 VAL 67 -11.640 -1.002 0.008 432 2HG1 VAL 67 2HG1 VAL 67 -10.365 0.010 0.654 433 3HG1 VAL 67 3HG1 VAL 67 -11.084 0.382 -0.911 434 1HG2 VAL 67 1HG2 VAL 67 -11.635 0.382 2.766 435 2HG2 VAL 67 2HG2 VAL 67 -12.892 -0.680 2.126 436 3HG2 VAL 67 3HG2 VAL 67 -13.308 0.939 2.678 437 H TYR 68 H TYR 68 -9.655 2.162 -0.545 438 HA TYR 68 HA TYR 68 -10.137 4.233 -2.406 439 1HB TYR 68 2HB TYR 68 -7.926 3.081 -2.021 440 2HB TYR 68 1HB TYR 68 -8.510 1.714 -2.987 441 HD1 TYR 68 1HD TYR 68 -7.401 5.205 -3.040 442 HD2 TYR 68 2HD TYR 68 -9.011 1.987 -5.381 443 HE1 TYR 68 1HE TYR 68 -6.846 6.429 -5.107 444 HE2 TYR 68 2HE TYR 68 -8.442 3.212 -7.461 445 HH TYR 68 HH TYR 68 -8.079 5.839 -8.050 446 H SER 69 H SER 69 -11.385 4.319 -4.218 447 HA SER 69 HA SER 69 -12.206 1.862 -5.623 448 1HB SER 69 2HB SER 69 -13.824 2.371 -3.618 449 2HB SER 69 1HB SER 69 -14.437 3.658 -4.661 450 HG SER 69 HG SER 69 -15.086 2.161 -6.129 451 H GLY 70 H GLY 70 -10.825 4.600 -6.023 452 1HA GLY 70 2HA GLY 70 -10.697 5.402 -8.358 453 2HA GLY 70 1HA GLY 70 -12.455 5.423 -8.404 454 H GLY 71 H GLY 71 -9.617 7.059 -7.205 455 1HA GLY 71 2HA GLY 71 -11.105 9.579 -7.022 456 2HA GLY 71 1HA GLY 71 -10.585 8.964 -5.449 457 H SER 72 H SER 72 -8.097 7.819 -6.260 458 HA SER 72 HA SER 72 -6.563 9.924 -7.598 459 1HB SER 72 2HB SER 72 -5.252 10.602 -5.757 460 2HB SER 72 1HB SER 72 -6.909 10.614 -5.142 461 HG SER 72 HG SER 72 -6.526 8.762 -4.037 462 HA PRO 73 HA PRO 73 -4.713 5.802 -8.197 463 1HB PRO 73 2HB PRO 73 -3.653 6.401 -10.661 464 2HB PRO 73 1HB PRO 73 -5.313 5.868 -10.398 465 1HG PRO 73 2HG PRO 73 -4.301 8.623 -10.996 466 2HG PRO 73 1HG PRO 73 -5.864 7.894 -11.402 467 1HD PRO 73 2HD PRO 73 -5.381 9.690 -9.282 468 2HD PRO 73 1HD PRO 73 -6.826 8.677 -9.465 469 H GLY 74 H GLY 74 -2.905 5.579 -6.953 470 1HA GLY 74 2HA GLY 74 -0.466 5.660 -6.965 471 2HA GLY 74 1HA GLY 74 -0.512 7.283 -7.609 472 H ALA 75 H ALA 75 0.009 8.764 -6.055 473 HA ALA 75 HA ALA 75 0.253 9.722 -3.944 474 1HB ALA 75 1HB ALA 75 -2.227 9.910 -4.384 475 2HB ALA 75 2HB ALA 75 -1.783 9.916 -2.682 476 3HB ALA 75 3HB ALA 75 -2.456 8.459 -3.412 477 H ASP 76 H ASP 76 -0.295 9.043 -1.426 478 HA ASP 76 HA ASP 76 1.571 7.286 -0.544 479 1HB ASP 76 2HB ASP 76 -1.219 7.523 0.643 480 2HB ASP 76 1HB ASP 76 0.228 6.958 1.492 481 H ARG 77 H ARG 77 1.816 5.080 -0.224 482 HA ARG 77 HA ARG 77 -0.391 3.224 -0.859 483 1HB ARG 77 2HB ARG 77 0.923 3.947 -3.024 484 2HB ARG 77 1HB ARG 77 2.180 2.864 -2.418 485 1HG ARG 77 2HG ARG 77 0.615 1.004 -2.356 486 2HG ARG 77 1HG ARG 77 -0.708 2.083 -2.823 487 1HD ARG 77 2HD ARG 77 1.362 2.445 -4.742 488 2HD ARG 77 1HD ARG 77 1.145 0.713 -4.516 489 HE ARG 77 HE ARG 77 -1.168 1.009 -4.829 490 1HH1 ARG 77 1HH2 ARG 77 0.067 0.037 -6.907 491 2HH1 ARG 77 2HH2 ARG 77 -0.113 1.078 -8.274 492 1HH2 ARG 77 1HH1 ARG 77 -1.085 3.822 -6.381 493 2HH2 ARG 77 2HH1 ARG 77 -0.747 3.240 -7.976 494 H VAL 78 H VAL 78 -0.126 1.386 0.407 495 HA VAL 78 HA VAL 78 2.554 1.063 1.725 496 HB VAL 78 HB VAL 78 0.813 1.832 3.289 497 1HG1 VAL 78 1HG1 VAL 78 -1.132 0.519 3.745 498 2HG1 VAL 78 2HG1 VAL 78 -0.612 -0.785 2.697 499 3HG1 VAL 78 3HG1 VAL 78 -1.110 0.758 2.009 500 1HG2 VAL 78 1HG2 VAL 78 1.528 -1.088 3.743 501 2HG2 VAL 78 2HG2 VAL 78 1.161 0.124 4.966 502 3HG2 VAL 78 3HG2 VAL 78 2.614 0.272 3.999 503 H VAL 79 H VAL 79 3.533 -0.871 1.447 504 HA VAL 79 HA VAL 79 2.079 -2.973 -0.027 505 HB VAL 79 HB VAL 79 4.979 -2.500 0.665 506 1HG1 VAL 79 1HG1 VAL 79 5.526 -4.661 -0.354 507 2HG1 VAL 79 2HG1 VAL 79 3.821 -5.012 -0.541 508 3HG1 VAL 79 3HG1 VAL 79 4.517 -4.912 1.038 509 1HG2 VAL 79 1HG2 VAL 79 5.229 -2.097 -1.556 510 2HG2 VAL 79 2HG2 VAL 79 3.527 -1.688 -1.462 511 3HG2 VAL 79 3HG2 VAL 79 4.016 -3.277 -2.049 512 H PHE 80 H PHE 80 2.285 -5.206 0.664 513 HA PHE 80 HA PHE 80 2.839 -5.732 3.478 514 1HB PHE 80 2HB PHE 80 0.520 -6.421 3.982 515 2HB PHE 80 1HB PHE 80 0.610 -4.722 3.545 516 HD1 PHE 80 1HD PHE 80 -0.777 -7.941 2.705 517 HD2 PHE 80 2HD PHE 80 -0.012 -3.990 1.205 518 HE1 PHE 80 1HE PHE 80 -2.470 -8.290 0.927 519 HE2 PHE 80 2HE PHE 80 -1.706 -4.336 -0.571 520 HZ PHE 80 HZ PHE 80 -2.935 -6.486 -0.713 521 H ASN 81 H ASN 81 1.563 -8.192 3.685 522 HA ASN 81 HA ASN 81 2.659 -9.651 1.305 523 1HB ASN 81 2HB ASN 81 3.495 -11.352 2.741 524 2HB ASN 81 1HB ASN 81 4.038 -9.811 3.413 525 1HD2 ASN 81 1HD2 ASN 81 2.412 -8.904 5.162 526 2HD2 ASN 81 2HD2 ASN 81 1.731 -10.089 6.201 527 H GLU 82 H GLU 82 0.291 -9.835 3.943 528 HA GLU 82 HA GLU 82 -1.919 -10.558 2.561 529 1HB GLU 82 2HB GLU 82 -1.906 -13.144 2.789 530 2HB GLU 82 1HB GLU 82 -0.979 -12.452 1.465 531 1HG GLU 82 2HG GLU 82 0.923 -12.500 3.426 532 2HG GLU 82 1HG GLU 82 -0.073 -13.833 3.920 533 H ASN 83 H ASN 83 0.053 -11.016 5.366 534 HA ASN 83 HA ASN 83 -2.247 -11.812 7.027 535 1HB ASN 83 2HB ASN 83 0.701 -11.891 7.270 536 2HB ASN 83 1HB ASN 83 -0.080 -11.301 8.736 537 1HD2 ASN 83 1HD2 ASN 83 0.580 -13.336 9.768 538 2HD2 ASN 83 2HD2 ASN 83 -0.345 -14.762 9.462 539 H ASN 84 H ASN 84 -1.810 -9.130 5.583 540 HA ASN 84 HA ASN 84 -2.301 -6.953 5.983 541 1HB ASN 84 2HB ASN 84 -3.044 -7.214 8.831 542 2HB ASN 84 1HB ASN 84 -3.980 -6.600 7.464 543 1HD2 ASN 84 1HD2 ASN 84 -4.683 -8.580 9.667 544 2HD2 ASN 84 2HD2 ASN 84 -5.265 -9.953 8.794 545 H GLN 85 H GLN 85 0.265 -8.475 7.209 546 HA GLN 85 HA GLN 85 1.172 -6.806 9.331 547 1HB GLN 85 2HB GLN 85 2.354 -8.776 7.467 548 2HB GLN 85 1HB GLN 85 3.506 -7.597 8.020 549 1HG GLN 85 2HG GLN 85 2.961 -8.088 10.337 550 2HG GLN 85 1HG GLN 85 1.729 -9.251 9.818 551 1HE2 GLN 85 1HE2 GLN 85 4.139 -9.858 11.406 552 2HE2 GLN 85 2HE2 GLN 85 5.043 -10.980 10.452 553 H LEU 86 H LEU 86 3.679 -5.743 8.263 554 HA LEU 86 HA LEU 86 2.676 -3.888 6.188 555 1HB LEU 86 2HB LEU 86 2.827 -3.166 8.877 556 2HB LEU 86 1HB LEU 86 4.371 -2.592 8.249 557 HG LEU 86 HG LEU 86 2.737 -0.813 7.993 558 1HD1 LEU 86 1HD1 LEU 86 3.197 -0.298 5.807 559 2HD1 LEU 86 2HD1 LEU 86 2.952 -1.945 5.207 560 3HD1 LEU 86 3HD1 LEU 86 4.415 -1.512 6.086 561 1HD2 LEU 86 1HD2 LEU 86 0.687 -1.110 6.766 562 2HD2 LEU 86 2HD2 LEU 86 0.743 -2.356 8.010 563 3HD2 LEU 86 3HD2 LEU 86 1.113 -2.758 6.338 564 H ALA 87 H ALA 87 4.024 -3.937 4.528 565 HA ALA 87 HA ALA 87 6.805 -4.849 4.875 566 1HB ALA 87 1HB ALA 87 5.290 -5.438 2.914 567 2HB ALA 87 2HB ALA 87 6.917 -4.843 2.501 568 3HB ALA 87 3HB ALA 87 5.530 -3.783 2.380 569 H GLY 88 H GLY 88 5.061 -1.910 3.909 570 1HA GLY 88 2HA GLY 88 6.784 -0.071 5.135 571 2HA GLY 88 1HA GLY 88 7.446 -0.316 3.517 572 H VAL 89 H VAL 89 6.419 2.202 4.273 573 HA VAL 89 HA VAL 89 3.848 2.299 2.717 574 HB VAL 89 HB VAL 89 4.872 4.136 4.864 575 1HG1 VAL 89 1HG1 VAL 89 2.487 4.320 3.025 576 2HG1 VAL 89 2HG1 VAL 89 3.769 5.514 3.251 577 3HG1 VAL 89 3HG1 VAL 89 2.601 5.230 4.530 578 1HG2 VAL 89 1HG2 VAL 89 3.893 2.044 5.716 579 2HG2 VAL 89 2HG2 VAL 89 2.493 2.296 4.697 580 3HG2 VAL 89 3HG2 VAL 89 2.782 3.376 6.018 581 H ILE 90 H ILE 90 4.628 2.678 0.697 582 HA ILE 90 HA ILE 90 6.747 4.679 0.247 583 HB ILE 90 HB ILE 90 6.326 4.013 -2.215 584 1HG1 ILE 90 2HG1 ILE 90 4.005 2.945 -1.299 585 2HG1 ILE 90 1HG1 ILE 90 4.797 2.339 -2.701 586 1HG2 ILE 90 1HG2 ILE 90 8.233 3.120 -1.258 587 2HG2 ILE 90 2HG2 ILE 90 7.406 1.703 -1.748 588 3HG2 ILE 90 3HG2 ILE 90 7.378 2.198 -0.061 589 1HD1 ILE 90 1HD1 ILE 90 5.520 1.176 -0.023 590 2HD1 ILE 90 2HD1 ILE 90 5.674 0.484 -1.632 591 3HD1 ILE 90 3HD1 ILE 90 4.092 0.666 -0.903 592 H THR 91 H THR 91 6.046 6.019 -2.010 593 HA THR 91 HA THR 91 3.300 7.052 -1.690 594 HB THR 91 HB THR 91 4.919 8.328 -0.171 595 HG1 THR 91 1HG THR 91 3.028 9.346 -0.597 596 1HG2 THR 91 1HG2 THR 91 6.694 8.351 -2.083 597 2HG2 THR 91 2HG2 THR 91 6.496 9.771 -1.070 598 3HG2 THR 91 3HG2 THR 91 5.760 9.740 -2.654 599 H HIS 92 H HIS 92 2.487 7.224 -3.687 600 HA HIS 92 HA HIS 92 4.186 7.215 -6.033 601 1HB HIS 92 2HB HIS 92 1.366 6.902 -5.422 602 2HB HIS 92 1HB HIS 92 1.604 7.678 -6.956 603 HD1 HIS 92 1HD HIS 92 4.004 6.160 -7.987 604 HD2 HIS 92 2HD HIS 92 0.914 4.307 -5.994 605 HE1 HIS 92 1HE HIS 92 4.069 3.771 -8.733 606 HE2 HIS 92 2HE HIS 92 2.343 2.583 -7.305 607 H THR 93 H THR 93 5.302 9.291 -5.551 608 HA THR 93 HA THR 93 4.316 11.452 -7.084 609 HB THR 93 HB THR 93 2.750 11.368 -4.850 610 HG1 THR 93 1HG THR 93 3.726 13.743 -6.084 611 1HG2 THR 93 1HG2 THR 93 3.491 12.831 -3.170 612 2HG2 THR 93 2HG2 THR 93 4.919 13.306 -4.071 613 3HG2 THR 93 3HG2 THR 93 4.796 11.675 -3.391 614 H GLY 94 H GLY 94 6.374 10.382 -4.444 615 1HA GLY 94 2HA GLY 94 8.084 12.599 -4.207 616 2HA GLY 94 1HA GLY 94 8.574 10.927 -3.934 617 H ALA 95 H ALA 95 7.644 10.470 -6.909 618 HA ALA 95 HA ALA 95 10.130 11.580 -8.154 619 1HB ALA 95 1HB ALA 95 9.314 9.257 -9.540 620 2HB ALA 95 2HB ALA 95 9.298 8.870 -7.805 621 3HB ALA 95 3HB ALA 95 10.738 9.491 -8.556 622 H SER 96 H SER 96 9.822 11.342 -10.695 623 HA SER 96 HA SER 96 8.043 13.219 -11.624 624 1HB SER 96 2HB SER 96 8.647 12.524 -13.720 625 2HB SER 96 1HB SER 96 9.764 11.463 -12.858 626 HG SER 96 HG SER 96 8.378 9.784 -13.111 627 H GLY 97 H GLY 97 5.898 13.069 -12.686 628 1HA GLY 97 2HA GLY 97 3.622 12.508 -12.435 629 2HA GLY 97 1HA GLY 97 4.197 10.887 -12.830 630 H ASN 98 H ASN 98 4.471 9.372 -11.144 631 HA ASN 98 HA ASN 98 3.701 10.325 -8.415 632 1HB ASN 98 2HB ASN 98 2.892 7.603 -8.712 633 2HB ASN 98 1HB ASN 98 1.905 9.010 -8.421 634 1HD2 ASN 98 1HD2 ASN 98 0.824 9.983 -10.200 635 2HD2 ASN 98 2HD2 ASN 98 0.759 9.196 -11.736 636 H ASN 99 H ASN 99 4.708 7.160 -9.755 637 HA ASN 99 HA ASN 99 6.428 5.758 -9.115 638 1HB ASN 99 2HB ASN 99 7.598 8.492 -8.916 639 2HB ASN 99 1HB ASN 99 8.505 7.182 -8.144 640 1HD2 ASN 99 1HD2 ASN 99 6.514 6.935 -11.106 641 2HD2 ASN 99 2HD2 ASN 99 7.852 6.516 -12.095 642 H PHE 100 H PHE 100 6.291 4.512 -7.302 643 HA PHE 100 HA PHE 100 5.695 5.864 -4.745 644 1HB PHE 100 2HB PHE 100 4.832 3.823 -3.955 645 2HB PHE 100 1HB PHE 100 4.215 4.025 -5.574 646 HD1 PHE 100 1HD PHE 100 6.527 2.103 -3.491 647 HD2 PHE 100 2HD PHE 100 5.078 2.668 -7.442 648 HE1 PHE 100 1HE PHE 100 7.469 -0.059 -4.117 649 HE2 PHE 100 2HE PHE 100 6.036 0.506 -8.116 650 HZ PHE 100 HZ PHE 100 7.235 -0.846 -6.460 651 H VAL 101 H VAL 101 7.355 6.274 -3.409 652 HA VAL 101 HA VAL 101 9.563 4.255 -3.232 653 HB VAL 101 HB VAL 101 11.152 6.072 -2.957 654 1HG1 VAL 101 1HG1 VAL 101 10.357 5.309 -5.301 655 2HG1 VAL 101 2HG1 VAL 101 11.192 6.863 -5.199 656 3HG1 VAL 101 3HG1 VAL 101 9.438 6.808 -5.339 657 1HG2 VAL 101 1HG2 VAL 101 10.393 8.428 -3.267 658 2HG2 VAL 101 2HG2 VAL 101 9.726 7.699 -1.819 659 3HG2 VAL 101 3HG2 VAL 101 8.723 7.876 -3.258 660 H GLU 102 H GLU 102 10.592 4.229 -1.085 661 HA GLU 102 HA GLU 102 8.888 4.031 1.067 662 1HB GLU 102 2HB GLU 102 10.858 4.347 2.542 663 2HB GLU 102 1HB GLU 102 11.253 3.323 1.156 664 1HG GLU 102 2HG GLU 102 12.504 4.951 0.096 665 2HG GLU 102 1HG GLU 102 11.752 6.289 0.947 666 H CYS 103 H CYS 103 7.959 5.459 2.546 667 HA CYS 103 HA CYS 103 7.859 8.238 1.735 668 1HB CYS 103 2HB CYS 103 6.367 6.496 3.561 669 2HB CYS 103 1HB CYS 103 6.695 8.040 4.320 670 H THR 104 H THR 104 8.048 9.932 3.707 671 HA THR 104 HA THR 104 10.528 9.315 5.247 672 HB THR 104 HB THR 104 11.092 11.840 4.717 673 HG1 THR 104 1HG THR 104 9.315 12.480 3.596 674 1HG2 THR 104 1HG2 THR 104 12.437 9.923 3.967 675 2HG2 THR 104 2HG2 THR 104 12.325 11.164 2.721 676 3HG2 THR 104 3HG2 THR 104 11.352 9.701 2.591 Start of MODEL 3 1 1H ALA 1 1HT ALA 1 2.578 11.864 16.861 2 2H ALA 1 2HT ALA 1 4.055 10.986 16.949 3 3H ALA 1 3HT ALA 1 2.916 10.875 18.224 4 HA ALA 1 HA ALA 1 2.873 8.911 16.862 5 1HB ALA 1 1HB ALA 1 0.356 10.472 16.269 6 2HB ALA 1 2HB ALA 1 0.785 10.031 17.920 7 3HB ALA 1 3HB ALA 1 0.537 8.773 16.717 8 H CYS 2 H CYS 2 1.073 8.650 14.691 9 HA CYS 2 HA CYS 2 1.387 8.375 12.423 10 1HB CYS 2 2HB CYS 2 1.104 10.532 11.208 11 2HB CYS 2 1HB CYS 2 -0.063 10.338 12.512 12 H ASP 3 H ASP 3 3.419 7.428 12.194 13 HA ASP 3 HA ASP 3 5.745 9.270 11.875 14 1HB ASP 3 2HB ASP 3 5.850 7.140 13.304 15 2HB ASP 3 1HB ASP 3 5.778 6.228 11.793 16 H TYR 4 H TYR 4 3.301 8.112 9.966 17 HA TYR 4 HA TYR 4 5.079 7.676 7.613 18 1HB TYR 4 2HB TYR 4 2.204 6.936 8.248 19 2HB TYR 4 1HB TYR 4 2.799 6.932 6.580 20 HD1 TYR 4 1HD TYR 4 5.438 5.936 6.610 21 HD2 TYR 4 2HD TYR 4 2.120 4.746 9.061 22 HE1 TYR 4 1HE TYR 4 6.486 3.722 6.947 23 HE2 TYR 4 2HE TYR 4 3.161 2.519 9.391 24 HH TYR 4 HH TYR 4 5.876 1.695 9.247 25 H THR 5 H THR 5 5.529 10.006 7.581 26 HA THR 5 HA THR 5 3.288 11.782 6.922 27 HB THR 5 HB THR 5 6.265 12.369 6.799 28 HG1 THR 5 1HG THR 5 6.107 12.898 8.917 29 1HG2 THR 5 1HG2 THR 5 5.418 14.698 7.209 30 2HG2 THR 5 2HG2 THR 5 3.782 14.105 6.938 31 3HG2 THR 5 3HG2 THR 5 4.972 14.034 5.637 32 H CYS 6 H CYS 6 2.466 11.013 4.911 33 HA CYS 6 HA CYS 6 4.387 11.225 2.608 34 1HB CYS 6 2HB CYS 6 1.868 9.573 2.487 35 2HB CYS 6 1HB CYS 6 3.371 9.398 1.567 36 H GLY 7 H GLY 7 3.481 12.121 0.643 37 1HA GLY 7 2HA GLY 7 2.339 13.906 -0.385 38 2HA GLY 7 1HA GLY 7 0.911 13.016 0.148 39 H SER 8 H SER 8 3.203 14.335 2.481 40 HA SER 8 HA SER 8 2.990 16.040 4.017 41 1HB SER 8 2HB SER 8 0.708 17.241 2.426 42 2HB SER 8 1HB SER 8 1.985 18.040 3.344 43 HG SER 8 HG SER 8 3.397 17.693 1.736 44 H ASN 9 H ASN 9 1.754 13.710 4.692 45 HA ASN 9 HA ASN 9 -0.623 14.711 6.185 46 1HB ASN 9 2HB ASN 9 -0.598 12.248 4.399 47 2HB ASN 9 1HB ASN 9 -1.844 12.574 5.609 48 1HD2 ASN 9 1HD2 ASN 9 -3.154 14.553 5.314 49 2HD2 ASN 9 2HD2 ASN 9 -3.339 15.191 3.716 50 H CYS 10 H CYS 10 -0.436 14.115 8.273 51 HA CYS 10 HA CYS 10 1.668 12.204 9.030 52 1HB CYS 10 2HB CYS 10 0.667 14.467 10.222 53 2HB CYS 10 1HB CYS 10 -0.188 13.234 11.146 54 H TYR 11 H TYR 11 0.728 10.271 8.095 55 HA TYR 11 HA TYR 11 -1.892 9.345 9.063 56 1HB TYR 11 2HB TYR 11 0.268 8.257 7.244 57 2HB TYR 11 1HB TYR 11 -0.938 7.139 7.903 58 HD1 TYR 11 1HD TYR 11 -2.042 10.586 7.458 59 HD2 TYR 11 2HD TYR 11 -1.640 6.765 5.518 60 HE1 TYR 11 1HE TYR 11 -3.659 11.290 5.764 61 HE2 TYR 11 2HE TYR 11 -3.272 7.488 3.798 62 HH TYR 11 HH TYR 11 -4.014 10.154 2.936 63 H SER 12 H SER 12 -2.295 7.897 10.656 64 HA SER 12 HA SER 12 -0.166 7.450 12.605 65 1HB SER 12 2HB SER 12 -2.699 7.915 13.013 66 2HB SER 12 1HB SER 12 -2.876 6.178 12.808 67 HG SER 12 HG SER 12 -2.467 6.563 14.960 68 H SER 13 H SER 13 1.167 5.697 12.582 69 HA SER 13 HA SER 13 1.179 3.663 10.693 70 1HB SER 13 2HB SER 13 2.083 2.335 12.971 71 2HB SER 13 1HB SER 13 3.059 3.360 11.913 72 HG SER 13 HG SER 13 3.048 4.897 13.377 73 H SER 14 H SER 14 -0.949 4.004 13.458 74 HA SER 14 HA SER 14 -1.852 1.234 13.397 75 1HB SER 14 2HB SER 14 -1.847 2.851 15.413 76 2HB SER 14 1HB SER 14 -3.314 3.541 14.710 77 HG SER 14 HG SER 14 -3.549 1.712 16.256 78 H ASP 15 H ASP 15 -3.099 4.378 12.242 79 HA ASP 15 HA ASP 15 -5.591 3.297 11.296 80 1HB ASP 15 2HB ASP 15 -5.120 5.766 11.661 81 2HB ASP 15 1HB ASP 15 -4.118 5.739 10.204 82 H VAL 16 H VAL 16 -2.347 3.474 10.071 83 HA VAL 16 HA VAL 16 -2.975 2.905 7.322 84 HB VAL 16 HB VAL 16 -0.398 2.004 8.614 85 1HG1 VAL 16 1HG1 VAL 16 -0.488 3.674 6.166 86 2HG1 VAL 16 2HG1 VAL 16 -1.289 2.128 6.009 87 3HG1 VAL 16 3HG1 VAL 16 0.405 2.195 6.477 88 1HG2 VAL 16 1HG2 VAL 16 -0.385 4.020 9.611 89 2HG2 VAL 16 2HG2 VAL 16 -1.459 4.806 8.489 90 3HG2 VAL 16 3HG2 VAL 16 0.229 4.539 8.077 91 H SER 17 H SER 17 -2.571 0.990 10.233 92 HA SER 17 HA SER 17 -2.242 -1.574 9.064 93 1HB SER 17 2HB SER 17 -1.957 -1.021 11.493 94 2HB SER 17 1HB SER 17 -3.715 -0.944 11.636 95 HG SER 17 HG SER 17 -2.059 -3.162 11.198 96 H THR 18 H THR 18 -5.178 0.216 10.057 97 HA THR 18 HA THR 18 -7.073 -1.772 9.343 98 HB THR 18 HB THR 18 -8.336 0.650 8.696 99 HG1 THR 18 1HG THR 18 -7.386 2.219 9.843 100 1HG2 THR 18 1HG2 THR 18 -9.114 -1.072 10.297 101 2HG2 THR 18 2HG2 THR 18 -9.213 0.561 10.956 102 3HG2 THR 18 3HG2 THR 18 -7.909 -0.512 11.460 103 H ALA 19 H ALA 19 -6.038 1.051 7.403 104 HA ALA 19 HA ALA 19 -7.240 0.137 4.969 105 1HB ALA 19 1HB ALA 19 -5.598 1.710 3.886 106 2HB ALA 19 2HB ALA 19 -4.873 1.911 5.488 107 3HB ALA 19 3HB ALA 19 -6.525 2.446 5.198 108 H GLN 20 H GLN 20 -4.463 -0.905 6.707 109 HA GLN 20 HA GLN 20 -2.980 -1.992 4.501 110 1HB GLN 20 2HB GLN 20 -2.651 -1.745 7.319 111 2HB GLN 20 1HB GLN 20 -2.454 -3.424 6.965 112 1HG GLN 20 2HG GLN 20 -0.336 -2.745 6.596 113 2HG GLN 20 1HG GLN 20 -0.955 -2.389 4.985 114 1HE2 GLN 20 1HE2 GLN 20 -0.070 -0.949 8.067 115 2HE2 GLN 20 2HE2 GLN 20 0.230 0.572 7.410 116 H ALA 21 H ALA 21 -5.515 -3.127 6.664 117 HA ALA 21 HA ALA 21 -5.408 -5.867 5.578 118 1HB ALA 21 1HB ALA 21 -7.248 -4.500 7.553 119 2HB ALA 21 2HB ALA 21 -5.950 -5.637 7.915 120 3HB ALA 21 3HB ALA 21 -7.397 -6.196 7.078 121 H ALA 22 H ALA 22 -6.518 -2.974 4.402 122 HA ALA 22 HA ALA 22 -9.138 -3.801 3.453 123 1HB ALA 22 1HB ALA 22 -8.600 -1.434 3.906 124 2HB ALA 22 2HB ALA 22 -9.082 -1.676 2.229 125 3HB ALA 22 3HB ALA 22 -7.381 -1.462 2.632 126 H GLY 23 H GLY 23 -6.094 -2.904 1.736 127 1HA GLY 23 2HA GLY 23 -6.860 -4.072 -0.756 128 2HA GLY 23 1HA GLY 23 -5.205 -3.758 -0.251 129 H TYR 24 H TYR 24 -5.871 -5.500 2.236 130 HA TYR 24 HA TYR 24 -4.862 -7.958 1.044 131 1HB TYR 24 2HB TYR 24 -3.934 -7.345 3.180 132 2HB TYR 24 1HB TYR 24 -5.543 -7.129 3.881 133 HD1 TYR 24 1HD TYR 24 -5.374 -8.716 5.670 134 HD2 TYR 24 2HD TYR 24 -4.551 -9.909 1.620 135 HE1 TYR 24 1HE TYR 24 -5.392 -11.099 6.358 136 HE2 TYR 24 2HE TYR 24 -4.579 -12.275 2.304 137 HH TYR 24 HH TYR 24 -5.906 -13.474 4.832 138 H GLN 25 H GLN 25 -7.613 -7.325 3.265 139 HA GLN 25 HA GLN 25 -8.954 -9.731 2.924 140 1HB GLN 25 2HB GLN 25 -9.547 -7.262 4.100 141 2HB GLN 25 1HB GLN 25 -10.836 -7.449 2.918 142 1HG GLN 25 2HG GLN 25 -11.471 -9.569 3.832 143 2HG GLN 25 1HG GLN 25 -10.057 -9.609 4.897 144 1HE2 GLN 25 1HE2 GLN 25 -13.305 -8.465 4.583 145 2HE2 GLN 25 2HE2 GLN 25 -13.335 -7.590 6.071 146 H LEU 26 H LEU 26 -9.443 -6.778 0.955 147 HA LEU 26 HA LEU 26 -11.286 -7.935 -0.857 148 1HB LEU 26 2HB LEU 26 -11.085 -5.583 -0.941 149 2HB LEU 26 1HB LEU 26 -9.323 -5.643 -1.060 150 HG LEU 26 HG LEU 26 -9.380 -6.346 -3.343 151 1HD1 LEU 26 1HD1 LEU 26 -11.884 -7.574 -2.606 152 2HD1 LEU 26 2HD1 LEU 26 -10.973 -7.719 -4.095 153 3HD1 LEU 26 3HD1 LEU 26 -12.161 -6.455 -3.910 154 1HD2 LEU 26 1HD2 LEU 26 -9.971 -3.947 -2.916 155 2HD2 LEU 26 2HD2 LEU 26 -11.673 -4.394 -3.036 156 3HD2 LEU 26 3HD2 LEU 26 -10.610 -4.593 -4.429 157 H HIS 27 H HIS 27 -7.723 -7.891 -0.867 158 HA HIS 27 HA HIS 27 -7.469 -9.074 -3.479 159 1HB HIS 27 2HB HIS 27 -5.594 -7.911 -2.347 160 2HB HIS 27 1HB HIS 27 -5.497 -9.211 -1.155 161 HD1 HIS 27 1HD HIS 27 -5.766 -9.161 -4.971 162 HD2 HIS 27 2HD HIS 27 -3.478 -10.893 -1.943 163 HE1 HIS 27 1HE HIS 27 -4.119 -10.699 -6.113 164 HE2 HIS 27 2HE HIS 27 -3.048 -12.016 -4.251 165 H GLU 28 H GLU 28 -8.284 -10.418 -0.373 166 HA GLU 28 HA GLU 28 -7.494 -13.132 -1.149 167 1HB GLU 28 2HB GLU 28 -7.280 -12.565 1.201 168 2HB GLU 28 1HB GLU 28 -8.964 -12.029 1.259 169 1HG GLU 28 2HG GLU 28 -8.894 -14.207 2.211 170 2HG GLU 28 1HG GLU 28 -9.664 -14.399 0.654 171 H ASP 29 H ASP 29 -10.301 -11.075 -1.334 172 HA ASP 29 HA ASP 29 -12.127 -13.364 -1.722 173 1HB ASP 29 2HB ASP 29 -12.781 -11.194 -0.543 174 2HB ASP 29 1HB ASP 29 -12.740 -10.409 -2.126 175 H GLY 30 H GLY 30 -9.996 -11.470 -3.618 176 1HA GLY 30 2HA GLY 30 -9.578 -11.584 -5.912 177 2HA GLY 30 1HA GLY 30 -10.868 -12.779 -6.061 178 H GLU 31 H GLU 31 -12.162 -10.188 -4.397 179 HA GLU 31 HA GLU 31 -13.782 -9.411 -6.615 180 1HB GLU 31 2HB GLU 31 -14.141 -9.288 -3.956 181 2HB GLU 31 1HB GLU 31 -13.557 -7.666 -4.164 182 1HG GLU 31 2HG GLU 31 -15.952 -7.658 -4.337 183 2HG GLU 31 1HG GLU 31 -15.282 -7.280 -5.925 184 H THR 32 H THR 32 -13.619 -6.433 -5.790 185 HA THR 32 HA THR 32 -11.013 -5.555 -6.559 186 HB THR 32 HB THR 32 -12.840 -4.598 -8.672 187 HG1 THR 32 1HG THR 32 -13.263 -6.513 -9.638 188 1HG2 THR 32 1HG2 THR 32 -10.113 -5.112 -8.275 189 2HG2 THR 32 2HG2 THR 32 -10.917 -4.495 -9.722 190 3HG2 THR 32 3HG2 THR 32 -10.617 -6.225 -9.552 191 H VAL 33 H VAL 33 -11.461 -3.051 -7.438 192 HA VAL 33 HA VAL 33 -13.156 -1.888 -5.248 193 HB VAL 33 HB VAL 33 -11.729 0.213 -5.834 194 1HG1 VAL 33 1HG1 VAL 33 -11.468 -1.045 -3.770 195 2HG1 VAL 33 2HG1 VAL 33 -9.880 -0.618 -4.404 196 3HG1 VAL 33 3HG1 VAL 33 -10.495 -2.252 -4.596 197 1HG2 VAL 33 1HG2 VAL 33 -9.691 -0.168 -6.988 198 2HG2 VAL 33 2HG2 VAL 33 -10.855 -0.982 -7.996 199 3HG2 VAL 33 3HG2 VAL 33 -9.840 -1.898 -6.901 200 H GLY 34 H GLY 34 -12.234 0.283 -7.804 201 1HA GLY 34 2HA GLY 34 -15.008 0.736 -8.461 202 2HA GLY 34 1HA GLY 34 -13.607 1.552 -9.158 203 H SER 35 H SER 35 -12.203 -0.782 -10.029 204 HA SER 35 HA SER 35 -13.527 -2.697 -11.487 205 1HB SER 35 2HB SER 35 -14.923 -1.301 -12.740 206 2HB SER 35 1HB SER 35 -13.725 0.002 -12.820 207 HG SER 35 HG SER 35 -14.084 -1.306 -14.789 208 H ASN 36 H ASN 36 -11.081 -0.139 -11.752 209 HA ASN 36 HA ASN 36 -9.378 -1.580 -13.583 210 1HB ASN 36 2HB ASN 36 -8.996 0.734 -11.666 211 2HB ASN 36 1HB ASN 36 -7.606 0.042 -12.516 212 1HD2 ASN 36 1HD2 ASN 36 -7.202 0.913 -14.518 213 2HD2 ASN 36 2HD2 ASN 36 -8.374 1.751 -15.470 214 H SER 37 H SER 37 -10.067 -1.962 -10.214 215 HA SER 37 HA SER 37 -9.220 -3.413 -8.659 216 1HB SER 37 2HB SER 37 -9.245 -4.978 -10.760 217 2HB SER 37 1HB SER 37 -7.534 -4.653 -10.850 218 HG SER 37 HG SER 37 -8.121 -6.538 -9.577 219 H TYR 38 H TYR 38 -7.713 -2.862 -7.184 220 HA TYR 38 HA TYR 38 -5.118 -1.783 -8.182 221 1HB TYR 38 2HB TYR 38 -7.059 -0.614 -6.479 222 2HB TYR 38 1HB TYR 38 -5.604 -0.887 -5.512 223 HD1 TYR 38 1HD TYR 38 -7.051 0.936 -8.324 224 HD2 TYR 38 2HD TYR 38 -3.419 0.022 -6.224 225 HE1 TYR 38 1HE TYR 38 -5.920 2.831 -9.455 226 HE2 TYR 38 2HE TYR 38 -2.290 1.882 -7.380 227 HH TYR 38 HH TYR 38 -3.106 3.274 -9.977 228 HA PRO 39 HA PRO 39 -3.905 -4.393 -4.353 229 1HB PRO 39 2HB PRO 39 -5.469 -6.549 -3.792 230 2HB PRO 39 1HB PRO 39 -5.677 -4.966 -3.056 231 1HG PRO 39 2HG PRO 39 -7.330 -6.291 -5.163 232 2HG PRO 39 1HG PRO 39 -7.807 -5.075 -3.965 233 1HD PRO 39 2HD PRO 39 -7.241 -4.629 -6.687 234 2HD PRO 39 1HD PRO 39 -7.440 -3.376 -5.428 235 H HIS 40 H HIS 40 -2.215 -5.101 -5.718 236 HA HIS 40 HA HIS 40 -2.534 -7.906 -6.708 237 1HB HIS 40 2HB HIS 40 -0.688 -6.555 -8.471 238 2HB HIS 40 1HB HIS 40 -2.207 -7.363 -8.870 239 HD1 HIS 40 1HD HIS 40 -4.412 -5.851 -8.520 240 HD2 HIS 40 2HD HIS 40 -0.789 -3.819 -8.834 241 HE1 HIS 40 1HE HIS 40 -4.934 -3.524 -9.200 242 HE2 HIS 40 2HE HIS 40 -2.810 -2.179 -8.954 243 H LYS 41 H LYS 41 -0.412 -9.007 -6.917 244 HA LYS 41 HA LYS 41 1.183 -8.530 -4.620 245 1HB LYS 41 2HB LYS 41 2.616 -10.287 -5.393 246 2HB LYS 41 1HB LYS 41 0.973 -10.710 -5.879 247 1HG LYS 41 2HG LYS 41 1.829 -10.984 -7.920 248 2HG LYS 41 1HG LYS 41 1.742 -9.244 -8.061 249 1HD LYS 41 2HD LYS 41 3.956 -9.426 -8.515 250 2HD LYS 41 1HD LYS 41 4.145 -9.484 -6.760 251 1HE LYS 41 2HE LYS 41 4.635 -11.700 -6.750 252 2HE LYS 41 1HE LYS 41 3.537 -12.091 -8.078 253 1HZ LYS 41 1HZ LYS 41 5.841 -12.348 -8.733 254 2HZ LYS 41 2HZ LYS 41 6.169 -10.730 -8.360 255 3HZ LYS 41 3HZ LYS 41 5.113 -11.123 -9.630 256 H TYR 42 H TYR 42 3.118 -7.432 -4.311 257 HA TYR 42 HA TYR 42 3.953 -5.675 -6.538 258 1HB TYR 42 2HB TYR 42 3.346 -4.612 -4.339 259 2HB TYR 42 1HB TYR 42 4.669 -5.498 -3.591 260 HD1 TYR 42 1HD TYR 42 6.038 -3.679 -2.924 261 HD2 TYR 42 2HD TYR 42 4.719 -4.006 -6.999 262 HE1 TYR 42 1HE TYR 42 7.645 -1.905 -3.593 263 HE2 TYR 42 2HE TYR 42 6.306 -2.248 -7.664 264 HH TYR 42 HH TYR 42 8.865 -1.263 -5.930 265 H ASN 43 H ASN 43 6.238 -5.581 -7.111 266 HA ASN 43 HA ASN 43 7.728 -8.036 -6.293 267 1HB ASN 43 2HB ASN 43 8.246 -6.251 -8.691 268 2HB ASN 43 1HB ASN 43 8.896 -7.866 -8.381 269 1HD2 ASN 43 1HD2 ASN 43 7.908 -8.546 -10.446 270 2HD2 ASN 43 2HD2 ASN 43 6.211 -8.861 -10.497 271 H ASN 44 H ASN 44 7.765 -4.600 -5.972 272 HA ASN 44 HA ASN 44 9.320 -3.174 -4.999 273 1HB ASN 44 2HB ASN 44 10.782 -5.644 -4.033 274 2HB ASN 44 1HB ASN 44 10.678 -4.053 -3.282 275 1HD2 ASN 44 1HD2 ASN 44 9.468 -7.131 -3.039 276 2HD2 ASN 44 2HD2 ASN 44 7.984 -6.765 -2.271 277 H TYR 45 H TYR 45 10.209 -2.403 -6.987 278 HA TYR 45 HA TYR 45 12.799 -3.711 -7.731 279 1HB TYR 45 2HB TYR 45 10.515 -2.704 -9.411 280 2HB TYR 45 1HB TYR 45 12.148 -2.462 -10.041 281 HD1 TYR 45 1HD TYR 45 9.488 -4.670 -10.116 282 HD2 TYR 45 2HD TYR 45 13.755 -4.602 -9.627 283 HE1 TYR 45 1HE TYR 45 9.612 -7.025 -10.882 284 HE2 TYR 45 2HE TYR 45 13.882 -6.957 -10.390 285 HH TYR 45 HH TYR 45 11.939 -8.477 -12.067 286 H GLU 46 H GLU 46 12.223 -1.516 -5.812 287 HA GLU 46 HA GLU 46 13.513 0.782 -7.205 288 1HB GLU 46 2HB GLU 46 11.828 1.760 -6.048 289 2HB GLU 46 1HB GLU 46 11.624 0.406 -4.949 290 1HG GLU 46 2HG GLU 46 12.969 1.274 -3.367 291 2HG GLU 46 1HG GLU 46 14.130 1.939 -4.522 292 H GLY 47 H GLY 47 13.682 -0.749 -4.001 293 1HA GLY 47 2HA GLY 47 16.070 -1.845 -3.713 294 2HA GLY 47 1HA GLY 47 16.611 -0.176 -3.901 295 H PHE 48 H PHE 48 13.637 -1.207 -2.247 296 HA PHE 48 HA PHE 48 14.187 0.421 0.034 297 1HB PHE 48 2HB PHE 48 12.333 -1.968 -0.383 298 2HB PHE 48 1HB PHE 48 12.318 -0.980 1.082 299 HD1 PHE 48 1HD PHE 48 10.211 -1.448 -1.318 300 HD2 PHE 48 2HD PHE 48 12.839 1.734 -0.108 301 HE1 PHE 48 1HE PHE 48 8.711 0.207 -2.376 302 HE2 PHE 48 2HE PHE 48 11.361 3.354 -1.180 303 HZ PHE 48 HZ PHE 48 9.280 2.600 -2.290 304 H ASP 49 H ASP 49 13.952 -1.101 2.305 305 HA ASP 49 HA ASP 49 16.182 -3.071 2.005 306 1HB ASP 49 2HB ASP 49 16.072 -0.594 3.637 307 2HB ASP 49 1HB ASP 49 16.611 -2.028 4.518 308 H PHE 50 H PHE 50 13.043 -2.860 2.699 309 HA PHE 50 HA PHE 50 13.167 -4.595 5.110 310 1HB PHE 50 2HB PHE 50 10.624 -4.380 4.997 311 2HB PHE 50 1HB PHE 50 11.506 -2.887 5.279 312 HD1 PHE 50 1HD PHE 50 10.459 -4.919 2.270 313 HD2 PHE 50 2HD PHE 50 10.725 -1.055 4.132 314 HE1 PHE 50 1HE PHE 50 9.438 -3.902 0.283 315 HE2 PHE 50 2HE PHE 50 9.660 -0.040 2.134 316 HZ PHE 50 HZ PHE 50 8.974 -1.479 0.240 317 H SER 51 H SER 51 11.050 -6.256 4.751 318 HA SER 51 HA SER 51 10.622 -7.486 2.295 319 1HB SER 51 2HB SER 51 12.914 -7.946 1.908 320 2HB SER 51 1HB SER 51 13.208 -8.351 3.604 321 HG SER 51 HG SER 51 13.068 -10.262 2.489 322 H VAL 52 H VAL 52 9.202 -7.161 4.670 323 HA VAL 52 HA VAL 52 9.143 -9.191 6.546 324 HB VAL 52 HB VAL 52 6.458 -8.974 6.144 325 1HG1 VAL 52 1HG1 VAL 52 7.713 -8.244 8.133 326 2HG1 VAL 52 2HG1 VAL 52 6.531 -7.033 7.641 327 3HG1 VAL 52 3HG1 VAL 52 8.242 -6.797 7.274 328 1HG2 VAL 52 1HG2 VAL 52 6.926 -7.716 4.004 329 2HG2 VAL 52 2HG2 VAL 52 7.532 -6.386 4.981 330 3HG2 VAL 52 3HG2 VAL 52 5.863 -6.924 5.121 331 H SER 53 H SER 53 8.334 -9.433 3.147 332 HA SER 53 HA SER 53 8.537 -12.295 3.205 333 1HB SER 53 2HB SER 53 5.872 -11.973 2.191 334 2HB SER 53 1HB SER 53 6.395 -12.868 3.621 335 HG SER 53 HG SER 53 5.619 -11.311 4.815 336 H SER 54 H SER 54 8.068 -13.208 0.992 337 HA SER 54 HA SER 54 9.128 -11.417 -1.052 338 1HB SER 54 2HB SER 54 7.940 -13.962 -2.003 339 2HB SER 54 1HB SER 54 9.556 -13.302 -2.183 340 HG SER 54 HG SER 54 10.167 -14.133 -0.278 341 HA PRO 55 HA PRO 55 4.806 -12.061 -3.016 342 1HB PRO 55 2HB PRO 55 2.851 -13.153 -1.432 343 2HB PRO 55 1HB PRO 55 3.916 -14.088 -2.477 344 1HG PRO 55 2HG PRO 55 4.004 -13.785 0.502 345 2HG PRO 55 1HG PRO 55 4.519 -15.154 -0.499 346 1HD PRO 55 2HD PRO 55 6.179 -13.237 0.651 347 2HD PRO 55 1HD PRO 55 6.644 -14.363 -0.619 348 H TYR 56 H TYR 56 4.934 -9.819 -2.785 349 HA TYR 56 HA TYR 56 3.693 -8.571 -0.401 350 1HB TYR 56 2HB TYR 56 5.457 -7.700 -2.656 351 2HB TYR 56 1HB TYR 56 4.377 -6.487 -2.001 352 HD1 TYR 56 1HD TYR 56 5.436 -9.155 0.254 353 HD2 TYR 56 2HD TYR 56 6.366 -5.234 -1.241 354 HE1 TYR 56 1HE TYR 56 6.891 -8.778 2.161 355 HE2 TYR 56 2HE TYR 56 7.869 -4.893 0.679 356 HH TYR 56 HH TYR 56 8.307 -5.697 2.923 357 H TYR 57 H TYR 57 2.481 -6.382 -1.333 358 HA TYR 57 HA TYR 57 0.684 -6.940 -3.512 359 1HB TYR 57 2HB TYR 57 -0.231 -7.134 -0.665 360 2HB TYR 57 1HB TYR 57 -1.387 -6.846 -1.969 361 HD1 TYR 57 1HD TYR 57 0.288 -9.312 -0.088 362 HD2 TYR 57 2HD TYR 57 -1.219 -8.499 -3.991 363 HE1 TYR 57 1HE TYR 57 0.240 -11.754 -0.559 364 HE2 TYR 57 2HE TYR 57 -1.227 -10.915 -4.511 365 HH TYR 57 HH TYR 57 0.207 -13.078 -3.404 366 H GLU 58 H GLU 58 0.897 -4.910 -4.370 367 HA GLU 58 HA GLU 58 1.081 -2.540 -2.697 368 1HB GLU 58 2HB GLU 58 0.992 -1.286 -4.835 369 2HB GLU 58 1HB GLU 58 2.156 -2.618 -4.913 370 1HG GLU 58 2HG GLU 58 0.203 -4.010 -5.921 371 2HG GLU 58 1HG GLU 58 -0.591 -2.451 -6.137 372 H TRP 59 H TRP 59 -0.516 -1.101 -2.161 373 HA TRP 59 HA TRP 59 -3.160 -1.226 -3.395 374 1HB TRP 59 2HB TRP 59 -3.586 -3.020 -1.910 375 2HB TRP 59 1HB TRP 59 -2.612 -2.296 -0.627 376 HD1 TRP 59 HD TRP 59 -3.742 -0.589 0.964 377 HE1 TRP 59 1HE TRP 59 -6.177 0.161 1.313 378 HE3 TRP 59 3HE TRP 59 -5.884 -2.601 -3.226 379 HZ2 TRP 59 2HZ TRP 59 -8.685 -0.063 -0.039 380 HZ3 TRP 59 3HZ TRP 59 -8.306 -2.316 -3.651 381 HH2 TRP 59 HH TRP 59 -9.713 -1.068 -2.071 382 HA PRO 60 HA PRO 60 -2.748 3.019 -2.154 383 1HB PRO 60 2HB PRO 60 -5.366 3.781 -2.436 384 2HB PRO 60 1HB PRO 60 -4.234 3.570 -3.771 385 1HG PRO 60 2HG PRO 60 -6.387 1.703 -2.855 386 2HG PRO 60 1HG PRO 60 -5.822 2.004 -4.496 387 1HD PRO 60 2HD PRO 60 -5.144 -0.172 -3.018 388 2HD PRO 60 1HD PRO 60 -4.180 0.432 -4.307 389 H ILE 61 H ILE 61 -2.645 3.949 -0.213 390 HA ILE 61 HA ILE 61 -4.378 2.869 1.971 391 HB ILE 61 HB ILE 61 -2.176 2.533 2.619 392 1HG1 ILE 61 2HG1 ILE 61 -1.774 3.956 4.474 393 2HG1 ILE 61 1HG1 ILE 61 -2.529 5.346 3.693 394 1HG2 ILE 61 1HG2 ILE 61 -1.515 5.233 1.456 395 2HG2 ILE 61 2HG2 ILE 61 -1.093 3.670 0.795 396 3HG2 ILE 61 3HG2 ILE 61 -0.357 4.198 2.275 397 1HD1 ILE 61 1HD1 ILE 61 -4.438 3.211 3.838 398 2HD1 ILE 61 2HD1 ILE 61 -4.469 4.773 4.591 399 3HD1 ILE 61 3HD1 ILE 61 -3.706 3.453 5.398 400 H LEU 62 H LEU 62 -5.907 4.246 2.816 401 HA LEU 62 HA LEU 62 -5.539 7.195 2.376 402 1HB LEU 62 2HB LEU 62 -8.286 5.992 2.585 403 2HB LEU 62 1HB LEU 62 -7.734 7.429 1.712 404 HG LEU 62 HG LEU 62 -7.265 4.533 0.914 405 1HD1 LEU 62 1HD1 LEU 62 -9.511 5.482 0.430 406 2HD1 LEU 62 2HD1 LEU 62 -8.589 5.126 -1.023 407 3HD1 LEU 62 3HD1 LEU 62 -8.736 6.792 -0.471 408 1HD2 LEU 62 1HD2 LEU 62 -5.464 5.247 -0.215 409 2HD2 LEU 62 2HD2 LEU 62 -5.685 6.911 0.323 410 3HD2 LEU 62 3HD2 LEU 62 -6.481 6.341 -1.114 411 H SER 63 H SER 63 -6.766 8.511 4.000 412 HA SER 63 HA SER 63 -6.865 7.080 6.644 413 1HB SER 63 2HB SER 63 -5.058 8.576 6.883 414 2HB SER 63 1HB SER 63 -5.840 9.791 5.860 415 HG SER 63 HG SER 63 -6.402 9.144 8.535 416 H SER 64 H SER 64 -8.916 7.883 4.424 417 HA SER 64 HA SER 64 -10.713 9.566 6.096 418 1HB SER 64 2HB SER 64 -10.151 9.430 3.330 419 2HB SER 64 1HB SER 64 -11.792 8.827 3.486 420 HG SER 64 HG SER 64 -12.388 10.722 4.461 421 H GLY 65 H GLY 65 -13.153 8.527 4.910 422 1HA GLY 65 2HA GLY 65 -13.241 5.835 6.245 423 2HA GLY 65 1HA GLY 65 -14.560 7.002 6.239 424 H ASP 66 H ASP 66 -12.444 5.672 3.666 425 HA ASP 66 HA ASP 66 -14.700 4.300 2.426 426 1HB ASP 66 2HB ASP 66 -15.151 6.657 1.759 427 2HB ASP 66 1HB ASP 66 -13.547 6.745 1.017 428 H VAL 67 H VAL 67 -13.553 2.465 2.003 429 HA VAL 67 HA VAL 67 -10.813 2.175 1.545 430 HB VAL 67 HB VAL 67 -13.010 0.557 0.190 431 1HG1 VAL 67 1HG1 VAL 67 -10.790 0.074 -0.727 432 2HG1 VAL 67 2HG1 VAL 67 -11.301 -1.255 0.286 433 3HG1 VAL 67 3HG1 VAL 67 -10.142 -0.085 0.905 434 1HG2 VAL 67 1HG2 VAL 67 -11.811 0.491 2.965 435 2HG2 VAL 67 2HG2 VAL 67 -12.507 -0.957 2.241 436 3HG2 VAL 67 3HG2 VAL 67 -13.512 0.460 2.482 437 H TYR 68 H TYR 68 -9.608 1.831 -0.552 438 HA TYR 68 HA TYR 68 -9.820 3.972 -2.302 439 1HB TYR 68 2HB TYR 68 -7.856 2.633 -2.385 440 2HB TYR 68 1HB TYR 68 -8.757 1.192 -2.849 441 HD1 TYR 68 1HD TYR 68 -10.037 1.236 -5.078 442 HD2 TYR 68 2HD TYR 68 -7.015 4.074 -4.061 443 HE1 TYR 68 1HE TYR 68 -9.839 1.822 -7.455 444 HE2 TYR 68 2HE TYR 68 -6.778 4.654 -6.459 445 HH TYR 68 HH TYR 68 -8.065 2.805 -8.982 446 H SER 69 H SER 69 -11.432 4.564 -3.638 447 HA SER 69 HA SER 69 -12.648 2.712 -5.512 448 1HB SER 69 2HB SER 69 -13.959 3.203 -2.910 449 2HB SER 69 1HB SER 69 -15.018 3.525 -4.280 450 HG SER 69 HG SER 69 -14.939 1.294 -3.488 451 H GLY 70 H GLY 70 -11.273 5.196 -5.701 452 1HA GLY 70 2HA GLY 70 -12.072 6.742 -7.555 453 2HA GLY 70 1HA GLY 70 -13.465 7.089 -6.536 454 H GLY 71 H GLY 71 -10.920 6.644 -4.441 455 1HA GLY 71 2HA GLY 71 -10.670 9.532 -3.997 456 2HA GLY 71 1HA GLY 71 -9.987 8.241 -3.010 457 H SER 72 H SER 72 -7.933 9.363 -3.001 458 HA SER 72 HA SER 72 -6.579 9.908 -5.498 459 1HB SER 72 2HB SER 72 -5.990 10.205 -2.627 460 2HB SER 72 1HB SER 72 -4.565 9.883 -3.618 461 HG SER 72 HG SER 72 -4.918 12.079 -3.621 462 HA PRO 73 HA PRO 73 -5.107 5.683 -5.955 463 1HB PRO 73 2HB PRO 73 -3.671 6.112 -8.249 464 2HB PRO 73 1HB PRO 73 -5.416 6.007 -8.194 465 1HG PRO 73 2HG PRO 73 -3.732 8.454 -8.523 466 2HG PRO 73 1HG PRO 73 -5.369 8.126 -9.107 467 1HD PRO 73 2HD PRO 73 -4.675 9.660 -6.813 468 2HD PRO 73 1HD PRO 73 -6.295 9.100 -7.277 469 H GLY 74 H GLY 74 -2.376 7.383 -7.396 470 1HA GLY 74 2HA GLY 74 -0.421 6.026 -5.879 471 2HA GLY 74 1HA GLY 74 -0.190 7.484 -6.809 472 H ALA 75 H ALA 75 0.394 9.250 -5.619 473 HA ALA 75 HA ALA 75 0.853 10.549 -3.759 474 1HB ALA 75 1HB ALA 75 -1.978 9.627 -3.226 475 2HB ALA 75 2HB ALA 75 -1.435 11.153 -3.897 476 3HB ALA 75 3HB ALA 75 -1.151 10.806 -2.197 477 H ASP 76 H ASP 76 -1.182 8.323 -1.845 478 HA ASP 76 HA ASP 76 1.306 7.501 -0.394 479 1HB ASP 76 2HB ASP 76 -1.404 7.443 0.912 480 2HB ASP 76 1HB ASP 76 0.198 7.700 1.618 481 H ARG 77 H ARG 77 1.757 5.384 -0.809 482 HA ARG 77 HA ARG 77 -0.558 3.480 -0.952 483 1HB ARG 77 2HB ARG 77 1.565 3.994 -2.927 484 2HB ARG 77 1HB ARG 77 1.443 2.289 -2.475 485 1HG ARG 77 2HG ARG 77 -1.063 2.503 -2.846 486 2HG ARG 77 1HG ARG 77 -0.712 4.068 -3.605 487 1HD ARG 77 2HD ARG 77 1.060 1.946 -4.601 488 2HD ARG 77 1HD ARG 77 -0.650 1.511 -4.768 489 HE ARG 77 HE ARG 77 1.019 3.421 -6.102 490 1HH1 ARG 77 1HH2 ARG 77 -2.318 2.664 -4.804 491 2HH1 ARG 77 2HH2 ARG 77 -3.224 3.690 -5.829 492 1HH2 ARG 77 1HH1 ARG 77 -0.544 4.799 -7.708 493 2HH2 ARG 77 2HH1 ARG 77 -2.256 4.759 -7.567 494 H VAL 78 H VAL 78 -0.292 1.637 0.264 495 HA VAL 78 HA VAL 78 2.384 1.255 1.565 496 HB VAL 78 HB VAL 78 0.609 2.158 3.121 497 1HG1 VAL 78 1HG1 VAL 78 -0.682 -0.562 3.001 498 2HG1 VAL 78 2HG1 VAL 78 -1.185 0.675 1.858 499 3HG1 VAL 78 3HG1 VAL 78 -1.333 0.973 3.569 500 1HG2 VAL 78 1HG2 VAL 78 1.358 -0.680 3.855 501 2HG2 VAL 78 2HG2 VAL 78 1.243 0.742 4.895 502 3HG2 VAL 78 3HG2 VAL 78 2.566 0.587 3.756 503 H VAL 79 H VAL 79 3.105 -0.892 1.665 504 HA VAL 79 HA VAL 79 1.414 -2.823 0.112 505 HB VAL 79 HB VAL 79 4.412 -2.867 0.517 506 1HG1 VAL 79 1HG1 VAL 79 4.173 -4.395 -1.523 507 2HG1 VAL 79 2HG1 VAL 79 2.483 -4.452 -1.137 508 3HG1 VAL 79 3HG1 VAL 79 3.653 -5.076 0.005 509 1HG2 VAL 79 1HG2 VAL 79 2.842 -1.971 -1.888 510 2HG2 VAL 79 2HG2 VAL 79 4.590 -2.001 -1.716 511 3HG2 VAL 79 3HG2 VAL 79 3.637 -0.891 -0.746 512 H PHE 80 H PHE 80 1.714 -5.095 0.679 513 HA PHE 80 HA PHE 80 2.611 -5.740 3.376 514 1HB PHE 80 2HB PHE 80 0.307 -6.445 4.080 515 2HB PHE 80 1HB PHE 80 0.439 -4.706 3.814 516 HD1 PHE 80 1HD PHE 80 -0.585 -7.882 2.138 517 HD2 PHE 80 2HD PHE 80 -0.963 -3.611 2.278 518 HE1 PHE 80 1HE PHE 80 -2.376 -8.008 0.464 519 HE2 PHE 80 2HE PHE 80 -2.798 -3.746 0.617 520 HZ PHE 80 HZ PHE 80 -3.471 -5.932 -0.315 521 H ASN 81 H ASN 81 1.382 -8.170 3.726 522 HA ASN 81 HA ASN 81 1.927 -9.619 1.154 523 1HB ASN 81 2HB ASN 81 3.775 -10.047 2.621 524 2HB ASN 81 1HB ASN 81 2.709 -10.352 3.990 525 1HD2 ASN 81 1HD2 ASN 81 3.993 -12.492 3.932 526 2HD2 ASN 81 2HD2 ASN 81 3.379 -13.730 2.903 527 H GLU 82 H GLU 82 0.845 -10.886 4.266 528 HA GLU 82 HA GLU 82 -1.933 -11.135 3.365 529 1HB GLU 82 2HB GLU 82 -1.979 -13.557 3.380 530 2HB GLU 82 1HB GLU 82 -0.753 -13.032 2.225 531 1HG GLU 82 2HG GLU 82 0.954 -13.902 3.380 532 2HG GLU 82 1HG GLU 82 0.346 -13.387 4.950 533 H ASN 83 H ASN 83 -0.084 -10.244 5.697 534 HA ASN 83 HA ASN 83 -1.933 -11.121 7.791 535 1HB ASN 83 2HB ASN 83 0.800 -12.214 7.485 536 2HB ASN 83 1HB ASN 83 0.544 -11.494 9.074 537 1HD2 ASN 83 1HD2 ASN 83 0.667 -14.411 8.087 538 2HD2 ASN 83 2HD2 ASN 83 -0.751 -15.098 8.789 539 H ASN 84 H ASN 84 -1.079 -8.656 6.342 540 HA ASN 84 HA ASN 84 -0.550 -6.476 6.789 541 1HB ASN 84 2HB ASN 84 -1.693 -5.577 8.597 542 2HB ASN 84 1HB ASN 84 -2.476 -7.155 8.514 543 1HD2 ASN 84 1HD2 ASN 84 -0.091 -5.244 10.304 544 2HD2 ASN 84 2HD2 ASN 84 -0.067 -6.292 11.675 545 H GLN 85 H GLN 85 1.499 -8.670 7.343 546 HA GLN 85 HA GLN 85 3.161 -8.118 9.519 547 1HB GLN 85 2HB GLN 85 4.490 -8.443 6.835 548 2HB GLN 85 1HB GLN 85 4.865 -9.215 8.382 549 1HG GLN 85 2HG GLN 85 2.385 -10.257 7.923 550 2HG GLN 85 1HG GLN 85 2.957 -10.015 6.259 551 1HE2 GLN 85 1HE2 GLN 85 3.785 -11.540 9.375 552 2HE2 GLN 85 2HE2 GLN 85 4.792 -12.749 8.665 553 H LEU 86 H LEU 86 2.706 -6.365 6.497 554 HA LEU 86 HA LEU 86 2.897 -4.087 6.225 555 1HB LEU 86 2HB LEU 86 3.434 -4.098 8.887 556 2HB LEU 86 1HB LEU 86 5.048 -3.696 8.291 557 HG LEU 86 HG LEU 86 3.950 -1.618 8.620 558 1HD1 LEU 86 1HD1 LEU 86 3.868 -0.676 6.435 559 2HD1 LEU 86 2HD1 LEU 86 3.491 -2.202 5.670 560 3HD1 LEU 86 3HD1 LEU 86 5.091 -1.932 6.376 561 1HD2 LEU 86 1HD2 LEU 86 1.623 -1.963 6.917 562 2HD2 LEU 86 2HD2 LEU 86 1.744 -1.411 8.588 563 3HD2 LEU 86 3HD2 LEU 86 1.602 -3.127 8.233 564 H ALA 87 H ALA 87 3.939 -3.893 4.322 565 HA ALA 87 HA ALA 87 6.714 -4.856 3.999 566 1HB ALA 87 1HB ALA 87 5.317 -5.339 2.126 567 2HB ALA 87 2HB ALA 87 6.300 -3.956 1.618 568 3HB ALA 87 3HB ALA 87 4.678 -3.716 2.160 569 H GLY 88 H GLY 88 4.868 -1.838 3.888 570 1HA GLY 88 2HA GLY 88 6.502 -0.080 5.105 571 2HA GLY 88 1HA GLY 88 7.349 -0.241 3.563 572 H VAL 89 H VAL 89 5.836 2.094 4.730 573 HA VAL 89 HA VAL 89 3.499 2.325 2.934 574 HB VAL 89 HB VAL 89 4.739 4.340 4.813 575 1HG1 VAL 89 1HG1 VAL 89 2.018 4.325 3.484 576 2HG1 VAL 89 2HG1 VAL 89 3.362 5.314 2.935 577 3HG1 VAL 89 3HG1 VAL 89 2.671 5.580 4.524 578 1HG2 VAL 89 1HG2 VAL 89 2.328 2.541 5.114 579 2HG2 VAL 89 2HG2 VAL 89 2.820 3.732 6.254 580 3HG2 VAL 89 3HG2 VAL 89 3.839 2.337 5.970 581 H ILE 90 H ILE 90 4.543 2.247 0.878 582 HA ILE 90 HA ILE 90 6.634 4.194 0.225 583 HB ILE 90 HB ILE 90 6.408 3.335 -2.049 584 1HG1 ILE 90 2HG1 ILE 90 3.913 2.066 -0.902 585 2HG1 ILE 90 1HG1 ILE 90 4.127 2.853 -2.456 586 1HG2 ILE 90 1HG2 ILE 90 7.738 2.140 -0.323 587 2HG2 ILE 90 2HG2 ILE 90 7.121 1.077 -1.572 588 3HG2 ILE 90 3HG2 ILE 90 6.347 1.119 0.004 589 1HD1 ILE 90 1HD1 ILE 90 5.530 0.894 -3.150 590 2HD1 ILE 90 2HD1 ILE 90 3.873 0.478 -2.772 591 3HD1 ILE 90 3HD1 ILE 90 5.148 0.142 -1.620 592 H THR 91 H THR 91 6.190 5.701 -1.747 593 HA THR 91 HA THR 91 3.396 6.758 -1.642 594 HB THR 91 HB THR 91 4.897 8.073 -0.107 595 HG1 THR 91 1HG THR 91 3.271 9.286 -0.924 596 1HG2 THR 91 1HG2 THR 91 6.948 7.688 -1.564 597 2HG2 THR 91 2HG2 THR 91 6.722 9.316 -0.965 598 3HG2 THR 91 3HG2 THR 91 6.312 8.952 -2.630 599 H HIS 92 H HIS 92 2.643 7.549 -3.573 600 HA HIS 92 HA HIS 92 4.347 7.077 -5.930 601 1HB HIS 92 2HB HIS 92 1.700 6.534 -5.466 602 2HB HIS 92 1HB HIS 92 1.589 8.077 -6.301 603 HD1 HIS 92 1HD HIS 92 3.800 5.066 -6.865 604 HD2 HIS 92 2HD HIS 92 1.280 7.629 -8.944 605 HE1 HIS 92 1HE HIS 92 3.816 4.267 -9.263 606 HE2 HIS 92 2HE HIS 92 2.089 5.671 -10.467 607 H THR 93 H THR 93 5.693 8.984 -5.299 608 HA THR 93 HA THR 93 5.219 11.252 -6.874 609 HB THR 93 HB THR 93 3.978 11.405 -4.130 610 HG1 THR 93 1HG THR 93 2.375 12.349 -5.293 611 1HG2 THR 93 1HG2 THR 93 5.613 13.135 -3.872 612 2HG2 THR 93 2HG2 THR 93 4.114 13.920 -4.330 613 3HG2 THR 93 3HG2 THR 93 5.366 13.705 -5.538 614 H GLY 94 H GLY 94 7.006 12.732 -6.704 615 1HA GLY 94 2HA GLY 94 8.933 13.624 -5.551 616 2HA GLY 94 1HA GLY 94 8.968 12.217 -4.495 617 H ALA 95 H ALA 95 8.469 10.545 -7.100 618 HA ALA 95 HA ALA 95 11.279 10.705 -8.120 619 1HB ALA 95 1HB ALA 95 11.023 8.795 -6.599 620 2HB ALA 95 2HB ALA 95 11.252 8.246 -8.258 621 3HB ALA 95 3HB ALA 95 9.642 8.220 -7.534 622 H SER 96 H SER 96 11.534 10.110 -10.333 623 HA SER 96 HA SER 96 9.733 11.037 -12.183 624 1HB SER 96 2HB SER 96 11.425 8.535 -12.581 625 2HB SER 96 1HB SER 96 10.825 9.616 -13.848 626 HG SER 96 HG SER 96 13.055 9.977 -13.096 627 H GLY 97 H GLY 97 7.677 10.453 -12.775 628 1HA GLY 97 2HA GLY 97 5.758 9.143 -13.051 629 2HA GLY 97 1HA GLY 97 6.807 7.722 -13.067 630 H ASN 98 H ASN 98 6.431 10.145 -10.488 631 HA ASN 98 HA ASN 98 6.243 9.722 -8.195 632 1HB ASN 98 2HB ASN 98 3.692 8.376 -8.462 633 2HB ASN 98 1HB ASN 98 4.042 9.976 -7.941 634 1HD2 ASN 98 1HD2 ASN 98 3.481 8.089 -10.876 635 2HD2 ASN 98 2HD2 ASN 98 2.986 9.465 -11.792 636 H ASN 99 H ASN 99 7.949 7.793 -8.968 637 HA ASN 99 HA ASN 99 7.088 5.103 -8.741 638 1HB ASN 99 2HB ASN 99 9.533 6.339 -9.116 639 2HB ASN 99 1HB ASN 99 9.728 5.696 -7.483 640 1HD2 ASN 99 1HD2 ASN 99 9.424 4.846 -10.857 641 2HD2 ASN 99 2HD2 ASN 99 9.657 3.154 -10.620 642 H PHE 100 H PHE 100 7.657 3.660 -6.790 643 HA PHE 100 HA PHE 100 6.407 4.898 -4.409 644 1HB PHE 100 2HB PHE 100 7.288 2.047 -4.281 645 2HB PHE 100 1HB PHE 100 5.809 2.841 -3.792 646 HD1 PHE 100 1HD PHE 100 4.049 3.485 -5.398 647 HD2 PHE 100 2HD PHE 100 7.430 1.077 -6.467 648 HE1 PHE 100 1HE PHE 100 2.863 2.729 -7.439 649 HE2 PHE 100 2HE PHE 100 6.244 0.301 -8.505 650 HZ PHE 100 HZ PHE 100 3.961 1.136 -8.992 651 H VAL 101 H VAL 101 7.659 5.730 -2.826 652 HA VAL 101 HA VAL 101 10.289 4.488 -2.259 653 HB VAL 101 HB VAL 101 10.933 7.033 -1.728 654 1HG1 VAL 101 1HG1 VAL 101 11.033 5.539 -4.348 655 2HG1 VAL 101 2HG1 VAL 101 12.311 5.766 -3.155 656 3HG1 VAL 101 3HG1 VAL 101 11.805 7.112 -4.143 657 1HG2 VAL 101 1HG2 VAL 101 8.982 7.222 -4.059 658 2HG2 VAL 101 2HG2 VAL 101 9.994 8.510 -3.421 659 3HG2 VAL 101 3HG2 VAL 101 8.714 7.855 -2.435 660 H GLU 102 H GLU 102 10.950 4.732 -0.022 661 HA GLU 102 HA GLU 102 8.846 4.521 1.846 662 1HB GLU 102 2HB GLU 102 10.611 4.873 3.583 663 2HB GLU 102 1HB GLU 102 11.054 3.676 2.371 664 1HG GLU 102 2HG GLU 102 12.758 4.867 1.560 665 2HG GLU 102 1HG GLU 102 11.898 6.396 1.595 666 H CYS 103 H CYS 103 7.641 6.043 2.905 667 HA CYS 103 HA CYS 103 7.572 8.741 2.096 668 1HB CYS 103 2HB CYS 103 6.675 7.400 4.677 669 2HB CYS 103 1HB CYS 103 6.289 9.085 4.283 670 H THR 104 H THR 104 8.405 10.677 3.037 671 HA THR 104 HA THR 104 10.371 10.375 5.255 672 HB THR 104 HB THR 104 11.687 12.108 3.485 673 HG1 THR 104 1HG THR 104 10.866 9.854 1.948 674 1HG2 THR 104 1HG2 THR 104 12.074 9.119 3.783 675 2HG2 THR 104 2HG2 THR 104 12.694 10.342 4.895 676 3HG2 THR 104 3HG2 THR 104 13.277 10.289 3.233 Start of MODEL 4 1 1H ALA 1 1HT ALA 1 -1.180 11.941 15.960 2 2H ALA 1 2HT ALA 1 0.385 12.638 15.796 3 3H ALA 1 3HT ALA 1 -0.310 12.451 17.350 4 HA ALA 1 HA ALA 1 1.366 10.798 16.974 5 1HB ALA 1 1HB ALA 1 -1.465 9.707 16.939 6 2HB ALA 1 2HB ALA 1 -0.576 10.240 18.366 7 3HB ALA 1 3HB ALA 1 -0.030 8.824 17.470 8 H CYS 2 H CYS 2 2.457 9.680 15.395 9 HA CYS 2 HA CYS 2 1.437 8.057 13.473 10 1HB CYS 2 2HB CYS 2 1.608 9.661 11.407 11 2HB CYS 2 1HB CYS 2 0.133 9.647 12.369 12 H ASP 3 H ASP 3 3.178 6.929 12.706 13 HA ASP 3 HA ASP 3 5.818 8.283 12.855 14 1HB ASP 3 2HB ASP 3 5.298 5.937 13.859 15 2HB ASP 3 1HB ASP 3 5.364 5.350 12.193 16 H TYR 4 H TYR 4 3.524 6.885 10.573 17 HA TYR 4 HA TYR 4 5.448 7.169 8.334 18 1HB TYR 4 2HB TYR 4 2.694 5.968 8.686 19 2HB TYR 4 1HB TYR 4 3.240 6.412 7.068 20 HD1 TYR 4 1HD TYR 4 5.686 5.649 6.456 21 HD2 TYR 4 2HD TYR 4 3.242 3.852 9.481 22 HE1 TYR 4 1HE TYR 4 7.020 3.564 6.290 23 HE2 TYR 4 2HE TYR 4 4.572 1.765 9.332 24 HH TYR 4 HH TYR 4 7.431 1.462 8.231 25 H THR 5 H THR 5 5.705 9.332 7.822 26 HA THR 5 HA THR 5 3.180 10.873 7.294 27 HB THR 5 HB THR 5 5.797 11.870 8.471 28 HG1 THR 5 1HG THR 5 4.533 11.095 10.091 29 1HG2 THR 5 1HG2 THR 5 4.327 14.024 8.582 30 2HG2 THR 5 2HG2 THR 5 3.445 13.299 7.243 31 3HG2 THR 5 3HG2 THR 5 5.177 13.633 7.095 32 H CYS 6 H CYS 6 3.014 11.440 5.195 33 HA CYS 6 HA CYS 6 5.488 11.422 3.504 34 1HB CYS 6 2HB CYS 6 2.536 11.262 2.814 35 2HB CYS 6 1HB CYS 6 3.843 11.315 1.615 36 H GLY 7 H GLY 7 4.226 13.578 5.296 37 1HA GLY 7 2HA GLY 7 5.165 15.873 4.313 38 2HA GLY 7 1HA GLY 7 3.661 15.737 3.400 39 H SER 8 H SER 8 1.645 15.815 4.562 40 HA SER 8 HA SER 8 1.842 16.602 7.443 41 1HB SER 8 2HB SER 8 0.602 18.189 5.181 42 2HB SER 8 1HB SER 8 0.081 18.412 6.857 43 HG SER 8 HG SER 8 2.592 18.940 5.705 44 H ASN 9 H ASN 9 1.006 14.095 6.430 45 HA ASN 9 HA ASN 9 -1.983 14.224 6.648 46 1HB ASN 9 2HB ASN 9 -0.497 11.684 5.995 47 2HB ASN 9 1HB ASN 9 -2.076 12.269 5.454 48 1HD2 ASN 9 1HD2 ASN 9 1.358 12.449 4.825 49 2HD2 ASN 9 2HD2 ASN 9 1.198 13.299 3.334 50 H CYS 10 H CYS 10 0.935 13.089 8.261 51 HA CYS 10 HA CYS 10 1.234 12.158 10.307 52 1HB CYS 10 2HB CYS 10 -0.187 14.067 11.040 53 2HB CYS 10 1HB CYS 10 -1.632 13.082 10.807 54 H TYR 11 H TYR 11 0.886 10.223 8.594 55 HA TYR 11 HA TYR 11 -1.440 8.520 9.317 56 1HB TYR 11 2HB TYR 11 0.823 8.314 7.308 57 2HB TYR 11 1HB TYR 11 -0.181 6.914 7.683 58 HD1 TYR 11 1HD TYR 11 -1.894 10.095 8.001 59 HD2 TYR 11 2HD TYR 11 -0.741 7.035 5.212 60 HE1 TYR 11 1HE TYR 11 -3.572 10.913 6.447 61 HE2 TYR 11 2HE TYR 11 -2.463 7.869 3.630 62 HH TYR 11 HH TYR 11 -3.705 10.530 3.457 63 H SER 12 H SER 12 -1.286 7.372 11.172 64 HA SER 12 HA SER 12 1.366 6.695 12.240 65 1HB SER 12 2HB SER 12 -0.823 5.479 13.699 66 2HB SER 12 1HB SER 12 0.283 6.742 14.227 67 HG SER 12 HG SER 12 -1.988 7.350 14.109 68 H SER 13 H SER 13 2.286 4.698 12.283 69 HA SER 13 HA SER 13 1.671 2.788 10.343 70 1HB SER 13 2HB SER 13 3.325 1.509 11.315 71 2HB SER 13 1HB SER 13 3.640 2.996 12.212 72 HG SER 13 HG SER 13 3.405 1.320 13.681 73 H SER 14 H SER 14 0.069 3.345 13.399 74 HA SER 14 HA SER 14 -1.226 0.748 13.500 75 1HB SER 14 2HB SER 14 -1.655 3.381 14.933 76 2HB SER 14 1HB SER 14 -2.708 1.985 15.207 77 HG SER 14 HG SER 14 -1.033 0.866 16.051 78 H ASP 15 H ASP 15 -2.140 4.019 12.394 79 HA ASP 15 HA ASP 15 -4.838 3.229 11.692 80 1HB ASP 15 2HB ASP 15 -3.710 5.641 12.032 81 2HB ASP 15 1HB ASP 15 -3.463 5.523 10.286 82 H VAL 16 H VAL 16 -1.713 3.141 10.136 83 HA VAL 16 HA VAL 16 -2.639 2.807 7.442 84 HB VAL 16 HB VAL 16 -0.103 1.706 8.717 85 1HG1 VAL 16 1HG1 VAL 16 -0.627 0.756 6.488 86 2HG1 VAL 16 2HG1 VAL 16 0.759 1.832 6.411 87 3HG1 VAL 16 3HG1 VAL 16 -0.813 2.382 5.838 88 1HG2 VAL 16 1HG2 VAL 16 -0.292 4.125 9.082 89 2HG2 VAL 16 2HG2 VAL 16 -0.667 4.380 7.396 90 3HG2 VAL 16 3HG2 VAL 16 0.926 3.801 7.874 91 H SER 17 H SER 17 -2.454 0.693 10.224 92 HA SER 17 HA SER 17 -2.545 -1.816 8.850 93 1HB SER 17 2HB SER 17 -2.099 -1.287 11.368 94 2HB SER 17 1HB SER 17 -3.857 -1.373 11.534 95 HG SER 17 HG SER 17 -2.032 -3.386 10.771 96 H THR 18 H THR 18 -5.105 0.327 10.146 97 HA THR 18 HA THR 18 -7.289 -1.375 9.430 98 HB THR 18 HB THR 18 -8.271 1.243 9.119 99 HG1 THR 18 1HG THR 18 -7.109 2.525 10.447 100 1HG2 THR 18 1HG2 THR 18 -9.207 -0.521 10.554 101 2HG2 THR 18 2HG2 THR 18 -9.021 0.998 11.428 102 3HG2 THR 18 3HG2 THR 18 -7.869 -0.312 11.687 103 H ALA 19 H ALA 19 -5.465 1.070 7.639 104 HA ALA 19 HA ALA 19 -7.127 0.766 5.239 105 1HB ALA 19 1HB ALA 19 -5.524 2.274 4.221 106 2HB ALA 19 2HB ALA 19 -4.423 2.065 5.589 107 3HB ALA 19 3HB ALA 19 -5.963 2.901 5.817 108 H GLN 20 H GLN 20 -4.526 -0.916 6.710 109 HA GLN 20 HA GLN 20 -3.430 -1.940 4.257 110 1HB GLN 20 2HB GLN 20 -2.496 -1.795 6.887 111 2HB GLN 20 1HB GLN 20 -2.814 -3.491 6.682 112 1HG GLN 20 2HG GLN 20 -0.930 -1.745 5.168 113 2HG GLN 20 1HG GLN 20 -0.612 -3.299 5.967 114 1HE2 GLN 20 1HE2 GLN 20 -1.755 -1.797 3.037 115 2HE2 GLN 20 2HE2 GLN 20 -2.027 -3.228 2.178 116 H ALA 21 H ALA 21 -5.865 -2.839 6.575 117 HA ALA 21 HA ALA 21 -6.102 -5.595 5.592 118 1HB ALA 21 1HB ALA 21 -8.047 -5.698 7.100 119 2HB ALA 21 2HB ALA 21 -7.897 -3.966 7.410 120 3HB ALA 21 3HB ALA 21 -6.624 -5.067 7.928 121 H ALA 22 H ALA 22 -7.160 -2.483 4.626 122 HA ALA 22 HA ALA 22 -9.701 -3.230 3.467 123 1HB ALA 22 1HB ALA 22 -9.525 -1.046 2.330 124 2HB ALA 22 2HB ALA 22 -7.851 -0.899 2.864 125 3HB ALA 22 3HB ALA 22 -9.158 -0.905 4.046 126 H GLY 23 H GLY 23 -6.433 -2.636 2.079 127 1HA GLY 23 2HA GLY 23 -7.239 -3.623 -0.558 128 2HA GLY 23 1HA GLY 23 -5.605 -3.242 -0.039 129 H TYR 24 H TYR 24 -5.781 -4.951 2.344 130 HA TYR 24 HA TYR 24 -4.829 -7.385 1.106 131 1HB TYR 24 2HB TYR 24 -3.815 -6.868 3.191 132 2HB TYR 24 1HB TYR 24 -5.361 -6.492 3.934 133 HD1 TYR 24 1HD TYR 24 -4.249 -9.463 1.944 134 HD2 TYR 24 2HD TYR 24 -5.689 -7.952 5.699 135 HE1 TYR 24 1HE TYR 24 -4.426 -11.773 2.811 136 HE2 TYR 24 2HE TYR 24 -5.872 -10.269 6.561 137 HH TYR 24 HH TYR 24 -4.478 -12.684 5.725 138 H GLN 25 H GLN 25 -7.921 -6.295 2.385 139 HA GLN 25 HA GLN 25 -9.076 -8.960 2.560 140 1HB GLN 25 2HB GLN 25 -9.892 -6.286 3.218 141 2HB GLN 25 1HB GLN 25 -11.102 -6.931 2.129 142 1HG GLN 25 2HG GLN 25 -11.343 -8.925 3.527 143 2HG GLN 25 1HG GLN 25 -10.119 -8.293 4.643 144 1HE2 GLN 25 1HE2 GLN 25 -12.298 -8.633 6.013 145 2HE2 GLN 25 2HE2 GLN 25 -13.243 -7.196 6.161 146 H LEU 26 H LEU 26 -9.785 -6.237 0.329 147 HA LEU 26 HA LEU 26 -11.254 -7.663 -1.548 148 1HB LEU 26 2HB LEU 26 -9.904 -5.138 -1.459 149 2HB LEU 26 1HB LEU 26 -9.379 -5.913 -2.953 150 HG LEU 26 HG LEU 26 -11.653 -6.192 -3.710 151 1HD1 LEU 26 1HD1 LEU 26 -12.951 -6.738 -1.853 152 2HD1 LEU 26 2HD1 LEU 26 -13.459 -5.086 -2.144 153 3HD1 LEU 26 3HD1 LEU 26 -12.296 -5.432 -0.865 154 1HD2 LEU 26 1HD2 LEU 26 -11.066 -3.449 -2.561 155 2HD2 LEU 26 2HD2 LEU 26 -12.420 -3.768 -3.641 156 3HD2 LEU 26 3HD2 LEU 26 -10.773 -4.035 -4.198 157 H HIS 27 H HIS 27 -7.766 -7.653 -1.099 158 HA HIS 27 HA HIS 27 -7.116 -9.060 -3.499 159 1HB HIS 27 2HB HIS 27 -5.332 -7.994 -2.302 160 2HB HIS 27 1HB HIS 27 -5.732 -8.855 -0.807 161 HD1 HIS 27 1HD HIS 27 -5.583 -10.589 -4.155 162 HD2 HIS 27 2HD HIS 27 -3.306 -10.273 -0.671 163 HE1 HIS 27 1HE HIS 27 -3.788 -12.356 -4.312 164 HE2 HIS 27 2HE HIS 27 -2.710 -12.397 -2.035 165 H GLU 28 H GLU 28 -7.347 -10.336 -0.149 166 HA GLU 28 HA GLU 28 -7.461 -13.077 -1.206 167 1HB GLU 28 2HB GLU 28 -6.505 -12.071 1.123 168 2HB GLU 28 1HB GLU 28 -8.115 -12.508 1.665 169 1HG GLU 28 2HG GLU 28 -7.320 -14.577 1.955 170 2HG GLU 28 1HG GLU 28 -7.423 -14.751 0.199 171 H ASP 29 H ASP 29 -9.728 -10.794 -1.341 172 HA ASP 29 HA ASP 29 -11.938 -12.395 -0.229 173 1HB ASP 29 2HB ASP 29 -11.787 -9.882 0.112 174 2HB ASP 29 1HB ASP 29 -12.102 -9.687 -1.616 175 H GLY 30 H GLY 30 -10.419 -11.589 -3.280 176 1HA GLY 30 2HA GLY 30 -10.775 -12.749 -5.307 177 2HA GLY 30 1HA GLY 30 -12.257 -13.450 -4.660 178 H GLU 31 H GLU 31 -12.375 -10.201 -3.919 179 HA GLU 31 HA GLU 31 -14.119 -9.698 -6.265 180 1HB GLU 31 2HB GLU 31 -14.682 -9.323 -3.672 181 2HB GLU 31 1HB GLU 31 -13.893 -7.781 -3.947 182 1HG GLU 31 2HG GLU 31 -15.965 -7.145 -4.624 183 2HG GLU 31 1HG GLU 31 -15.476 -7.859 -6.167 184 H THR 32 H THR 32 -13.792 -6.714 -5.722 185 HA THR 32 HA THR 32 -11.058 -6.060 -6.232 186 HB THR 32 HB THR 32 -12.657 -5.376 -8.661 187 HG1 THR 32 1HG THR 32 -11.700 -8.013 -8.620 188 1HG2 THR 32 1HG2 THR 32 -10.383 -4.832 -8.668 189 2HG2 THR 32 2HG2 THR 32 -10.499 -6.251 -9.690 190 3HG2 THR 32 3HG2 THR 32 -9.872 -6.398 -8.046 191 H VAL 33 H VAL 33 -11.184 -3.661 -7.339 192 HA VAL 33 HA VAL 33 -12.975 -2.149 -5.519 193 HB VAL 33 HB VAL 33 -11.548 -0.176 -6.598 194 1HG1 VAL 33 1HG1 VAL 33 -9.924 -0.446 -4.859 195 2HG1 VAL 33 2HG1 VAL 33 -10.257 -2.159 -4.745 196 3HG1 VAL 33 3HG1 VAL 33 -11.480 -1.002 -4.235 197 1HG2 VAL 33 1HG2 VAL 33 -10.573 -1.913 -8.295 198 2HG2 VAL 33 2HG2 VAL 33 -9.593 -2.427 -6.932 199 3HG2 VAL 33 3HG2 VAL 33 -9.487 -0.774 -7.515 200 H GLY 34 H GLY 34 -12.017 -0.575 -8.497 201 1HA GLY 34 2HA GLY 34 -14.859 -0.425 -9.274 202 2HA GLY 34 1HA GLY 34 -13.538 0.572 -9.877 203 H SER 35 H SER 35 -13.233 -2.934 -9.635 204 HA SER 35 HA SER 35 -13.210 -4.572 -11.271 205 1HB SER 35 2HB SER 35 -13.907 -2.592 -13.444 206 2HB SER 35 1HB SER 35 -14.392 -4.276 -13.247 207 HG SER 35 HG SER 35 -15.897 -3.711 -11.782 208 H ASN 36 H ASN 36 -11.288 -1.934 -10.955 209 HA ASN 36 HA ASN 36 -9.608 -2.418 -13.340 210 1HB ASN 36 2HB ASN 36 -8.779 -0.506 -11.192 211 2HB ASN 36 1HB ASN 36 -8.714 -0.347 -12.952 212 1HD2 ASN 36 1HD2 ASN 36 -10.385 0.679 -10.207 213 2HD2 ASN 36 2HD2 ASN 36 -11.789 1.278 -11.017 214 H SER 37 H SER 37 -9.820 -3.282 -9.972 215 HA SER 37 HA SER 37 -8.466 -4.790 -8.790 216 1HB SER 37 2HB SER 37 -7.936 -5.558 -11.302 217 2HB SER 37 1HB SER 37 -6.355 -4.873 -10.913 218 HG SER 37 HG SER 37 -6.125 -6.323 -9.292 219 H TYR 38 H TYR 38 -7.957 -3.181 -7.274 220 HA TYR 38 HA TYR 38 -5.730 -1.381 -7.849 221 1HB TYR 38 2HB TYR 38 -7.942 -1.209 -6.159 222 2HB TYR 38 1HB TYR 38 -6.613 -1.429 -5.038 223 HD1 TYR 38 1HD TYR 38 -8.449 1.084 -6.045 224 HD2 TYR 38 2HD TYR 38 -4.362 -0.169 -6.458 225 HE1 TYR 38 1HE TYR 38 -7.751 3.438 -6.378 226 HE2 TYR 38 2HE TYR 38 -3.685 2.175 -6.783 227 HH TYR 38 HH TYR 38 -5.347 4.737 -5.942 228 HA PRO 39 HA PRO 39 -3.691 -4.018 -4.473 229 1HB PRO 39 2HB PRO 39 -4.740 -6.479 -3.964 230 2HB PRO 39 1HB PRO 39 -5.147 -5.014 -3.073 231 1HG PRO 39 2HG PRO 39 -6.769 -6.469 -5.121 232 2HG PRO 39 1HG PRO 39 -7.318 -5.454 -3.776 233 1HD PRO 39 2HD PRO 39 -7.145 -4.723 -6.486 234 2HD PRO 39 1HD PRO 39 -7.420 -3.602 -5.137 235 H HIS 40 H HIS 40 -2.022 -4.369 -5.749 236 HA HIS 40 HA HIS 40 -2.035 -6.737 -7.584 237 1HB HIS 40 2HB HIS 40 -0.098 -5.091 -8.703 238 2HB HIS 40 1HB HIS 40 -1.770 -5.227 -9.266 239 HD1 HIS 40 1HD HIS 40 -0.496 -3.509 -6.172 240 HD2 HIS 40 2HD HIS 40 -2.460 -2.573 -9.715 241 HE1 HIS 40 1HE HIS 40 -1.348 -1.150 -5.905 242 HE2 HIS 40 2HE HIS 40 -2.734 -0.671 -7.951 243 H LYS 41 H LYS 41 -0.551 -8.210 -7.028 244 HA LYS 41 HA LYS 41 1.113 -8.045 -4.826 245 1HB LYS 41 2HB LYS 41 2.113 -10.066 -5.535 246 2HB LYS 41 1HB LYS 41 0.530 -10.083 -6.305 247 1HG LYS 41 2HG LYS 41 1.756 -10.558 -8.131 248 2HG LYS 41 1HG LYS 41 1.800 -8.816 -8.270 249 1HD LYS 41 2HD LYS 41 4.059 -9.156 -8.374 250 2HD LYS 41 1HD LYS 41 3.961 -9.215 -6.614 251 1HE LYS 41 2HE LYS 41 4.323 -11.433 -6.514 252 2HE LYS 41 1HE LYS 41 3.378 -11.791 -7.964 253 1HZ LYS 41 1HZ LYS 41 6.152 -10.765 -7.837 254 2HZ LYS 41 2HZ LYS 41 5.254 -10.791 -9.269 255 3HZ LYS 41 3HZ LYS 41 5.622 -12.233 -8.469 256 H TYR 42 H TYR 42 2.913 -6.917 -4.339 257 HA TYR 42 HA TYR 42 4.310 -5.495 -6.485 258 1HB TYR 42 2HB TYR 42 3.681 -4.617 -4.035 259 2HB TYR 42 1HB TYR 42 5.175 -5.380 -3.605 260 HD1 TYR 42 1HD TYR 42 6.653 -3.680 -3.145 261 HD2 TYR 42 2HD TYR 42 4.371 -3.601 -6.778 262 HE1 TYR 42 1HE TYR 42 7.964 -1.736 -3.943 263 HE2 TYR 42 2HE TYR 42 5.653 -1.669 -7.565 264 HH TYR 42 HH TYR 42 8.561 -0.603 -6.037 265 H ASN 43 H ASN 43 6.671 -5.596 -6.623 266 HA ASN 43 HA ASN 43 8.143 -7.704 -5.301 267 1HB ASN 43 2HB ASN 43 6.596 -8.818 -7.180 268 2HB ASN 43 1HB ASN 43 7.851 -8.236 -8.272 269 1HD2 ASN 43 1HD2 ASN 43 9.975 -8.585 -6.116 270 2HD2 ASN 43 2HD2 ASN 43 10.196 -10.274 -6.058 271 H ASN 44 H ASN 44 8.393 -4.901 -5.837 272 HA ASN 44 HA ASN 44 10.465 -4.656 -7.935 273 1HB ASN 44 2HB ASN 44 8.763 -2.859 -6.345 274 2HB ASN 44 1HB ASN 44 10.318 -2.186 -6.713 275 1HD2 ASN 44 1HD2 ASN 44 9.214 -0.642 -8.138 276 2HD2 ASN 44 2HD2 ASN 44 8.690 -1.172 -9.696 277 H TYR 45 H TYR 45 12.199 -2.886 -6.991 278 HA TYR 45 HA TYR 45 13.200 -3.609 -4.324 279 1HB TYR 45 2HB TYR 45 15.190 -4.089 -6.531 280 2HB TYR 45 1HB TYR 45 15.052 -4.854 -4.941 281 HD1 TYR 45 1HD TYR 45 13.815 -6.867 -4.639 282 HD2 TYR 45 2HD TYR 45 13.587 -4.718 -8.349 283 HE1 TYR 45 1HE TYR 45 12.623 -8.781 -5.672 284 HE2 TYR 45 2HE TYR 45 12.397 -6.629 -9.387 285 HH TYR 45 HH TYR 45 12.412 -9.524 -8.517 286 H GLU 46 H GLU 46 12.362 -1.256 -6.029 287 HA GLU 46 HA GLU 46 14.239 0.383 -7.027 288 1HB GLU 46 2HB GLU 46 11.700 0.700 -5.980 289 2HB GLU 46 1HB GLU 46 12.627 1.729 -4.905 290 1HG GLU 46 2HG GLU 46 13.335 2.005 -7.771 291 2HG GLU 46 1HG GLU 46 11.674 2.433 -7.357 292 H GLY 47 H GLY 47 13.548 0.541 -3.509 293 1HA GLY 47 2HA GLY 47 16.366 0.390 -2.806 294 2HA GLY 47 1HA GLY 47 15.753 2.046 -2.729 295 H PHE 48 H PHE 48 14.027 -0.983 -1.964 296 HA PHE 48 HA PHE 48 13.453 0.162 0.736 297 1HB PHE 48 2HB PHE 48 12.158 -2.223 -0.646 298 2HB PHE 48 1HB PHE 48 11.648 -1.388 0.818 299 HD1 PHE 48 1HD PHE 48 10.656 0.842 0.751 300 HD2 PHE 48 2HD PHE 48 11.786 -1.229 -2.831 301 HE1 PHE 48 1HE PHE 48 9.369 2.458 -0.604 302 HE2 PHE 48 2HE PHE 48 10.465 0.380 -4.181 303 HZ PHE 48 HZ PHE 48 9.242 2.203 -3.054 304 H ASP 49 H ASP 49 13.618 -1.305 2.594 305 HA ASP 49 HA ASP 49 15.578 -3.537 2.132 306 1HB ASP 49 2HB ASP 49 16.552 -2.943 4.363 307 2HB ASP 49 1HB ASP 49 16.744 -1.656 3.168 308 H PHE 50 H PHE 50 12.476 -3.077 2.760 309 HA PHE 50 HA PHE 50 12.195 -4.593 5.239 310 1HB PHE 50 2HB PHE 50 9.746 -4.650 4.570 311 2HB PHE 50 1HB PHE 50 10.439 -3.030 4.710 312 HD1 PHE 50 1HD PHE 50 9.870 -1.542 3.039 313 HD2 PHE 50 2HD PHE 50 10.129 -5.713 2.078 314 HE1 PHE 50 1HE PHE 50 9.175 -1.067 0.711 315 HE2 PHE 50 2HE PHE 50 9.506 -5.204 -0.262 316 HZ PHE 50 HZ PHE 50 9.000 -2.902 -0.942 317 H SER 51 H SER 51 10.954 -6.705 5.231 318 HA SER 51 HA SER 51 11.330 -8.303 2.744 319 1HB SER 51 2HB SER 51 13.411 -8.570 4.103 320 2HB SER 51 1HB SER 51 12.430 -9.157 5.451 321 HG SER 51 HG SER 51 12.926 -10.365 2.950 322 H VAL 52 H VAL 52 8.964 -7.290 4.123 323 HA VAL 52 HA VAL 52 7.665 -9.021 5.849 324 HB VAL 52 HB VAL 52 6.552 -7.632 3.394 325 1HG1 VAL 52 1HG1 VAL 52 5.119 -9.550 4.096 326 2HG1 VAL 52 2HG1 VAL 52 4.343 -8.002 4.348 327 3HG1 VAL 52 3HG1 VAL 52 5.052 -8.870 5.707 328 1HG2 VAL 52 1HG2 VAL 52 5.679 -6.066 5.115 329 2HG2 VAL 52 2HG2 VAL 52 7.439 -6.112 5.084 330 3HG2 VAL 52 3HG2 VAL 52 6.553 -6.959 6.350 331 H SER 53 H SER 53 7.986 -9.407 2.303 332 HA SER 53 HA SER 53 8.306 -12.187 2.344 333 1HB SER 53 2HB SER 53 5.614 -11.513 3.024 334 2HB SER 53 1HB SER 53 5.565 -12.108 1.389 335 HG SER 53 HG SER 53 6.467 -13.413 3.705 336 H SER 54 H SER 54 8.200 -13.128 0.176 337 HA SER 54 HA SER 54 9.007 -11.354 -1.886 338 1HB SER 54 2HB SER 54 7.740 -13.860 -2.851 339 2HB SER 54 1HB SER 54 9.366 -13.239 -3.061 340 HG SER 54 HG SER 54 10.001 -14.110 -1.184 341 HA PRO 55 HA PRO 55 4.589 -11.761 -3.691 342 1HB PRO 55 2HB PRO 55 2.678 -12.929 -2.114 343 2HB PRO 55 1HB PRO 55 3.704 -13.811 -3.239 344 1HG PRO 55 2HG PRO 55 3.875 -13.687 -0.255 345 2HG PRO 55 1HG PRO 55 4.358 -14.995 -1.350 346 1HD PRO 55 2HD PRO 55 6.059 -13.151 -0.141 347 2HD PRO 55 1HD PRO 55 6.477 -14.215 -1.458 348 H TYR 56 H TYR 56 4.998 -9.507 -3.120 349 HA TYR 56 HA TYR 56 3.823 -8.412 -0.687 350 1HB TYR 56 2HB TYR 56 4.973 -7.213 -3.167 351 2HB TYR 56 1HB TYR 56 4.331 -6.184 -1.915 352 HD1 TYR 56 1HD TYR 56 5.171 -6.928 0.542 353 HD2 TYR 56 2HD TYR 56 7.254 -7.521 -3.164 354 HE1 TYR 56 1HE TYR 56 7.329 -7.019 1.759 355 HE2 TYR 56 2HE TYR 56 9.407 -7.623 -1.944 356 HH TYR 56 HH TYR 56 9.844 -8.278 1.008 357 H TYR 57 H TYR 57 2.464 -6.206 -1.370 358 HA TYR 57 HA TYR 57 0.535 -6.560 -3.491 359 1HB TYR 57 2HB TYR 57 -0.245 -7.069 -0.616 360 2HB TYR 57 1HB TYR 57 -1.447 -6.674 -1.876 361 HD1 TYR 57 1HD TYR 57 -0.812 -8.071 -4.175 362 HD2 TYR 57 2HD TYR 57 -0.243 -9.299 -0.135 363 HE1 TYR 57 1HE TYR 57 -0.808 -10.440 -4.907 364 HE2 TYR 57 2HE TYR 57 -0.246 -11.696 -0.854 365 HH TYR 57 HH TYR 57 -0.807 -13.123 -2.615 366 H GLU 58 H GLU 58 0.244 -4.500 -4.152 367 HA GLU 58 HA GLU 58 0.639 -2.308 -2.171 368 1HB GLU 58 2HB GLU 58 0.162 -1.835 -5.072 369 2HB GLU 58 1HB GLU 58 1.104 -0.910 -3.953 370 1HG GLU 58 2HG GLU 58 2.937 -1.965 -4.597 371 2HG GLU 58 1HG GLU 58 2.273 -3.493 -4.053 372 H TRP 59 H TRP 59 -0.891 -0.767 -1.757 373 HA TRP 59 HA TRP 59 -3.477 -0.761 -3.095 374 1HB TRP 59 2HB TRP 59 -4.047 -2.559 -1.665 375 2HB TRP 59 1HB TRP 59 -3.110 -1.908 -0.315 376 HD1 TRP 59 HD TRP 59 -4.180 0.041 1.096 377 HE1 TRP 59 1HE TRP 59 -6.617 0.790 1.418 378 HE3 TRP 59 3HE TRP 59 -6.344 -2.329 -2.885 379 HZ2 TRP 59 2HZ TRP 59 -9.154 0.414 0.128 380 HZ3 TRP 59 3HZ TRP 59 -8.767 -2.117 -3.292 381 HH2 TRP 59 HH TRP 59 -10.186 -0.754 -1.810 382 HA PRO 60 HA PRO 60 -2.882 3.425 -1.776 383 1HB PRO 60 2HB PRO 60 -5.465 4.339 -2.027 384 2HB PRO 60 1HB PRO 60 -4.354 4.088 -3.373 385 1HG PRO 60 2HG PRO 60 -6.599 2.331 -2.450 386 2HG PRO 60 1HG PRO 60 -6.048 2.628 -4.078 387 1HD PRO 60 2HD PRO 60 -5.466 0.378 -2.667 388 2HD PRO 60 1HD PRO 60 -4.463 0.959 -3.954 389 H ILE 61 H ILE 61 -2.883 4.514 0.110 390 HA ILE 61 HA ILE 61 -4.540 3.408 2.351 391 HB ILE 61 HB ILE 61 -2.348 3.069 3.029 392 1HG1 ILE 61 2HG1 ILE 61 -1.760 4.767 4.679 393 2HG1 ILE 61 1HG1 ILE 61 -2.760 5.955 3.870 394 1HG2 ILE 61 1HG2 ILE 61 -1.162 3.939 1.164 395 2HG2 ILE 61 2HG2 ILE 61 -0.529 4.797 2.556 396 3HG2 ILE 61 3HG2 ILE 61 -1.686 5.595 1.492 397 1HD1 ILE 61 1HD1 ILE 61 -4.389 5.320 5.232 398 2HD1 ILE 61 2HD1 ILE 61 -3.509 3.912 5.752 399 3HD1 ILE 61 3HD1 ILE 61 -4.497 3.850 4.324 400 H LEU 62 H LEU 62 -5.973 4.809 3.338 401 HA LEU 62 HA LEU 62 -5.698 7.736 2.730 402 1HB LEU 62 2HB LEU 62 -8.421 6.646 3.261 403 2HB LEU 62 1HB LEU 62 -7.885 7.878 2.108 404 HG LEU 62 HG LEU 62 -7.579 4.869 1.784 405 1HD1 LEU 62 1HD1 LEU 62 -9.140 5.069 0.060 406 2HD1 LEU 62 2HD1 LEU 62 -9.129 6.835 0.090 407 3HD1 LEU 62 3HD1 LEU 62 -9.858 5.921 1.408 408 1HD2 LEU 62 1HD2 LEU 62 -7.007 6.257 -0.605 409 2HD2 LEU 62 2HD2 LEU 62 -5.897 5.341 0.367 410 3HD2 LEU 62 3HD2 LEU 62 -6.070 7.082 0.622 411 H SER 63 H SER 63 -6.987 9.062 4.385 412 HA SER 63 HA SER 63 -6.787 7.770 7.093 413 1HB SER 63 2HB SER 63 -6.323 10.264 7.805 414 2HB SER 63 1HB SER 63 -5.035 9.297 7.113 415 HG SER 63 HG SER 63 -5.672 11.562 6.208 416 H SER 64 H SER 64 -9.098 8.090 5.205 417 HA SER 64 HA SER 64 -10.829 9.768 6.989 418 1HB SER 64 2HB SER 64 -10.336 10.146 4.269 419 2HB SER 64 1HB SER 64 -11.870 9.270 4.282 420 HG SER 64 HG SER 64 -11.226 11.759 5.438 421 H GLY 65 H GLY 65 -10.169 6.633 5.773 422 1HA GLY 65 2HA GLY 65 -11.232 4.627 6.281 423 2HA GLY 65 1HA GLY 65 -12.439 5.526 7.202 424 H ASP 66 H ASP 66 -11.669 6.289 3.842 425 HA ASP 66 HA ASP 66 -14.460 5.497 3.139 426 1HB ASP 66 2HB ASP 66 -13.418 7.888 2.749 427 2HB ASP 66 1HB ASP 66 -12.659 7.133 1.342 428 H VAL 67 H VAL 67 -11.341 4.271 2.942 429 HA VAL 67 HA VAL 67 -10.375 2.631 1.636 430 HB VAL 67 HB VAL 67 -13.181 1.970 0.671 431 1HG1 VAL 67 1HG1 VAL 67 -11.459 0.601 -0.315 432 2HG1 VAL 67 2HG1 VAL 67 -12.227 -0.357 0.930 433 3HG1 VAL 67 3HG1 VAL 67 -10.668 0.386 1.243 434 1HG2 VAL 67 1HG2 VAL 67 -13.442 2.286 3.040 435 2HG2 VAL 67 2HG2 VAL 67 -11.924 1.460 3.383 436 3HG2 VAL 67 3HG2 VAL 67 -13.305 0.557 2.766 437 H TYR 68 H TYR 68 -10.099 1.933 -0.741 438 HA TYR 68 HA TYR 68 -10.847 4.172 -2.538 439 1HB TYR 68 2HB TYR 68 -8.286 2.995 -1.909 440 2HB TYR 68 1HB TYR 68 -8.627 2.697 -3.622 441 HD1 TYR 68 1HD TYR 68 -9.848 5.577 -1.596 442 HD2 TYR 68 2HD TYR 68 -7.122 4.263 -4.606 443 HE1 TYR 68 1HE TYR 68 -9.266 7.915 -2.071 444 HE2 TYR 68 2HE TYR 68 -6.546 6.600 -5.129 445 HH TYR 68 HH TYR 68 -6.768 8.979 -3.417 446 H SER 69 H SER 69 -12.253 3.668 -4.074 447 HA SER 69 HA SER 69 -12.146 0.958 -5.258 448 1HB SER 69 2HB SER 69 -14.896 1.941 -4.915 449 2HB SER 69 1HB SER 69 -14.206 0.351 -4.579 450 HG SER 69 HG SER 69 -14.316 2.626 -2.931 451 H GLY 70 H GLY 70 -11.102 2.252 -6.972 452 1HA GLY 70 2HA GLY 70 -12.643 2.706 -9.217 453 2HA GLY 70 1HA GLY 70 -12.721 4.260 -8.382 454 H GLY 71 H GLY 71 -9.928 2.042 -8.457 455 1HA GLY 71 2HA GLY 71 -7.698 2.570 -8.971 456 2HA GLY 71 1HA GLY 71 -8.414 3.026 -10.511 457 H SER 72 H SER 72 -7.066 4.842 -10.878 458 HA SER 72 HA SER 72 -6.516 7.103 -10.736 459 1HB SER 72 2HB SER 72 -9.084 7.160 -10.298 460 2HB SER 72 1HB SER 72 -8.648 7.502 -8.625 461 HG SER 72 HG SER 72 -7.671 9.361 -9.253 462 HA PRO 73 HA PRO 73 -4.291 6.194 -6.743 463 1HB PRO 73 2HB PRO 73 -1.814 5.996 -7.881 464 2HB PRO 73 1HB PRO 73 -2.915 4.632 -7.715 465 1HG PRO 73 2HG PRO 73 -2.223 6.192 -10.173 466 2HG PRO 73 1HG PRO 73 -2.735 4.502 -10.029 467 1HD PRO 73 2HD PRO 73 -4.373 6.678 -10.813 468 2HD PRO 73 1HD PRO 73 -4.925 5.058 -10.353 469 H GLY 74 H GLY 74 -2.112 7.421 -6.077 470 1HA GLY 74 2HA GLY 74 -1.405 9.874 -7.287 471 2HA GLY 74 1HA GLY 74 -2.752 10.233 -6.204 472 H ALA 75 H ALA 75 0.487 8.714 -6.260 473 HA ALA 75 HA ALA 75 2.139 8.794 -4.625 474 1HB ALA 75 1HB ALA 75 0.567 10.683 -2.940 475 2HB ALA 75 2HB ALA 75 1.172 11.205 -4.499 476 3HB ALA 75 3HB ALA 75 2.285 10.650 -3.286 477 H ASP 76 H ASP 76 1.407 9.305 -1.712 478 HA ASP 76 HA ASP 76 1.365 7.605 -0.034 479 1HB ASP 76 2HB ASP 76 -1.485 8.361 -0.759 480 2HB ASP 76 1HB ASP 76 -0.971 7.706 0.804 481 H ARG 77 H ARG 77 1.727 5.437 -0.132 482 HA ARG 77 HA ARG 77 -0.457 3.653 -0.833 483 1HB ARG 77 2HB ARG 77 1.441 4.373 -2.886 484 2HB ARG 77 1HB ARG 77 1.693 2.673 -2.487 485 1HG ARG 77 2HG ARG 77 -0.403 2.028 -3.147 486 2HG ARG 77 1HG ARG 77 -1.128 3.599 -2.821 487 1HD ARG 77 2HD ARG 77 -0.955 4.141 -4.951 488 2HD ARG 77 1HD ARG 77 0.807 4.068 -4.840 489 HE ARG 77 HE ARG 77 -0.200 1.448 -5.073 490 1HH1 ARG 77 1HH1 ARG 77 0.960 3.683 -7.303 491 2HH1 ARG 77 2HH1 ARG 77 -0.100 3.219 -8.589 492 1HH2 ARG 77 1HH2 ARG 77 -1.987 1.092 -6.582 493 2HH2 ARG 77 2HH2 ARG 77 -1.793 1.756 -8.172 494 H VAL 78 H VAL 78 -0.254 1.872 0.482 495 HA VAL 78 HA VAL 78 2.486 1.341 1.583 496 HB VAL 78 HB VAL 78 0.643 2.203 3.172 497 1HG1 VAL 78 1HG1 VAL 78 -0.284 -0.664 3.076 498 2HG1 VAL 78 2HG1 VAL 78 -1.071 0.576 2.098 499 3HG1 VAL 78 3HG1 VAL 78 -1.051 0.713 3.854 500 1HG2 VAL 78 1HG2 VAL 78 1.337 0.585 4.907 501 2HG2 VAL 78 2HG2 VAL 78 2.665 1.214 4.018 502 3HG2 VAL 78 3HG2 VAL 78 2.084 -0.419 3.690 503 H VAL 79 H VAL 79 3.212 -0.791 1.529 504 HA VAL 79 HA VAL 79 1.466 -2.667 0.000 505 HB VAL 79 HB VAL 79 4.204 -3.620 0.262 506 1HG1 VAL 79 1HG1 VAL 79 2.358 -2.857 -1.968 507 2HG1 VAL 79 2HG1 VAL 79 2.871 -4.442 -1.472 508 3HG1 VAL 79 3HG1 VAL 79 3.988 -3.384 -2.272 509 1HG2 VAL 79 1HG2 VAL 79 4.901 -1.330 0.484 510 2HG2 VAL 79 2HG2 VAL 79 3.812 -0.827 -0.807 511 3HG2 VAL 79 3HG2 VAL 79 5.213 -1.833 -1.175 512 H PHE 80 H PHE 80 2.382 -5.041 0.487 513 HA PHE 80 HA PHE 80 3.002 -5.707 3.172 514 1HB PHE 80 2HB PHE 80 0.772 -6.361 3.961 515 2HB PHE 80 1HB PHE 80 0.759 -4.661 3.565 516 HD1 PHE 80 1HD PHE 80 -0.739 -7.820 2.950 517 HD2 PHE 80 2HD PHE 80 -0.067 -3.961 1.210 518 HE1 PHE 80 1HE PHE 80 -2.592 -8.212 1.354 519 HE2 PHE 80 2HE PHE 80 -1.898 -4.350 -0.391 520 HZ PHE 80 HZ PHE 80 -3.179 -6.474 -0.315 521 H ASN 81 H ASN 81 1.727 -8.151 3.423 522 HA ASN 81 HA ASN 81 2.302 -9.478 0.797 523 1HB ASN 81 2HB ASN 81 3.418 -11.243 1.872 524 2HB ASN 81 1HB ASN 81 4.009 -9.817 2.695 525 1HD2 ASN 81 1HD2 ASN 81 2.685 -9.247 4.770 526 2HD2 ASN 81 2HD2 ASN 81 2.178 -10.590 5.697 527 H GLU 82 H GLU 82 0.415 -9.604 3.786 528 HA GLU 82 HA GLU 82 -2.015 -10.241 2.799 529 1HB GLU 82 2HB GLU 82 -2.085 -12.809 3.035 530 2HB GLU 82 1HB GLU 82 -1.320 -12.187 1.581 531 1HG GLU 82 2HG GLU 82 0.875 -12.608 2.422 532 2HG GLU 82 1HG GLU 82 0.276 -12.834 4.067 533 H ASN 83 H ASN 83 0.390 -10.946 5.202 534 HA ASN 83 HA ASN 83 -1.577 -11.654 7.236 535 1HB ASN 83 2HB ASN 83 1.288 -11.946 6.916 536 2HB ASN 83 1HB ASN 83 0.969 -11.098 8.428 537 1HD2 ASN 83 1HD2 ASN 83 0.561 -14.131 6.725 538 2HD2 ASN 83 2HD2 ASN 83 -0.052 -14.990 8.093 539 H ASN 84 H ASN 84 -0.507 -8.788 5.836 540 HA ASN 84 HA ASN 84 -0.989 -6.614 6.404 541 1HB ASN 84 2HB ASN 84 -2.927 -7.834 7.722 542 2HB ASN 84 1HB ASN 84 -1.957 -7.452 9.150 543 1HD2 ASN 84 1HD2 ASN 84 -4.533 -6.291 7.634 544 2HD2 ASN 84 2HD2 ASN 84 -4.270 -4.599 7.852 545 H GLN 85 H GLN 85 1.523 -7.993 7.014 546 HA GLN 85 HA GLN 85 2.475 -7.006 9.601 547 1HB GLN 85 2HB GLN 85 4.483 -7.588 7.460 548 2HB GLN 85 1HB GLN 85 4.412 -8.134 9.142 549 1HG GLN 85 2HG GLN 85 2.253 -9.464 8.110 550 2HG GLN 85 1HG GLN 85 3.315 -9.347 6.718 551 1HE2 GLN 85 1HE2 GLN 85 4.711 -11.073 6.553 552 2HE2 GLN 85 2HE2 GLN 85 5.291 -11.973 7.908 553 H LEU 86 H LEU 86 2.219 -5.824 6.330 554 HA LEU 86 HA LEU 86 2.371 -3.648 5.599 555 1HB LEU 86 2HB LEU 86 2.112 -3.117 8.186 556 2HB LEU 86 1HB LEU 86 3.844 -2.777 8.099 557 HG LEU 86 HG LEU 86 2.726 -0.698 7.710 558 1HD1 LEU 86 1HD1 LEU 86 4.654 -1.454 6.153 559 2HD1 LEU 86 2HD1 LEU 86 3.688 -0.082 5.681 560 3HD1 LEU 86 3HD1 LEU 86 3.388 -1.635 4.925 561 1HD2 LEU 86 1HD2 LEU 86 0.569 -1.950 7.012 562 2HD2 LEU 86 2HD2 LEU 86 1.226 -1.875 5.370 563 3HD2 LEU 86 3HD2 LEU 86 0.925 -0.418 6.284 564 H ALA 87 H ALA 87 3.848 -3.637 3.981 565 HA ALA 87 HA ALA 87 6.646 -4.379 4.425 566 1HB ALA 87 1HB ALA 87 6.904 -4.034 2.041 567 2HB ALA 87 2HB ALA 87 5.347 -3.209 1.965 568 3HB ALA 87 3HB ALA 87 5.413 -4.934 2.323 569 H GLY 88 H GLY 88 4.849 -1.415 3.736 570 1HA GLY 88 2HA GLY 88 6.384 0.348 5.221 571 2HA GLY 88 1HA GLY 88 7.250 0.235 3.688 572 H VAL 89 H VAL 89 6.241 2.685 4.342 573 HA VAL 89 HA VAL 89 3.633 2.934 2.888 574 HB VAL 89 HB VAL 89 5.194 4.822 4.641 575 1HG1 VAL 89 1HG1 VAL 89 2.844 5.316 2.827 576 2HG1 VAL 89 2HG1 VAL 89 4.292 6.291 3.032 577 3HG1 VAL 89 3HG1 VAL 89 3.074 6.278 4.282 578 1HG2 VAL 89 1HG2 VAL 89 3.866 3.174 5.879 579 2HG2 VAL 89 2HG2 VAL 89 2.499 3.460 4.827 580 3HG2 VAL 89 3HG2 VAL 89 2.995 4.703 5.932 581 H ILE 90 H ILE 90 4.497 2.609 0.778 582 HA ILE 90 HA ILE 90 6.559 4.489 -0.206 583 HB ILE 90 HB ILE 90 6.444 3.217 -2.254 584 1HG1 ILE 90 2HG1 ILE 90 4.036 1.934 -0.932 585 2HG1 ILE 90 1HG1 ILE 90 4.093 2.701 -2.512 586 1HG2 ILE 90 1HG2 ILE 90 6.304 1.211 -0.030 587 2HG2 ILE 90 2HG2 ILE 90 7.596 2.386 -0.113 588 3HG2 ILE 90 3HG2 ILE 90 7.371 1.235 -1.428 589 1HD1 ILE 90 1HD1 ILE 90 5.516 0.860 -3.306 590 2HD1 ILE 90 2HD1 ILE 90 4.024 0.259 -2.645 591 3HD1 ILE 90 3HD1 ILE 90 5.503 0.154 -1.726 592 H THR 91 H THR 91 6.106 6.126 -1.779 593 HA THR 91 HA THR 91 3.183 6.614 -2.238 594 HB THR 91 HB THR 91 4.140 8.229 -0.628 595 HG1 THR 91 1HG THR 91 3.385 10.021 -1.712 596 1HG2 THR 91 1HG2 THR 91 5.954 9.099 -2.877 597 2HG2 THR 91 2HG2 THR 91 6.502 8.082 -1.555 598 3HG2 THR 91 3HG2 THR 91 5.918 9.703 -1.238 599 H HIS 92 H HIS 92 2.591 6.950 -4.320 600 HA HIS 92 HA HIS 92 4.638 6.796 -6.405 601 1HB HIS 92 2HB HIS 92 1.856 6.104 -6.163 602 2HB HIS 92 1HB HIS 92 1.979 7.249 -7.483 603 HD1 HIS 92 1HD HIS 92 4.744 4.857 -6.671 604 HD2 HIS 92 2HD HIS 92 1.654 5.187 -9.405 605 HE1 HIS 92 1HE HIS 92 5.363 3.381 -8.610 606 HE2 HIS 92 2HE HIS 92 3.224 3.184 -9.964 607 H THR 93 H THR 93 5.574 8.901 -5.772 608 HA THR 93 HA THR 93 4.826 10.967 -7.582 609 HB THR 93 HB THR 93 3.713 11.229 -4.781 610 HG1 THR 93 1HG THR 93 2.681 11.811 -7.391 611 1HG2 THR 93 1HG2 THR 93 3.298 13.668 -5.507 612 2HG2 THR 93 2HG2 THR 93 4.633 13.433 -6.629 613 3HG2 THR 93 3HG2 THR 93 4.891 13.256 -4.887 614 H GLY 94 H GLY 94 6.399 10.084 -4.542 615 1HA GLY 94 2HA GLY 94 8.178 12.327 -4.408 616 2HA GLY 94 1HA GLY 94 8.404 10.778 -3.597 617 H ALA 95 H ALA 95 8.013 9.786 -6.663 618 HA ALA 95 HA ALA 95 10.800 10.377 -7.526 619 1HB ALA 95 1HB ALA 95 11.285 8.330 -6.661 620 2HB ALA 95 2HB ALA 95 10.655 7.775 -8.203 621 3HB ALA 95 3HB ALA 95 9.630 7.757 -6.757 622 H SER 96 H SER 96 10.722 11.049 -9.623 623 HA SER 96 HA SER 96 9.828 11.467 -11.738 624 1HB SER 96 2HB SER 96 10.108 8.628 -11.326 625 2HB SER 96 1HB SER 96 8.709 8.885 -12.355 626 HG SER 96 HG SER 96 10.557 8.799 -13.617 627 H GLY 97 H GLY 97 7.579 10.453 -13.075 628 1HA GLY 97 2HA GLY 97 5.466 11.995 -12.275 629 2HA GLY 97 1HA GLY 97 5.226 10.434 -13.063 630 H ASN 98 H ASN 98 5.546 8.503 -11.456 631 HA ASN 98 HA ASN 98 4.781 9.123 -8.701 632 1HB ASN 98 2HB ASN 98 2.860 7.202 -9.390 633 2HB ASN 98 1HB ASN 98 2.550 8.871 -9.069 634 1HD2 ASN 98 1HD2 ASN 98 1.130 9.517 -10.640 635 2HD2 ASN 98 2HD2 ASN 98 1.353 9.194 -12.321 636 H ASN 99 H ASN 99 6.753 8.032 -8.184 637 HA ASN 99 HA ASN 99 6.751 5.097 -8.805 638 1HB ASN 99 2HB ASN 99 8.791 6.943 -9.255 639 2HB ASN 99 1HB ASN 99 9.235 6.196 -7.728 640 1HD2 ASN 99 1HD2 ASN 99 9.294 5.748 -11.085 641 2HD2 ASN 99 2HD2 ASN 99 9.741 4.080 -11.045 642 H PHE 100 H PHE 100 6.905 3.692 -7.054 643 HA PHE 100 HA PHE 100 6.112 4.788 -4.473 644 1HB PHE 100 2HB PHE 100 7.057 1.955 -4.478 645 2HB PHE 100 1HB PHE 100 5.603 2.718 -3.898 646 HD1 PHE 100 1HD PHE 100 7.189 1.422 -6.944 647 HD2 PHE 100 2HD PHE 100 3.576 2.803 -5.082 648 HE1 PHE 100 1HE PHE 100 5.870 0.519 -8.843 649 HE2 PHE 100 2HE PHE 100 2.265 1.930 -6.993 650 HZ PHE 100 HZ PHE 100 3.405 0.789 -8.873 651 H VAL 101 H VAL 101 7.401 5.111 -2.690 652 HA VAL 101 HA VAL 101 10.100 4.013 -2.500 653 HB VAL 101 HB VAL 101 11.209 6.241 -2.389 654 1HG1 VAL 101 1HG1 VAL 101 9.860 6.009 -5.083 655 2HG1 VAL 101 2HG1 VAL 101 10.969 4.760 -4.516 656 3HG1 VAL 101 3HG1 VAL 101 11.525 6.406 -4.686 657 1HG2 VAL 101 1HG2 VAL 101 8.534 7.211 -3.464 658 2HG2 VAL 101 2HG2 VAL 101 10.003 8.173 -3.348 659 3HG2 VAL 101 3HG2 VAL 101 9.219 7.601 -1.887 660 H GLU 102 H GLU 102 10.844 4.139 -0.384 661 HA GLU 102 HA GLU 102 9.064 4.187 1.739 662 1HB GLU 102 2HB GLU 102 11.859 5.286 2.131 663 2HB GLU 102 1HB GLU 102 10.904 4.276 3.211 664 1HG GLU 102 2HG GLU 102 12.069 2.551 2.398 665 2HG GLU 102 1HG GLU 102 11.034 2.685 1.007 666 H CYS 103 H CYS 103 7.829 5.785 2.622 667 HA CYS 103 HA CYS 103 8.144 8.532 1.733 668 1HB CYS 103 2HB CYS 103 6.141 6.974 3.138 669 2HB CYS 103 1HB CYS 103 6.418 8.466 4.017 670 H THR 104 H THR 104 9.261 10.160 2.723 671 HA THR 104 HA THR 104 10.506 9.546 5.387 672 HB THR 104 HB THR 104 12.235 11.191 4.735 673 HG1 THR 104 1HG THR 104 10.938 11.297 2.189 674 1HG2 THR 104 1HG2 THR 104 11.733 9.137 2.566 675 2HG2 THR 104 2HG2 THR 104 12.504 8.802 4.119 676 3HG2 THR 104 3HG2 THR 104 13.276 9.888 2.966 Start of MODEL 5 1 1H ALA 1 1HT ALA 1 -0.338 10.688 16.434 2 2H ALA 1 2HT ALA 1 1.152 11.513 16.197 3 3H ALA 1 3HT ALA 1 0.708 10.984 17.765 4 HA ALA 1 HA ALA 1 2.378 9.557 16.836 5 1HB ALA 1 1HB ALA 1 -0.376 8.293 16.980 6 2HB ALA 1 2HB ALA 1 0.691 8.608 18.346 7 3HB ALA 1 3HB ALA 1 1.159 7.430 17.121 8 H CYS 2 H CYS 2 3.229 8.642 14.978 9 HA CYS 2 HA CYS 2 1.914 7.429 12.887 10 1HB CYS 2 2HB CYS 2 1.922 9.425 11.179 11 2HB CYS 2 1HB CYS 2 0.587 9.292 12.325 12 H ASP 3 H ASP 3 3.549 6.432 11.820 13 HA ASP 3 HA ASP 3 6.208 7.807 11.768 14 1HB ASP 3 2HB ASP 3 5.814 5.408 12.756 15 2HB ASP 3 1HB ASP 3 5.763 4.891 11.066 16 H TYR 4 H TYR 4 3.519 7.183 9.799 17 HA TYR 4 HA TYR 4 5.200 7.130 7.337 18 1HB TYR 4 2HB TYR 4 2.296 6.431 7.893 19 2HB TYR 4 1HB TYR 4 2.913 6.629 6.243 20 HD1 TYR 4 1HD TYR 4 2.027 4.135 8.277 21 HD2 TYR 4 2HD TYR 4 5.555 5.510 6.263 22 HE1 TYR 4 1HE TYR 4 2.925 1.827 8.287 23 HE2 TYR 4 2HE TYR 4 6.467 3.216 6.286 24 HH TYR 4 HH TYR 4 5.846 0.976 8.051 25 H THR 5 H THR 5 5.664 9.148 6.663 26 HA THR 5 HA THR 5 3.377 11.047 6.382 27 HB THR 5 HB THR 5 4.742 12.890 7.307 28 HG1 THR 5 1HG THR 5 6.826 12.315 7.052 29 1HG2 THR 5 1HG2 THR 5 4.822 10.667 9.324 30 2HG2 THR 5 2HG2 THR 5 3.280 11.302 8.759 31 3HG2 THR 5 3HG2 THR 5 4.430 12.365 9.564 32 H CYS 6 H CYS 6 3.353 11.597 4.271 33 HA CYS 6 HA CYS 6 5.998 11.986 2.897 34 1HB CYS 6 2HB CYS 6 3.621 10.369 2.158 35 2HB CYS 6 1HB CYS 6 4.235 11.396 0.860 36 H GLY 7 H GLY 7 3.705 13.608 4.225 37 1HA GLY 7 2HA GLY 7 4.003 15.913 2.454 38 2HA GLY 7 1HA GLY 7 2.357 15.277 2.534 39 H SER 8 H SER 8 4.626 15.170 5.250 40 HA SER 8 HA SER 8 4.598 16.284 7.283 41 1HB SER 8 2HB SER 8 4.260 18.317 5.671 42 2HB SER 8 1HB SER 8 2.575 18.260 6.198 43 HG SER 8 HG SER 8 4.887 18.781 7.712 44 H ASN 9 H ASN 9 2.238 14.490 6.035 45 HA ASN 9 HA ASN 9 0.017 15.183 7.790 46 1HB ASN 9 2HB ASN 9 0.618 12.994 5.799 47 2HB ASN 9 1HB ASN 9 -0.705 12.760 6.946 48 1HD2 ASN 9 1HD2 ASN 9 0.411 14.794 4.274 49 2HD2 ASN 9 2HD2 ASN 9 -1.139 15.502 3.988 50 H CYS 10 H CYS 10 -0.870 13.137 9.107 51 HA CYS 10 HA CYS 10 1.425 11.985 10.617 52 1HB CYS 10 2HB CYS 10 0.372 13.848 11.905 53 2HB CYS 10 1HB CYS 10 -1.193 13.028 11.787 54 H TYR 11 H TYR 11 0.852 10.224 8.971 55 HA TYR 11 HA TYR 11 -1.663 8.793 9.442 56 1HB TYR 11 2HB TYR 11 0.767 8.350 7.717 57 2HB TYR 11 1HB TYR 11 -0.364 7.023 7.968 58 HD1 TYR 11 1HD TYR 11 -1.517 6.824 5.946 59 HD2 TYR 11 2HD TYR 11 -1.020 10.707 7.718 60 HE1 TYR 11 1HE TYR 11 -3.045 7.808 4.255 61 HE2 TYR 11 2HE TYR 11 -2.541 11.678 6.049 62 HH TYR 11 HH TYR 11 -3.249 10.550 3.301 63 H SER 12 H SER 12 -1.954 7.486 11.157 64 HA SER 12 HA SER 12 0.315 6.603 12.767 65 1HB SER 12 2HB SER 12 -2.633 5.967 13.013 66 2HB SER 12 1HB SER 12 -1.398 5.611 14.229 67 HG SER 12 HG SER 12 -2.591 7.629 14.527 68 H SER 13 H SER 13 1.272 4.611 12.725 69 HA SER 13 HA SER 13 1.005 2.868 10.551 70 1HB SER 13 2HB SER 13 2.839 2.166 11.709 71 2HB SER 13 1HB SER 13 2.180 2.691 13.263 72 HG SER 13 HG SER 13 2.279 0.454 13.256 73 H SER 14 H SER 14 -0.924 3.079 13.501 74 HA SER 14 HA SER 14 -2.302 0.564 13.105 75 1HB SER 14 2HB SER 14 -2.399 1.356 15.319 76 2HB SER 14 1HB SER 14 -2.772 3.011 14.817 77 HG SER 14 HG SER 14 -4.838 2.490 14.593 78 H ASP 15 H ASP 15 -2.945 3.954 12.222 79 HA ASP 15 HA ASP 15 -5.568 3.455 11.141 80 1HB ASP 15 2HB ASP 15 -4.909 5.741 11.675 81 2HB ASP 15 1HB ASP 15 -3.530 5.643 10.573 82 H VAL 16 H VAL 16 -2.295 3.029 10.017 83 HA VAL 16 HA VAL 16 -3.024 2.764 7.218 84 HB VAL 16 HB VAL 16 -0.524 1.738 8.607 85 1HG1 VAL 16 1HG1 VAL 16 -0.909 0.912 6.308 86 2HG1 VAL 16 2HG1 VAL 16 0.455 2.022 6.359 87 3HG1 VAL 16 3HG1 VAL 16 -1.103 2.570 5.738 88 1HG2 VAL 16 1HG2 VAL 16 -0.100 3.894 9.063 89 2HG2 VAL 16 2HG2 VAL 16 -1.448 4.484 8.101 90 3HG2 VAL 16 3HG2 VAL 16 0.097 4.136 7.340 91 H SER 17 H SER 17 -2.780 0.674 10.029 92 HA SER 17 HA SER 17 -2.769 -1.827 8.637 93 1HB SER 17 2HB SER 17 -2.519 -1.094 11.264 94 2HB SER 17 1HB SER 17 -4.141 -1.790 11.261 95 HG SER 17 HG SER 17 -2.359 -3.301 11.591 96 H THR 18 H THR 18 -5.369 0.308 9.809 97 HA THR 18 HA THR 18 -7.522 -1.504 9.278 98 HB THR 18 HB THR 18 -8.583 1.046 8.777 99 HG1 THR 18 1HG THR 18 -7.431 2.472 9.962 100 1HG2 THR 18 1HG2 THR 18 -9.427 -0.617 10.382 101 2HG2 THR 18 2HG2 THR 18 -9.270 0.977 11.118 102 3HG2 THR 18 3HG2 THR 18 -8.070 -0.268 11.457 103 H ALA 19 H ALA 19 -6.000 1.021 7.283 104 HA ALA 19 HA ALA 19 -7.612 0.403 4.940 105 1HB ALA 19 1HB ALA 19 -4.907 1.682 4.790 106 2HB ALA 19 2HB ALA 19 -6.240 2.558 5.556 107 3HB ALA 19 3HB ALA 19 -6.366 2.051 3.872 108 H GLN 20 H GLN 20 -4.830 -0.980 6.452 109 HA GLN 20 HA GLN 20 -3.748 -2.195 4.077 110 1HB GLN 20 2HB GLN 20 -2.897 -1.872 6.745 111 2HB GLN 20 1HB GLN 20 -3.068 -3.601 6.578 112 1HG GLN 20 2HG GLN 20 -1.293 -1.715 5.038 113 2HG GLN 20 1HG GLN 20 -0.899 -3.204 5.898 114 1HE2 GLN 20 1HE2 GLN 20 -2.728 -5.013 4.930 115 2HE2 GLN 20 2HE2 GLN 20 -2.670 -5.088 3.224 116 H ALA 21 H ALA 21 -6.094 -3.058 6.550 117 HA ALA 21 HA ALA 21 -6.303 -5.847 5.694 118 1HB ALA 21 1HB ALA 21 -8.251 -5.902 7.211 119 2HB ALA 21 2HB ALA 21 -8.138 -4.151 7.416 120 3HB ALA 21 3HB ALA 21 -6.841 -5.192 7.998 121 H ALA 22 H ALA 22 -7.325 -2.871 4.423 122 HA ALA 22 HA ALA 22 -9.852 -3.810 3.300 123 1HB ALA 22 1HB ALA 22 -10.120 -1.653 2.545 124 2HB ALA 22 2HB ALA 22 -8.395 -1.364 2.317 125 3HB ALA 22 3HB ALA 22 -9.090 -1.367 3.937 126 H GLY 23 H GLY 23 -6.680 -2.785 1.939 127 1HA GLY 23 2HA GLY 23 -7.235 -3.850 -0.693 128 2HA GLY 23 1HA GLY 23 -5.652 -3.425 -0.061 129 H TYR 24 H TYR 24 -6.183 -5.230 2.308 130 HA TYR 24 HA TYR 24 -4.987 -7.597 1.091 131 1HB TYR 24 2HB TYR 24 -4.055 -7.028 3.217 132 2HB TYR 24 1HB TYR 24 -5.641 -6.710 3.895 133 HD1 TYR 24 1HD TYR 24 -5.554 -8.147 5.780 134 HD2 TYR 24 2HD TYR 24 -4.765 -9.672 1.837 135 HE1 TYR 24 1HE TYR 24 -5.700 -10.467 6.643 136 HE2 TYR 24 2HE TYR 24 -4.925 -11.980 2.693 137 HH TYR 24 HH TYR 24 -4.543 -12.948 5.522 138 H GLN 25 H GLN 25 -7.882 -7.080 3.161 139 HA GLN 25 HA GLN 25 -8.964 -9.624 2.919 140 1HB GLN 25 2HB GLN 25 -9.853 -7.308 4.023 141 2HB GLN 25 1HB GLN 25 -10.954 -7.404 2.656 142 1HG GLN 25 2HG GLN 25 -10.786 -10.020 3.828 143 2HG GLN 25 1HG GLN 25 -10.980 -8.844 5.136 144 1HE2 GLN 25 1HE2 GLN 25 -12.442 -9.965 2.091 145 2HE2 GLN 25 2HE2 GLN 25 -14.010 -9.340 2.463 146 H LEU 26 H LEU 26 -9.092 -6.973 0.586 147 HA LEU 26 HA LEU 26 -10.896 -8.343 -1.244 148 1HB LEU 26 2HB LEU 26 -9.139 -5.899 -1.294 149 2HB LEU 26 1HB LEU 26 -9.637 -6.555 -2.848 150 HG LEU 26 HG LEU 26 -11.141 -4.746 -1.681 151 1HD1 LEU 26 1HD1 LEU 26 -11.659 -6.966 -3.364 152 2HD1 LEU 26 2HD1 LEU 26 -12.429 -5.404 -3.390 153 3HD1 LEU 26 3HD1 LEU 26 -13.090 -6.694 -2.389 154 1HD2 LEU 26 1HD2 LEU 26 -11.182 -6.064 0.501 155 2HD2 LEU 26 2HD2 LEU 26 -12.252 -7.218 -0.306 156 3HD2 LEU 26 3HD2 LEU 26 -12.734 -5.542 -0.124 157 H HIS 27 H HIS 27 -7.378 -8.034 -0.971 158 HA HIS 27 HA HIS 27 -6.730 -9.337 -3.410 159 1HB HIS 27 2HB HIS 27 -4.923 -8.254 -2.365 160 2HB HIS 27 1HB HIS 27 -5.284 -8.958 -0.784 161 HD1 HIS 27 1HD HIS 27 -4.782 -10.720 -4.128 162 HD2 HIS 27 2HD HIS 27 -3.126 -10.595 -0.300 163 HE1 HIS 27 1HE HIS 27 -3.021 -12.531 -4.053 164 HE2 HIS 27 2HE HIS 27 -2.345 -12.683 -1.627 165 H GLU 28 H GLU 28 -7.610 -10.658 -0.264 166 HA GLU 28 HA GLU 28 -6.906 -13.403 -1.097 167 1HB GLU 28 2HB GLU 28 -8.030 -13.968 1.162 168 2HB GLU 28 1HB GLU 28 -6.544 -13.010 1.209 169 1HG GLU 28 2HG GLU 28 -7.705 -10.995 1.605 170 2HG GLU 28 1HG GLU 28 -9.259 -11.706 1.176 171 H ASP 29 H ASP 29 -9.746 -11.338 -0.970 172 HA ASP 29 HA ASP 29 -11.564 -13.617 -1.343 173 1HB ASP 29 2HB ASP 29 -12.037 -11.307 -0.156 174 2HB ASP 29 1HB ASP 29 -12.364 -10.732 -1.796 175 H GLY 30 H GLY 30 -9.475 -11.880 -3.350 176 1HA GLY 30 2HA GLY 30 -9.206 -12.262 -5.662 177 2HA GLY 30 1HA GLY 30 -10.828 -12.946 -5.751 178 H GLU 31 H GLU 31 -11.933 -10.575 -4.224 179 HA GLU 31 HA GLU 31 -12.716 -8.998 -6.420 180 1HB GLU 31 2HB GLU 31 -12.716 -8.570 -3.429 181 2HB GLU 31 1HB GLU 31 -13.383 -7.339 -4.525 182 1HG GLU 31 2HG GLU 31 -14.303 -10.117 -4.987 183 2HG GLU 31 1HG GLU 31 -14.807 -9.363 -3.469 184 H THR 32 H THR 32 -12.311 -6.326 -5.752 185 HA THR 32 HA THR 32 -9.449 -5.871 -5.358 186 HB THR 32 HB THR 32 -9.683 -4.500 -7.711 187 HG1 THR 32 1HG THR 32 -11.079 -6.919 -8.245 188 1HG2 THR 32 1HG2 THR 32 -7.973 -6.253 -6.953 189 2HG2 THR 32 2HG2 THR 32 -8.287 -6.090 -8.661 190 3HG2 THR 32 3HG2 THR 32 -9.009 -7.411 -7.760 191 H VAL 33 H VAL 33 -11.444 -3.700 -7.280 192 HA VAL 33 HA VAL 33 -11.969 -2.058 -4.843 193 HB VAL 33 HB VAL 33 -11.394 -0.084 -6.598 194 1HG1 VAL 33 1HG1 VAL 33 -9.409 0.233 -5.441 195 2HG1 VAL 33 2HG1 VAL 33 -9.085 -1.494 -5.320 196 3HG1 VAL 33 3HG1 VAL 33 -10.324 -0.766 -4.320 197 1HG2 VAL 33 1HG2 VAL 33 -10.885 -1.828 -8.373 198 2HG2 VAL 33 2HG2 VAL 33 -9.475 -2.223 -7.382 199 3HG2 VAL 33 3HG2 VAL 33 -9.660 -0.597 -8.048 200 H GLY 34 H GLY 34 -13.225 0.052 -6.093 201 1HA GLY 34 2HA GLY 34 -15.822 -0.656 -6.397 202 2HA GLY 34 1HA GLY 34 -15.134 0.716 -7.265 203 H SER 35 H SER 35 -13.325 -0.802 -8.932 204 HA SER 35 HA SER 35 -14.677 -2.915 -10.315 205 1HB SER 35 2HB SER 35 -16.304 -1.350 -11.077 206 2HB SER 35 1HB SER 35 -15.087 -0.095 -11.346 207 HG SER 35 HG SER 35 -14.547 -1.008 -13.207 208 H ASN 36 H ASN 36 -12.643 -0.036 -10.953 209 HA ASN 36 HA ASN 36 -11.062 -1.113 -13.004 210 1HB ASN 36 2HB ASN 36 -10.173 0.723 -10.740 211 2HB ASN 36 1HB ASN 36 -9.313 0.496 -12.271 212 1HD2 ASN 36 1HD2 ASN 36 -10.827 0.898 -14.267 213 2HD2 ASN 36 2HD2 ASN 36 -11.876 2.262 -14.113 214 H SER 37 H SER 37 -9.431 -0.746 -9.884 215 HA SER 37 HA SER 37 -9.109 -3.308 -8.981 216 1HB SER 37 2HB SER 37 -6.782 -3.757 -10.273 217 2HB SER 37 1HB SER 37 -8.320 -4.363 -10.842 218 HG SER 37 HG SER 37 -7.017 -3.143 -12.405 219 H TYR 38 H TYR 38 -6.619 -3.592 -8.111 220 HA TYR 38 HA TYR 38 -4.977 -1.377 -7.862 221 1HB TYR 38 2HB TYR 38 -7.364 -0.938 -6.373 222 2HB TYR 38 1HB TYR 38 -6.106 -1.242 -5.190 223 HD1 TYR 38 1HD TYR 38 -7.625 1.408 -6.416 224 HD2 TYR 38 2HD TYR 38 -3.684 -0.307 -6.487 225 HE1 TYR 38 1HE TYR 38 -6.647 3.652 -6.802 226 HE2 TYR 38 2HE TYR 38 -2.713 1.922 -6.878 227 HH TYR 38 HH TYR 38 -3.439 4.133 -7.808 228 HA PRO 39 HA PRO 39 -3.848 -4.326 -4.302 229 1HB PRO 39 2HB PRO 39 -5.453 -6.495 -3.886 230 2HB PRO 39 1HB PRO 39 -5.619 -4.949 -3.060 231 1HG PRO 39 2HG PRO 39 -7.291 -6.092 -5.235 232 2HG PRO 39 1HG PRO 39 -7.750 -4.950 -3.969 233 1HD PRO 39 2HD PRO 39 -7.194 -4.312 -6.638 234 2HD PRO 39 1HD PRO 39 -7.311 -3.155 -5.313 235 H HIS 40 H HIS 40 -2.155 -4.919 -5.638 236 HA HIS 40 HA HIS 40 -2.369 -7.642 -6.819 237 1HB HIS 40 2HB HIS 40 -0.663 -6.039 -8.539 238 2HB HIS 40 1HB HIS 40 -2.099 -6.985 -8.949 239 HD1 HIS 40 1HD HIS 40 -4.356 -5.801 -8.999 240 HD2 HIS 40 2HD HIS 40 -1.164 -3.245 -8.248 241 HE1 HIS 40 1HE HIS 40 -5.165 -3.472 -9.419 242 HE2 HIS 40 2HE HIS 40 -3.221 -1.938 -9.130 243 H LYS 41 H LYS 41 -0.563 -8.857 -6.473 244 HA LYS 41 HA LYS 41 1.201 -8.297 -4.481 245 1HB LYS 41 2HB LYS 41 2.566 -10.085 -5.223 246 2HB LYS 41 1HB LYS 41 0.953 -10.460 -5.822 247 1HG LYS 41 2HG LYS 41 1.901 -10.694 -7.803 248 2HG LYS 41 1HG LYS 41 1.910 -8.958 -7.919 249 1HD LYS 41 2HD LYS 41 4.153 -9.130 -8.136 250 2HD LYS 41 1HD LYS 41 4.212 -9.483 -6.408 251 1HE LYS 41 2HE LYS 41 5.391 -11.226 -7.600 252 2HE LYS 41 1HE LYS 41 3.887 -11.916 -6.974 253 1HZ LYS 41 1HZ LYS 41 4.482 -12.395 -9.381 254 2HZ LYS 41 2HZ LYS 41 4.063 -10.796 -9.723 255 3HZ LYS 41 3HZ LYS 41 2.911 -11.861 -9.088 256 H TYR 42 H TYR 42 3.006 -7.047 -4.177 257 HA TYR 42 HA TYR 42 3.805 -5.271 -6.388 258 1HB TYR 42 2HB TYR 42 3.292 -4.255 -4.191 259 2HB TYR 42 1HB TYR 42 4.543 -5.219 -3.452 260 HD1 TYR 42 1HD TYR 42 4.350 -3.237 -6.606 261 HD2 TYR 42 2HD TYR 42 6.391 -3.945 -2.894 262 HE1 TYR 42 1HE TYR 42 6.035 -1.556 -7.201 263 HE2 TYR 42 2HE TYR 42 8.061 -2.213 -3.484 264 HH TYR 42 HH TYR 42 8.752 -1.188 -6.316 265 H ASN 43 H ASN 43 6.168 -4.976 -6.812 266 HA ASN 43 HA ASN 43 7.639 -7.536 -6.394 267 1HB ASN 43 2HB ASN 43 7.825 -5.351 -8.488 268 2HB ASN 43 1HB ASN 43 9.057 -6.610 -8.317 269 1HD2 ASN 43 1HD2 ASN 43 5.532 -6.207 -8.815 270 2HD2 ASN 43 2HD2 ASN 43 5.369 -7.682 -9.696 271 H ASN 44 H ASN 44 8.020 -3.999 -6.176 272 HA ASN 44 HA ASN 44 9.554 -2.739 -4.944 273 1HB ASN 44 2HB ASN 44 9.660 -3.476 -2.805 274 2HB ASN 44 1HB ASN 44 8.897 -4.975 -3.319 275 1HD2 ASN 44 1HD2 ASN 44 11.545 -3.832 -1.696 276 2HD2 ASN 44 2HD2 ASN 44 12.618 -5.154 -1.986 277 H TYR 45 H TYR 45 11.498 -2.071 -5.661 278 HA TYR 45 HA TYR 45 13.692 -3.934 -6.050 279 1HB TYR 45 2HB TYR 45 12.028 -2.977 -8.359 280 2HB TYR 45 1HB TYR 45 13.779 -2.955 -8.608 281 HD1 TYR 45 1HD TYR 45 11.224 -4.839 -9.529 282 HD2 TYR 45 2HD TYR 45 14.756 -5.244 -7.114 283 HE1 TYR 45 1HE TYR 45 11.242 -7.281 -9.960 284 HE2 TYR 45 2HE TYR 45 14.768 -7.678 -7.534 285 HH TYR 45 HH TYR 45 13.539 -9.181 -9.802 286 H GLU 46 H GLU 46 12.410 -0.689 -6.552 287 HA GLU 46 HA GLU 46 14.480 0.860 -7.214 288 1HB GLU 46 2HB GLU 46 12.115 1.256 -5.841 289 2HB GLU 46 1HB GLU 46 13.275 1.787 -4.639 290 1HG GLU 46 2HG GLU 46 13.956 2.773 -7.314 291 2HG GLU 46 1HG GLU 46 12.331 3.229 -6.798 292 H GLY 47 H GLY 47 14.054 0.296 -3.697 293 1HA GLY 47 2HA GLY 47 16.549 -0.825 -3.130 294 2HA GLY 47 1HA GLY 47 16.822 0.921 -3.141 295 H PHE 48 H PHE 48 14.218 -1.238 -1.928 296 HA PHE 48 HA PHE 48 13.956 0.494 0.460 297 1HB PHE 48 2HB PHE 48 12.487 -2.014 -0.448 298 2HB PHE 48 1HB PHE 48 12.125 -1.141 1.047 299 HD1 PHE 48 1HD PHE 48 11.022 0.999 1.035 300 HD2 PHE 48 2HD PHE 48 12.092 -0.944 -2.644 301 HE1 PHE 48 1HE PHE 48 9.600 2.577 -0.222 302 HE2 PHE 48 2HE PHE 48 10.676 0.661 -3.902 303 HZ PHE 48 HZ PHE 48 9.435 2.425 -2.684 304 H ASP 49 H ASP 49 13.681 -0.950 2.606 305 HA ASP 49 HA ASP 49 15.916 -2.952 2.618 306 1HB ASP 49 2HB ASP 49 15.421 -0.817 4.724 307 2HB ASP 49 1HB ASP 49 16.711 -2.029 4.734 308 H PHE 50 H PHE 50 12.735 -2.781 2.893 309 HA PHE 50 HA PHE 50 12.483 -4.183 5.484 310 1HB PHE 50 2HB PHE 50 10.015 -4.301 4.787 311 2HB PHE 50 1HB PHE 50 10.685 -2.692 5.034 312 HD1 PHE 50 1HD PHE 50 10.677 -5.138 2.167 313 HD2 PHE 50 2HD PHE 50 9.892 -1.149 3.524 314 HE1 PHE 50 1HE PHE 50 10.002 -4.511 -0.118 315 HE2 PHE 50 2HE PHE 50 9.194 -0.522 1.232 316 HZ PHE 50 HZ PHE 50 9.259 -2.198 -0.593 317 H SER 51 H SER 51 10.747 -6.179 5.107 318 HA SER 51 HA SER 51 11.187 -7.790 2.767 319 1HB SER 51 2HB SER 51 13.060 -8.114 5.073 320 2HB SER 51 1HB SER 51 12.521 -9.579 4.249 321 HG SER 51 HG SER 51 13.421 -8.896 2.386 322 H VAL 52 H VAL 52 8.940 -7.036 4.349 323 HA VAL 52 HA VAL 52 8.114 -8.889 6.296 324 HB VAL 52 HB VAL 52 6.494 -7.488 4.150 325 1HG1 VAL 52 1HG1 VAL 52 5.565 -8.975 6.621 326 2HG1 VAL 52 2HG1 VAL 52 5.231 -9.429 4.948 327 3HG1 VAL 52 3HG1 VAL 52 4.546 -7.958 5.604 328 1HG2 VAL 52 1HG2 VAL 52 5.898 -6.008 6.056 329 2HG2 VAL 52 2HG2 VAL 52 7.613 -5.964 5.686 330 3HG2 VAL 52 3HG2 VAL 52 7.030 -6.889 7.070 331 H SER 53 H SER 53 8.024 -9.165 2.741 332 HA SER 53 HA SER 53 8.239 -12.011 2.805 333 1HB SER 53 2HB SER 53 6.026 -12.739 2.314 334 2HB SER 53 1HB SER 53 5.801 -11.625 3.650 335 HG SER 53 HG SER 53 5.486 -9.976 1.900 336 H SER 54 H SER 54 8.382 -12.885 0.662 337 HA SER 54 HA SER 54 9.307 -11.101 -1.344 338 1HB SER 54 2HB SER 54 8.145 -13.580 -2.457 339 2HB SER 54 1HB SER 54 9.794 -12.987 -2.448 340 HG SER 54 HG SER 54 9.345 -14.953 -1.184 341 HA PRO 55 HA PRO 55 5.029 -11.566 -3.436 342 1HB PRO 55 2HB PRO 55 3.049 -12.816 -2.012 343 2HB PRO 55 1HB PRO 55 4.168 -13.652 -3.084 344 1HG PRO 55 2HG PRO 55 4.138 -13.582 -0.092 345 2HG PRO 55 1HG PRO 55 4.724 -14.856 -1.175 346 1HD PRO 55 2HD PRO 55 6.290 -12.989 0.186 347 2HD PRO 55 1HD PRO 55 6.827 -14.027 -1.125 348 H TYR 56 H TYR 56 5.268 -9.323 -2.858 349 HA TYR 56 HA TYR 56 3.984 -8.322 -0.440 350 1HB TYR 56 2HB TYR 56 5.289 -7.087 -2.870 351 2HB TYR 56 1HB TYR 56 4.386 -6.062 -1.770 352 HD1 TYR 56 1HD TYR 56 4.891 -7.051 0.859 353 HD2 TYR 56 2HD TYR 56 7.555 -6.734 -2.493 354 HE1 TYR 56 1HE TYR 56 6.811 -6.920 2.397 355 HE2 TYR 56 2HE TYR 56 9.484 -6.602 -0.944 356 HH TYR 56 HH TYR 56 10.124 -7.090 1.294 357 H TYR 57 H TYR 57 2.533 -6.148 -1.240 358 HA TYR 57 HA TYR 57 0.646 -6.803 -3.339 359 1HB TYR 57 2HB TYR 57 -0.123 -7.118 -0.417 360 2HB TYR 57 1HB TYR 57 -1.318 -6.878 -1.718 361 HD1 TYR 57 1HD TYR 57 0.811 -9.237 -0.085 362 HD2 TYR 57 2HD TYR 57 -1.362 -8.466 -3.669 363 HE1 TYR 57 1HE TYR 57 0.944 -11.664 -0.660 364 HE2 TYR 57 2HE TYR 57 -1.222 -10.864 -4.278 365 HH TYR 57 HH TYR 57 -0.396 -13.309 -2.103 366 H GLU 58 H GLU 58 0.675 -4.808 -4.177 367 HA GLU 58 HA GLU 58 0.913 -2.426 -2.520 368 1HB GLU 58 2HB GLU 58 0.755 -1.207 -4.671 369 2HB GLU 58 1HB GLU 58 1.925 -2.524 -4.744 370 1HG GLU 58 2HG GLU 58 -0.270 -3.865 -5.589 371 2HG GLU 58 1HG GLU 58 -0.713 -2.247 -6.078 372 H TRP 59 H TRP 59 -0.646 -1.035 -1.902 373 HA TRP 59 HA TRP 59 -3.302 -1.001 -3.085 374 1HB TRP 59 2HB TRP 59 -3.744 -2.871 -1.669 375 2HB TRP 59 1HB TRP 59 -2.824 -2.177 -0.329 376 HD1 TRP 59 HD TRP 59 -3.991 -0.425 1.185 377 HE1 TRP 59 1HE TRP 59 -6.435 0.318 1.468 378 HE3 TRP 59 3HE TRP 59 -6.016 -2.506 -3.023 379 HZ2 TRP 59 2HZ TRP 59 -8.930 0.054 0.064 380 HZ3 TRP 59 3HZ TRP 59 -8.429 -2.261 -3.500 381 HH2 TRP 59 HH TRP 59 -9.883 -0.998 -1.990 382 HA PRO 60 HA PRO 60 -2.595 3.143 -1.624 383 1HB PRO 60 2HB PRO 60 -5.106 4.110 -1.925 384 2HB PRO 60 1HB PRO 60 -3.997 3.871 -3.252 385 1HG PRO 60 2HG PRO 60 -6.304 2.160 -2.439 386 2HG PRO 60 1HG PRO 60 -5.710 2.476 -4.063 387 1HD PRO 60 2HD PRO 60 -5.238 0.189 -2.626 388 2HD PRO 60 1HD PRO 60 -4.205 0.731 -3.909 389 H ILE 61 H ILE 61 -3.155 4.591 0.124 390 HA ILE 61 HA ILE 61 -4.801 3.344 2.301 391 HB ILE 61 HB ILE 61 -2.657 2.861 3.086 392 1HG1 ILE 61 2HG1 ILE 61 -2.120 4.488 4.848 393 2HG1 ILE 61 1HG1 ILE 61 -3.104 5.720 4.066 394 1HG2 ILE 61 1HG2 ILE 61 -1.401 3.884 1.273 395 2HG2 ILE 61 2HG2 ILE 61 -0.724 4.409 2.802 396 3HG2 ILE 61 3HG2 ILE 61 -1.764 5.496 1.882 397 1HD1 ILE 61 1HD1 ILE 61 -5.002 3.882 4.297 398 2HD1 ILE 61 2HD1 ILE 61 -4.549 4.860 5.654 399 3HD1 ILE 61 3HD1 ILE 61 -3.913 3.254 5.494 400 H LEU 62 H LEU 62 -6.161 4.830 3.319 401 HA LEU 62 HA LEU 62 -5.760 7.725 2.638 402 1HB LEU 62 2HB LEU 62 -8.484 6.693 3.334 403 2HB LEU 62 1HB LEU 62 -7.993 7.957 2.195 404 HG LEU 62 HG LEU 62 -7.845 4.955 1.777 405 1HD1 LEU 62 1HD1 LEU 62 -9.280 5.470 -0.144 406 2HD1 LEU 62 2HD1 LEU 62 -9.252 7.185 0.276 407 3HD1 LEU 62 3HD1 LEU 62 -10.025 6.022 1.356 408 1HD2 LEU 62 1HD2 LEU 62 -7.124 6.478 -0.513 409 2HD2 LEU 62 2HD2 LEU 62 -6.163 5.277 0.305 410 3HD2 LEU 62 3HD2 LEU 62 -6.067 6.980 0.743 411 H SER 63 H SER 63 -7.086 9.120 4.283 412 HA SER 63 HA SER 63 -6.753 7.972 7.037 413 1HB SER 63 2HB SER 63 -5.312 10.159 5.830 414 2HB SER 63 1HB SER 63 -6.263 10.785 7.151 415 HG SER 63 HG SER 63 -5.256 9.446 8.551 416 H SER 64 H SER 64 -9.152 8.260 5.325 417 HA SER 64 HA SER 64 -10.638 10.305 6.942 418 1HB SER 64 2HB SER 64 -10.459 10.146 4.202 419 2HB SER 64 1HB SER 64 -11.940 9.235 4.501 420 HG SER 64 HG SER 64 -11.338 11.917 5.118 421 H GLY 65 H GLY 65 -11.220 7.196 5.235 422 1HA GLY 65 2HA GLY 65 -11.883 5.425 7.093 423 2HA GLY 65 1HA GLY 65 -13.245 6.518 7.335 424 H ASP 66 H ASP 66 -11.581 5.251 4.414 425 HA ASP 66 HA ASP 66 -14.021 3.820 3.638 426 1HB ASP 66 2HB ASP 66 -13.885 6.478 2.869 427 2HB ASP 66 1HB ASP 66 -13.169 5.676 1.467 428 H VAL 67 H VAL 67 -13.635 2.350 1.900 429 HA VAL 67 HA VAL 67 -10.791 1.622 1.633 430 HB VAL 67 HB VAL 67 -13.268 0.344 0.409 431 1HG1 VAL 67 1HG1 VAL 67 -11.150 -0.252 -0.709 432 2HG1 VAL 67 2HG1 VAL 67 -11.800 -1.619 0.175 433 3HG1 VAL 67 3HG1 VAL 67 -10.465 -0.702 0.842 434 1HG2 VAL 67 1HG2 VAL 67 -13.412 0.357 2.847 435 2HG2 VAL 67 2HG2 VAL 67 -11.760 -0.247 2.978 436 3HG2 VAL 67 3HG2 VAL 67 -13.024 -1.268 2.292 437 H TYR 68 H TYR 68 -9.548 2.055 -0.169 438 HA TYR 68 HA TYR 68 -10.341 3.980 -2.071 439 1HB TYR 68 2HB TYR 68 -7.975 2.727 -1.480 440 2HB TYR 68 1HB TYR 68 -8.338 1.981 -3.044 441 HD1 TYR 68 1HD TYR 68 -6.911 4.762 -1.480 442 HD2 TYR 68 2HD TYR 68 -9.159 3.639 -4.911 443 HE1 TYR 68 1HE TYR 68 -6.154 6.841 -2.621 444 HE2 TYR 68 2HE TYR 68 -8.423 5.693 -6.089 445 HH TYR 68 HH TYR 68 -6.002 7.372 -5.545 446 H SER 69 H SER 69 -11.398 3.851 -4.036 447 HA SER 69 HA SER 69 -11.780 1.234 -5.309 448 1HB SER 69 2HB SER 69 -13.912 2.666 -3.819 449 2HB SER 69 1HB SER 69 -14.387 2.036 -5.397 450 HG SER 69 HG SER 69 -13.474 0.634 -3.143 451 H GLY 70 H GLY 70 -10.284 3.186 -6.383 452 1HA GLY 70 2HA GLY 70 -10.128 4.105 -8.559 453 2HA GLY 70 1HA GLY 70 -11.879 4.006 -8.733 454 H GLY 71 H GLY 71 -10.351 6.333 -9.388 455 1HA GLY 71 2HA GLY 71 -11.402 8.570 -8.996 456 2HA GLY 71 1HA GLY 71 -11.315 8.250 -7.267 457 H SER 72 H SER 72 -9.323 8.777 -10.167 458 HA SER 72 HA SER 72 -7.167 9.614 -10.373 459 1HB SER 72 2HB SER 72 -7.988 10.927 -7.773 460 2HB SER 72 1HB SER 72 -6.510 11.322 -8.647 461 HG SER 72 HG SER 72 -7.671 12.123 -10.303 462 HA PRO 73 HA PRO 73 -5.362 6.397 -7.594 463 1HB PRO 73 2HB PRO 73 -3.969 5.158 -9.610 464 2HB PRO 73 1HB PRO 73 -5.644 4.788 -9.203 465 1HG PRO 73 2HG PRO 73 -4.575 6.346 -11.526 466 2HG PRO 73 1HG PRO 73 -6.063 5.392 -11.412 467 1HD PRO 73 2HD PRO 73 -5.872 8.209 -11.238 468 2HD PRO 73 1HD PRO 73 -7.287 7.232 -10.797 469 H GLY 74 H GLY 74 -2.950 5.914 -7.289 470 1HA GLY 74 2HA GLY 74 -0.642 6.598 -7.753 471 2HA GLY 74 1HA GLY 74 -1.225 8.188 -8.217 472 H ALA 75 H ALA 75 0.378 8.950 -6.584 473 HA ALA 75 HA ALA 75 0.749 9.955 -4.521 474 1HB ALA 75 1HB ALA 75 -1.885 9.003 -3.435 475 2HB ALA 75 2HB ALA 75 -1.884 10.166 -4.760 476 3HB ALA 75 3HB ALA 75 -1.070 10.553 -3.249 477 H ASP 76 H ASP 76 0.009 9.106 -1.931 478 HA ASP 76 HA ASP 76 1.899 7.200 -1.290 479 1HB ASP 76 2HB ASP 76 -0.667 8.065 0.017 480 2HB ASP 76 1HB ASP 76 0.211 6.698 0.716 481 H ARG 77 H ARG 77 1.576 4.964 -0.413 482 HA ARG 77 HA ARG 77 -0.643 3.360 -1.269 483 1HB ARG 77 2HB ARG 77 0.478 3.844 -3.491 484 2HB ARG 77 1HB ARG 77 1.900 2.987 -2.901 485 1HG ARG 77 2HG ARG 77 0.702 0.931 -2.689 486 2HG ARG 77 1HG ARG 77 -0.849 1.732 -2.973 487 1HD ARG 77 2HD ARG 77 1.410 1.468 -4.973 488 2HD ARG 77 1HD ARG 77 -0.127 0.588 -4.999 489 HE ARG 77 HE ARG 77 -1.170 2.378 -5.023 490 1HH1 ARG 77 1HH2 ARG 77 0.492 0.877 -7.047 491 2HH1 ARG 77 2HH2 ARG 77 0.480 1.894 -8.437 492 1HH2 ARG 77 1HH1 ARG 77 -0.625 4.715 -6.758 493 2HH2 ARG 77 2HH1 ARG 77 -0.170 4.050 -8.292 494 H VAL 78 H VAL 78 -0.546 2.196 0.649 495 HA VAL 78 HA VAL 78 2.033 1.418 1.779 496 HB VAL 78 HB VAL 78 -0.111 2.015 3.083 497 1HG1 VAL 78 1HG1 VAL 78 -0.739 -0.913 2.611 498 2HG1 VAL 78 2HG1 VAL 78 -1.513 0.379 1.699 499 3HG1 VAL 78 3HG1 VAL 78 -1.711 0.291 3.443 500 1HG2 VAL 78 1HG2 VAL 78 1.396 -0.517 3.692 501 2HG2 VAL 78 2HG2 VAL 78 0.474 0.377 4.865 502 3HG2 VAL 78 3HG2 VAL 78 1.904 1.096 4.144 503 H VAL 79 H VAL 79 2.762 -0.781 2.072 504 HA VAL 79 HA VAL 79 1.538 -2.729 0.138 505 HB VAL 79 HB VAL 79 4.438 -2.203 0.823 506 1HG1 VAL 79 1HG1 VAL 79 4.018 -4.687 0.802 507 2HG1 VAL 79 2HG1 VAL 79 4.967 -4.172 -0.553 508 3HG1 VAL 79 3HG1 VAL 79 3.261 -4.497 -0.759 509 1HG2 VAL 79 1HG2 VAL 79 4.668 -1.887 -1.565 510 2HG2 VAL 79 2HG2 VAL 79 3.373 -0.849 -0.964 511 3HG2 VAL 79 3HG2 VAL 79 2.981 -2.335 -1.823 512 H PHE 80 H PHE 80 1.955 -4.995 0.706 513 HA PHE 80 HA PHE 80 2.666 -5.628 3.449 514 1HB PHE 80 2HB PHE 80 0.417 -6.347 4.117 515 2HB PHE 80 1HB PHE 80 0.418 -4.647 3.694 516 HD1 PHE 80 1HD PHE 80 -1.196 -7.721 3.168 517 HD2 PHE 80 2HD PHE 80 -0.133 -4.082 1.157 518 HE1 PHE 80 1HE PHE 80 -2.972 -8.123 1.488 519 HE2 PHE 80 2HE PHE 80 -1.897 -4.481 -0.520 520 HZ PHE 80 HZ PHE 80 -3.325 -6.499 -0.362 521 H ASN 81 H ASN 81 1.463 -8.094 3.688 522 HA ASN 81 HA ASN 81 2.312 -9.493 1.177 523 1HB ASN 81 2HB ASN 81 3.282 -11.235 2.494 524 2HB ASN 81 1HB ASN 81 3.890 -9.701 3.152 525 1HD2 ASN 81 1HD2 ASN 81 2.538 -8.827 5.056 526 2HD2 ASN 81 2HD2 ASN 81 1.913 -10.010 6.138 527 H GLU 82 H GLU 82 0.281 -9.765 4.079 528 HA GLU 82 HA GLU 82 -2.092 -10.466 2.943 529 1HB GLU 82 2HB GLU 82 -2.088 -13.008 3.100 530 2HB GLU 82 1HB GLU 82 -1.145 -12.371 1.765 531 1HG GLU 82 2HG GLU 82 0.861 -12.987 2.678 532 2HG GLU 82 1HG GLU 82 0.322 -12.741 4.328 533 H ASN 83 H ASN 83 0.218 -11.002 5.486 534 HA ASN 83 HA ASN 83 -1.810 -11.865 7.402 535 1HB ASN 83 2HB ASN 83 1.149 -11.772 7.298 536 2HB ASN 83 1HB ASN 83 0.477 -11.231 8.819 537 1HD2 ASN 83 1HD2 ASN 83 1.713 -13.915 7.675 538 2HD2 ASN 83 2HD2 ASN 83 0.682 -15.066 8.446 539 H ASN 84 H ASN 84 -1.528 -9.065 5.964 540 HA ASN 84 HA ASN 84 -2.202 -6.960 6.512 541 1HB ASN 84 2HB ASN 84 -3.766 -6.952 8.113 542 2HB ASN 84 1HB ASN 84 -3.309 -8.570 8.599 543 1HD2 ASN 84 1HD2 ASN 84 -3.789 -5.559 9.824 544 2HD2 ASN 84 2HD2 ASN 84 -2.699 -5.630 11.161 545 H GLN 85 H GLN 85 0.587 -8.389 7.296 546 HA GLN 85 HA GLN 85 1.779 -6.719 9.255 547 1HB GLN 85 2HB GLN 85 2.718 -8.542 7.121 548 2HB GLN 85 1HB GLN 85 3.871 -7.315 7.526 549 1HG GLN 85 2HG GLN 85 4.323 -9.159 8.930 550 2HG GLN 85 1HG GLN 85 3.564 -7.925 9.946 551 1HE2 GLN 85 1HE2 GLN 85 3.580 -11.053 9.926 552 2HE2 GLN 85 2HE2 GLN 85 1.911 -11.412 10.166 553 H LEU 86 H LEU 86 3.972 -5.450 7.859 554 HA LEU 86 HA LEU 86 2.590 -3.686 5.945 555 1HB LEU 86 2HB LEU 86 2.922 -2.961 8.646 556 2HB LEU 86 1HB LEU 86 4.245 -2.134 7.831 557 HG LEU 86 HG LEU 86 2.412 -0.621 7.727 558 1HD1 LEU 86 1HD1 LEU 86 2.028 -1.834 5.035 559 2HD1 LEU 86 2HD1 LEU 86 3.668 -1.406 5.493 560 3HD1 LEU 86 3HD1 LEU 86 2.444 -0.206 5.532 561 1HD2 LEU 86 1HD2 LEU 86 0.668 -2.321 8.294 562 2HD2 LEU 86 2HD2 LEU 86 0.750 -2.889 6.635 563 3HD2 LEU 86 3HD2 LEU 86 0.194 -1.262 6.966 564 H ALA 87 H ALA 87 3.847 -3.913 4.203 565 HA ALA 87 HA ALA 87 6.691 -4.443 4.328 566 1HB ALA 87 1HB ALA 87 6.636 -4.120 1.899 567 2HB ALA 87 2HB ALA 87 5.073 -3.359 2.059 568 3HB ALA 87 3HB ALA 87 5.229 -5.065 2.400 569 H GLY 88 H GLY 88 4.686 -1.544 3.898 570 1HA GLY 88 2HA GLY 88 6.147 0.368 5.093 571 2HA GLY 88 1HA GLY 88 7.096 0.166 3.621 572 H VAL 89 H VAL 89 5.847 2.605 4.192 573 HA VAL 89 HA VAL 89 3.439 2.646 2.423 574 HB VAL 89 HB VAL 89 4.572 4.629 4.379 575 1HG1 VAL 89 1HG1 VAL 89 2.357 4.969 2.358 576 2HG1 VAL 89 2HG1 VAL 89 3.796 5.950 2.518 577 3HG1 VAL 89 3HG1 VAL 89 2.567 6.023 3.747 578 1HG2 VAL 89 1HG2 VAL 89 1.940 3.154 4.169 579 2HG2 VAL 89 2HG2 VAL 89 2.302 4.326 5.400 580 3HG2 VAL 89 3HG2 VAL 89 3.199 2.816 5.325 581 H ILE 90 H ILE 90 4.593 2.413 0.433 582 HA ILE 90 HA ILE 90 6.667 4.390 -0.268 583 HB ILE 90 HB ILE 90 6.762 3.253 -2.362 584 1HG1 ILE 90 2HG1 ILE 90 4.008 2.394 -1.605 585 2HG1 ILE 90 1HG1 ILE 90 4.646 2.741 -3.192 586 1HG2 ILE 90 1HG2 ILE 90 7.638 2.179 -0.253 587 2HG2 ILE 90 2HG2 ILE 90 7.410 1.084 -1.601 588 3HG2 ILE 90 3HG2 ILE 90 6.244 1.131 -0.272 589 1HD1 ILE 90 1HD1 ILE 90 5.847 0.550 -3.124 590 2HD1 ILE 90 2HD1 ILE 90 4.094 0.401 -3.046 591 3HD1 ILE 90 3HD1 ILE 90 5.050 0.221 -1.592 592 H THR 91 H THR 91 6.343 5.999 -1.974 593 HA THR 91 HA THR 91 3.474 6.795 -2.206 594 HB THR 91 HB THR 91 4.957 8.403 -1.014 595 HG1 THR 91 1HG THR 91 3.281 9.388 -2.033 596 1HG2 THR 91 1HG2 THR 91 6.746 7.748 -3.128 597 2HG2 THR 91 2HG2 THR 91 6.995 8.858 -1.794 598 3HG2 THR 91 3HG2 THR 91 6.323 9.443 -3.310 599 H HIS 92 H HIS 92 2.863 7.902 -4.223 600 HA HIS 92 HA HIS 92 4.372 6.859 -6.575 601 1HB HIS 92 2HB HIS 92 1.833 6.090 -5.846 602 2HB HIS 92 1HB HIS 92 1.466 7.435 -6.906 603 HD1 HIS 92 1HD HIS 92 4.139 4.742 -7.136 604 HD2 HIS 92 2HD HIS 92 0.978 6.330 -9.345 605 HE1 HIS 92 1HE HIS 92 4.147 3.538 -9.357 606 HE2 HIS 92 2HE HIS 92 2.423 4.710 -10.788 607 H THR 93 H THR 93 5.220 9.220 -5.682 608 HA THR 93 HA THR 93 4.612 11.036 -7.845 609 HB THR 93 HB THR 93 3.483 11.713 -5.100 610 HG1 THR 93 1HG THR 93 1.555 11.619 -6.131 611 1HG2 THR 93 1HG2 THR 93 4.073 13.426 -7.517 612 2HG2 THR 93 2HG2 THR 93 4.433 13.738 -5.816 613 3HG2 THR 93 3HG2 THR 93 2.775 13.830 -6.396 614 H GLY 94 H GLY 94 6.518 12.139 -8.125 615 1HA GLY 94 2HA GLY 94 8.105 13.750 -7.048 616 2HA GLY 94 1HA GLY 94 8.231 12.638 -5.691 617 H ALA 95 H ALA 95 8.068 10.454 -8.011 618 HA ALA 95 HA ALA 95 11.003 10.594 -8.626 619 1HB ALA 95 1HB ALA 95 10.886 8.751 -7.283 620 2HB ALA 95 2HB ALA 95 10.554 7.989 -8.829 621 3HB ALA 95 3HB ALA 95 9.241 8.375 -7.725 622 H SER 96 H SER 96 10.535 11.710 -10.638 623 HA SER 96 HA SER 96 9.830 11.862 -12.866 624 1HB SER 96 2HB SER 96 11.304 9.353 -12.422 625 2HB SER 96 1HB SER 96 10.272 9.274 -13.849 626 HG SER 96 HG SER 96 12.394 11.030 -13.303 627 H GLY 97 H GLY 97 7.531 12.041 -12.057 628 1HA GLY 97 2HA GLY 97 5.342 11.481 -12.876 629 2HA GLY 97 1HA GLY 97 5.883 9.845 -13.241 630 H ASN 98 H ASN 98 6.449 8.475 -11.295 631 HA ASN 98 HA ASN 98 5.223 9.333 -8.763 632 1HB ASN 98 2HB ASN 98 4.151 6.831 -9.027 633 2HB ASN 98 1HB ASN 98 3.258 8.293 -9.264 634 1HD2 ASN 98 1HD2 ASN 98 1.921 7.756 -10.980 635 2HD2 ASN 98 2HD2 ASN 98 2.532 7.230 -12.507 636 H ASN 99 H ASN 99 5.825 6.008 -9.862 637 HA ASN 99 HA ASN 99 7.335 4.447 -9.145 638 1HB ASN 99 2HB ASN 99 8.862 6.718 -9.693 639 2HB ASN 99 1HB ASN 99 9.318 6.328 -8.032 640 1HD2 ASN 99 1HD2 ASN 99 10.712 4.609 -7.706 641 2HD2 ASN 99 2HD2 ASN 99 11.206 3.543 -8.971 642 H PHE 100 H PHE 100 8.060 3.447 -7.144 643 HA PHE 100 HA PHE 100 6.668 4.597 -4.778 644 1HB PHE 100 2HB PHE 100 7.907 1.919 -4.506 645 2HB PHE 100 1HB PHE 100 6.336 2.503 -4.071 646 HD1 PHE 100 1HD PHE 100 4.416 2.308 -5.450 647 HD2 PHE 100 2HD PHE 100 8.330 1.259 -6.879 648 HE1 PHE 100 1HE PHE 100 3.400 1.212 -7.429 649 HE2 PHE 100 2HE PHE 100 7.313 0.158 -8.854 650 HZ PHE 100 HZ PHE 100 4.848 0.137 -9.129 651 H VAL 101 H VAL 101 7.756 5.073 -2.880 652 HA VAL 101 HA VAL 101 10.588 4.398 -2.563 653 HB VAL 101 HB VAL 101 11.145 6.918 -2.263 654 1HG1 VAL 101 1HG1 VAL 101 11.703 5.293 -4.232 655 2HG1 VAL 101 2HG1 VAL 101 11.911 7.021 -4.455 656 3HG1 VAL 101 3HG1 VAL 101 10.497 6.221 -5.127 657 1HG2 VAL 101 1HG2 VAL 101 8.643 7.148 -3.984 658 2HG2 VAL 101 2HG2 VAL 101 9.750 8.448 -3.560 659 3HG2 VAL 101 3HG2 VAL 101 8.790 7.682 -2.309 660 H GLU 102 H GLU 102 10.989 4.179 -0.421 661 HA GLU 102 HA GLU 102 9.041 4.195 1.546 662 1HB GLU 102 2HB GLU 102 10.981 4.564 3.202 663 2HB GLU 102 1HB GLU 102 11.146 3.219 2.068 664 1HG GLU 102 2HG GLU 102 12.262 5.382 0.659 665 2HG GLU 102 1HG GLU 102 12.733 5.659 2.331 666 H CYS 103 H CYS 103 7.865 5.790 2.523 667 HA CYS 103 HA CYS 103 7.984 8.468 1.801 668 1HB CYS 103 2HB CYS 103 6.860 6.968 4.141 669 2HB CYS 103 1HB CYS 103 6.998 8.720 4.347 670 H THR 104 H THR 104 8.579 10.388 3.228 671 HA THR 104 HA THR 104 10.917 9.861 4.987 672 HB THR 104 HB THR 104 12.072 11.828 3.618 673 HG1 THR 104 1HG THR 104 10.533 10.641 1.531 674 1HG2 THR 104 1HG2 THR 104 11.899 9.050 2.434 675 2HG2 THR 104 2HG2 THR 104 12.893 9.478 3.828 676 3HG2 THR 104 3HG2 THR 104 13.218 10.203 2.255 Start of MODEL 6 1 1H ALA 1 1HT ALA 1 -1.883 10.742 16.083 2 2H ALA 1 2HT ALA 1 -1.491 12.248 15.349 3 3H ALA 1 3HT ALA 1 -1.222 12.018 17.025 4 HA ALA 1 HA ALA 1 0.835 11.909 15.814 5 1HB ALA 1 1HB ALA 1 1.570 9.709 16.659 6 2HB ALA 1 2HB ALA 1 -0.117 9.227 16.866 7 3HB ALA 1 3HB ALA 1 0.552 10.539 17.834 8 H CYS 2 H CYS 2 2.142 10.659 14.256 9 HA CYS 2 HA CYS 2 0.995 8.677 12.610 10 1HB CYS 2 2HB CYS 2 0.674 9.926 10.545 11 2HB CYS 2 1HB CYS 2 -0.391 10.573 11.782 12 H ASP 3 H ASP 3 2.797 7.515 12.152 13 HA ASP 3 HA ASP 3 5.384 8.848 12.031 14 1HB ASP 3 2HB ASP 3 4.607 6.300 12.706 15 2HB ASP 3 1HB ASP 3 5.172 6.025 11.055 16 H TYR 4 H TYR 4 3.260 7.174 9.693 17 HA TYR 4 HA TYR 4 5.042 7.740 7.458 18 1HB TYR 4 2HB TYR 4 2.191 6.731 7.715 19 2HB TYR 4 1HB TYR 4 2.854 7.142 6.134 20 HD1 TYR 4 1HD TYR 4 5.364 6.238 5.776 21 HD2 TYR 4 2HD TYR 4 2.392 4.507 8.347 22 HE1 TYR 4 1HE TYR 4 6.538 4.055 5.660 23 HE2 TYR 4 2HE TYR 4 3.557 2.321 8.226 24 HH TYR 4 HH TYR 4 6.172 1.712 6.000 25 H THR 5 H THR 5 5.423 9.968 7.339 26 HA THR 5 HA THR 5 2.996 11.701 7.031 27 HB THR 5 HB THR 5 5.786 12.811 7.412 28 HG1 THR 5 1HG THR 5 4.124 11.782 9.498 29 1HG2 THR 5 1HG2 THR 5 4.520 14.551 8.569 30 2HG2 THR 5 2HG2 THR 5 3.027 13.641 8.353 31 3HG2 THR 5 3HG2 THR 5 3.869 14.302 6.950 32 H CYS 6 H CYS 6 3.040 10.603 4.780 33 HA CYS 6 HA CYS 6 5.102 11.673 2.945 34 1HB CYS 6 2HB CYS 6 2.567 10.314 2.132 35 2HB CYS 6 1HB CYS 6 4.107 10.303 1.277 36 H GLY 7 H GLY 7 4.512 13.079 1.122 37 1HA GLY 7 2HA GLY 7 3.603 15.136 0.428 38 2HA GLY 7 1HA GLY 7 2.073 14.266 0.568 39 H SER 8 H SER 8 0.649 14.963 2.124 40 HA SER 8 HA SER 8 1.704 16.500 4.455 41 1HB SER 8 2HB SER 8 0.195 18.338 4.098 42 2HB SER 8 1HB SER 8 1.032 18.086 2.562 43 HG SER 8 HG SER 8 -1.348 18.291 2.486 44 H ASN 9 H ASN 9 0.704 13.832 4.394 45 HA ASN 9 HA ASN 9 -1.937 14.200 5.778 46 1HB ASN 9 2HB ASN 9 -0.936 12.138 3.840 47 2HB ASN 9 1HB ASN 9 -1.973 11.572 5.155 48 1HD2 ASN 9 1HD2 ASN 9 -4.008 13.060 5.479 49 2HD2 ASN 9 2HD2 ASN 9 -4.786 13.529 4.009 50 H CYS 10 H CYS 10 -2.147 13.300 7.802 51 HA CYS 10 HA CYS 10 0.365 12.430 9.056 52 1HB CYS 10 2HB CYS 10 -1.725 13.998 9.948 53 2HB CYS 10 1HB CYS 10 -2.129 12.468 10.716 54 H TYR 11 H TYR 11 0.111 10.410 7.567 55 HA TYR 11 HA TYR 11 -1.901 8.461 8.425 56 1HB TYR 11 2HB TYR 11 0.544 8.243 6.623 57 2HB TYR 11 1HB TYR 11 -0.578 6.909 6.905 58 HD1 TYR 11 1HD TYR 11 -3.171 8.424 7.027 59 HD2 TYR 11 2HD TYR 11 0.161 8.690 4.327 60 HE1 TYR 11 1HE TYR 11 -4.621 9.294 5.262 61 HE2 TYR 11 2HE TYR 11 -1.351 9.538 2.553 62 HH TYR 11 HH TYR 11 -3.616 10.755 2.438 63 H SER 12 H SER 12 -1.709 7.436 10.333 64 HA SER 12 HA SER 12 0.953 7.181 11.563 65 1HB SER 12 2HB SER 12 -0.622 6.013 13.382 66 2HB SER 12 1HB SER 12 -0.562 7.754 13.219 67 HG SER 12 HG SER 12 -2.703 7.102 13.179 68 H SER 13 H SER 13 1.917 5.241 12.151 69 HA SER 13 HA SER 13 1.651 3.097 10.288 70 1HB SER 13 2HB SER 13 3.660 2.714 11.244 71 2HB SER 13 1HB SER 13 3.260 3.686 12.662 72 HG SER 13 HG SER 13 3.611 1.445 13.141 73 H SER 14 H SER 14 -0.275 3.934 13.009 74 HA SER 14 HA SER 14 -1.212 1.173 13.436 75 1HB SER 14 2HB SER 14 -1.472 3.785 14.858 76 2HB SER 14 1HB SER 14 -2.825 2.661 15.014 77 HG SER 14 HG SER 14 -1.331 2.211 16.615 78 H ASP 15 H ASP 15 -2.344 4.259 12.065 79 HA ASP 15 HA ASP 15 -5.023 3.224 11.571 80 1HB ASP 15 2HB ASP 15 -3.548 5.741 11.086 81 2HB ASP 15 1HB ASP 15 -4.621 5.331 9.760 82 H VAL 16 H VAL 16 -1.971 3.281 9.892 83 HA VAL 16 HA VAL 16 -2.935 2.633 7.283 84 HB VAL 16 HB VAL 16 -0.323 1.597 8.442 85 1HG1 VAL 16 1HG1 VAL 16 -0.895 0.886 6.179 86 2HG1 VAL 16 2HG1 VAL 16 0.433 2.044 6.132 87 3HG1 VAL 16 3HG1 VAL 16 -1.193 2.552 5.685 88 1HG2 VAL 16 1HG2 VAL 16 -1.221 4.386 8.201 89 2HG2 VAL 16 2HG2 VAL 16 0.198 4.051 7.227 90 3HG2 VAL 16 3HG2 VAL 16 0.224 3.693 8.925 91 H SER 17 H SER 17 -2.368 0.698 10.183 92 HA SER 17 HA SER 17 -2.367 -1.879 9.015 93 1HB SER 17 2HB SER 17 -1.881 -1.992 11.270 94 2HB SER 17 1HB SER 17 -3.065 -0.762 11.701 95 HG SER 17 HG SER 17 -3.466 -3.498 11.190 96 H THR 18 H THR 18 -5.116 0.124 10.123 97 HA THR 18 HA THR 18 -7.128 -1.821 9.474 98 HB THR 18 HB THR 18 -7.184 1.190 9.827 99 HG1 THR 18 1HG THR 18 -7.044 0.154 11.757 100 1HG2 THR 18 1HG2 THR 18 -8.982 0.934 8.354 101 2HG2 THR 18 2HG2 THR 18 -9.733 0.748 9.933 102 3HG2 THR 18 3HG2 THR 18 -9.389 -0.677 8.957 103 H ALA 19 H ALA 19 -5.995 1.066 7.678 104 HA ALA 19 HA ALA 19 -7.566 0.383 5.317 105 1HB ALA 19 1HB ALA 19 -5.552 2.076 4.457 106 2HB ALA 19 2HB ALA 19 -5.784 2.525 6.158 107 3HB ALA 19 3HB ALA 19 -7.138 2.567 5.042 108 H GLN 20 H GLN 20 -4.727 -0.922 6.622 109 HA GLN 20 HA GLN 20 -3.680 -1.666 3.991 110 1HB GLN 20 2HB GLN 20 -2.067 -0.828 5.696 111 2HB GLN 20 1HB GLN 20 -2.505 -2.175 6.757 112 1HG GLN 20 2HG GLN 20 -0.436 -2.600 5.509 113 2HG GLN 20 1HG GLN 20 -1.666 -3.755 5.078 114 1HE2 GLN 20 1HE2 GLN 20 -2.936 -3.156 2.994 115 2HE2 GLN 20 2HE2 GLN 20 -2.103 -2.244 1.816 116 H ALA 21 H ALA 21 -5.650 -2.787 6.535 117 HA ALA 21 HA ALA 21 -5.214 -5.648 5.973 118 1HB ALA 21 1HB ALA 21 -5.671 -4.937 8.282 119 2HB ALA 21 2HB ALA 21 -6.965 -5.976 7.685 120 3HB ALA 21 3HB ALA 21 -7.204 -4.228 7.776 121 H ALA 22 H ALA 22 -7.143 -2.987 4.894 122 HA ALA 22 HA ALA 22 -9.413 -4.555 3.960 123 1HB ALA 22 1HB ALA 22 -8.458 -1.778 3.182 124 2HB ALA 22 2HB ALA 22 -9.631 -2.154 4.443 125 3HB ALA 22 3HB ALA 22 -10.021 -2.482 2.756 126 H GLY 23 H GLY 23 -6.739 -2.838 2.253 127 1HA GLY 23 2HA GLY 23 -7.169 -3.833 -0.325 128 2HA GLY 23 1HA GLY 23 -5.566 -3.510 0.332 129 H TYR 24 H TYR 24 -5.909 -5.474 2.514 130 HA TYR 24 HA TYR 24 -4.929 -7.789 1.069 131 1HB TYR 24 2HB TYR 24 -3.886 -7.417 3.159 132 2HB TYR 24 1HB TYR 24 -5.425 -7.110 3.975 133 HD1 TYR 24 1HD TYR 24 -6.551 -8.846 5.081 134 HD2 TYR 24 2HD TYR 24 -3.483 -9.777 2.230 135 HE1 TYR 24 1HE TYR 24 -6.676 -11.235 5.735 136 HE2 TYR 24 2HE TYR 24 -3.636 -12.177 2.873 137 HH TYR 24 HH TYR 24 -6.065 -13.557 4.464 138 H GLN 25 H GLN 25 -7.830 -7.132 3.074 139 HA GLN 25 HA GLN 25 -8.997 -9.684 2.835 140 1HB GLN 25 2HB GLN 25 -9.782 -7.293 3.959 141 2HB GLN 25 1HB GLN 25 -10.912 -7.395 2.607 142 1HG GLN 25 2HG GLN 25 -12.036 -9.139 3.483 143 2HG GLN 25 1HG GLN 25 -10.584 -9.939 4.100 144 1HE2 GLN 25 1HE2 GLN 25 -10.626 -10.050 6.311 145 2HE2 GLN 25 2HE2 GLN 25 -11.280 -8.827 7.342 146 H LEU 26 H LEU 26 -9.118 -6.917 0.612 147 HA LEU 26 HA LEU 26 -10.914 -8.137 -1.235 148 1HB LEU 26 2HB LEU 26 -10.171 -5.659 -1.101 149 2HB LEU 26 1HB LEU 26 -8.718 -6.152 -1.972 150 HG LEU 26 HG LEU 26 -10.524 -5.297 -3.495 151 1HD1 LEU 26 1HD1 LEU 26 -9.934 -6.765 -5.108 152 2HD1 LEU 26 2HD1 LEU 26 -10.376 -8.181 -4.171 153 3HD1 LEU 26 3HD1 LEU 26 -8.841 -7.394 -3.914 154 1HD2 LEU 26 1HD2 LEU 26 -12.573 -6.440 -3.727 155 2HD2 LEU 26 2HD2 LEU 26 -12.370 -6.270 -1.994 156 3HD2 LEU 26 3HD2 LEU 26 -12.032 -7.806 -2.771 157 H HIS 27 H HIS 27 -7.362 -8.044 -1.022 158 HA HIS 27 HA HIS 27 -6.915 -9.551 -3.435 159 1HB HIS 27 2HB HIS 27 -5.083 -8.282 -2.452 160 2HB HIS 27 1HB HIS 27 -5.193 -9.215 -0.947 161 HD1 HIS 27 1HD HIS 27 -5.225 -10.499 -4.533 162 HD2 HIS 27 2HD HIS 27 -2.945 -10.814 -1.053 163 HE1 HIS 27 1HE HIS 27 -3.447 -12.234 -4.998 164 HE2 HIS 27 2HE HIS 27 -2.339 -12.666 -2.773 165 H GLU 28 H GLU 28 -8.007 -10.473 -0.276 166 HA GLU 28 HA GLU 28 -7.325 -13.319 -0.815 167 1HB GLU 28 2HB GLU 28 -6.797 -12.026 1.428 168 2HB GLU 28 1HB GLU 28 -8.503 -12.298 1.773 169 1HG GLU 28 2HG GLU 28 -7.875 -14.301 2.560 170 2HG GLU 28 1HG GLU 28 -7.709 -14.796 0.871 171 H ASP 29 H ASP 29 -9.716 -11.375 -1.697 172 HA ASP 29 HA ASP 29 -11.826 -13.406 -1.107 173 1HB ASP 29 2HB ASP 29 -11.886 -10.807 -0.248 174 2HB ASP 29 1HB ASP 29 -12.678 -10.636 -1.806 175 H GLY 30 H GLY 30 -9.839 -12.236 -3.498 176 1HA GLY 30 2HA GLY 30 -9.926 -12.385 -5.811 177 2HA GLY 30 1HA GLY 30 -11.264 -13.516 -5.592 178 H GLU 31 H GLU 31 -11.576 -10.335 -4.199 179 HA GLU 31 HA GLU 31 -13.652 -9.712 -6.251 180 1HB GLU 31 2HB GLU 31 -13.295 -9.176 -3.352 181 2HB GLU 31 1HB GLU 31 -14.040 -7.872 -4.250 182 1HG GLU 31 2HG GLU 31 -15.950 -8.966 -4.602 183 2HG GLU 31 1HG GLU 31 -15.150 -10.513 -4.922 184 H THR 32 H THR 32 -13.810 -6.968 -5.946 185 HA THR 32 HA THR 32 -11.090 -5.892 -6.344 186 HB THR 32 HB THR 32 -12.898 -4.947 -8.460 187 HG1 THR 32 1HG THR 32 -12.147 -7.688 -8.642 188 1HG2 THR 32 1HG2 THR 32 -10.847 -4.526 -9.120 189 2HG2 THR 32 2HG2 THR 32 -10.754 -6.209 -9.619 190 3HG2 THR 32 3HG2 THR 32 -10.079 -5.714 -8.068 191 H VAL 33 H VAL 33 -11.313 -3.446 -6.817 192 HA VAL 33 HA VAL 33 -13.138 -2.379 -4.729 193 HB VAL 33 HB VAL 33 -11.856 -0.284 -5.040 194 1HG1 VAL 33 1HG1 VAL 33 -10.085 -2.739 -4.880 195 2HG1 VAL 33 2HG1 VAL 33 -10.981 -2.026 -3.534 196 3HG1 VAL 33 3HG1 VAL 33 -9.697 -1.113 -4.322 197 1HG2 VAL 33 1HG2 VAL 33 -9.738 -1.073 -6.699 198 2HG2 VAL 33 2HG2 VAL 33 -10.980 0.090 -7.071 199 3HG2 VAL 33 3HG2 VAL 33 -11.165 -1.572 -7.584 200 H GLY 34 H GLY 34 -13.023 0.294 -6.401 201 1HA GLY 34 2HA GLY 34 -15.493 -0.290 -7.932 202 2HA GLY 34 1HA GLY 34 -14.920 1.290 -7.408 203 H SER 35 H SER 35 -12.820 -1.083 -8.981 204 HA SER 35 HA SER 35 -13.080 0.163 -11.598 205 1HB SER 35 2HB SER 35 -10.875 1.177 -11.688 206 2HB SER 35 1HB SER 35 -11.682 1.795 -10.249 207 HG SER 35 HG SER 35 -9.465 0.176 -10.430 208 H ASN 36 H ASN 36 -10.361 -0.550 -12.401 209 HA ASN 36 HA ASN 36 -10.724 -3.201 -13.192 210 1HB ASN 36 2HB ASN 36 -8.411 -1.313 -13.010 211 2HB ASN 36 1HB ASN 36 -7.991 -3.022 -13.163 212 1HD2 ASN 36 1HD2 ASN 36 -7.660 -3.535 -15.286 213 2HD2 ASN 36 2HD2 ASN 36 -8.590 -2.912 -16.601 214 H SER 37 H SER 37 -8.471 -2.117 -10.632 215 HA SER 37 HA SER 37 -9.183 -3.878 -8.622 216 1HB SER 37 2HB SER 37 -7.158 -5.587 -9.117 217 2HB SER 37 1HB SER 37 -8.742 -5.902 -9.770 218 HG SER 37 HG SER 37 -6.500 -4.850 -11.066 219 H TYR 38 H TYR 38 -8.331 -2.526 -7.114 220 HA TYR 38 HA TYR 38 -5.728 -1.321 -7.643 221 1HB TYR 38 2HB TYR 38 -7.937 -0.816 -5.790 222 2HB TYR 38 1HB TYR 38 -6.367 -0.673 -4.995 223 HD1 TYR 38 1HD TYR 38 -8.696 1.207 -6.662 224 HD2 TYR 38 2HD TYR 38 -4.499 0.348 -6.716 225 HE1 TYR 38 1HE TYR 38 -8.275 3.365 -7.806 226 HE2 TYR 38 2HE TYR 38 -4.081 2.526 -7.860 227 HH TYR 38 HH TYR 38 -6.037 4.176 -9.489 228 HA PRO 39 HA PRO 39 -4.319 -4.115 -4.128 229 1HB PRO 39 2HB PRO 39 -5.694 -6.434 -3.733 230 2HB PRO 39 1HB PRO 39 -6.008 -4.935 -2.863 231 1HG PRO 39 2HG PRO 39 -7.600 -6.193 -5.055 232 2HG PRO 39 1HG PRO 39 -8.152 -5.128 -3.749 233 1HD PRO 39 2HD PRO 39 -7.668 -4.430 -6.428 234 2HD PRO 39 1HD PRO 39 -7.949 -3.282 -5.104 235 H HIS 40 H HIS 40 -2.611 -4.694 -5.334 236 HA HIS 40 HA HIS 40 -2.807 -7.151 -7.026 237 1HB HIS 40 2HB HIS 40 -0.892 -5.731 -8.423 238 2HB HIS 40 1HB HIS 40 -2.604 -5.790 -8.864 239 HD1 HIS 40 1HD HIS 40 -1.077 -3.902 -5.997 240 HD2 HIS 40 2HD HIS 40 -2.981 -3.115 -9.603 241 HE1 HIS 40 1HE HIS 40 -1.797 -1.491 -5.900 242 HE2 HIS 40 2HE HIS 40 -3.082 -1.051 -8.013 243 H LYS 41 H LYS 41 -0.370 -7.801 -7.622 244 HA LYS 41 HA LYS 41 0.989 -7.894 -4.992 245 1HB LYS 41 2HB LYS 41 0.909 -10.060 -5.642 246 2HB LYS 41 1HB LYS 41 0.840 -9.681 -7.349 247 1HG LYS 41 2HG LYS 41 3.368 -9.282 -5.712 248 2HG LYS 41 1HG LYS 41 2.903 -10.833 -6.391 249 1HD LYS 41 2HD LYS 41 2.548 -8.959 -8.505 250 2HD LYS 41 1HD LYS 41 4.103 -8.573 -7.737 251 1HE LYS 41 2HE LYS 41 3.225 -11.153 -8.992 252 2HE LYS 41 1HE LYS 41 4.637 -10.156 -9.369 253 1HZ LYS 41 1HZ LYS 41 5.248 -10.676 -6.883 254 2HZ LYS 41 2HZ LYS 41 5.569 -11.786 -8.107 255 3HZ LYS 41 3HZ LYS 41 4.224 -12.011 -7.125 256 H TYR 42 H TYR 42 2.851 -6.823 -4.604 257 HA TYR 42 HA TYR 42 4.106 -5.351 -6.826 258 1HB TYR 42 2HB TYR 42 3.537 -4.256 -4.583 259 2HB TYR 42 1HB TYR 42 4.780 -5.225 -3.861 260 HD1 TYR 42 1HD TYR 42 6.459 -3.710 -3.289 261 HD2 TYR 42 2HD TYR 42 4.728 -3.564 -7.222 262 HE1 TYR 42 1HE TYR 42 8.174 -2.062 -3.988 263 HE2 TYR 42 2HE TYR 42 6.443 -1.934 -7.921 264 HH TYR 42 HH TYR 42 8.079 -0.087 -6.159 265 H ASN 43 H ASN 43 6.622 -5.336 -6.714 266 HA ASN 43 HA ASN 43 7.746 -7.863 -5.671 267 1HB ASN 43 2HB ASN 43 8.925 -7.971 -8.081 268 2HB ASN 43 1HB ASN 43 7.342 -8.693 -7.795 269 1HD2 ASN 43 1HD2 ASN 43 8.055 -5.188 -8.132 270 2HD2 ASN 43 2HD2 ASN 43 6.978 -5.016 -9.448 271 H ASN 44 H ASN 44 8.045 -4.781 -5.366 272 HA ASN 44 HA ASN 44 9.797 -3.345 -4.851 273 1HB ASN 44 2HB ASN 44 11.494 -5.866 -4.989 274 2HB ASN 44 1HB ASN 44 11.879 -4.359 -4.167 275 1HD2 ASN 44 1HD2 ASN 44 9.699 -7.163 -4.055 276 2HD2 ASN 44 2HD2 ASN 44 9.213 -6.877 -2.452 277 H TYR 45 H TYR 45 10.184 -1.992 -6.568 278 HA TYR 45 HA TYR 45 11.814 -3.064 -8.863 279 1HB TYR 45 2HB TYR 45 9.528 -1.095 -8.677 280 2HB TYR 45 1HB TYR 45 10.754 -0.847 -9.928 281 HD1 TYR 45 1HD TYR 45 10.446 -4.334 -9.168 282 HD2 TYR 45 2HD TYR 45 8.614 -1.140 -11.364 283 HE1 TYR 45 1HE TYR 45 9.350 -5.984 -10.585 284 HE2 TYR 45 2HE TYR 45 7.498 -2.810 -12.813 285 HH TYR 45 HH TYR 45 6.921 -5.741 -12.177 286 H GLU 46 H GLU 46 11.995 -1.147 -6.130 287 HA GLU 46 HA GLU 46 14.070 0.594 -7.374 288 1HB GLU 46 2HB GLU 46 12.761 2.126 -6.375 289 2HB GLU 46 1HB GLU 46 11.977 0.950 -5.342 290 1HG GLU 46 2HG GLU 46 13.523 1.158 -3.647 291 2HG GLU 46 1HG GLU 46 14.818 1.638 -4.726 292 H GLY 47 H GLY 47 13.362 -1.723 -4.787 293 1HA GLY 47 2HA GLY 47 15.211 -3.233 -4.157 294 2HA GLY 47 1HA GLY 47 16.307 -1.855 -4.207 295 H PHE 48 H PHE 48 13.043 -1.641 -2.889 296 HA PHE 48 HA PHE 48 13.942 -0.484 -0.445 297 1HB PHE 48 2HB PHE 48 11.316 -1.948 -0.974 298 2HB PHE 48 1HB PHE 48 11.624 -0.771 0.310 299 HD1 PHE 48 1HD PHE 48 12.771 1.508 -0.628 300 HD2 PHE 48 2HD PHE 48 10.152 -1.118 -2.798 301 HE1 PHE 48 1HE PHE 48 12.133 3.369 -2.117 302 HE2 PHE 48 2HE PHE 48 9.531 0.751 -4.306 303 HZ PHE 48 HZ PHE 48 10.543 2.972 -3.970 304 H ASP 49 H ASP 49 12.739 -1.883 1.618 305 HA ASP 49 HA ASP 49 13.826 -4.643 1.417 306 1HB ASP 49 2HB ASP 49 14.785 -2.427 3.199 307 2HB ASP 49 1HB ASP 49 14.620 -4.021 3.944 308 H PHE 50 H PHE 50 11.950 -2.332 3.395 309 HA PHE 50 HA PHE 50 10.028 -2.701 4.625 310 1HB PHE 50 2HB PHE 50 9.910 -5.337 3.089 311 2HB PHE 50 1HB PHE 50 8.585 -4.602 3.937 312 HD1 PHE 50 1HD PHE 50 9.098 -1.686 3.191 313 HD2 PHE 50 2HD PHE 50 9.082 -5.307 0.867 314 HE1 PHE 50 1HE PHE 50 8.526 -0.388 1.186 315 HE2 PHE 50 2HE PHE 50 8.494 -3.985 -1.151 316 HZ PHE 50 HZ PHE 50 8.229 -1.529 -0.995 317 H SER 51 H SER 51 9.005 -4.523 6.155 318 HA SER 51 HA SER 51 11.334 -5.597 7.695 319 1HB SER 51 2HB SER 51 9.254 -4.112 8.586 320 2HB SER 51 1HB SER 51 8.570 -5.722 8.824 321 HG SER 51 HG SER 51 9.842 -4.914 10.615 322 H VAL 52 H VAL 52 8.713 -6.570 5.688 323 HA VAL 52 HA VAL 52 8.832 -9.368 6.704 324 HB VAL 52 HB VAL 52 7.032 -9.113 4.471 325 1HG1 VAL 52 1HG1 VAL 52 5.393 -9.800 6.112 326 2HG1 VAL 52 2HG1 VAL 52 6.491 -9.386 7.431 327 3HG1 VAL 52 3HG1 VAL 52 6.883 -10.715 6.337 328 1HG2 VAL 52 1HG2 VAL 52 6.656 -6.975 6.601 329 2HG2 VAL 52 2HG2 VAL 52 5.455 -7.441 5.394 330 3HG2 VAL 52 3HG2 VAL 52 6.973 -6.736 4.886 331 H SER 53 H SER 53 8.513 -10.924 4.566 332 HA SER 53 HA SER 53 10.338 -10.071 2.389 333 1HB SER 53 2HB SER 53 11.977 -10.914 3.901 334 2HB SER 53 1HB SER 53 10.965 -12.299 4.328 335 HG SER 53 HG SER 53 12.398 -11.813 1.950 336 H SER 54 H SER 54 8.379 -10.371 1.120 337 HA SER 54 HA SER 54 8.119 -13.007 0.021 338 1HB SER 54 2HB SER 54 5.466 -12.399 1.150 339 2HB SER 54 1HB SER 54 6.422 -13.895 1.239 340 HG SER 54 HG SER 54 6.097 -12.956 3.283 341 HA PRO 55 HA PRO 55 6.019 -10.838 -3.168 342 1HB PRO 55 2HB PRO 55 3.720 -12.252 -3.702 343 2HB PRO 55 1HB PRO 55 5.338 -12.769 -4.174 344 1HG PRO 55 2HG PRO 55 3.616 -13.792 -1.950 345 2HG PRO 55 1HG PRO 55 4.847 -14.647 -2.896 346 1HD PRO 55 2HD PRO 55 5.158 -13.655 -0.326 347 2HD PRO 55 1HD PRO 55 6.500 -14.127 -1.372 348 H TYR 56 H TYR 56 5.555 -8.936 -2.153 349 HA TYR 56 HA TYR 56 3.309 -8.603 -0.366 350 1HB TYR 56 2HB TYR 56 4.809 -6.389 -1.796 351 2HB TYR 56 1HB TYR 56 3.972 -6.271 -0.256 352 HD1 TYR 56 1HD TYR 56 7.031 -7.214 -1.941 353 HD2 TYR 56 2HD TYR 56 4.859 -7.466 1.755 354 HE1 TYR 56 1HE TYR 56 9.125 -7.817 -0.745 355 HE2 TYR 56 2HE TYR 56 6.949 -8.052 2.929 356 HH TYR 56 HH TYR 56 9.777 -7.505 2.133 357 H TYR 57 H TYR 57 2.040 -6.325 -1.042 358 HA TYR 57 HA TYR 57 1.066 -6.459 -3.801 359 1HB TYR 57 2HB TYR 57 -0.647 -6.982 -1.363 360 2HB TYR 57 1HB TYR 57 -1.352 -6.609 -2.929 361 HD1 TYR 57 1HD TYR 57 -1.669 -8.358 -4.516 362 HD2 TYR 57 2HD TYR 57 0.861 -9.012 -1.120 363 HE1 TYR 57 1HE TYR 57 -1.468 -10.729 -5.141 364 HE2 TYR 57 2HE TYR 57 1.037 -11.407 -1.725 365 HH TYR 57 HH TYR 57 0.681 -12.712 -4.315 366 H GLU 58 H GLU 58 0.080 -4.451 -4.413 367 HA GLU 58 HA GLU 58 0.684 -2.281 -2.468 368 1HB GLU 58 2HB GLU 58 -0.123 -1.907 -5.339 369 2HB GLU 58 1HB GLU 58 0.695 -0.805 -4.283 370 1HG GLU 58 2HG GLU 58 2.553 -1.538 -5.277 371 2HG GLU 58 1HG GLU 58 2.395 -2.912 -4.187 372 H TRP 59 H TRP 59 -0.822 -0.798 -1.819 373 HA TRP 59 HA TRP 59 -3.573 -0.880 -2.775 374 1HB TRP 59 2HB TRP 59 -3.779 -2.720 -1.246 375 2HB TRP 59 1HB TRP 59 -2.822 -1.882 -0.024 376 HD1 TRP 59 HD TRP 59 -4.018 -0.350 1.615 377 HE1 TRP 59 1HE TRP 59 -6.460 0.372 1.971 378 HE3 TRP 59 3HE TRP 59 -6.100 -2.229 -2.661 379 HZ2 TRP 59 2HZ TRP 59 -8.974 0.164 0.598 380 HZ3 TRP 59 3HZ TRP 59 -8.501 -1.968 -3.079 381 HH2 TRP 59 HH TRP 59 -9.952 -0.779 -1.504 382 HA PRO 60 HA PRO 60 -2.762 3.311 -1.492 383 1HB PRO 60 2HB PRO 60 -5.297 4.306 -1.865 384 2HB PRO 60 1HB PRO 60 -4.150 3.991 -3.165 385 1HG PRO 60 2HG PRO 60 -6.505 2.371 -2.333 386 2HG PRO 60 1HG PRO 60 -5.848 2.578 -3.950 387 1HD PRO 60 2HD PRO 60 -5.480 0.379 -2.314 388 2HD PRO 60 1HD PRO 60 -4.453 0.769 -3.669 389 H ILE 61 H ILE 61 -3.064 4.626 0.312 390 HA ILE 61 HA ILE 61 -4.851 3.528 2.459 391 HB ILE 61 HB ILE 61 -2.669 3.049 3.218 392 1HG1 ILE 61 2HG1 ILE 61 -2.272 4.611 5.060 393 2HG1 ILE 61 1HG1 ILE 61 -3.266 5.850 4.293 394 1HG2 ILE 61 1HG2 ILE 61 -1.406 4.201 1.490 395 2HG2 ILE 61 2HG2 ILE 61 -0.809 4.714 3.055 396 3HG2 ILE 61 3HG2 ILE 61 -1.877 5.770 2.133 397 1HD1 ILE 61 1HD1 ILE 61 -4.680 4.824 5.868 398 2HD1 ILE 61 2HD1 ILE 61 -4.054 3.243 5.482 399 3HD1 ILE 61 3HD1 ILE 61 -5.146 4.035 4.384 400 H LEU 62 H LEU 62 -6.082 5.097 3.566 401 HA LEU 62 HA LEU 62 -5.693 7.937 2.713 402 1HB LEU 62 2HB LEU 62 -8.375 6.884 3.576 403 2HB LEU 62 1HB LEU 62 -7.972 8.186 2.445 404 HG LEU 62 HG LEU 62 -7.779 5.195 1.947 405 1HD1 LEU 62 1HD1 LEU 62 -9.960 6.619 1.671 406 2HD1 LEU 62 2HD1 LEU 62 -9.475 5.515 0.402 407 3HD1 LEU 62 3HD1 LEU 62 -9.165 7.244 0.225 408 1HD2 LEU 62 1HD2 LEU 62 -6.212 5.555 0.369 409 2HD2 LEU 62 2HD2 LEU 62 -6.040 7.221 0.919 410 3HD2 LEU 62 3HD2 LEU 62 -7.139 6.852 -0.314 411 H SER 63 H SER 63 -7.340 9.207 4.443 412 HA SER 63 HA SER 63 -6.253 8.421 7.132 413 1HB SER 63 2HB SER 63 -6.833 11.133 7.315 414 2HB SER 63 1HB SER 63 -5.247 10.446 6.988 415 HG SER 63 HG SER 63 -6.158 12.063 5.439 416 H SER 64 H SER 64 -8.533 7.207 6.516 417 HA SER 64 HA SER 64 -10.461 8.488 8.332 418 1HB SER 64 2HB SER 64 -10.725 8.661 5.417 419 2HB SER 64 1HB SER 64 -12.115 7.847 6.141 420 HG SER 64 HG SER 64 -12.548 9.616 7.343 421 H GLY 65 H GLY 65 -9.891 5.849 5.982 422 1HA GLY 65 2HA GLY 65 -9.888 3.540 6.644 423 2HA GLY 65 1HA GLY 65 -10.904 3.923 8.030 424 H ASP 66 H ASP 66 -11.362 4.916 4.625 425 HA ASP 66 HA ASP 66 -13.967 3.423 4.680 426 1HB ASP 66 2HB ASP 66 -13.182 6.147 3.751 427 2HB ASP 66 1HB ASP 66 -14.278 5.272 2.679 428 H VAL 67 H VAL 67 -11.079 2.701 3.735 429 HA VAL 67 HA VAL 67 -10.207 1.422 2.029 430 HB VAL 67 HB VAL 67 -12.970 1.128 0.825 431 1HG1 VAL 67 1HG1 VAL 67 -11.158 -0.048 -0.245 432 2HG1 VAL 67 2HG1 VAL 67 -12.153 -1.213 0.580 433 3HG1 VAL 67 3HG1 VAL 67 -10.616 -0.729 1.283 434 1HG2 VAL 67 1HG2 VAL 67 -13.580 0.847 3.069 435 2HG2 VAL 67 2HG2 VAL 67 -12.020 0.166 3.525 436 3HG2 VAL 67 3HG2 VAL 67 -13.165 -0.783 2.585 437 H TYR 68 H TYR 68 -9.996 1.428 -0.462 438 HA TYR 68 HA TYR 68 -10.436 4.175 -1.460 439 1HB TYR 68 2HB TYR 68 -8.077 2.986 -1.267 440 2HB TYR 68 1HB TYR 68 -8.557 2.216 -2.791 441 HD1 TYR 68 1HD TYR 68 -8.245 3.372 -4.801 442 HD2 TYR 68 2HD TYR 68 -8.372 5.542 -1.143 443 HE1 TYR 68 1HE TYR 68 -7.634 5.449 -6.012 444 HE2 TYR 68 2HE TYR 68 -7.759 7.637 -2.314 445 HH TYR 68 HH TYR 68 -7.824 8.581 -4.579 446 H SER 69 H SER 69 -11.566 4.479 -3.367 447 HA SER 69 HA SER 69 -12.563 2.002 -4.751 448 1HB SER 69 2HB SER 69 -14.034 4.626 -4.321 449 2HB SER 69 1HB SER 69 -14.659 3.209 -5.176 450 HG SER 69 HG SER 69 -15.256 3.439 -2.877 451 H GLY 70 H GLY 70 -11.055 5.122 -5.058 452 1HA GLY 70 2HA GLY 70 -10.006 4.755 -7.578 453 2HA GLY 70 1HA GLY 70 -11.603 5.436 -7.899 454 H GLY 71 H GLY 71 -8.903 6.641 -8.304 455 1HA GLY 71 2HA GLY 71 -9.173 9.259 -8.048 456 2HA GLY 71 1HA GLY 71 -8.935 8.900 -6.343 457 H SER 72 H SER 72 -6.891 9.816 -6.074 458 HA SER 72 HA SER 72 -4.773 9.811 -7.864 459 1HB SER 72 2HB SER 72 -4.521 9.501 -4.858 460 2HB SER 72 1HB SER 72 -3.295 10.150 -5.957 461 HG SER 72 HG SER 72 -5.650 11.316 -5.033 462 HA PRO 73 HA PRO 73 -3.995 5.341 -7.888 463 1HB PRO 73 2HB PRO 73 -2.234 5.409 -9.985 464 2HB PRO 73 1HB PRO 73 -3.982 5.465 -10.177 465 1HG PRO 73 2HG PRO 73 -2.007 7.697 -10.462 466 2HG PRO 73 1HG PRO 73 -3.580 7.485 -11.235 467 1HD PRO 73 2HD PRO 73 -3.035 9.160 -9.015 468 2HD PRO 73 1HD PRO 73 -4.639 8.692 -9.618 469 H GLY 74 H GLY 74 -0.998 7.009 -8.894 470 1HA GLY 74 2HA GLY 74 0.708 5.400 -7.337 471 2HA GLY 74 1HA GLY 74 1.087 6.978 -8.004 472 H ALA 75 H ALA 75 1.642 8.469 -6.463 473 HA ALA 75 HA ALA 75 1.860 9.454 -4.370 474 1HB ALA 75 1HB ALA 75 -1.080 8.749 -4.110 475 2HB ALA 75 2HB ALA 75 -0.481 10.063 -5.120 476 3HB ALA 75 3HB ALA 75 -0.225 10.111 -3.381 477 H ASP 76 H ASP 76 0.693 8.951 -1.891 478 HA ASP 76 HA ASP 76 2.169 6.935 -0.765 479 1HB ASP 76 2HB ASP 76 -0.584 7.987 -0.064 480 2HB ASP 76 1HB ASP 76 0.168 6.728 0.927 481 H ARG 77 H ARG 77 1.877 4.706 -0.311 482 HA ARG 77 HA ARG 77 -0.477 3.273 -1.246 483 1HB ARG 77 2HB ARG 77 0.852 3.811 -3.359 484 2HB ARG 77 1HB ARG 77 2.103 2.742 -2.766 485 1HG ARG 77 2HG ARG 77 0.798 0.843 -2.947 486 2HG ARG 77 1HG ARG 77 -0.722 1.744 -2.867 487 1HD ARG 77 2HD ARG 77 0.861 2.612 -5.136 488 2HD ARG 77 1HD ARG 77 0.604 0.872 -5.199 489 HE ARG 77 HE ARG 77 -1.841 1.605 -4.680 490 1HH1 ARG 77 1HH1 ARG 77 -0.249 3.878 -6.594 491 2HH1 ARG 77 2HH1 ARG 77 -1.036 3.445 -8.074 492 1HH2 ARG 77 1HH2 ARG 77 -2.620 0.681 -6.691 493 2HH2 ARG 77 2HH2 ARG 77 -2.368 1.599 -8.134 494 H VAL 78 H VAL 78 0.025 2.899 1.146 495 HA VAL 78 HA VAL 78 2.178 1.557 2.199 496 HB VAL 78 HB VAL 78 0.118 2.241 3.459 497 1HG1 VAL 78 1HG1 VAL 78 -1.671 0.377 3.542 498 2HG1 VAL 78 2HG1 VAL 78 -1.016 -0.172 2.012 499 3HG1 VAL 78 3HG1 VAL 78 -1.650 1.438 2.153 500 1HG2 VAL 78 1HG2 VAL 78 1.464 0.985 4.827 501 2HG2 VAL 78 2HG2 VAL 78 1.463 -0.415 3.814 502 3HG2 VAL 78 3HG2 VAL 78 0.075 -0.072 4.797 503 H VAL 79 H VAL 79 2.803 -0.701 2.382 504 HA VAL 79 HA VAL 79 1.488 -2.455 0.340 505 HB VAL 79 HB VAL 79 4.082 -1.511 0.230 506 1HG1 VAL 79 1HG1 VAL 79 4.339 -4.369 1.119 507 2HG1 VAL 79 2HG1 VAL 79 4.607 -2.989 2.212 508 3HG1 VAL 79 3HG1 VAL 79 5.606 -3.197 0.782 509 1HG2 VAL 79 1HG2 VAL 79 3.173 -4.163 -0.887 510 2HG2 VAL 79 2HG2 VAL 79 4.352 -3.053 -1.570 511 3HG2 VAL 79 3HG2 VAL 79 2.650 -2.611 -1.544 512 H PHE 80 H PHE 80 2.053 -4.800 0.742 513 HA PHE 80 HA PHE 80 2.501 -5.656 3.463 514 1HB PHE 80 2HB PHE 80 0.135 -6.369 3.878 515 2HB PHE 80 1HB PHE 80 0.275 -4.624 3.743 516 HD1 PHE 80 1HD PHE 80 -1.296 -7.557 2.423 517 HD2 PHE 80 2HD PHE 80 -0.179 -3.527 1.450 518 HE1 PHE 80 1HE PHE 80 -2.914 -7.543 0.545 519 HE2 PHE 80 2HE PHE 80 -1.760 -3.531 -0.417 520 HZ PHE 80 HZ PHE 80 -3.164 -5.521 -0.868 521 H ASN 81 H ASN 81 1.129 -8.075 3.439 522 HA ASN 81 HA ASN 81 1.816 -9.284 0.791 523 1HB ASN 81 2HB ASN 81 2.518 -11.317 2.437 524 2HB ASN 81 1HB ASN 81 3.659 -10.098 1.872 525 1HD2 ASN 81 1HD2 ASN 81 2.959 -11.664 4.593 526 2HD2 ASN 81 2HD2 ASN 81 3.314 -10.421 5.728 527 H GLU 82 H GLU 82 0.719 -10.761 3.813 528 HA GLU 82 HA GLU 82 -1.965 -11.009 2.834 529 1HB GLU 82 2HB GLU 82 -1.985 -13.495 2.739 530 2HB GLU 82 1HB GLU 82 -0.888 -12.775 1.551 531 1HG GLU 82 2HG GLU 82 0.887 -13.040 3.535 532 2HG GLU 82 1HG GLU 82 -0.265 -14.273 4.067 533 H ASN 83 H ASN 83 -0.362 -10.143 5.234 534 HA ASN 83 HA ASN 83 -2.057 -11.471 7.250 535 1HB ASN 83 2HB ASN 83 0.947 -11.582 7.106 536 2HB ASN 83 1HB ASN 83 0.182 -11.515 8.706 537 1HD2 ASN 83 1HD2 ASN 83 -2.094 -13.087 8.279 538 2HD2 ASN 83 2HD2 ASN 83 -1.574 -14.674 7.869 539 H ASN 84 H ASN 84 -1.543 -8.733 5.895 540 HA ASN 84 HA ASN 84 -1.435 -6.518 6.534 541 1HB ASN 84 2HB ASN 84 -2.993 -5.936 8.234 542 2HB ASN 84 1HB ASN 84 -3.606 -7.466 7.598 543 1HD2 ASN 84 1HD2 ASN 84 -3.771 -9.201 9.045 544 2HD2 ASN 84 2HD2 ASN 84 -3.202 -9.128 10.674 545 H GLN 85 H GLN 85 0.812 -8.287 7.342 546 HA GLN 85 HA GLN 85 1.699 -7.473 9.985 547 1HB GLN 85 2HB GLN 85 3.685 -8.293 7.877 548 2HB GLN 85 1HB GLN 85 3.563 -8.771 9.580 549 1HG GLN 85 2HG GLN 85 1.287 -9.835 8.682 550 2HG GLN 85 1HG GLN 85 2.214 -9.910 7.185 551 1HE2 GLN 85 1HE2 GLN 85 4.667 -10.671 7.895 552 2HE2 GLN 85 2HE2 GLN 85 4.666 -12.091 8.853 553 H LEU 86 H LEU 86 1.885 -6.205 6.732 554 HA LEU 86 HA LEU 86 2.317 -4.023 6.121 555 1HB LEU 86 2HB LEU 86 2.051 -3.565 8.732 556 2HB LEU 86 1HB LEU 86 3.815 -3.423 8.679 557 HG LEU 86 HG LEU 86 3.007 -1.221 8.337 558 1HD1 LEU 86 1HD1 LEU 86 4.747 -2.126 6.667 559 2HD1 LEU 86 2HD1 LEU 86 3.884 -0.666 6.236 560 3HD1 LEU 86 3HD1 LEU 86 3.404 -2.180 5.508 561 1HD2 LEU 86 1HD2 LEU 86 1.186 -2.310 6.187 562 2HD2 LEU 86 2HD2 LEU 86 1.253 -0.657 6.774 563 3HD2 LEU 86 3HD2 LEU 86 0.651 -1.939 7.824 564 H ALA 87 H ALA 87 3.854 -3.976 4.580 565 HA ALA 87 HA ALA 87 6.584 -4.985 5.195 566 1HB ALA 87 1HB ALA 87 4.880 -5.083 2.905 567 2HB ALA 87 2HB ALA 87 6.455 -5.785 3.139 568 3HB ALA 87 3HB ALA 87 6.351 -4.189 2.481 569 H GLY 88 H GLY 88 4.863 -2.068 4.308 570 1HA GLY 88 2HA GLY 88 6.527 -0.218 5.439 571 2HA GLY 88 1HA GLY 88 7.316 -0.533 3.893 572 H VAL 89 H VAL 89 6.830 1.643 3.174 573 HA VAL 89 HA VAL 89 4.081 1.833 2.080 574 HB VAL 89 HB VAL 89 5.322 3.872 3.915 575 1HG1 VAL 89 1HG1 VAL 89 3.112 4.176 1.889 576 2HG1 VAL 89 2HG1 VAL 89 4.535 5.198 2.122 577 3HG1 VAL 89 3HG1 VAL 89 3.234 5.229 3.301 578 1HG2 VAL 89 1HG2 VAL 89 3.168 3.647 5.096 579 2HG2 VAL 89 2HG2 VAL 89 3.931 2.079 4.956 580 3HG2 VAL 89 3HG2 VAL 89 2.619 2.509 3.886 581 H ILE 90 H ILE 90 4.165 2.522 0.051 582 HA ILE 90 HA ILE 90 6.671 3.885 -0.921 583 HB ILE 90 HB ILE 90 5.817 2.924 -3.128 584 1HG1 ILE 90 2HG1 ILE 90 3.613 2.226 -1.804 585 2HG1 ILE 90 1HG1 ILE 90 4.197 1.292 -3.159 586 1HG2 ILE 90 1HG2 ILE 90 6.993 1.218 -0.955 587 2HG2 ILE 90 2HG2 ILE 90 7.845 2.139 -2.181 588 3HG2 ILE 90 3HG2 ILE 90 6.926 0.716 -2.650 589 1HD1 ILE 90 1HD1 ILE 90 5.025 0.639 -0.320 590 2HD1 ILE 90 2HD1 ILE 90 5.220 -0.328 -1.777 591 3HD1 ILE 90 3HD1 ILE 90 3.629 -0.052 -1.124 592 H THR 91 H THR 91 6.377 5.726 -2.224 593 HA THR 91 HA THR 91 3.568 6.554 -2.699 594 HB THR 91 HB THR 91 4.645 7.643 -0.653 595 HG1 THR 91 1HG THR 91 3.557 9.481 -1.127 596 1HG2 THR 91 1HG2 THR 91 6.104 9.320 -2.689 597 2HG2 THR 91 2HG2 THR 91 6.866 7.911 -1.943 598 3HG2 THR 91 3HG2 THR 91 6.319 9.244 -0.948 599 H HIS 92 H HIS 92 3.256 7.022 -4.795 600 HA HIS 92 HA HIS 92 5.522 7.259 -6.610 601 1HB HIS 92 2HB HIS 92 2.689 6.808 -6.770 602 2HB HIS 92 1HB HIS 92 3.170 7.854 -8.064 603 HD1 HIS 92 1HD HIS 92 5.511 5.309 -6.709 604 HD2 HIS 92 2HD HIS 92 2.829 5.625 -9.851 605 HE1 HIS 92 1HE HIS 92 6.055 3.414 -8.279 606 HE2 HIS 92 2HE HIS 92 4.566 3.731 -10.278 607 H THR 93 H THR 93 6.513 9.186 -5.777 608 HA THR 93 HA THR 93 5.878 11.525 -7.215 609 HB THR 93 HB THR 93 5.208 12.637 -4.691 610 HG1 THR 93 1HG THR 93 4.582 10.732 -3.803 611 1HG2 THR 93 1HG2 THR 93 4.144 13.627 -6.440 612 2HG2 THR 93 2HG2 THR 93 2.842 12.576 -5.900 613 3HG2 THR 93 3HG2 THR 93 3.816 12.120 -7.292 614 H GLY 94 H GLY 94 7.758 12.678 -7.213 615 1HA GLY 94 2HA GLY 94 9.494 13.858 -5.937 616 2HA GLY 94 1HA GLY 94 9.501 12.550 -4.760 617 H ALA 95 H ALA 95 9.218 10.692 -7.290 618 HA ALA 95 HA ALA 95 12.150 10.703 -7.927 619 1HB ALA 95 1HB ALA 95 11.562 8.200 -8.472 620 2HB ALA 95 2HB ALA 95 10.190 8.506 -7.400 621 3HB ALA 95 3HB ALA 95 11.826 8.713 -6.809 622 H SER 96 H SER 96 11.895 12.039 -9.804 623 HA SER 96 HA SER 96 11.259 12.536 -11.999 624 1HB SER 96 2HB SER 96 12.385 9.878 -11.825 625 2HB SER 96 1HB SER 96 11.199 9.902 -13.127 626 HG SER 96 HG SER 96 12.309 11.487 -14.137 627 H GLY 97 H GLY 97 9.029 13.108 -11.296 628 1HA GLY 97 2HA GLY 97 6.763 13.039 -11.978 629 2HA GLY 97 1HA GLY 97 7.031 11.463 -12.725 630 H ASN 98 H ASN 98 6.976 9.569 -11.347 631 HA ASN 98 HA ASN 98 5.808 10.076 -8.645 632 1HB ASN 98 2HB ASN 98 4.780 7.620 -9.462 633 2HB ASN 98 1HB ASN 98 3.907 9.123 -9.383 634 1HD2 ASN 98 1HD2 ASN 98 4.036 10.487 -11.409 635 2HD2 ASN 98 2HD2 ASN 98 4.106 9.637 -12.911 636 H ASN 99 H ASN 99 6.429 6.881 -10.040 637 HA ASN 99 HA ASN 99 7.866 5.219 -9.366 638 1HB ASN 99 2HB ASN 99 9.471 7.686 -9.366 639 2HB ASN 99 1HB ASN 99 10.086 6.494 -8.234 640 1HD2 ASN 99 1HD2 ASN 99 8.540 6.171 -11.465 641 2HD2 ASN 99 2HD2 ASN 99 9.846 5.242 -12.103 642 H PHE 100 H PHE 100 8.016 3.973 -7.485 643 HA PHE 100 HA PHE 100 6.892 5.191 -5.064 644 1HB PHE 100 2HB PHE 100 7.882 2.405 -5.734 645 2HB PHE 100 1HB PHE 100 7.338 2.837 -4.138 646 HD1 PHE 100 1HD PHE 100 6.252 1.099 -6.762 647 HD2 PHE 100 2HD PHE 100 5.053 4.553 -4.501 648 HE1 PHE 100 1HE PHE 100 3.897 0.747 -7.461 649 HE2 PHE 100 2HE PHE 100 2.708 4.205 -5.208 650 HZ PHE 100 HZ PHE 100 2.134 2.299 -6.694 651 H VAL 101 H VAL 101 7.898 5.169 -3.026 652 HA VAL 101 HA VAL 101 10.740 4.696 -2.758 653 HB VAL 101 HB VAL 101 10.850 7.270 -1.897 654 1HG1 VAL 101 1HG1 VAL 101 11.303 6.536 -4.798 655 2HG1 VAL 101 2HG1 VAL 101 12.364 5.983 -3.503 656 3HG1 VAL 101 3HG1 VAL 101 12.170 7.703 -3.812 657 1HG2 VAL 101 1HG2 VAL 101 9.687 8.723 -3.358 658 2HG2 VAL 101 2HG2 VAL 101 8.483 7.567 -2.831 659 3HG2 VAL 101 3HG2 VAL 101 9.192 7.424 -4.433 660 H GLU 102 H GLU 102 11.122 4.202 -0.609 661 HA GLU 102 HA GLU 102 8.999 3.835 1.172 662 1HB GLU 102 2HB GLU 102 11.971 4.150 1.612 663 2HB GLU 102 1HB GLU 102 10.877 3.808 2.959 664 1HG GLU 102 2HG GLU 102 10.521 2.080 0.565 665 2HG GLU 102 1HG GLU 102 12.048 1.884 1.437 666 H CYS 103 H CYS 103 7.832 5.250 2.377 667 HA CYS 103 HA CYS 103 8.370 8.084 2.267 668 1HB CYS 103 2HB CYS 103 6.345 6.295 3.554 669 2HB CYS 103 1HB CYS 103 6.578 7.870 4.326 670 H THR 104 H THR 104 10.092 8.934 3.318 671 HA THR 104 HA THR 104 10.795 7.862 6.033 672 HB THR 104 HB THR 104 12.750 7.763 4.727 673 HG1 THR 104 1HG THR 104 13.092 10.426 5.612 674 1HG2 THR 104 1HG2 THR 104 12.100 8.785 2.704 675 2HG2 THR 104 2HG2 THR 104 13.407 9.794 3.308 676 3HG2 THR 104 3HG2 THR 104 11.742 10.331 3.483 Start of MODEL 7 1 1H ALA 1 1HT ALA 1 -0.424 11.243 15.683 2 2H ALA 1 2HT ALA 1 1.206 11.774 15.549 3 3H ALA 1 3HT ALA 1 0.518 11.506 17.095 4 HA ALA 1 HA ALA 1 1.989 9.724 16.510 5 1HB ALA 1 1HB ALA 1 -0.948 8.965 16.437 6 2HB ALA 1 2HB ALA 1 0.015 9.246 17.886 7 3HB ALA 1 3HB ALA 1 0.384 7.877 16.839 8 H CYS 2 H CYS 2 2.988 8.884 14.721 9 HA CYS 2 HA CYS 2 1.791 7.422 12.709 10 1HB CYS 2 2HB CYS 2 1.879 9.227 10.808 11 2HB CYS 2 1HB CYS 2 0.478 9.197 11.880 12 H ASP 3 H ASP 3 3.427 6.400 11.654 13 HA ASP 3 HA ASP 3 6.125 7.685 11.775 14 1HB ASP 3 2HB ASP 3 5.693 5.364 12.789 15 2HB ASP 3 1HB ASP 3 5.518 4.773 11.132 16 H TYR 4 H TYR 4 3.567 7.055 9.616 17 HA TYR 4 HA TYR 4 5.440 7.102 7.288 18 1HB TYR 4 2HB TYR 4 2.549 6.189 7.558 19 2HB TYR 4 1HB TYR 4 3.383 6.344 6.005 20 HD1 TYR 4 1HD TYR 4 2.300 3.871 7.905 21 HD2 TYR 4 2HD TYR 4 6.093 5.410 6.587 22 HE1 TYR 4 1HE TYR 4 3.318 1.626 8.190 23 HE2 TYR 4 2HE TYR 4 7.105 3.182 6.883 24 HH TYR 4 HH TYR 4 6.127 0.899 8.624 25 H THR 5 H THR 5 5.465 8.880 6.009 26 HA THR 5 HA THR 5 3.129 10.674 5.944 27 HB THR 5 HB THR 5 5.795 11.858 6.826 28 HG1 THR 5 1HG THR 5 5.308 10.651 8.565 29 1HG2 THR 5 1HG2 THR 5 3.354 13.163 7.673 30 2HG2 THR 5 2HG2 THR 5 3.367 12.964 5.922 31 3HG2 THR 5 3HG2 THR 5 4.692 13.795 6.725 32 H CYS 6 H CYS 6 2.959 10.978 3.777 33 HA CYS 6 HA CYS 6 5.431 11.057 2.112 34 1HB CYS 6 2HB CYS 6 2.492 11.044 1.369 35 2HB CYS 6 1HB CYS 6 3.837 10.931 0.220 36 H GLY 7 H GLY 7 4.246 13.220 3.943 37 1HA GLY 7 2HA GLY 7 5.214 15.486 2.750 38 2HA GLY 7 1HA GLY 7 3.549 15.402 2.167 39 H SER 8 H SER 8 1.876 15.027 3.953 40 HA SER 8 HA SER 8 2.607 15.863 6.656 41 1HB SER 8 2HB SER 8 0.783 17.758 5.139 42 2HB SER 8 1HB SER 8 1.604 18.014 6.686 43 HG SER 8 HG SER 8 3.501 18.314 5.641 44 H ASN 9 H ASN 9 1.365 13.562 5.847 45 HA ASN 9 HA ASN 9 -1.557 14.000 6.317 46 1HB ASN 9 2HB ASN 9 0.050 11.685 5.200 47 2HB ASN 9 1HB ASN 9 -1.661 11.543 5.659 48 1HD2 ASN 9 1HD2 ASN 9 -3.119 12.036 4.053 49 2HD2 ASN 9 2HD2 ASN 9 -2.751 13.005 2.670 50 H CYS 10 H CYS 10 1.336 12.526 7.710 51 HA CYS 10 HA CYS 10 1.674 11.582 9.763 52 1HB CYS 10 2HB CYS 10 0.692 13.646 10.653 53 2HB CYS 10 1HB CYS 10 -0.940 13.021 10.411 54 H TYR 11 H TYR 11 1.002 9.647 8.241 55 HA TYR 11 HA TYR 11 -1.587 8.422 8.861 56 1HB TYR 11 2HB TYR 11 0.861 7.581 7.283 57 2HB TYR 11 1HB TYR 11 -0.428 6.419 7.623 58 HD1 TYR 11 1HD TYR 11 -2.761 6.865 6.869 59 HD2 TYR 11 2HD TYR 11 0.559 9.302 5.651 60 HE1 TYR 11 1HE TYR 11 -4.088 7.776 5.003 61 HE2 TYR 11 2HE TYR 11 -0.787 10.189 3.767 62 HH TYR 11 HH TYR 11 -3.079 9.089 2.418 63 H SER 12 H SER 12 -1.964 7.257 10.667 64 HA SER 12 HA SER 12 0.227 6.556 12.462 65 1HB SER 12 2HB SER 12 -2.402 5.388 13.073 66 2HB SER 12 1HB SER 12 -1.383 6.458 14.030 67 HG SER 12 HG SER 12 -3.392 7.407 13.329 68 H SER 13 H SER 13 1.199 4.567 12.642 69 HA SER 13 HA SER 13 0.977 2.622 10.624 70 1HB SER 13 2HB SER 13 2.867 2.581 12.148 71 2HB SER 13 1HB SER 13 1.802 2.299 13.531 72 HG SER 13 HG SER 13 2.856 0.380 12.623 73 H SER 14 H SER 14 -1.148 3.251 13.307 74 HA SER 14 HA SER 14 -2.391 0.599 13.224 75 1HB SER 14 2HB SER 14 -3.321 1.204 15.200 76 2HB SER 14 1HB SER 14 -2.189 2.559 15.167 77 HG SER 14 HG SER 14 -4.926 2.518 14.667 78 H ASP 15 H ASP 15 -3.107 3.891 12.058 79 HA ASP 15 HA ASP 15 -5.765 3.162 11.137 80 1HB ASP 15 2HB ASP 15 -4.704 5.555 11.637 81 2HB ASP 15 1HB ASP 15 -4.227 5.476 9.937 82 H VAL 16 H VAL 16 -2.515 3.027 9.901 83 HA VAL 16 HA VAL 16 -3.210 2.718 7.124 84 HB VAL 16 HB VAL 16 -0.755 1.633 8.548 85 1HG1 VAL 16 1HG1 VAL 16 -1.058 0.840 6.238 86 2HG1 VAL 16 2HG1 VAL 16 0.274 1.987 6.316 87 3HG1 VAL 16 3HG1 VAL 16 -1.291 2.499 5.681 88 1HG2 VAL 16 1HG2 VAL 16 -0.045 3.718 8.876 89 2HG2 VAL 16 2HG2 VAL 16 -1.614 4.349 8.394 90 3HG2 VAL 16 3HG2 VAL 16 -0.341 4.155 7.204 91 H SER 17 H SER 17 -2.906 0.563 9.894 92 HA SER 17 HA SER 17 -2.957 -1.911 8.482 93 1HB SER 17 2HB SER 17 -2.530 -2.442 10.653 94 2HB SER 17 1HB SER 17 -3.356 -1.008 11.267 95 HG SER 17 HG SER 17 -4.396 -3.040 11.787 96 H THR 18 H THR 18 -5.517 0.305 9.531 97 HA THR 18 HA THR 18 -7.695 -1.491 8.919 98 HB THR 18 HB THR 18 -8.470 1.284 8.508 99 HG1 THR 18 1HG THR 18 -7.002 0.899 10.921 100 1HG2 THR 18 1HG2 THR 18 -8.834 -0.575 10.869 101 2HG2 THR 18 2HG2 THR 18 -9.885 -0.496 9.452 102 3HG2 THR 18 3HG2 THR 18 -9.762 0.888 10.537 103 H ALA 19 H ALA 19 -5.858 0.924 7.102 104 HA ALA 19 HA ALA 19 -7.478 0.506 4.675 105 1HB ALA 19 1HB ALA 19 -5.806 2.049 3.656 106 2HB ALA 19 2HB ALA 19 -4.938 2.032 5.196 107 3HB ALA 19 3HB ALA 19 -6.554 2.726 5.110 108 H GLN 20 H GLN 20 -4.970 -1.124 6.263 109 HA GLN 20 HA GLN 20 -3.711 -2.106 3.812 110 1HB GLN 20 2HB GLN 20 -2.841 -1.795 6.494 111 2HB GLN 20 1HB GLN 20 -2.959 -3.514 6.248 112 1HG GLN 20 2HG GLN 20 -1.311 -1.539 4.689 113 2HG GLN 20 1HG GLN 20 -0.787 -2.969 5.589 114 1HE2 GLN 20 1HE2 GLN 20 -2.508 -4.937 4.706 115 2HE2 GLN 20 2HE2 GLN 20 -2.458 -5.066 3.006 116 H ALA 21 H ALA 21 -6.065 -3.025 6.223 117 HA ALA 21 HA ALA 21 -6.152 -5.832 5.421 118 1HB ALA 21 1HB ALA 21 -8.144 -5.917 6.876 119 2HB ALA 21 2HB ALA 21 -8.087 -4.161 7.050 120 3HB ALA 21 3HB ALA 21 -6.780 -5.155 7.693 121 H ALA 22 H ALA 22 -7.295 -2.871 4.149 122 HA ALA 22 HA ALA 22 -9.724 -3.926 2.920 123 1HB ALA 22 1HB ALA 22 -9.799 -1.772 1.827 124 2HB ALA 22 2HB ALA 22 -8.159 -1.396 2.299 125 3HB ALA 22 3HB ALA 22 -9.428 -1.524 3.515 126 H GLY 23 H GLY 23 -6.353 -3.263 1.959 127 1HA GLY 23 2HA GLY 23 -6.826 -4.201 -0.800 128 2HA GLY 23 1HA GLY 23 -5.299 -3.700 -0.100 129 H TYR 24 H TYR 24 -6.045 -5.551 2.269 130 HA TYR 24 HA TYR 24 -4.655 -7.887 1.120 131 1HB TYR 24 2HB TYR 24 -3.780 -7.235 3.227 132 2HB TYR 24 1HB TYR 24 -5.392 -7.011 3.914 133 HD1 TYR 24 1HD TYR 24 -5.657 -8.549 5.643 134 HD2 TYR 24 2HD TYR 24 -3.888 -9.822 1.940 135 HE1 TYR 24 1HE TYR 24 -5.630 -10.889 6.462 136 HE2 TYR 24 2HE TYR 24 -3.864 -12.162 2.755 137 HH TYR 24 HH TYR 24 -5.595 -13.379 4.985 138 H GLN 25 H GLN 25 -7.581 -7.390 3.144 139 HA GLN 25 HA GLN 25 -8.620 -9.991 2.819 140 1HB GLN 25 2HB GLN 25 -9.696 -7.352 3.610 141 2HB GLN 25 1HB GLN 25 -10.901 -8.361 2.847 142 1HG GLN 25 2HG GLN 25 -11.180 -9.361 4.798 143 2HG GLN 25 1HG GLN 25 -9.619 -10.150 4.557 144 1HE2 GLN 25 1HE2 GLN 25 -7.890 -9.489 5.879 145 2HE2 GLN 25 2HE2 GLN 25 -8.046 -8.247 7.069 146 H LEU 26 H LEU 26 -8.806 -7.206 0.654 147 HA LEU 26 HA LEU 26 -10.697 -8.405 -1.170 148 1HB LEU 26 2HB LEU 26 -9.016 -5.996 -1.041 149 2HB LEU 26 1HB LEU 26 -9.042 -6.652 -2.662 150 HG LEU 26 HG LEU 26 -10.887 -4.958 -2.069 151 1HD1 LEU 26 1HD1 LEU 26 -11.575 -7.711 -3.118 152 2HD1 LEU 26 2HD1 LEU 26 -10.982 -6.347 -4.062 153 3HD1 LEU 26 3HD1 LEU 26 -12.580 -6.273 -3.323 154 1HD2 LEU 26 1HD2 LEU 26 -12.656 -5.601 -0.717 155 2HD2 LEU 26 2HD2 LEU 26 -11.295 -6.251 0.182 156 3HD2 LEU 26 3HD2 LEU 26 -12.292 -7.318 -0.814 157 H HIS 27 H HIS 27 -7.152 -8.217 -1.161 158 HA HIS 27 HA HIS 27 -6.619 -9.505 -3.572 159 1HB HIS 27 2HB HIS 27 -4.770 -8.678 -2.297 160 2HB HIS 27 1HB HIS 27 -5.198 -9.674 -0.900 161 HD1 HIS 27 1HD HIS 27 -5.044 -10.932 -4.466 162 HD2 HIS 27 2HD HIS 27 -2.950 -11.314 -0.878 163 HE1 HIS 27 1HE HIS 27 -3.360 -12.780 -4.817 164 HE2 HIS 27 2HE HIS 27 -2.311 -13.202 -2.554 165 H GLU 28 H GLU 28 -7.425 -11.023 -0.442 166 HA GLU 28 HA GLU 28 -7.280 -13.701 -1.664 167 1HB GLU 28 2HB GLU 28 -7.173 -12.633 1.005 168 2HB GLU 28 1HB GLU 28 -8.548 -13.731 0.936 169 1HG GLU 28 2HG GLU 28 -7.097 -15.390 1.217 170 2HG GLU 28 1HG GLU 28 -6.588 -15.147 -0.455 171 H ASP 29 H ASP 29 -9.686 -11.275 -1.092 172 HA ASP 29 HA ASP 29 -11.929 -13.095 -1.096 173 1HB ASP 29 2HB ASP 29 -11.852 -10.647 -0.228 174 2HB ASP 29 1HB ASP 29 -12.081 -10.165 -1.910 175 H GLY 30 H GLY 30 -9.901 -11.715 -3.553 176 1HA GLY 30 2HA GLY 30 -9.881 -12.188 -5.842 177 2HA GLY 30 1HA GLY 30 -11.293 -13.224 -5.621 178 H GLU 31 H GLU 31 -11.472 -9.994 -4.341 179 HA GLU 31 HA GLU 31 -13.396 -9.297 -6.524 180 1HB GLU 31 2HB GLU 31 -13.260 -8.812 -3.594 181 2HB GLU 31 1HB GLU 31 -13.753 -7.408 -4.529 182 1HG GLU 31 2HG GLU 31 -15.636 -8.847 -3.783 183 2HG GLU 31 1HG GLU 31 -15.560 -8.586 -5.533 184 H THR 32 H THR 32 -13.463 -6.580 -6.332 185 HA THR 32 HA THR 32 -10.642 -5.693 -6.699 186 HB THR 32 HB THR 32 -12.733 -4.640 -8.594 187 HG1 THR 32 1HG THR 32 -11.484 -7.196 -8.903 188 1HG2 THR 32 1HG2 THR 32 -10.869 -3.743 -9.405 189 2HG2 THR 32 2HG2 THR 32 -10.331 -5.354 -9.864 190 3HG2 THR 32 3HG2 THR 32 -9.857 -4.690 -8.306 191 H VAL 33 H VAL 33 -11.068 -3.067 -7.333 192 HA VAL 33 HA VAL 33 -12.260 -2.065 -4.836 193 HB VAL 33 HB VAL 33 -10.698 -0.647 -7.029 194 1HG1 VAL 33 1HG1 VAL 33 -12.223 0.300 -4.700 195 2HG1 VAL 33 2HG1 VAL 33 -11.513 1.205 -6.034 196 3HG1 VAL 33 3HG1 VAL 33 -10.533 0.788 -4.638 197 1HG2 VAL 33 1HG2 VAL 33 -8.930 -0.647 -5.211 198 2HG2 VAL 33 2HG2 VAL 33 -9.278 -2.217 -5.936 199 3HG2 VAL 33 3HG2 VAL 33 -9.953 -1.804 -4.367 200 H GLY 34 H GLY 34 -12.334 0.001 -7.668 201 1HA GLY 34 2HA GLY 34 -15.311 -0.303 -7.773 202 2HA GLY 34 1HA GLY 34 -14.496 1.257 -7.818 203 H SER 35 H SER 35 -12.362 -0.487 -9.475 204 HA SER 35 HA SER 35 -13.376 -1.312 -11.882 205 1HB SER 35 2HB SER 35 -13.548 1.667 -11.588 206 2HB SER 35 1HB SER 35 -12.944 1.060 -13.127 207 HG SER 35 HG SER 35 -15.297 1.289 -12.922 208 H ASN 36 H ASN 36 -11.033 1.091 -10.644 209 HA ASN 36 HA ASN 36 -8.982 0.174 -12.546 210 1HB ASN 36 2HB ASN 36 -9.212 2.300 -10.439 211 2HB ASN 36 1HB ASN 36 -7.585 1.723 -10.813 212 1HD2 ASN 36 1HD2 ASN 36 -10.491 2.368 -12.851 213 2HD2 ASN 36 2HD2 ASN 36 -9.616 3.357 -13.958 214 H SER 37 H SER 37 -10.234 -1.314 -9.904 215 HA SER 37 HA SER 37 -9.381 -2.738 -8.299 216 1HB SER 37 2HB SER 37 -7.871 -4.421 -9.227 217 2HB SER 37 1HB SER 37 -8.903 -3.886 -10.554 218 HG SER 37 HG SER 37 -6.669 -3.899 -11.107 219 H TYR 38 H TYR 38 -6.717 -3.548 -7.779 220 HA TYR 38 HA TYR 38 -4.786 -1.631 -7.697 221 1HB TYR 38 2HB TYR 38 -6.992 -0.740 -6.072 222 2HB TYR 38 1HB TYR 38 -5.656 -1.112 -5.016 223 HD1 TYR 38 1HD TYR 38 -6.995 1.582 -6.442 224 HD2 TYR 38 2HD TYR 38 -3.268 -0.556 -6.478 225 HE1 TYR 38 1HE TYR 38 -5.805 3.659 -7.096 226 HE2 TYR 38 2HE TYR 38 -2.081 1.512 -7.131 227 HH TYR 38 HH TYR 38 -3.063 3.882 -8.472 228 HA PRO 39 HA PRO 39 -4.085 -4.522 -3.942 229 1HB PRO 39 2HB PRO 39 -5.955 -6.459 -3.499 230 2HB PRO 39 1HB PRO 39 -5.942 -4.877 -2.727 231 1HG PRO 39 2HG PRO 39 -7.704 -5.875 -4.925 232 2HG PRO 39 1HG PRO 39 -8.038 -4.647 -3.693 233 1HD PRO 39 2HD PRO 39 -7.355 -4.183 -6.357 234 2HD PRO 39 1HD PRO 39 -7.346 -2.960 -5.083 235 H HIS 40 H HIS 40 -2.452 -5.336 -5.214 236 HA HIS 40 HA HIS 40 -2.877 -8.095 -6.220 237 1HB HIS 40 2HB HIS 40 -1.112 -6.765 -8.099 238 2HB HIS 40 1HB HIS 40 -2.639 -7.600 -8.406 239 HD1 HIS 40 1HD HIS 40 -4.778 -6.203 -8.530 240 HD2 HIS 40 2HD HIS 40 -1.338 -3.967 -8.064 241 HE1 HIS 40 1HE HIS 40 -5.369 -3.834 -9.085 242 HE2 HIS 40 2HE HIS 40 -3.257 -2.501 -8.943 243 H LYS 41 H LYS 41 -0.389 -8.715 -7.104 244 HA LYS 41 HA LYS 41 1.211 -8.264 -4.666 245 1HB LYS 41 2HB LYS 41 1.171 -10.530 -5.055 246 2HB LYS 41 1HB LYS 41 1.178 -10.356 -6.784 247 1HG LYS 41 2HG LYS 41 3.587 -9.434 -5.222 248 2HG LYS 41 1HG LYS 41 3.304 -11.153 -5.419 249 1HD LYS 41 2HD LYS 41 2.851 -9.910 -7.973 250 2HD LYS 41 1HD LYS 41 4.374 -9.300 -7.318 251 1HE LYS 41 2HE LYS 41 3.961 -12.231 -7.008 252 2HE LYS 41 1HE LYS 41 4.093 -11.645 -8.666 253 1HZ LYS 41 1HZ LYS 41 6.046 -11.077 -6.498 254 2HZ LYS 41 2HZ LYS 41 6.155 -10.533 -8.096 255 3HZ LYS 41 3HZ LYS 41 6.258 -12.183 -7.761 256 H TYR 42 H TYR 42 2.915 -6.875 -4.669 257 HA TYR 42 HA TYR 42 3.923 -5.896 -7.278 258 1HB TYR 42 2HB TYR 42 3.098 -4.104 -5.879 259 2HB TYR 42 1HB TYR 42 4.002 -4.712 -4.483 260 HD1 TYR 42 1HD TYR 42 5.452 -2.904 -4.015 261 HD2 TYR 42 2HD TYR 42 5.173 -4.423 -8.025 262 HE1 TYR 42 1HE TYR 42 7.396 -1.519 -4.679 263 HE2 TYR 42 2HE TYR 42 7.116 -3.052 -8.685 264 HH TYR 42 HH TYR 42 9.273 -1.870 -6.881 265 H ASN 43 H ASN 43 6.116 -6.182 -7.762 266 HA ASN 43 HA ASN 43 7.561 -8.195 -6.295 267 1HB ASN 43 2HB ASN 43 8.590 -6.245 -8.396 268 2HB ASN 43 1HB ASN 43 9.378 -7.745 -7.882 269 1HD2 ASN 43 1HD2 ASN 43 8.728 -9.654 -8.893 270 2HD2 ASN 43 2HD2 ASN 43 7.397 -9.739 -9.990 271 H ASN 44 H ASN 44 8.046 -4.677 -6.606 272 HA ASN 44 HA ASN 44 9.005 -3.175 -5.081 273 1HB ASN 44 2HB ASN 44 8.312 -5.389 -3.445 274 2HB ASN 44 1HB ASN 44 9.964 -4.973 -3.019 275 1HD2 ASN 44 1HD2 ASN 44 10.177 -2.410 -2.855 276 2HD2 ASN 44 2HD2 ASN 44 8.898 -1.647 -1.984 277 H TYR 45 H TYR 45 10.440 -3.762 -7.181 278 HA TYR 45 HA TYR 45 13.122 -4.613 -6.157 279 1HB TYR 45 2HB TYR 45 11.719 -4.788 -8.802 280 2HB TYR 45 1HB TYR 45 13.461 -4.501 -8.860 281 HD1 TYR 45 1HD TYR 45 11.143 -7.032 -8.937 282 HD2 TYR 45 2HD TYR 45 14.781 -5.927 -6.943 283 HE1 TYR 45 1HE TYR 45 11.605 -9.422 -8.462 284 HE2 TYR 45 2HE TYR 45 15.250 -8.315 -6.470 285 HH TYR 45 HH TYR 45 14.258 -10.724 -7.874 286 H GLU 46 H GLU 46 12.343 -2.108 -5.365 287 HA GLU 46 HA GLU 46 13.664 -0.217 -7.251 288 1HB GLU 46 2HB GLU 46 11.815 0.929 -6.628 289 2HB GLU 46 1HB GLU 46 11.530 -0.078 -5.211 290 1HG GLU 46 2HG GLU 46 12.908 1.203 -3.836 291 2HG GLU 46 1HG GLU 46 13.806 1.881 -5.187 292 H GLY 47 H GLY 47 13.961 -1.781 -4.120 293 1HA GLY 47 2HA GLY 47 16.340 -2.049 -3.367 294 2HA GLY 47 1HA GLY 47 16.549 -0.323 -3.657 295 H PHE 48 H PHE 48 13.482 -1.388 -2.385 296 HA PHE 48 HA PHE 48 13.713 0.259 -0.063 297 1HB PHE 48 2HB PHE 48 11.841 -1.999 -0.871 298 2HB PHE 48 1HB PHE 48 11.654 -1.176 0.677 299 HD1 PHE 48 1HD PHE 48 10.999 1.166 0.820 300 HD2 PHE 48 2HD PHE 48 11.411 -0.820 -2.965 301 HE1 PHE 48 1HE PHE 48 9.720 2.962 -0.274 302 HE2 PHE 48 2HE PHE 48 10.138 1.004 -4.058 303 HZ PHE 48 HZ PHE 48 9.296 2.860 -2.701 304 H ASP 49 H ASP 49 12.975 -1.275 2.114 305 HA ASP 49 HA ASP 49 14.759 -3.592 2.256 306 1HB ASP 49 2HB ASP 49 15.507 -0.914 3.304 307 2HB ASP 49 1HB ASP 49 15.651 -2.195 4.505 308 H PHE 50 H PHE 50 11.942 -3.255 2.536 309 HA PHE 50 HA PHE 50 11.146 -3.105 5.285 310 1HB PHE 50 2HB PHE 50 9.796 -4.827 3.196 311 2HB PHE 50 1HB PHE 50 9.053 -4.016 4.571 312 HD1 PHE 50 1HD PHE 50 10.393 -1.343 4.388 313 HD2 PHE 50 2HD PHE 50 8.654 -3.857 1.364 314 HE1 PHE 50 1HE PHE 50 9.946 0.644 2.993 315 HE2 PHE 50 2HE PHE 50 8.192 -1.860 -0.022 316 HZ PHE 50 HZ PHE 50 8.813 0.386 0.802 317 H SER 51 H SER 51 9.932 -5.339 6.117 318 HA SER 51 HA SER 51 11.814 -7.629 5.808 319 1HB SER 51 2HB SER 51 11.621 -7.766 8.464 320 2HB SER 51 1HB SER 51 12.822 -6.724 7.706 321 HG SER 51 HG SER 51 11.455 -5.730 9.376 322 H VAL 52 H VAL 52 9.080 -7.172 4.922 323 HA VAL 52 HA VAL 52 7.431 -8.775 6.805 324 HB VAL 52 HB VAL 52 6.745 -7.465 4.156 325 1HG1 VAL 52 1HG1 VAL 52 5.158 -9.001 6.193 326 2HG1 VAL 52 2HG1 VAL 52 5.217 -9.226 4.469 327 3HG1 VAL 52 3HG1 VAL 52 4.370 -7.835 5.127 328 1HG2 VAL 52 1HG2 VAL 52 6.196 -6.633 7.017 329 2HG2 VAL 52 2HG2 VAL 52 5.575 -5.856 5.568 330 3HG2 VAL 52 3HG2 VAL 52 7.299 -5.829 5.893 331 H SER 53 H SER 53 7.760 -8.909 3.223 332 HA SER 53 HA SER 53 8.662 -11.680 3.319 333 1HB SER 53 2HB SER 53 6.046 -11.597 3.741 334 2HB SER 53 1HB SER 53 6.000 -11.294 2.004 335 HG SER 53 HG SER 53 5.944 -13.574 2.701 336 H SER 54 H SER 54 8.452 -12.587 0.934 337 HA SER 54 HA SER 54 9.795 -10.638 -0.780 338 1HB SER 54 2HB SER 54 8.906 -13.125 -2.108 339 2HB SER 54 1HB SER 54 10.509 -12.449 -1.886 340 HG SER 54 HG SER 54 10.717 -13.424 0.034 341 HA PRO 55 HA PRO 55 5.866 -11.201 -3.451 342 1HB PRO 55 2HB PRO 55 3.762 -12.570 -2.351 343 2HB PRO 55 1HB PRO 55 5.055 -13.323 -3.277 344 1HG PRO 55 2HG PRO 55 4.603 -13.369 -0.324 345 2HG PRO 55 1HG PRO 55 5.406 -14.565 -1.350 346 1HD PRO 55 2HD PRO 55 6.639 -12.649 0.274 347 2HD PRO 55 1HD PRO 55 7.436 -13.642 -0.937 348 H TYR 56 H TYR 56 5.931 -8.958 -2.783 349 HA TYR 56 HA TYR 56 4.245 -8.054 -0.577 350 1HB TYR 56 2HB TYR 56 5.762 -6.659 -2.785 351 2HB TYR 56 1HB TYR 56 4.753 -5.764 -1.700 352 HD1 TYR 56 1HD TYR 56 7.982 -6.976 -2.239 353 HD2 TYR 56 2HD TYR 56 5.122 -6.291 0.881 354 HE1 TYR 56 1HE TYR 56 9.817 -6.912 -0.576 355 HE2 TYR 56 2HE TYR 56 6.948 -6.223 2.545 356 HH TYR 56 HH TYR 56 9.673 -7.426 2.360 357 H TYR 57 H TYR 57 2.721 -6.062 -1.314 358 HA TYR 57 HA TYR 57 1.240 -6.643 -3.766 359 1HB TYR 57 2HB TYR 57 0.084 -6.953 -1.003 360 2HB TYR 57 1HB TYR 57 -0.957 -6.723 -2.421 361 HD1 TYR 57 1HD TYR 57 -1.528 -8.590 -3.766 362 HD2 TYR 57 2HD TYR 57 1.683 -8.909 -0.949 363 HE1 TYR 57 1HE TYR 57 -1.320 -10.982 -4.284 364 HE2 TYR 57 2HE TYR 57 1.857 -11.331 -1.433 365 HH TYR 57 HH TYR 57 -0.093 -13.164 -2.457 366 H GLU 58 H GLU 58 0.058 -4.849 -4.493 367 HA GLU 58 HA GLU 58 0.708 -2.341 -2.988 368 1HB GLU 58 2HB GLU 58 -0.030 -1.319 -5.313 369 2HB GLU 58 1HB GLU 58 1.574 -2.033 -5.105 370 1HG GLU 58 2HG GLU 58 0.867 -4.121 -6.089 371 2HG GLU 58 1HG GLU 58 -0.806 -3.544 -6.175 372 H TRP 59 H TRP 59 -0.871 -0.991 -2.301 373 HA TRP 59 HA TRP 59 -3.608 -1.166 -3.280 374 1HB TRP 59 2HB TRP 59 -3.864 -2.979 -1.769 375 2HB TRP 59 1HB TRP 59 -2.842 -2.217 -0.543 376 HD1 TRP 59 HD TRP 59 -3.937 -0.548 1.090 377 HE1 TRP 59 1HE TRP 59 -6.364 0.150 1.571 378 HE3 TRP 59 3HE TRP 59 -6.250 -2.602 -2.979 379 HZ2 TRP 59 2HZ TRP 59 -8.965 -0.148 0.371 380 HZ3 TRP 59 3HZ TRP 59 -8.683 -2.397 -3.250 381 HH2 TRP 59 HH TRP 59 -10.038 -1.159 -1.640 382 HA PRO 60 HA PRO 60 -3.085 3.078 -2.058 383 1HB PRO 60 2HB PRO 60 -5.716 3.846 -2.167 384 2HB PRO 60 1HB PRO 60 -4.715 3.606 -3.558 385 1HG PRO 60 2HG PRO 60 -6.744 1.757 -2.481 386 2HG PRO 60 1HG PRO 60 -6.366 2.095 -4.158 387 1HD PRO 60 2HD PRO 60 -5.527 -0.116 -2.813 388 2HD PRO 60 1HD PRO 60 -4.643 0.546 -4.123 389 H ILE 61 H ILE 61 -3.125 4.253 -0.192 390 HA ILE 61 HA ILE 61 -4.624 3.072 2.125 391 HB ILE 61 HB ILE 61 -2.429 2.671 2.714 392 1HG1 ILE 61 2HG1 ILE 61 -1.705 4.286 4.346 393 2HG1 ILE 61 1HG1 ILE 61 -2.599 5.593 3.563 394 1HG2 ILE 61 1HG2 ILE 61 -1.410 3.579 0.713 395 2HG2 ILE 61 2HG2 ILE 61 -0.535 4.175 2.100 396 3HG2 ILE 61 3HG2 ILE 61 -1.684 5.218 1.272 397 1HD1 ILE 61 1HD1 ILE 61 -4.509 3.614 4.083 398 2HD1 ILE 61 2HD1 ILE 61 -4.266 5.090 4.942 399 3HD1 ILE 61 3HD1 ILE 61 -3.491 3.637 5.475 400 H LEU 62 H LEU 62 -6.014 4.491 3.162 401 HA LEU 62 HA LEU 62 -5.709 7.416 2.549 402 1HB LEU 62 2HB LEU 62 -8.356 6.183 3.287 403 2HB LEU 62 1HB LEU 62 -8.003 7.616 2.306 404 HG LEU 62 HG LEU 62 -7.640 4.712 1.495 405 1HD1 LEU 62 1HD1 LEU 62 -9.231 5.297 -0.247 406 2HD1 LEU 62 2HD1 LEU 62 -9.287 6.965 0.310 407 3HD1 LEU 62 3HD1 LEU 62 -9.926 5.670 1.322 408 1HD2 LEU 62 1HD2 LEU 62 -7.141 6.482 -0.657 409 2HD2 LEU 62 2HD2 LEU 62 -6.023 5.386 0.095 410 3HD2 LEU 62 3HD2 LEU 62 -6.133 7.052 0.645 411 H SER 63 H SER 63 -6.675 8.828 4.261 412 HA SER 63 HA SER 63 -6.163 7.622 6.969 413 1HB SER 63 2HB SER 63 -5.573 9.859 7.701 414 2HB SER 63 1HB SER 63 -4.653 9.512 6.252 415 HG SER 63 HG SER 63 -5.762 11.606 6.324 416 H SER 64 H SER 64 -8.607 8.519 4.927 417 HA SER 64 HA SER 64 -10.328 9.937 6.770 418 1HB SER 64 2HB SER 64 -10.301 9.321 4.009 419 2HB SER 64 1HB SER 64 -11.729 8.507 4.646 420 HG SER 64 HG SER 64 -11.080 11.247 4.677 421 H GLY 65 H GLY 65 -9.902 6.538 5.782 422 1HA GLY 65 2HA GLY 65 -10.318 4.782 7.421 423 2HA GLY 65 1HA GLY 65 -11.614 5.744 8.120 424 H ASP 66 H ASP 66 -10.880 4.886 4.715 425 HA ASP 66 HA ASP 66 -13.327 3.225 4.625 426 1HB ASP 66 2HB ASP 66 -13.244 5.978 3.693 427 2HB ASP 66 1HB ASP 66 -13.467 4.906 2.308 428 H VAL 67 H VAL 67 -13.289 1.737 2.907 429 HA VAL 67 HA VAL 67 -10.670 1.036 1.933 430 HB VAL 67 HB VAL 67 -13.413 0.129 0.975 431 1HG1 VAL 67 1HG1 VAL 67 -10.685 -1.090 0.588 432 2HG1 VAL 67 2HG1 VAL 67 -11.630 -0.346 -0.673 433 3HG1 VAL 67 3HG1 VAL 67 -12.182 -1.822 0.096 434 1HG2 VAL 67 1HG2 VAL 67 -13.113 -0.361 3.320 435 2HG2 VAL 67 2HG2 VAL 67 -11.489 -0.964 3.045 436 3HG2 VAL 67 3HG2 VAL 67 -12.874 -1.856 2.426 437 H TYR 68 H TYR 68 -9.683 1.582 -0.001 438 HA TYR 68 HA TYR 68 -10.324 3.865 -1.412 439 1HB TYR 68 2HB TYR 68 -8.221 2.376 -1.563 440 2HB TYR 68 1HB TYR 68 -9.073 1.480 -2.832 441 HD1 TYR 68 1HD TYR 68 -7.997 4.907 -1.810 442 HD2 TYR 68 2HD TYR 68 -9.136 2.321 -5.034 443 HE1 TYR 68 1HE TYR 68 -7.371 6.669 -3.436 444 HE2 TYR 68 2HE TYR 68 -8.510 4.072 -6.667 445 HH TYR 68 HH TYR 68 -7.469 7.296 -5.618 446 H SER 69 H SER 69 -11.473 4.309 -3.360 447 HA SER 69 HA SER 69 -12.836 2.313 -4.903 448 1HB SER 69 2HB SER 69 -14.096 2.286 -2.625 449 2HB SER 69 1HB SER 69 -14.733 3.842 -3.137 450 HG SER 69 HG SER 69 -15.086 1.296 -4.294 451 H GLY 70 H GLY 70 -11.363 4.337 -5.827 452 1HA GLY 70 2HA GLY 70 -11.868 5.762 -7.727 453 2HA GLY 70 1HA GLY 70 -13.417 6.181 -7.006 454 H GLY 71 H GLY 71 -10.441 7.419 -7.619 455 1HA GLY 71 2HA GLY 71 -10.762 9.818 -6.231 456 2HA GLY 71 1HA GLY 71 -9.869 8.782 -5.113 457 H SER 72 H SER 72 -7.769 9.489 -5.219 458 HA SER 72 HA SER 72 -6.634 10.087 -7.909 459 1HB SER 72 2HB SER 72 -4.793 10.720 -5.808 460 2HB SER 72 1HB SER 72 -5.658 11.804 -6.903 461 HG SER 72 HG SER 72 -6.247 12.279 -4.792 462 HA PRO 73 HA PRO 73 -4.615 6.076 -7.258 463 1HB PRO 73 2HB PRO 73 -3.690 5.866 -9.825 464 2HB PRO 73 1HB PRO 73 -5.330 5.455 -9.328 465 1HG PRO 73 2HG PRO 73 -4.372 7.871 -10.818 466 2HG PRO 73 1HG PRO 73 -5.948 7.064 -10.891 467 1HD PRO 73 2HD PRO 73 -5.371 9.436 -9.474 468 2HD PRO 73 1HD PRO 73 -6.814 8.426 -9.266 469 H GLY 74 H GLY 74 -2.642 6.075 -6.247 470 1HA GLY 74 2HA GLY 74 -0.251 6.165 -6.470 471 2HA GLY 74 1HA GLY 74 -0.389 7.627 -7.440 472 H ALA 75 H ALA 75 0.599 9.193 -6.153 473 HA ALA 75 HA ALA 75 0.883 10.646 -4.371 474 1HB ALA 75 1HB ALA 75 -1.812 9.532 -3.495 475 2HB ALA 75 2HB ALA 75 -1.537 10.921 -4.518 476 3HB ALA 75 3HB ALA 75 -1.023 10.958 -2.839 477 H ASP 76 H ASP 76 -0.915 8.299 -2.369 478 HA ASP 76 HA ASP 76 1.680 7.468 -1.150 479 1HB ASP 76 2HB ASP 76 -0.817 8.114 0.451 480 2HB ASP 76 1HB ASP 76 0.822 7.811 1.049 481 H ARG 77 H ARG 77 1.771 5.319 -1.579 482 HA ARG 77 HA ARG 77 -0.721 3.689 -1.161 483 1HB ARG 77 2HB ARG 77 1.371 3.682 -3.268 484 2HB ARG 77 1HB ARG 77 0.960 2.087 -2.648 485 1HG ARG 77 2HG ARG 77 -0.431 2.764 -4.587 486 2HG ARG 77 1HG ARG 77 -1.374 2.424 -3.132 487 1HD ARG 77 2HD ARG 77 -1.295 4.906 -2.676 488 2HD ARG 77 1HD ARG 77 -0.649 5.128 -4.283 489 HE ARG 77 HE ARG 77 -2.903 3.663 -4.718 490 1HH1 ARG 77 1HH1 ARG 77 -2.369 6.421 -2.653 491 2HH1 ARG 77 2HH1 ARG 77 -3.769 7.242 -3.214 492 1HH2 ARG 77 1HH2 ARG 77 -4.685 4.826 -5.499 493 2HH2 ARG 77 2HH2 ARG 77 -5.083 6.356 -4.811 494 H VAL 78 H VAL 78 -0.509 1.788 0.076 495 HA VAL 78 HA VAL 78 2.090 1.582 1.566 496 HB VAL 78 HB VAL 78 0.040 2.246 2.901 497 1HG1 VAL 78 1HG1 VAL 78 -1.685 0.672 3.286 498 2HG1 VAL 78 2HG1 VAL 78 -0.804 -0.639 2.518 499 3HG1 VAL 78 3HG1 VAL 78 -1.477 0.665 1.542 500 1HG2 VAL 78 1HG2 VAL 78 0.494 0.536 4.684 501 2HG2 VAL 78 2HG2 VAL 78 1.944 1.257 4.016 502 3HG2 VAL 78 3HG2 VAL 78 1.458 -0.364 3.531 503 H VAL 79 H VAL 79 3.129 -0.378 1.507 504 HA VAL 79 HA VAL 79 1.877 -2.506 -0.165 505 HB VAL 79 HB VAL 79 4.717 -2.024 0.751 506 1HG1 VAL 79 1HG1 VAL 79 4.328 -4.448 0.693 507 2HG1 VAL 79 2HG1 VAL 79 5.281 -3.979 -0.677 508 3HG1 VAL 79 3HG1 VAL 79 3.567 -4.301 -0.876 509 1HG2 VAL 79 1HG2 VAL 79 5.172 -1.448 -1.453 510 2HG2 VAL 79 2HG2 VAL 79 3.587 -0.724 -1.179 511 3HG2 VAL 79 3HG2 VAL 79 3.718 -2.227 -2.075 512 H PHE 80 H PHE 80 2.260 -4.749 0.497 513 HA PHE 80 HA PHE 80 2.733 -5.324 3.301 514 1HB PHE 80 2HB PHE 80 0.418 -6.130 3.714 515 2HB PHE 80 1HB PHE 80 0.479 -4.411 3.371 516 HD1 PHE 80 1HD PHE 80 0.166 -3.702 0.840 517 HD2 PHE 80 2HD PHE 80 -1.061 -7.461 2.511 518 HE1 PHE 80 1HE PHE 80 -1.387 -4.011 -1.038 519 HE2 PHE 80 2HE PHE 80 -2.637 -7.770 0.624 520 HZ PHE 80 HZ PHE 80 -2.808 -6.043 -1.149 521 H ASN 81 H ASN 81 1.636 -7.834 3.482 522 HA ASN 81 HA ASN 81 2.596 -9.202 0.988 523 1HB ASN 81 2HB ASN 81 4.308 -9.475 2.630 524 2HB ASN 81 1HB ASN 81 3.148 -9.903 3.889 525 1HD2 ASN 81 1HD2 ASN 81 2.719 -12.110 4.107 526 2HD2 ASN 81 2HD2 ASN 81 3.154 -13.291 2.928 527 H GLU 82 H GLU 82 1.314 -10.627 3.950 528 HA GLU 82 HA GLU 82 -1.292 -11.147 2.669 529 1HB GLU 82 2HB GLU 82 0.721 -13.320 3.348 530 2HB GLU 82 1HB GLU 82 -1.006 -13.644 3.134 531 1HG GLU 82 2HG GLU 82 -0.795 -12.495 0.852 532 2HG GLU 82 1HG GLU 82 0.959 -12.613 1.086 533 H ASN 83 H ASN 83 0.277 -10.172 5.328 534 HA ASN 83 HA ASN 83 -1.906 -11.163 7.071 535 1HB ASN 83 2HB ASN 83 0.649 -12.204 7.280 536 2HB ASN 83 1HB ASN 83 0.746 -10.850 8.403 537 1HD2 ASN 83 1HD2 ASN 83 0.917 -13.288 9.557 538 2HD2 ASN 83 2HD2 ASN 83 -0.569 -13.682 10.345 539 H ASN 84 H ASN 84 -0.881 -8.592 5.602 540 HA ASN 84 HA ASN 84 -0.919 -6.338 6.029 541 1HB ASN 84 2HB ASN 84 -3.134 -6.817 6.972 542 2HB ASN 84 1HB ASN 84 -2.417 -7.257 8.521 543 1HD2 ASN 84 1HD2 ASN 84 -3.944 -5.419 9.220 544 2HD2 ASN 84 2HD2 ASN 84 -3.262 -3.863 9.170 545 H GLN 85 H GLN 85 1.335 -7.958 6.950 546 HA GLN 85 HA GLN 85 2.206 -7.115 9.569 547 1HB GLN 85 2HB GLN 85 4.239 -7.573 7.426 548 2HB GLN 85 1HB GLN 85 4.206 -8.161 9.078 549 1HG GLN 85 2HG GLN 85 2.006 -9.423 7.990 550 2HG GLN 85 1HG GLN 85 3.112 -9.384 6.622 551 1HE2 GLN 85 1HE2 GLN 85 3.492 -9.854 10.173 552 2HE2 GLN 85 2HE2 GLN 85 4.400 -11.311 9.995 553 H LEU 86 H LEU 86 2.166 -5.682 6.394 554 HA LEU 86 HA LEU 86 2.325 -3.457 5.871 555 1HB LEU 86 2HB LEU 86 2.210 -3.203 8.586 556 2HB LEU 86 1HB LEU 86 3.872 -2.658 8.320 557 HG LEU 86 HG LEU 86 2.373 -0.752 8.226 558 1HD1 LEU 86 1HD1 LEU 86 3.073 -1.426 5.360 559 2HD1 LEU 86 2HD1 LEU 86 4.305 -0.993 6.551 560 3HD1 LEU 86 3HD1 LEU 86 3.033 0.150 6.139 561 1HD2 LEU 86 1HD2 LEU 86 0.395 -2.312 7.496 562 2HD2 LEU 86 2HD2 LEU 86 0.957 -1.955 5.861 563 3HD2 LEU 86 3HD2 LEU 86 0.447 -0.650 6.919 564 H ALA 87 H ALA 87 3.762 -3.387 4.248 565 HA ALA 87 HA ALA 87 6.588 -4.132 4.648 566 1HB ALA 87 1HB ALA 87 5.275 -2.953 2.211 567 2HB ALA 87 2HB ALA 87 5.277 -4.666 2.560 568 3HB ALA 87 3HB ALA 87 6.777 -3.827 2.273 569 H GLY 88 H GLY 88 4.641 -1.237 4.045 570 1HA GLY 88 2HA GLY 88 5.987 0.645 5.439 571 2HA GLY 88 1HA GLY 88 7.025 0.502 4.029 572 H VAL 89 H VAL 89 5.822 2.928 4.455 573 HA VAL 89 HA VAL 89 3.453 2.959 2.616 574 HB VAL 89 HB VAL 89 4.502 4.961 4.612 575 1HG1 VAL 89 1HG1 VAL 89 2.474 5.261 2.408 576 2HG1 VAL 89 2HG1 VAL 89 3.811 6.330 2.832 577 3HG1 VAL 89 3HG1 VAL 89 2.399 6.249 3.868 578 1HG2 VAL 89 1HG2 VAL 89 3.109 3.096 5.477 579 2HG2 VAL 89 2HG2 VAL 89 1.887 3.471 4.304 580 3HG2 VAL 89 3HG2 VAL 89 2.203 4.609 5.578 581 H ILE 90 H ILE 90 4.313 3.021 0.582 582 HA ILE 90 HA ILE 90 6.612 4.827 0.000 583 HB ILE 90 HB ILE 90 6.549 3.807 -2.222 584 1HG1 ILE 90 2HG1 ILE 90 3.941 2.759 -1.210 585 2HG1 ILE 90 1HG1 ILE 90 4.409 3.150 -2.837 586 1HG2 ILE 90 1HG2 ILE 90 6.408 1.709 -0.052 587 2HG2 ILE 90 2HG2 ILE 90 7.739 2.815 -0.261 588 3HG2 ILE 90 3HG2 ILE 90 7.376 1.657 -1.528 589 1HD1 ILE 90 1HD1 ILE 90 5.776 1.045 -2.874 590 2HD1 ILE 90 2HD1 ILE 90 4.048 0.785 -2.672 591 3HD1 ILE 90 3HD1 ILE 90 5.116 0.675 -1.286 592 H THR 91 H THR 91 6.400 6.176 -2.042 593 HA THR 91 HA THR 91 3.754 7.541 -2.001 594 HB THR 91 HB THR 91 5.946 8.778 -1.429 595 HG1 THR 91 1HG THR 91 5.050 10.588 -2.249 596 1HG2 THR 91 1HG2 THR 91 6.298 9.018 -4.361 597 2HG2 THR 91 2HG2 THR 91 7.030 7.658 -3.531 598 3HG2 THR 91 3HG2 THR 91 7.457 9.304 -3.071 599 H HIS 92 H HIS 92 3.676 8.878 -4.298 600 HA HIS 92 HA HIS 92 4.316 7.067 -6.527 601 1HB HIS 92 2HB HIS 92 1.674 7.347 -5.339 602 2HB HIS 92 1HB HIS 92 1.650 7.761 -7.059 603 HD1 HIS 92 1HD HIS 92 2.171 5.888 -8.736 604 HD2 HIS 92 2HD HIS 92 2.244 4.659 -4.761 605 HE1 HIS 92 1HE HIS 92 2.199 3.371 -8.776 606 HE2 HIS 92 2HE HIS 92 2.372 2.602 -6.361 607 H THR 93 H THR 93 5.680 9.202 -6.448 608 HA THR 93 HA THR 93 5.026 10.790 -8.674 609 HB THR 93 HB THR 93 3.846 11.804 -6.102 610 HG1 THR 93 1HG THR 93 3.100 11.982 -8.865 611 1HG2 THR 93 1HG2 THR 93 3.795 14.093 -7.199 612 2HG2 THR 93 2HG2 THR 93 5.080 13.539 -8.263 613 3HG2 THR 93 3HG2 THR 93 5.341 13.616 -6.512 614 H GLY 94 H GLY 94 6.649 10.610 -5.548 615 1HA GLY 94 2HA GLY 94 8.501 12.742 -5.963 616 2HA GLY 94 1HA GLY 94 8.721 11.391 -4.854 617 H ALA 95 H ALA 95 8.244 9.739 -7.602 618 HA ALA 95 HA ALA 95 11.122 9.918 -8.413 619 1HB ALA 95 1HB ALA 95 10.843 7.850 -7.301 620 2HB ALA 95 2HB ALA 95 10.761 7.447 -9.016 621 3HB ALA 95 3HB ALA 95 9.281 7.568 -8.058 622 H SER 96 H SER 96 11.342 8.781 -10.690 623 HA SER 96 HA SER 96 10.253 10.354 -12.666 624 1HB SER 96 2HB SER 96 11.645 7.866 -12.611 625 2HB SER 96 1HB SER 96 10.270 7.632 -13.691 626 HG SER 96 HG SER 96 12.091 8.507 -14.773 627 H GLY 97 H GLY 97 8.171 10.733 -13.343 628 1HA GLY 97 2HA GLY 97 5.880 10.377 -13.696 629 2HA GLY 97 1HA GLY 97 6.200 8.639 -13.638 630 H ASN 98 H ASN 98 6.169 7.580 -11.566 631 HA ASN 98 HA ASN 98 5.663 9.054 -9.154 632 1HB ASN 98 2HB ASN 98 3.284 7.556 -9.140 633 2HB ASN 98 1HB ASN 98 3.432 9.282 -9.407 634 1HD2 ASN 98 1HD2 ASN 98 2.916 10.133 -11.388 635 2HD2 ASN 98 2HD2 ASN 98 2.512 9.150 -12.750 636 H ASN 99 H ASN 99 7.523 7.053 -9.959 637 HA ASN 99 HA ASN 99 6.861 4.432 -9.262 638 1HB ASN 99 2HB ASN 99 9.185 5.586 -9.990 639 2HB ASN 99 1HB ASN 99 9.487 5.520 -8.252 640 1HD2 ASN 99 1HD2 ASN 99 11.221 3.983 -9.377 641 2HD2 ASN 99 2HD2 ASN 99 10.747 2.321 -9.385 642 H PHE 100 H PHE 100 7.938 3.432 -7.025 643 HA PHE 100 HA PHE 100 6.625 5.013 -4.866 644 1HB PHE 100 2HB PHE 100 7.374 2.221 -4.227 645 2HB PHE 100 1HB PHE 100 5.895 3.114 -3.975 646 HD1 PHE 100 1HD PHE 100 6.535 0.243 -5.143 647 HD2 PHE 100 2HD PHE 100 5.166 3.972 -6.727 648 HE1 PHE 100 1HE PHE 100 5.368 -0.940 -7.010 649 HE2 PHE 100 2HE PHE 100 4.126 2.786 -8.615 650 HZ PHE 100 HZ PHE 100 4.186 0.323 -8.734 651 H VAL 101 H VAL 101 7.722 5.396 -2.963 652 HA VAL 101 HA VAL 101 10.420 4.417 -2.499 653 HB VAL 101 HB VAL 101 11.003 7.095 -2.359 654 1HG1 VAL 101 1HG1 VAL 101 12.358 5.226 -3.357 655 2HG1 VAL 101 2HG1 VAL 101 12.384 6.721 -4.267 656 3HG1 VAL 101 3HG1 VAL 101 11.390 5.396 -4.828 657 1HG2 VAL 101 1HG2 VAL 101 9.415 6.738 -4.916 658 2HG2 VAL 101 2HG2 VAL 101 10.231 8.175 -4.331 659 3HG2 VAL 101 3HG2 VAL 101 8.839 7.571 -3.484 660 H GLU 102 H GLU 102 10.933 4.569 -0.355 661 HA GLU 102 HA GLU 102 9.046 4.721 1.607 662 1HB GLU 102 2HB GLU 102 11.061 5.812 3.056 663 2HB GLU 102 1HB GLU 102 11.069 4.130 2.524 664 1HG GLU 102 2HG GLU 102 13.182 5.461 2.074 665 2HG GLU 102 1HG GLU 102 12.518 4.593 0.692 666 H CYS 103 H CYS 103 7.915 6.295 2.741 667 HA CYS 103 HA CYS 103 8.062 9.053 1.623 668 1HB CYS 103 2HB CYS 103 6.017 7.454 3.162 669 2HB CYS 103 1HB CYS 103 5.957 9.203 3.227 670 H THR 104 H THR 104 9.819 10.020 2.646 671 HA THR 104 HA THR 104 9.536 10.354 5.614 672 HB THR 104 HB THR 104 11.752 9.820 6.020 673 HG1 THR 104 1HG THR 104 13.369 10.338 4.636 674 1HG2 THR 104 1HG2 THR 104 11.384 8.294 3.435 675 2HG2 THR 104 2HG2 THR 104 10.608 7.837 4.951 676 3HG2 THR 104 3HG2 THR 104 12.363 7.838 4.820 Start of MODEL 8 1 1H ALA 1 1HT ALA 1 -1.621 11.990 15.509 2 2H ALA 1 2HT ALA 1 -0.187 12.888 15.204 3 3H ALA 1 3HT ALA 1 -0.729 12.661 16.813 4 HA ALA 1 HA ALA 1 1.126 11.242 16.343 5 1HB ALA 1 1HB ALA 1 -1.515 9.766 16.559 6 2HB ALA 1 2HB ALA 1 -0.609 10.470 17.896 7 3HB ALA 1 3HB ALA 1 0.067 9.113 16.997 8 H CYS 2 H CYS 2 2.242 10.228 14.724 9 HA CYS 2 HA CYS 2 1.127 8.444 12.865 10 1HB CYS 2 2HB CYS 2 1.134 9.762 10.817 11 2HB CYS 2 1HB CYS 2 -0.019 10.454 11.943 12 H ASP 3 H ASP 3 2.800 7.290 11.970 13 HA ASP 3 HA ASP 3 5.535 8.387 12.391 14 1HB ASP 3 2HB ASP 3 4.905 6.054 13.164 15 2HB ASP 3 1HB ASP 3 4.745 5.591 11.465 16 H TYR 4 H TYR 4 3.350 7.263 9.830 17 HA TYR 4 HA TYR 4 5.426 7.794 7.772 18 1HB TYR 4 2HB TYR 4 2.557 6.793 7.553 19 2HB TYR 4 1HB TYR 4 3.701 6.926 6.205 20 HD1 TYR 4 1HD TYR 4 2.414 4.715 8.607 21 HD2 TYR 4 2HD TYR 4 6.080 5.834 6.668 22 HE1 TYR 4 1HE TYR 4 3.382 2.498 9.153 23 HE2 TYR 4 2HE TYR 4 7.050 3.618 7.212 24 HH TYR 4 HH TYR 4 6.256 1.719 9.376 25 H THR 5 H THR 5 5.512 10.103 8.232 26 HA THR 5 HA THR 5 3.088 11.653 7.575 27 HB THR 5 HB THR 5 4.426 12.356 9.524 28 HG1 THR 5 1HG THR 5 4.697 14.277 7.421 29 1HG2 THR 5 1HG2 THR 5 6.624 11.712 7.919 30 2HG2 THR 5 2HG2 THR 5 6.652 12.555 9.453 31 3HG2 THR 5 3HG2 THR 5 6.622 13.471 7.958 32 H CYS 6 H CYS 6 2.943 11.248 5.296 33 HA CYS 6 HA CYS 6 5.250 12.072 3.636 34 1HB CYS 6 2HB CYS 6 2.953 10.332 3.273 35 2HB CYS 6 1HB CYS 6 2.965 11.535 1.993 36 H GLY 7 H GLY 7 3.929 13.219 1.451 37 1HA GLY 7 2HA GLY 7 3.755 15.928 2.234 38 2HA GLY 7 1HA GLY 7 3.152 15.279 0.712 39 H SER 8 H SER 8 2.265 16.275 3.939 40 HA SER 8 HA SER 8 0.180 16.776 4.833 41 1HB SER 8 2HB SER 8 -1.472 17.521 3.371 42 2HB SER 8 1HB SER 8 -0.067 17.589 2.299 43 HG SER 8 HG SER 8 -1.773 16.468 1.300 44 H ASN 9 H ASN 9 1.038 14.213 5.272 45 HA ASN 9 HA ASN 9 -1.485 12.627 4.960 46 1HB ASN 9 2HB ASN 9 1.115 11.979 3.978 47 2HB ASN 9 1HB ASN 9 0.867 10.942 5.381 48 1HD2 ASN 9 1HD2 ASN 9 -1.582 12.139 3.041 49 2HD2 ASN 9 2HD2 ASN 9 -2.053 10.549 2.586 50 H CYS 10 H CYS 10 1.515 12.258 6.861 51 HA CYS 10 HA CYS 10 1.770 11.815 9.093 52 1HB CYS 10 2HB CYS 10 1.097 14.182 9.265 53 2HB CYS 10 1HB CYS 10 -0.607 13.711 9.289 54 H TYR 11 H TYR 11 0.536 9.717 7.949 55 HA TYR 11 HA TYR 11 -1.925 9.124 9.513 56 1HB TYR 11 2HB TYR 11 -0.503 7.784 7.192 57 2HB TYR 11 1HB TYR 11 -1.733 6.909 8.115 58 HD1 TYR 11 1HD TYR 11 -1.736 7.802 5.131 59 HD2 TYR 11 2HD TYR 11 -3.503 9.422 8.703 60 HE1 TYR 11 1HE TYR 11 -3.529 8.849 3.781 61 HE2 TYR 11 2HE TYR 11 -5.255 10.486 7.356 62 HH TYR 11 HH TYR 11 -5.211 11.158 4.389 63 H SER 12 H SER 12 -2.034 7.481 11.046 64 HA SER 12 HA SER 12 0.549 6.836 12.295 65 1HB SER 12 2HB SER 12 -1.488 5.428 13.650 66 2HB SER 12 1HB SER 12 -0.774 6.979 14.102 67 HG SER 12 HG SER 12 -2.417 8.042 13.155 68 H SER 13 H SER 13 1.589 4.916 12.197 69 HA SER 13 HA SER 13 1.105 3.035 10.179 70 1HB SER 13 2HB SER 13 2.804 1.779 11.127 71 2HB SER 13 1HB SER 13 3.107 3.326 11.925 72 HG SER 13 HG SER 13 2.951 1.406 13.325 73 H SER 14 H SER 14 -0.422 3.375 13.309 74 HA SER 14 HA SER 14 -1.559 0.719 13.366 75 1HB SER 14 2HB SER 14 -1.550 3.073 15.058 76 2HB SER 14 1HB SER 14 -3.210 2.508 14.859 77 HG SER 14 HG SER 14 -2.669 0.571 15.709 78 H ASP 15 H ASP 15 -2.702 3.928 12.314 79 HA ASP 15 HA ASP 15 -5.312 2.917 11.508 80 1HB ASP 15 2HB ASP 15 -3.934 5.496 11.591 81 2HB ASP 15 1HB ASP 15 -4.730 5.286 10.031 82 H VAL 16 H VAL 16 -2.137 2.921 10.173 83 HA VAL 16 HA VAL 16 -2.987 2.665 7.406 84 HB VAL 16 HB VAL 16 -0.309 1.881 8.604 85 1HG1 VAL 16 1HG1 VAL 16 -1.242 2.723 5.841 86 2HG1 VAL 16 2HG1 VAL 16 -0.621 1.149 6.312 87 3HG1 VAL 16 3HG1 VAL 16 0.449 2.545 6.295 88 1HG2 VAL 16 1HG2 VAL 16 -1.536 4.469 8.628 89 2HG2 VAL 16 2HG2 VAL 16 -0.317 4.481 7.376 90 3HG2 VAL 16 3HG2 VAL 16 0.118 4.044 8.998 91 H SER 17 H SER 17 -2.349 0.536 10.135 92 HA SER 17 HA SER 17 -2.116 -1.907 8.660 93 1HB SER 17 2HB SER 17 -1.769 -1.307 11.251 94 2HB SER 17 1HB SER 17 -3.413 -1.944 11.361 95 HG SER 17 HG SER 17 -1.720 -3.545 11.572 96 H THR 18 H THR 18 -4.858 -0.012 9.850 97 HA THR 18 HA THR 18 -6.855 -2.016 9.280 98 HB THR 18 HB THR 18 -8.060 0.551 8.966 99 HG1 THR 18 1HG THR 18 -7.069 1.820 10.439 100 1HG2 THR 18 1HG2 THR 18 -7.699 -1.134 11.458 101 2HG2 THR 18 2HG2 THR 18 -8.952 -1.360 10.234 102 3HG2 THR 18 3HG2 THR 18 -8.923 0.110 11.205 103 H ALA 19 H ALA 19 -5.783 0.895 7.504 104 HA ALA 19 HA ALA 19 -7.276 0.319 5.122 105 1HB ALA 19 1HB ALA 19 -4.659 1.787 5.480 106 2HB ALA 19 2HB ALA 19 -6.261 2.524 5.527 107 3HB ALA 19 3HB ALA 19 -5.647 1.845 4.015 108 H GLN 20 H GLN 20 -4.457 -1.078 6.541 109 HA GLN 20 HA GLN 20 -3.357 -2.155 4.119 110 1HB GLN 20 2HB GLN 20 -2.499 -1.923 6.775 111 2HB GLN 20 1HB GLN 20 -2.697 -3.647 6.594 112 1HG GLN 20 2HG GLN 20 -0.864 -1.768 5.143 113 2HG GLN 20 1HG GLN 20 -0.513 -3.322 5.908 114 1HE2 GLN 20 1HE2 GLN 20 -2.357 -5.016 4.770 115 2HE2 GLN 20 2HE2 GLN 20 -2.287 -4.974 3.065 116 H ALA 21 H ALA 21 -5.571 -3.254 6.647 117 HA ALA 21 HA ALA 21 -5.807 -5.959 5.615 118 1HB ALA 21 1HB ALA 21 -7.733 -6.111 7.154 119 2HB ALA 21 2HB ALA 21 -7.630 -4.373 7.448 120 3HB ALA 21 3HB ALA 21 -6.316 -5.433 7.956 121 H ALA 22 H ALA 22 -6.769 -2.989 4.392 122 HA ALA 22 HA ALA 22 -9.365 -3.803 3.337 123 1HB ALA 22 1HB ALA 22 -9.376 -1.621 2.299 124 2HB ALA 22 2HB ALA 22 -7.663 -1.390 2.628 125 3HB ALA 22 3HB ALA 22 -8.813 -1.442 3.958 126 H GLY 23 H GLY 23 -6.288 -2.736 1.771 127 1HA GLY 23 2HA GLY 23 -6.928 -3.841 -0.795 128 2HA GLY 23 1HA GLY 23 -5.315 -3.473 -0.214 129 H TYR 24 H TYR 24 -5.934 -5.283 2.188 130 HA TYR 24 HA TYR 24 -4.783 -7.679 0.973 131 1HB TYR 24 2HB TYR 24 -3.833 -7.173 3.066 132 2HB TYR 24 1HB TYR 24 -5.392 -6.739 3.772 133 HD1 TYR 24 1HD TYR 24 -4.555 -9.777 1.771 134 HD2 TYR 24 2HD TYR 24 -5.525 -8.170 5.637 135 HE1 TYR 24 1HE TYR 24 -4.801 -12.071 2.661 136 HE2 TYR 24 2HE TYR 24 -5.767 -10.469 6.530 137 HH TYR 24 HH TYR 24 -4.565 -13.064 5.344 138 H GLN 25 H GLN 25 -7.612 -7.147 3.138 139 HA GLN 25 HA GLN 25 -8.830 -9.630 2.765 140 1HB GLN 25 2HB GLN 25 -9.586 -7.242 3.970 141 2HB GLN 25 1HB GLN 25 -10.781 -7.389 2.689 142 1HG GLN 25 2HG GLN 25 -11.137 -9.782 3.503 143 2HG GLN 25 1HG GLN 25 -10.154 -9.337 4.911 144 1HE2 GLN 25 1HE2 GLN 25 -13.199 -9.874 4.454 145 2HE2 GLN 25 2HE2 GLN 25 -13.923 -8.530 5.262 146 H LEU 26 H LEU 26 -8.813 -6.833 0.619 147 HA LEU 26 HA LEU 26 -10.755 -7.867 -1.232 148 1HB LEU 26 2HB LEU 26 -9.254 -5.483 -0.916 149 2HB LEU 26 1HB LEU 26 -8.719 -6.141 -2.446 150 HG LEU 26 HG LEU 26 -10.685 -4.607 -2.653 151 1HD1 LEU 26 1HD1 LEU 26 -11.153 -7.519 -3.398 152 2HD1 LEU 26 2HD1 LEU 26 -10.301 -6.310 -4.363 153 3HD1 LEU 26 3HD1 LEU 26 -12.014 -6.133 -4.034 154 1HD2 LEU 26 1HD2 LEU 26 -12.736 -5.088 -1.684 155 2HD2 LEU 26 2HD2 LEU 26 -11.636 -5.547 -0.393 156 3HD2 LEU 26 3HD2 LEU 26 -12.366 -6.786 -1.417 157 H HIS 27 H HIS 27 -7.211 -7.949 -1.140 158 HA HIS 27 HA HIS 27 -6.813 -9.247 -3.629 159 1HB HIS 27 2HB HIS 27 -4.907 -8.343 -2.477 160 2HB HIS 27 1HB HIS 27 -5.223 -9.336 -1.047 161 HD1 HIS 27 1HD HIS 27 -5.269 -10.600 -4.624 162 HD2 HIS 27 2HD HIS 27 -2.968 -10.962 -1.164 163 HE1 HIS 27 1HE HIS 27 -3.576 -12.418 -5.080 164 HE2 HIS 27 2HE HIS 27 -2.391 -12.831 -2.885 165 H GLU 28 H GLU 28 -7.548 -10.607 -0.418 166 HA GLU 28 HA GLU 28 -7.374 -13.344 -1.521 167 1HB GLU 28 2HB GLU 28 -6.852 -12.332 0.963 168 2HB GLU 28 1HB GLU 28 -8.494 -12.938 1.214 169 1HG GLU 28 2HG GLU 28 -7.901 -15.142 0.585 170 2HG GLU 28 1HG GLU 28 -6.351 -14.626 -0.101 171 H ASP 29 H ASP 29 -9.773 -10.913 -1.153 172 HA ASP 29 HA ASP 29 -12.007 -12.814 -0.958 173 1HB ASP 29 2HB ASP 29 -11.718 -9.814 -1.168 174 2HB ASP 29 1HB ASP 29 -13.273 -10.553 -1.547 175 H GLY 30 H GLY 30 -9.976 -11.673 -3.437 176 1HA GLY 30 2HA GLY 30 -10.065 -11.962 -5.737 177 2HA GLY 30 1HA GLY 30 -11.376 -13.112 -5.466 178 H GLU 31 H GLU 31 -11.999 -10.053 -4.065 179 HA GLU 31 HA GLU 31 -14.048 -9.536 -6.108 180 1HB GLU 31 2HB GLU 31 -14.092 -9.321 -3.394 181 2HB GLU 31 1HB GLU 31 -13.646 -7.669 -3.776 182 1HG GLU 31 2HG GLU 31 -16.023 -7.727 -3.726 183 2HG GLU 31 1HG GLU 31 -15.604 -7.673 -5.443 184 H THR 32 H THR 32 -13.839 -6.550 -5.385 185 HA THR 32 HA THR 32 -11.280 -5.682 -6.339 186 HB THR 32 HB THR 32 -13.266 -4.836 -8.368 187 HG1 THR 32 1HG THR 32 -13.618 -6.793 -9.264 188 1HG2 THR 32 1HG2 THR 32 -10.914 -4.434 -8.594 189 2HG2 THR 32 2HG2 THR 32 -11.413 -5.537 -9.864 190 3HG2 THR 32 3HG2 THR 32 -10.529 -6.146 -8.462 191 H VAL 33 H VAL 33 -11.545 -3.230 -7.014 192 HA VAL 33 HA VAL 33 -13.322 -2.009 -4.931 193 HB VAL 33 HB VAL 33 -11.757 0.057 -5.536 194 1HG1 VAL 33 1HG1 VAL 33 -11.796 -0.939 -3.356 195 2HG1 VAL 33 2HG1 VAL 33 -10.120 -0.808 -3.874 196 3HG1 VAL 33 3HG1 VAL 33 -10.927 -2.367 -3.928 197 1HG2 VAL 33 1HG2 VAL 33 -10.725 -1.386 -7.470 198 2HG2 VAL 33 2HG2 VAL 33 -9.869 -2.213 -6.175 199 3HG2 VAL 33 3HG2 VAL 33 -9.655 -0.484 -6.410 200 H GLY 34 H GLY 34 -12.066 -0.093 -7.610 201 1HA GLY 34 2HA GLY 34 -14.812 0.617 -8.337 202 2HA GLY 34 1HA GLY 34 -13.330 1.391 -8.890 203 H SER 35 H SER 35 -13.815 -2.117 -9.021 204 HA SER 35 HA SER 35 -13.999 -3.543 -10.824 205 1HB SER 35 2HB SER 35 -14.775 -1.240 -12.628 206 2HB SER 35 1HB SER 35 -15.367 -2.901 -12.600 207 HG SER 35 HG SER 35 -16.796 -1.220 -11.689 208 H ASN 36 H ASN 36 -11.703 -1.311 -10.401 209 HA ASN 36 HA ASN 36 -10.419 -1.653 -13.064 210 1HB ASN 36 2HB ASN 36 -10.222 0.343 -10.833 211 2HB ASN 36 1HB ASN 36 -8.746 0.009 -11.746 212 1HD2 ASN 36 1HD2 ASN 36 -8.510 1.533 -13.335 213 2HD2 ASN 36 2HD2 ASN 36 -9.806 2.147 -14.300 214 H SER 37 H SER 37 -10.387 -2.885 -9.854 215 HA SER 37 HA SER 37 -9.012 -4.510 -8.898 216 1HB SER 37 2HB SER 37 -7.302 -4.689 -11.360 217 2HB SER 37 1HB SER 37 -7.911 -5.965 -10.305 218 HG SER 37 HG SER 37 -9.006 -5.949 -12.302 219 H TYR 38 H TYR 38 -7.906 -3.377 -7.368 220 HA TYR 38 HA TYR 38 -5.460 -1.953 -8.255 221 1HB TYR 38 2HB TYR 38 -7.585 -0.880 -6.910 222 2HB TYR 38 1HB TYR 38 -6.471 -1.235 -5.581 223 HD1 TYR 38 1HD TYR 38 -5.548 0.812 -5.049 224 HD2 TYR 38 2HD TYR 38 -5.786 -0.292 -9.151 225 HE1 TYR 38 1HE TYR 38 -4.139 2.802 -5.652 226 HE2 TYR 38 2HE TYR 38 -4.415 1.659 -9.775 227 HH TYR 38 HH TYR 38 -2.514 3.184 -8.201 228 HA PRO 39 HA PRO 39 -3.987 -4.244 -4.366 229 1HB PRO 39 2HB PRO 39 -5.381 -6.467 -3.603 230 2HB PRO 39 1HB PRO 39 -5.687 -4.843 -2.994 231 1HG PRO 39 2HG PRO 39 -7.304 -6.445 -4.921 232 2HG PRO 39 1HG PRO 39 -7.813 -5.135 -3.847 233 1HD PRO 39 2HD PRO 39 -7.294 -4.962 -6.621 234 2HD PRO 39 1HD PRO 39 -7.623 -3.605 -5.507 235 H HIS 40 H HIS 40 -2.256 -4.938 -5.678 236 HA HIS 40 HA HIS 40 -2.411 -7.812 -6.516 237 1HB HIS 40 2HB HIS 40 -0.619 -6.457 -8.337 238 2HB HIS 40 1HB HIS 40 -2.105 -7.341 -8.693 239 HD1 HIS 40 1HD HIS 40 -4.358 -5.883 -8.397 240 HD2 HIS 40 2HD HIS 40 -0.792 -3.767 -8.826 241 HE1 HIS 40 1HE HIS 40 -4.944 -3.608 -9.197 242 HE2 HIS 40 2HE HIS 40 -2.860 -2.197 -9.035 243 H LYS 41 H LYS 41 0.173 -8.126 -7.406 244 HA LYS 41 HA LYS 41 1.602 -8.062 -4.905 245 1HB LYS 41 2HB LYS 41 3.159 -9.408 -5.901 246 2HB LYS 41 1HB LYS 41 1.721 -9.815 -6.848 247 1HG LYS 41 2HG LYS 41 2.435 -8.091 -8.542 248 2HG LYS 41 1HG LYS 41 3.949 -7.905 -7.649 249 1HD LYS 41 2HD LYS 41 2.949 -10.356 -9.068 250 2HD LYS 41 1HD LYS 41 4.438 -9.444 -9.358 251 1HE LYS 41 2HE LYS 41 3.831 -11.010 -6.814 252 2HE LYS 41 1HE LYS 41 4.864 -11.529 -8.129 253 1HZ LYS 41 1HZ LYS 41 5.312 -9.152 -6.416 254 2HZ LYS 41 2HZ LYS 41 6.221 -9.506 -7.802 255 3HZ LYS 41 3HZ LYS 41 6.239 -10.560 -6.482 256 H TYR 42 H TYR 42 4.088 -7.332 -5.155 257 HA TYR 42 HA TYR 42 4.212 -4.736 -6.590 258 1HB TYR 42 2HB TYR 42 3.576 -4.182 -4.276 259 2HB TYR 42 1HB TYR 42 4.905 -5.154 -3.673 260 HD1 TYR 42 1HD TYR 42 5.126 -3.057 -6.704 261 HD2 TYR 42 2HD TYR 42 6.078 -3.386 -2.524 262 HE1 TYR 42 1HE TYR 42 6.665 -1.171 -6.915 263 HE2 TYR 42 2HE TYR 42 7.587 -1.429 -2.725 264 HH TYR 42 HH TYR 42 8.968 -0.364 -4.968 265 H ASN 43 H ASN 43 5.759 -5.473 -8.035 266 HA ASN 43 HA ASN 43 7.931 -7.216 -7.390 267 1HB ASN 43 2HB ASN 43 7.856 -5.092 -9.570 268 2HB ASN 43 1HB ASN 43 8.890 -6.528 -9.531 269 1HD2 ASN 43 1HD2 ASN 43 8.036 -8.412 -10.413 270 2HD2 ASN 43 2HD2 ASN 43 6.379 -8.589 -10.867 271 H ASN 44 H ASN 44 7.490 -3.838 -6.793 272 HA ASN 44 HA ASN 44 8.961 -2.176 -6.073 273 1HB ASN 44 2HB ASN 44 10.085 -2.831 -3.977 274 2HB ASN 44 1HB ASN 44 8.529 -3.611 -4.063 275 1HD2 ASN 44 1HD2 ASN 44 11.857 -4.270 -3.735 276 2HD2 ASN 44 2HD2 ASN 44 11.722 -5.972 -3.935 277 H TYR 45 H TYR 45 11.699 -2.909 -4.992 278 HA TYR 45 HA TYR 45 13.790 -3.688 -5.868 279 1HB TYR 45 2HB TYR 45 12.651 -2.958 -8.609 280 2HB TYR 45 1HB TYR 45 14.238 -3.642 -8.279 281 HD1 TYR 45 1HD TYR 45 12.225 -4.924 -10.108 282 HD2 TYR 45 2HD TYR 45 12.984 -5.426 -5.905 283 HE1 TYR 45 1HE TYR 45 11.334 -7.237 -10.209 284 HE2 TYR 45 2HE TYR 45 12.094 -7.710 -6.005 285 HH TYR 45 HH TYR 45 11.883 -9.527 -8.317 286 H GLU 46 H GLU 46 11.953 -0.811 -6.369 287 HA GLU 46 HA GLU 46 13.665 1.032 -7.382 288 1HB GLU 46 2HB GLU 46 11.386 1.113 -5.784 289 2HB GLU 46 1HB GLU 46 12.605 1.886 -4.793 290 1HG GLU 46 2HG GLU 46 12.234 2.650 -7.677 291 2HG GLU 46 1HG GLU 46 11.344 3.382 -6.348 292 H GLY 47 H GLY 47 14.024 -0.574 -4.257 293 1HA GLY 47 2HA GLY 47 16.708 -0.560 -3.948 294 2HA GLY 47 1HA GLY 47 16.342 1.113 -3.522 295 H PHE 48 H PHE 48 13.616 -0.141 -2.518 296 HA PHE 48 HA PHE 48 14.700 -0.771 0.192 297 1HB PHE 48 2HB PHE 48 12.031 -0.413 0.600 298 2HB PHE 48 1HB PHE 48 13.214 0.881 0.701 299 HD1 PHE 48 1HD PHE 48 13.577 2.427 -1.197 300 HD2 PHE 48 2HD PHE 48 10.457 -0.524 -1.244 301 HE1 PHE 48 1HE PHE 48 12.461 3.626 -3.056 302 HE2 PHE 48 2HE PHE 48 9.343 0.683 -3.091 303 HZ PHE 48 HZ PHE 48 10.360 2.749 -4.018 304 H ASP 49 H ASP 49 13.575 -2.499 1.374 305 HA ASP 49 HA ASP 49 12.066 -4.411 -0.336 306 1HB ASP 49 2HB ASP 49 14.772 -4.760 -0.026 307 2HB ASP 49 1HB ASP 49 14.174 -5.675 1.362 308 H PHE 50 H PHE 50 13.186 -3.492 2.921 309 HA PHE 50 HA PHE 50 11.997 -3.583 4.915 310 1HB PHE 50 2HB PHE 50 9.697 -5.025 3.592 311 2HB PHE 50 1HB PHE 50 9.700 -3.858 4.890 312 HD1 PHE 50 1HD PHE 50 8.904 -4.225 1.531 313 HD2 PHE 50 2HD PHE 50 10.846 -1.506 4.224 314 HE1 PHE 50 1HE PHE 50 8.512 -2.385 -0.066 315 HE2 PHE 50 2HE PHE 50 10.441 0.351 2.627 316 HZ PHE 50 HZ PHE 50 9.266 -0.089 0.491 317 H SER 51 H SER 51 10.858 -5.467 6.319 318 HA SER 51 HA SER 51 12.296 -8.019 5.639 319 1HB SER 51 2HB SER 51 11.779 -7.833 8.466 320 2HB SER 51 1HB SER 51 13.324 -7.848 7.618 321 HG SER 51 HG SER 51 11.759 -5.645 8.407 322 H VAL 52 H VAL 52 9.648 -7.480 4.747 323 HA VAL 52 HA VAL 52 7.942 -9.049 6.641 324 HB VAL 52 HB VAL 52 7.406 -7.146 4.384 325 1HG1 VAL 52 1HG1 VAL 52 5.616 -9.403 5.319 326 2HG1 VAL 52 2HG1 VAL 52 5.954 -8.869 3.668 327 3HG1 VAL 52 3HG1 VAL 52 4.932 -7.902 4.702 328 1HG2 VAL 52 1HG2 VAL 52 6.572 -7.463 7.258 329 2HG2 VAL 52 2HG2 VAL 52 5.669 -6.452 6.152 330 3HG2 VAL 52 3HG2 VAL 52 7.359 -6.092 6.474 331 H SER 53 H SER 53 8.082 -8.898 3.053 332 HA SER 53 HA SER 53 8.809 -11.728 2.910 333 1HB SER 53 2HB SER 53 6.082 -11.108 3.180 334 2HB SER 53 1HB SER 53 6.283 -11.394 1.452 335 HG SER 53 HG SER 53 5.876 -13.319 2.676 336 H SER 54 H SER 54 8.831 -12.469 0.583 337 HA SER 54 HA SER 54 10.105 -10.424 -1.054 338 1HB SER 54 2HB SER 54 9.330 -12.897 -2.479 339 2HB SER 54 1HB SER 54 10.903 -12.176 -2.198 340 HG SER 54 HG SER 54 11.102 -13.203 -0.305 341 HA PRO 55 HA PRO 55 6.228 -10.995 -3.803 342 1HB PRO 55 2HB PRO 55 4.173 -12.510 -2.810 343 2HB PRO 55 1HB PRO 55 5.509 -13.161 -3.752 344 1HG PRO 55 2HG PRO 55 5.021 -13.368 -0.807 345 2HG PRO 55 1HG PRO 55 5.878 -14.488 -1.881 346 1HD PRO 55 2HD PRO 55 7.031 -12.622 -0.141 347 2HD PRO 55 1HD PRO 55 7.865 -13.515 -1.410 348 H TYR 56 H TYR 56 6.242 -8.794 -2.937 349 HA TYR 56 HA TYR 56 4.454 -8.146 -0.711 350 1HB TYR 56 2HB TYR 56 6.110 -6.567 -2.688 351 2HB TYR 56 1HB TYR 56 4.966 -5.749 -1.656 352 HD1 TYR 56 1HD TYR 56 8.276 -6.720 -1.905 353 HD2 TYR 56 2HD TYR 56 5.049 -6.630 0.905 354 HE1 TYR 56 1HE TYR 56 9.900 -6.811 -0.030 355 HE2 TYR 56 2HE TYR 56 6.650 -6.731 2.760 356 HH TYR 56 HH TYR 56 9.756 -7.652 2.528 357 H TYR 57 H TYR 57 2.845 -6.251 -1.191 358 HA TYR 57 HA TYR 57 1.452 -6.638 -3.740 359 1HB TYR 57 2HB TYR 57 0.229 -7.053 -1.023 360 2HB TYR 57 1HB TYR 57 -0.755 -6.842 -2.483 361 HD1 TYR 57 1HD TYR 57 -0.823 -8.579 -4.194 362 HD2 TYR 57 2HD TYR 57 1.598 -9.030 -0.701 363 HE1 TYR 57 1HE TYR 57 -0.505 -10.956 -4.757 364 HE2 TYR 57 2HE TYR 57 1.889 -11.444 -1.221 365 HH TYR 57 HH TYR 57 0.243 -13.215 -2.830 366 H GLU 58 H GLU 58 0.813 -4.739 -4.565 367 HA GLU 58 HA GLU 58 1.237 -2.347 -2.891 368 1HB GLU 58 2HB GLU 58 0.964 -1.106 -4.989 369 2HB GLU 58 1HB GLU 58 2.128 -2.422 -5.173 370 1HG GLU 58 2HG GLU 58 0.937 -3.390 -6.767 371 2HG GLU 58 1HG GLU 58 -0.532 -3.420 -5.810 372 H TRP 59 H TRP 59 -0.317 -1.027 -2.152 373 HA TRP 59 HA TRP 59 -3.036 -1.033 -3.190 374 1HB TRP 59 2HB TRP 59 -3.361 -2.924 -1.762 375 2HB TRP 59 1HB TRP 59 -2.389 -2.205 -0.470 376 HD1 TRP 59 HD TRP 59 -3.568 -0.704 1.230 377 HE1 TRP 59 1HE TRP 59 -5.985 0.106 1.561 378 HE3 TRP 59 3HE TRP 59 -5.624 -2.256 -3.194 379 HZ2 TRP 59 2HZ TRP 59 -8.452 0.092 0.108 380 HZ3 TRP 59 3HZ TRP 59 -8.018 -1.842 -3.674 381 HH2 TRP 59 HH TRP 59 -9.435 -0.678 -2.021 382 HA PRO 60 HA PRO 60 -2.221 3.088 -1.695 383 1HB PRO 60 2HB PRO 60 -4.753 4.112 -2.008 384 2HB PRO 60 1HB PRO 60 -3.602 3.872 -3.320 385 1HG PRO 60 2HG PRO 60 -5.939 2.188 -2.540 386 2HG PRO 60 1HG PRO 60 -5.355 2.544 -4.135 387 1HD PRO 60 2HD PRO 60 -4.904 0.201 -2.757 388 2HD PRO 60 1HD PRO 60 -3.840 0.731 -4.019 389 H ILE 61 H ILE 61 -2.483 4.276 0.180 390 HA ILE 61 HA ILE 61 -4.093 2.958 2.327 391 HB ILE 61 HB ILE 61 -1.880 2.863 3.055 392 1HG1 ILE 61 2HG1 ILE 61 -1.693 4.370 4.889 393 2HG1 ILE 61 1HG1 ILE 61 -2.557 5.655 4.054 394 1HG2 ILE 61 1HG2 ILE 61 -1.547 5.503 1.615 395 2HG2 ILE 61 2HG2 ILE 61 -0.745 3.973 1.399 396 3HG2 ILE 61 3HG2 ILE 61 -0.347 4.931 2.778 397 1HD1 ILE 61 1HD1 ILE 61 -4.235 3.333 4.203 398 2HD1 ILE 61 2HD1 ILE 61 -4.485 4.918 4.895 399 3HD1 ILE 61 3HD1 ILE 61 -3.607 3.705 5.769 400 H LEU 62 H LEU 62 -5.766 4.152 3.177 401 HA LEU 62 HA LEU 62 -5.650 7.127 2.935 402 1HB LEU 62 2HB LEU 62 -8.293 5.823 2.504 403 2HB LEU 62 1HB LEU 62 -7.645 7.311 1.815 404 HG LEU 62 HG LEU 62 -6.713 4.521 1.029 405 1HD1 LEU 62 1HD1 LEU 62 -7.941 4.869 -1.013 406 2HD1 LEU 62 2HD1 LEU 62 -8.527 6.428 -0.448 407 3HD1 LEU 62 3HD1 LEU 62 -9.039 4.950 0.360 408 1HD2 LEU 62 1HD2 LEU 62 -6.240 6.719 -0.804 409 2HD2 LEU 62 2HD2 LEU 62 -5.104 5.568 -0.156 410 3HD2 LEU 62 3HD2 LEU 62 -5.472 7.054 0.729 411 H SER 63 H SER 63 -5.899 7.896 4.924 412 HA SER 63 HA SER 63 -7.678 6.462 6.841 413 1HB SER 63 2HB SER 63 -5.674 6.026 7.852 414 2HB SER 63 1HB SER 63 -4.882 7.415 7.171 415 HG SER 63 HG SER 63 -5.722 8.672 8.786 416 H SER 64 H SER 64 -9.221 8.077 5.864 417 HA SER 64 HA SER 64 -9.759 10.179 7.649 418 1HB SER 64 2HB SER 64 -7.656 10.868 5.760 419 2HB SER 64 1HB SER 64 -9.065 11.868 5.462 420 HG SER 64 HG SER 64 -7.678 12.739 7.073 421 H GLY 65 H GLY 65 -9.949 9.009 4.319 422 1HA GLY 65 2HA GLY 65 -12.681 10.220 4.069 423 2HA GLY 65 1HA GLY 65 -11.650 9.718 2.734 424 H ASP 66 H ASP 66 -11.164 7.349 2.584 425 HA ASP 66 HA ASP 66 -12.768 5.464 4.067 426 1HB ASP 66 2HB ASP 66 -14.291 6.786 2.224 427 2HB ASP 66 1HB ASP 66 -13.706 5.480 1.208 428 H VAL 67 H VAL 67 -13.015 3.630 1.695 429 HA VAL 67 HA VAL 67 -10.168 2.839 1.608 430 HB VAL 67 HB VAL 67 -12.596 1.301 0.623 431 1HG1 VAL 67 1HG1 VAL 67 -10.415 0.513 -0.192 432 2HG1 VAL 67 2HG1 VAL 67 -11.077 -0.624 0.976 433 3HG1 VAL 67 3HG1 VAL 67 -9.795 0.486 1.464 434 1HG2 VAL 67 1HG2 VAL 67 -12.946 1.823 2.974 435 2HG2 VAL 67 2HG2 VAL 67 -11.292 1.348 3.364 436 3HG2 VAL 67 3HG2 VAL 67 -12.459 0.139 2.828 437 H TYR 68 H TYR 68 -9.074 2.576 -0.383 438 HA TYR 68 HA TYR 68 -9.626 4.346 -2.474 439 1HB TYR 68 2HB TYR 68 -7.473 3.280 -2.333 440 2HB TYR 68 1HB TYR 68 -8.173 1.680 -2.586 441 HD1 TYR 68 1HD TYR 68 -7.576 4.985 -4.175 442 HD2 TYR 68 2HD TYR 68 -8.653 0.871 -4.775 443 HE1 TYR 68 1HE TYR 68 -7.369 5.291 -6.628 444 HE2 TYR 68 2HE TYR 68 -8.450 1.174 -7.227 445 HH TYR 68 HH TYR 68 -6.917 3.128 -8.743 446 H SER 69 H SER 69 -11.767 4.343 -3.221 447 HA SER 69 HA SER 69 -12.584 1.895 -4.747 448 1HB SER 69 2HB SER 69 -14.625 1.773 -3.730 449 2HB SER 69 1HB SER 69 -13.796 2.577 -2.392 450 HG SER 69 HG SER 69 -15.649 3.592 -4.194 451 H GLY 70 H GLY 70 -11.335 4.540 -5.505 452 1HA GLY 70 2HA GLY 70 -11.884 5.277 -7.853 453 2HA GLY 70 1HA GLY 70 -13.535 5.539 -7.300 454 H GLY 71 H GLY 71 -10.185 6.637 -6.866 455 1HA GLY 71 2HA GLY 71 -11.180 9.389 -6.454 456 2HA GLY 71 1HA GLY 71 -10.350 8.678 -5.065 457 H SER 72 H SER 72 -8.254 9.338 -5.003 458 HA SER 72 HA SER 72 -6.771 9.527 -7.599 459 1HB SER 72 2HB SER 72 -7.408 11.721 -6.324 460 2HB SER 72 1HB SER 72 -6.054 11.296 -5.275 461 HG SER 72 HG SER 72 -4.685 11.435 -6.986 462 HA PRO 73 HA PRO 73 -4.442 6.577 -5.005 463 1HB PRO 73 2HB PRO 73 -3.344 5.273 -7.149 464 2HB PRO 73 1HB PRO 73 -4.933 4.917 -6.501 465 1HG PRO 73 2HG PRO 73 -4.201 6.396 -8.998 466 2HG PRO 73 1HG PRO 73 -5.652 5.442 -8.649 467 1HD PRO 73 2HD PRO 73 -5.465 8.260 -8.601 468 2HD PRO 73 1HD PRO 73 -6.792 7.299 -7.921 469 H GLY 74 H GLY 74 -1.906 5.770 -5.997 470 1HA GLY 74 2HA GLY 74 0.295 6.535 -6.206 471 2HA GLY 74 1HA GLY 74 -0.349 7.985 -6.963 472 H ALA 75 H ALA 75 0.931 9.478 -5.763 473 HA ALA 75 HA ALA 75 1.595 10.702 -3.889 474 1HB ALA 75 1HB ALA 75 -1.318 10.084 -3.363 475 2HB ALA 75 2HB ALA 75 -0.597 11.571 -3.957 476 3HB ALA 75 3HB ALA 75 -0.377 11.106 -2.275 477 H ASP 76 H ASP 76 -0.616 8.909 -1.802 478 HA ASP 76 HA ASP 76 1.771 7.703 -0.490 479 1HB ASP 76 2HB ASP 76 -0.930 8.414 0.680 480 2HB ASP 76 1HB ASP 76 0.440 7.725 1.567 481 H ARG 77 H ARG 77 1.795 5.539 -0.098 482 HA ARG 77 HA ARG 77 -0.620 3.889 -0.394 483 1HB ARG 77 2HB ARG 77 1.703 3.298 -2.222 484 2HB ARG 77 1HB ARG 77 0.060 2.642 -2.271 485 1HG ARG 77 2HG ARG 77 -0.803 4.873 -2.878 486 2HG ARG 77 1HG ARG 77 0.851 5.509 -2.862 487 1HD ARG 77 2HD ARG 77 0.297 5.014 -5.115 488 2HD ARG 77 1HD ARG 77 1.471 3.827 -4.569 489 HE ARG 77 HE ARG 77 -1.114 3.785 -4.439 490 1HH1 ARG 77 1HH2 ARG 77 1.095 3.618 -6.648 491 2HH1 ARG 77 2HH2 ARG 77 0.565 2.348 -7.681 492 1HH2 ARG 77 1HH1 ARG 77 -1.846 1.139 -5.506 493 2HH2 ARG 77 2HH1 ARG 77 -1.097 0.959 -7.058 494 H VAL 78 H VAL 78 -0.126 1.615 0.314 495 HA VAL 78 HA VAL 78 2.523 1.377 1.688 496 HB VAL 78 HB VAL 78 0.777 2.092 3.327 497 1HG1 VAL 78 1HG1 VAL 78 -1.042 0.600 3.868 498 2HG1 VAL 78 2HG1 VAL 78 -0.488 -0.603 2.713 499 3HG1 VAL 78 3HG1 VAL 78 -1.125 0.940 2.145 500 1HG2 VAL 78 1HG2 VAL 78 1.682 -0.778 3.730 501 2HG2 VAL 78 2HG2 VAL 78 1.311 0.410 4.974 502 3HG2 VAL 78 3HG2 VAL 78 2.725 0.622 3.955 503 H VAL 79 H VAL 79 3.362 -0.726 1.776 504 HA VAL 79 HA VAL 79 1.888 -2.725 0.102 505 HB VAL 79 HB VAL 79 4.808 -2.147 0.567 506 1HG1 VAL 79 1HG1 VAL 79 4.456 -4.595 1.079 507 2HG1 VAL 79 2HG1 VAL 79 5.439 -4.279 -0.304 508 3HG1 VAL 79 3HG1 VAL 79 3.771 -4.774 -0.506 509 1HG2 VAL 79 1HG2 VAL 79 4.803 -1.728 -1.636 510 2HG2 VAL 79 2HG2 VAL 79 3.047 -1.666 -1.511 511 3HG2 VAL 79 3HG2 VAL 79 3.842 -3.138 -2.033 512 H PHE 80 H PHE 80 2.222 -4.995 0.710 513 HA PHE 80 HA PHE 80 2.818 -5.514 3.540 514 1HB PHE 80 2HB PHE 80 0.490 -6.452 3.880 515 2HB PHE 80 1HB PHE 80 0.571 -4.716 3.667 516 HD1 PHE 80 1HD PHE 80 0.286 -3.797 1.213 517 HD2 PHE 80 2HD PHE 80 -0.959 -7.693 2.520 518 HE1 PHE 80 1HE PHE 80 -1.220 -3.946 -0.713 519 HE2 PHE 80 2HE PHE 80 -2.502 -7.832 0.584 520 HZ PHE 80 HZ PHE 80 -2.635 -5.955 -1.032 521 H ASN 81 H ASN 81 1.746 -8.046 3.780 522 HA ASN 81 HA ASN 81 3.150 -9.485 1.561 523 1HB ASN 81 2HB ASN 81 4.171 -10.000 3.621 524 2HB ASN 81 1HB ASN 81 2.643 -10.186 4.466 525 1HD2 ASN 81 1HD2 ASN 81 2.953 -12.394 5.052 526 2HD2 ASN 81 2HD2 ASN 81 3.078 -13.648 3.869 527 H GLU 82 H GLU 82 0.762 -10.694 3.867 528 HA GLU 82 HA GLU 82 -1.368 -10.904 1.912 529 1HB GLU 82 2HB GLU 82 -1.335 -13.394 1.751 530 2HB GLU 82 1HB GLU 82 0.097 -12.667 1.044 531 1HG GLU 82 2HG GLU 82 1.322 -14.031 2.344 532 2HG GLU 82 1HG GLU 82 0.867 -12.979 3.682 533 H ASN 83 H ASN 83 -0.713 -10.214 4.817 534 HA ASN 83 HA ASN 83 -3.097 -11.528 5.942 535 1HB ASN 83 2HB ASN 83 -0.321 -12.140 6.734 536 2HB ASN 83 1HB ASN 83 -1.372 -11.735 8.098 537 1HD2 ASN 83 1HD2 ASN 83 -3.587 -12.940 7.986 538 2HD2 ASN 83 2HD2 ASN 83 -3.489 -14.591 7.487 539 H ASN 84 H ASN 84 -2.045 -8.777 5.110 540 HA ASN 84 HA ASN 84 -2.601 -6.668 5.847 541 1HB ASN 84 2HB ASN 84 -4.190 -6.507 7.419 542 2HB ASN 84 1HB ASN 84 -4.141 -8.244 7.590 543 1HD2 ASN 84 1HD2 ASN 84 -3.539 -5.247 9.159 544 2HD2 ASN 84 2HD2 ASN 84 -2.832 -5.903 10.591 545 H GLN 85 H GLN 85 -0.060 -8.480 6.603 546 HA GLN 85 HA GLN 85 1.161 -7.264 8.844 547 1HB GLN 85 2HB GLN 85 2.056 -8.830 6.478 548 2HB GLN 85 1HB GLN 85 3.307 -7.805 7.152 549 1HG GLN 85 2HG GLN 85 3.431 -9.919 8.251 550 2HG GLN 85 1HG GLN 85 2.809 -8.743 9.420 551 1HE2 GLN 85 1HE2 GLN 85 1.348 -9.931 10.662 552 2HE2 GLN 85 2HE2 GLN 85 0.078 -10.890 9.989 553 H LEU 86 H LEU 86 3.556 -6.057 7.924 554 HA LEU 86 HA LEU 86 2.608 -3.803 6.259 555 1HB LEU 86 2HB LEU 86 2.615 -3.537 8.969 556 2HB LEU 86 1HB LEU 86 4.291 -3.099 8.642 557 HG LEU 86 HG LEU 86 2.966 -1.072 8.554 558 1HD1 LEU 86 1HD1 LEU 86 3.464 -1.871 5.669 559 2HD1 LEU 86 2HD1 LEU 86 4.779 -1.506 6.795 560 3HD1 LEU 86 3HD1 LEU 86 3.580 -0.281 6.410 561 1HD2 LEU 86 1HD2 LEU 86 0.808 -2.360 8.046 562 2HD2 LEU 86 2HD2 LEU 86 1.309 -2.327 6.355 563 3HD2 LEU 86 3HD2 LEU 86 1.027 -0.824 7.217 564 H ALA 87 H ALA 87 3.954 -3.921 4.562 565 HA ALA 87 HA ALA 87 6.738 -4.815 4.855 566 1HB ALA 87 1HB ALA 87 6.858 -4.563 2.476 567 2HB ALA 87 2HB ALA 87 5.428 -3.548 2.461 568 3HB ALA 87 3HB ALA 87 5.267 -5.256 2.845 569 H GLY 88 H GLY 88 5.021 -1.802 4.123 570 1HA GLY 88 2HA GLY 88 6.626 -0.014 5.479 571 2HA GLY 88 1HA GLY 88 7.481 -0.232 3.947 572 H VAL 89 H VAL 89 5.858 2.091 5.099 573 HA VAL 89 HA VAL 89 3.562 2.274 3.271 574 HB VAL 89 HB VAL 89 4.822 4.240 5.147 575 1HG1 VAL 89 1HG1 VAL 89 2.500 4.519 3.255 576 2HG1 VAL 89 2HG1 VAL 89 3.856 5.619 3.498 577 3HG1 VAL 89 3HG1 VAL 89 2.608 5.493 4.720 578 1HG2 VAL 89 1HG2 VAL 89 2.313 2.583 5.191 579 2HG2 VAL 89 2HG2 VAL 89 2.593 3.848 6.331 580 3HG2 VAL 89 3HG2 VAL 89 3.659 2.445 6.284 581 H ILE 90 H ILE 90 4.336 2.266 1.185 582 HA ILE 90 HA ILE 90 6.538 4.012 0.358 583 HB ILE 90 HB ILE 90 5.833 3.317 -1.930 584 1HG1 ILE 90 2HG1 ILE 90 3.510 2.292 -0.443 585 2HG1 ILE 90 1HG1 ILE 90 3.663 2.632 -2.139 586 1HG2 ILE 90 1HG2 ILE 90 6.251 1.039 0.013 587 2HG2 ILE 90 2HG2 ILE 90 7.515 2.121 -0.553 588 3HG2 ILE 90 3HG2 ILE 90 6.716 1.063 -1.695 589 1HD1 ILE 90 1HD1 ILE 90 4.908 0.419 -2.340 590 2HD1 ILE 90 2HD1 ILE 90 3.220 0.332 -1.897 591 3HD1 ILE 90 3HD1 ILE 90 4.447 0.141 -0.657 592 H THR 91 H THR 91 5.886 5.460 -1.738 593 HA THR 91 HA THR 91 3.337 6.870 -1.129 594 HB THR 91 HB THR 91 5.242 8.056 -0.013 595 HG1 THR 91 1HG THR 91 4.732 10.127 -0.996 596 1HG2 THR 91 1HG2 THR 91 6.588 7.444 -2.333 597 2HG2 THR 91 2HG2 THR 91 7.161 8.466 -1.027 598 3HG2 THR 91 3HG2 THR 91 6.365 9.181 -2.412 599 H HIS 92 H HIS 92 4.668 8.865 -3.242 600 HA HIS 92 HA HIS 92 5.095 7.685 -5.674 601 1HB HIS 92 2HB HIS 92 2.383 7.081 -4.823 602 2HB HIS 92 1HB HIS 92 2.304 8.226 -6.123 603 HD1 HIS 92 1HD HIS 92 3.948 4.891 -5.446 604 HD2 HIS 92 2HD HIS 92 2.502 7.189 -8.595 605 HE1 HIS 92 1HE HIS 92 4.207 3.484 -7.525 606 HE2 HIS 92 2HE HIS 92 3.658 5.009 -9.466 607 H THR 93 H THR 93 5.734 10.042 -4.338 608 HA THR 93 HA THR 93 4.100 12.231 -5.341 609 HB THR 93 HB THR 93 6.929 12.396 -4.219 610 HG1 THR 93 1HG THR 93 5.813 11.424 -2.618 611 1HG2 THR 93 1HG2 THR 93 4.619 14.357 -4.380 612 2HG2 THR 93 2HG2 THR 93 6.137 14.445 -5.277 613 3HG2 THR 93 3HG2 THR 93 6.137 14.640 -3.529 614 H GLY 94 H GLY 94 4.075 12.201 -7.563 615 1HA GLY 94 2HA GLY 94 4.992 13.087 -9.578 616 2HA GLY 94 1HA GLY 94 6.624 12.923 -8.925 617 H ALA 95 H ALA 95 6.019 10.160 -7.912 618 HA ALA 95 HA ALA 95 6.654 8.103 -8.763 619 1HB ALA 95 1HB ALA 95 4.813 6.994 -9.635 620 2HB ALA 95 2HB ALA 95 4.248 8.409 -10.525 621 3HB ALA 95 3HB ALA 95 4.109 8.366 -8.774 622 H SER 96 H SER 96 5.995 7.045 -11.442 623 HA SER 96 HA SER 96 7.206 6.831 -13.427 624 1HB SER 96 2HB SER 96 6.048 9.536 -13.294 625 2HB SER 96 1HB SER 96 7.452 9.478 -14.355 626 HG SER 96 HG SER 96 6.475 7.984 -15.605 627 H GLY 97 H GLY 97 8.784 6.746 -11.282 628 1HA GLY 97 2HA GLY 97 11.361 6.909 -11.763 629 2HA GLY 97 1HA GLY 97 11.064 8.652 -11.629 630 H ASN 98 H ASN 98 8.826 8.095 -9.718 631 HA ASN 98 HA ASN 98 10.453 7.674 -7.285 632 1HB ASN 98 2HB ASN 98 7.662 8.858 -7.310 633 2HB ASN 98 1HB ASN 98 8.947 9.061 -6.155 634 1HD2 ASN 98 1HD2 ASN 98 10.934 10.241 -6.912 635 2HD2 ASN 98 2HD2 ASN 98 10.674 11.519 -8.045 636 H ASN 99 H ASN 99 7.651 6.564 -9.139 637 HA ASN 99 HA ASN 99 6.065 4.938 -8.660 638 1HB ASN 99 2HB ASN 99 7.121 2.735 -8.424 639 2HB ASN 99 1HB ASN 99 8.089 3.737 -9.502 640 1HD2 ASN 99 1HD2 ASN 99 8.272 1.819 -6.721 641 2HD2 ASN 99 2HD2 ASN 99 9.746 2.409 -6.121 642 H PHE 100 H PHE 100 6.659 2.842 -6.556 643 HA PHE 100 HA PHE 100 5.435 4.218 -4.329 644 1HB PHE 100 2HB PHE 100 6.658 1.461 -4.121 645 2HB PHE 100 1HB PHE 100 5.289 2.134 -3.340 646 HD1 PHE 100 1HD PHE 100 6.470 0.852 -6.551 647 HD2 PHE 100 2HD PHE 100 3.094 2.109 -4.225 648 HE1 PHE 100 1HE PHE 100 4.950 -0.128 -8.243 649 HE2 PHE 100 2HE PHE 100 1.591 1.111 -5.911 650 HZ PHE 100 HZ PHE 100 2.494 0.030 -7.934 651 H VAL 101 H VAL 101 7.208 5.799 -4.131 652 HA VAL 101 HA VAL 101 9.796 4.793 -3.112 653 HB VAL 101 HB VAL 101 10.029 7.472 -2.753 654 1HG1 VAL 101 1HG1 VAL 101 10.336 5.735 -5.180 655 2HG1 VAL 101 2HG1 VAL 101 11.542 6.516 -4.188 656 3HG1 VAL 101 3HG1 VAL 101 10.613 7.470 -5.319 657 1HG2 VAL 101 1HG2 VAL 101 8.134 7.358 -5.095 658 2HG2 VAL 101 2HG2 VAL 101 8.742 8.744 -4.233 659 3HG2 VAL 101 3HG2 VAL 101 7.583 7.702 -3.510 660 H GLU 102 H GLU 102 10.272 4.599 -0.959 661 HA GLU 102 HA GLU 102 8.391 4.503 1.052 662 1HB GLU 102 2HB GLU 102 10.389 5.283 2.620 663 2HB GLU 102 1HB GLU 102 10.440 3.740 1.776 664 1HG GLU 102 2HG GLU 102 12.120 4.338 0.412 665 2HG GLU 102 1HG GLU 102 11.480 5.964 0.131 666 H CYS 103 H CYS 103 7.632 5.973 2.703 667 HA CYS 103 HA CYS 103 7.246 8.681 1.702 668 1HB CYS 103 2HB CYS 103 6.229 7.031 3.978 669 2HB CYS 103 1HB CYS 103 6.298 8.771 4.295 670 H THR 104 H THR 104 9.288 9.667 1.646 671 HA THR 104 HA THR 104 10.334 10.456 4.330 672 HB THR 104 HB THR 104 11.717 8.543 3.558 673 HG1 THR 104 1HG THR 104 13.203 10.952 3.222 674 1HG2 THR 104 1HG2 THR 104 12.417 10.299 1.193 675 2HG2 THR 104 2HG2 THR 104 11.290 8.945 1.098 676 3HG2 THR 104 3HG2 THR 104 12.974 8.664 1.513 Start of MODEL 9 1 1H ALA 1 1HT ALA 1 -1.205 12.205 15.523 2 2H ALA 1 2HT ALA 1 0.478 12.559 15.544 3 3H ALA 1 3HT ALA 1 -0.387 12.433 17.016 4 HA ALA 1 HA ALA 1 0.937 10.485 16.649 5 1HB ALA 1 1HB ALA 1 -2.040 10.030 16.299 6 2HB ALA 1 2HB ALA 1 -1.202 10.279 17.830 7 3HB ALA 1 3HB ALA 1 -0.879 8.831 16.878 8 H CYS 2 H CYS 2 2.093 9.708 14.923 9 HA CYS 2 HA CYS 2 1.121 8.107 12.908 10 1HB CYS 2 2HB CYS 2 1.200 9.833 10.943 11 2HB CYS 2 1HB CYS 2 -0.273 9.767 11.916 12 H ASP 3 H ASP 3 2.989 7.113 12.276 13 HA ASP 3 HA ASP 3 5.477 8.776 12.209 14 1HB ASP 3 2HB ASP 3 5.146 6.540 13.625 15 2HB ASP 3 1HB ASP 3 5.533 5.761 12.086 16 H TYR 4 H TYR 4 3.156 7.786 10.102 17 HA TYR 4 HA TYR 4 5.154 7.375 7.919 18 1HB TYR 4 2HB TYR 4 2.413 6.176 8.408 19 2HB TYR 4 1HB TYR 4 3.071 6.264 6.769 20 HD1 TYR 4 1HD TYR 4 2.606 3.968 9.147 21 HD2 TYR 4 2HD TYR 4 5.888 5.760 7.026 22 HE1 TYR 4 1HE TYR 4 3.980 1.946 9.559 23 HE2 TYR 4 2HE TYR 4 7.263 3.749 7.445 24 HH TYR 4 HH TYR 4 6.351 0.965 8.041 25 H THR 5 H THR 5 5.364 9.369 7.025 26 HA THR 5 HA THR 5 2.869 10.572 5.921 27 HB THR 5 HB THR 5 4.921 12.122 7.559 28 HG1 THR 5 1HG THR 5 3.338 12.226 9.068 29 1HG2 THR 5 1HG2 THR 5 2.816 13.768 7.145 30 2HG2 THR 5 2HG2 THR 5 2.840 12.915 5.609 31 3HG2 THR 5 3HG2 THR 5 4.272 13.771 6.173 32 H CYS 6 H CYS 6 3.231 10.963 3.790 33 HA CYS 6 HA CYS 6 6.045 11.048 2.815 34 1HB CYS 6 2HB CYS 6 3.383 10.416 1.669 35 2HB CYS 6 1HB CYS 6 4.457 11.292 0.575 36 H GLY 7 H GLY 7 4.205 13.233 4.108 37 1HA GLY 7 2HA GLY 7 5.534 15.475 3.009 38 2HA GLY 7 1HA GLY 7 3.905 15.373 2.332 39 H SER 8 H SER 8 2.211 14.836 4.171 40 HA SER 8 HA SER 8 2.737 15.791 6.842 41 1HB SER 8 2HB SER 8 1.741 17.770 4.806 42 2HB SER 8 1HB SER 8 1.213 17.915 6.485 43 HG SER 8 HG SER 8 3.725 18.321 5.393 44 H ASN 9 H ASN 9 1.230 13.686 5.334 45 HA ASN 9 HA ASN 9 -1.584 14.266 5.777 46 1HB ASN 9 2HB ASN 9 0.033 11.969 4.699 47 2HB ASN 9 1HB ASN 9 -1.532 11.623 5.418 48 1HD2 ASN 9 1HD2 ASN 9 -0.041 12.758 2.581 49 2HD2 ASN 9 2HD2 ASN 9 -1.490 13.290 1.804 50 H CYS 10 H CYS 10 1.045 12.864 7.601 51 HA CYS 10 HA CYS 10 1.139 12.065 9.737 52 1HB CYS 10 2HB CYS 10 0.063 14.164 10.372 53 2HB CYS 10 1HB CYS 10 -1.527 13.530 9.942 54 H TYR 11 H TYR 11 0.740 9.942 8.454 55 HA TYR 11 HA TYR 11 -1.947 8.776 8.933 56 1HB TYR 11 2HB TYR 11 0.470 8.000 7.334 57 2HB TYR 11 1HB TYR 11 -0.585 6.705 7.879 58 HD1 TYR 11 1HD TYR 11 -2.866 6.515 7.116 59 HD2 TYR 11 2HD TYR 11 -0.332 9.717 5.787 60 HE1 TYR 11 1HE TYR 11 -4.456 7.047 5.311 61 HE2 TYR 11 2HE TYR 11 -1.944 10.215 3.959 62 HH TYR 11 HH TYR 11 -3.913 8.560 2.693 63 H SER 12 H SER 12 -2.384 7.386 10.582 64 HA SER 12 HA SER 12 -0.305 6.977 12.611 65 1HB SER 12 2HB SER 12 -2.471 7.487 13.459 66 2HB SER 12 1HB SER 12 -3.224 6.234 12.471 67 HG SER 12 HG SER 12 -2.776 5.710 14.767 68 H SER 13 H SER 13 0.893 5.147 12.848 69 HA SER 13 HA SER 13 0.956 3.122 10.876 70 1HB SER 13 2HB SER 13 2.127 1.771 12.804 71 2HB SER 13 1HB SER 13 2.873 3.269 12.235 72 HG SER 13 HG SER 13 2.573 3.006 14.600 73 H SER 14 H SER 14 -1.260 3.583 13.497 74 HA SER 14 HA SER 14 -2.078 0.770 13.602 75 1HB SER 14 2HB SER 14 -2.403 3.092 15.258 76 2HB SER 14 1HB SER 14 -4.013 2.513 14.824 77 HG SER 14 HG SER 14 -1.948 1.170 16.185 78 H ASP 15 H ASP 15 -3.141 3.786 12.081 79 HA ASP 15 HA ASP 15 -5.664 2.642 11.197 80 1HB ASP 15 2HB ASP 15 -4.768 5.212 11.432 81 2HB ASP 15 1HB ASP 15 -4.534 4.974 9.699 82 H VAL 16 H VAL 16 -2.422 3.118 9.873 83 HA VAL 16 HA VAL 16 -2.881 2.454 7.186 84 HB VAL 16 HB VAL 16 -0.529 1.491 8.860 85 1HG1 VAL 16 1HG1 VAL 16 -0.833 2.116 5.900 86 2HG1 VAL 16 2HG1 VAL 16 -0.669 0.506 6.599 87 3HG1 VAL 16 3HG1 VAL 16 0.666 1.647 6.702 88 1HG2 VAL 16 1HG2 VAL 16 0.270 3.787 7.546 89 2HG2 VAL 16 2HG2 VAL 16 -0.197 3.687 9.226 90 3HG2 VAL 16 3HG2 VAL 16 -1.375 4.197 8.029 91 H SER 17 H SER 17 -2.608 0.370 10.039 92 HA SER 17 HA SER 17 -2.579 -2.142 8.716 93 1HB SER 17 2HB SER 17 -2.178 -2.459 10.954 94 2HB SER 17 1HB SER 17 -3.243 -1.151 11.441 95 HG SER 17 HG SER 17 -4.904 -2.480 11.500 96 H THR 18 H THR 18 -5.309 -0.111 9.827 97 HA THR 18 HA THR 18 -7.372 -1.940 9.111 98 HB THR 18 HB THR 18 -8.420 0.641 8.583 99 HG1 THR 18 1HG THR 18 -7.410 1.991 9.966 100 1HG2 THR 18 1HG2 THR 18 -9.361 0.442 10.826 101 2HG2 THR 18 2HG2 THR 18 -8.204 -0.827 11.224 102 3HG2 THR 18 3HG2 THR 18 -9.434 -1.108 9.988 103 H ALA 19 H ALA 19 -5.821 0.669 7.241 104 HA ALA 19 HA ALA 19 -7.285 0.087 4.806 105 1HB ALA 19 1HB ALA 19 -4.602 1.468 5.150 106 2HB ALA 19 2HB ALA 19 -6.178 2.256 5.272 107 3HB ALA 19 3HB ALA 19 -5.659 1.561 3.738 108 H GLN 20 H GLN 20 -4.671 -1.417 6.447 109 HA GLN 20 HA GLN 20 -3.604 -2.697 4.037 110 1HB GLN 20 2HB GLN 20 -2.591 -2.087 6.660 111 2HB GLN 20 1HB GLN 20 -2.581 -3.829 6.512 112 1HG GLN 20 2HG GLN 20 -0.519 -2.495 5.726 113 2HG GLN 20 1HG GLN 20 -1.117 -3.792 4.717 114 1HE2 GLN 20 1HE2 GLN 20 -2.551 -0.541 5.036 115 2HE2 GLN 20 2HE2 GLN 20 -2.420 -0.204 3.360 116 H ALA 21 H ALA 21 -6.096 -3.238 6.266 117 HA ALA 21 HA ALA 21 -6.024 -6.177 5.856 118 1HB ALA 21 1HB ALA 21 -7.953 -6.207 7.377 119 2HB ALA 21 2HB ALA 21 -7.946 -4.441 7.431 120 3HB ALA 21 3HB ALA 21 -6.590 -5.351 8.095 121 H ALA 22 H ALA 22 -7.481 -3.269 4.626 122 HA ALA 22 HA ALA 22 -9.800 -4.570 3.426 123 1HB ALA 22 1HB ALA 22 -9.814 -2.166 3.969 124 2HB ALA 22 2HB ALA 22 -10.068 -2.422 2.247 125 3HB ALA 22 3HB ALA 22 -8.493 -1.886 2.835 126 H GLY 23 H GLY 23 -6.868 -3.018 2.015 127 1HA GLY 23 2HA GLY 23 -7.149 -4.113 -0.583 128 2HA GLY 23 1HA GLY 23 -5.617 -3.654 0.150 129 H TYR 24 H TYR 24 -6.081 -5.529 2.421 130 HA TYR 24 HA TYR 24 -4.760 -7.797 1.248 131 1HB TYR 24 2HB TYR 24 -4.245 -7.126 3.535 132 2HB TYR 24 1HB TYR 24 -5.936 -7.337 4.018 133 HD1 TYR 24 1HD TYR 24 -3.849 -9.504 1.799 134 HD2 TYR 24 2HD TYR 24 -5.795 -9.085 5.610 135 HE1 TYR 24 1HE TYR 24 -3.391 -11.861 2.290 136 HE2 TYR 24 2HE TYR 24 -5.311 -11.466 6.110 137 HH TYR 24 HH TYR 24 -4.760 -13.698 4.192 138 H GLN 25 H GLN 25 -7.989 -7.253 2.655 139 HA GLN 25 HA GLN 25 -8.914 -9.934 2.179 140 1HB GLN 25 2HB GLN 25 -9.986 -7.479 3.260 141 2HB GLN 25 1HB GLN 25 -11.123 -8.068 2.054 142 1HG GLN 25 2HG GLN 25 -11.748 -9.825 3.279 143 2HG GLN 25 1HG GLN 25 -10.101 -10.219 3.789 144 1HE2 GLN 25 1HE2 GLN 25 -12.970 -8.363 4.619 145 2HE2 GLN 25 2HE2 GLN 25 -12.408 -7.917 6.190 146 H LEU 26 H LEU 26 -9.831 -6.920 0.455 147 HA LEU 26 HA LEU 26 -11.116 -8.053 -1.711 148 1HB LEU 26 2HB LEU 26 -10.127 -5.514 -1.117 149 2HB LEU 26 1HB LEU 26 -9.201 -5.966 -2.538 150 HG LEU 26 HG LEU 26 -11.356 -6.548 -3.710 151 1HD1 LEU 26 1HD1 LEU 26 -12.764 -6.960 -1.759 152 2HD1 LEU 26 2HD1 LEU 26 -13.428 -5.616 -2.667 153 3HD1 LEU 26 3HD1 LEU 26 -12.516 -5.312 -1.190 154 1HD2 LEU 26 1HD2 LEU 26 -10.592 -3.824 -2.758 155 2HD2 LEU 26 2HD2 LEU 26 -12.118 -3.978 -3.564 156 3HD2 LEU 26 3HD2 LEU 26 -10.632 -4.466 -4.382 157 H HIS 27 H HIS 27 -7.647 -7.961 -1.102 158 HA HIS 27 HA HIS 27 -6.804 -8.863 -3.673 159 1HB HIS 27 2HB HIS 27 -5.089 -8.042 -2.234 160 2HB HIS 27 1HB HIS 27 -5.593 -9.074 -0.908 161 HD1 HIS 27 1HD HIS 27 -5.167 -10.354 -4.426 162 HD2 HIS 27 2HD HIS 27 -3.195 -10.528 -0.752 163 HE1 HIS 27 1HE HIS 27 -3.379 -12.117 -4.659 164 HE2 HIS 27 2HE HIS 27 -2.449 -12.447 -2.341 165 H GLU 28 H GLU 28 -7.168 -10.747 -0.647 166 HA GLU 28 HA GLU 28 -7.179 -13.242 -2.200 167 1HB GLU 28 2HB GLU 28 -6.486 -12.536 0.436 168 2HB GLU 28 1HB GLU 28 -7.946 -13.510 0.631 169 1HG GLU 28 2HG GLU 28 -5.550 -14.340 -1.041 170 2HG GLU 28 1HG GLU 28 -5.839 -14.844 0.632 171 H ASP 29 H ASP 29 -9.469 -11.024 -2.019 172 HA ASP 29 HA ASP 29 -11.694 -12.854 -1.329 173 1HB ASP 29 2HB ASP 29 -11.298 -9.940 -1.289 174 2HB ASP 29 1HB ASP 29 -12.829 -10.404 -1.976 175 H GLY 30 H GLY 30 -10.103 -11.309 -4.035 176 1HA GLY 30 2HA GLY 30 -10.384 -11.929 -6.294 177 2HA GLY 30 1HA GLY 30 -11.853 -12.810 -5.879 178 H GLU 31 H GLU 31 -12.563 -10.163 -4.292 179 HA GLU 31 HA GLU 31 -14.207 -9.084 -6.385 180 1HB GLU 31 2HB GLU 31 -14.427 -9.106 -3.707 181 2HB GLU 31 1HB GLU 31 -13.688 -7.528 -3.855 182 1HG GLU 31 2HG GLU 31 -15.645 -6.644 -4.449 183 2HG GLU 31 1HG GLU 31 -15.706 -7.675 -5.883 184 H THR 32 H THR 32 -13.774 -6.217 -5.474 185 HA THR 32 HA THR 32 -11.091 -5.493 -6.100 186 HB THR 32 HB THR 32 -12.637 -4.377 -8.322 187 HG1 THR 32 1HG THR 32 -13.257 -6.214 -9.318 188 1HG2 THR 32 1HG2 THR 32 -10.048 -4.970 -7.819 189 2HG2 THR 32 2HG2 THR 32 -10.728 -4.756 -9.439 190 3HG2 THR 32 3HG2 THR 32 -10.499 -6.369 -8.785 191 H VAL 33 H VAL 33 -11.293 -2.962 -6.920 192 HA VAL 33 HA VAL 33 -12.877 -1.705 -4.742 193 HB VAL 33 HB VAL 33 -11.603 0.362 -5.442 194 1HG1 VAL 33 1HG1 VAL 33 -9.465 -0.428 -4.578 195 2HG1 VAL 33 2HG1 VAL 33 -9.935 -2.101 -4.894 196 3HG1 VAL 33 3HG1 VAL 33 -10.793 -1.157 -3.676 197 1HG2 VAL 33 1HG2 VAL 33 -10.148 0.353 -7.221 198 2HG2 VAL 33 2HG2 VAL 33 -11.284 -0.823 -7.867 199 3HG2 VAL 33 3HG2 VAL 33 -9.819 -1.361 -7.084 200 H GLY 34 H GLY 34 -12.694 0.742 -6.919 201 1HA GLY 34 2HA GLY 34 -15.249 0.002 -8.287 202 2HA GLY 34 1HA GLY 34 -15.025 1.548 -7.477 203 H SER 35 H SER 35 -12.040 0.968 -8.692 204 HA SER 35 HA SER 35 -12.686 2.390 -11.231 205 1HB SER 35 2HB SER 35 -10.521 2.657 -9.205 206 2HB SER 35 1HB SER 35 -10.011 2.805 -10.890 207 HG SER 35 HG SER 35 -11.327 4.503 -11.181 208 H ASN 36 H ASN 36 -9.568 0.912 -10.541 209 HA ASN 36 HA ASN 36 -10.202 -1.271 -12.478 210 1HB ASN 36 2HB ASN 36 -8.169 0.904 -12.647 211 2HB ASN 36 1HB ASN 36 -7.555 -0.711 -13.003 212 1HD2 ASN 36 1HD2 ASN 36 -9.700 1.811 -14.131 213 2HD2 ASN 36 2HD2 ASN 36 -10.048 1.045 -15.639 214 H SER 37 H SER 37 -10.420 -1.980 -9.965 215 HA SER 37 HA SER 37 -9.534 -3.327 -8.306 216 1HB SER 37 2HB SER 37 -8.880 -4.594 -10.517 217 2HB SER 37 1HB SER 37 -7.248 -4.023 -10.166 218 HG SER 37 HG SER 37 -7.518 -6.017 -9.194 219 H TYR 38 H TYR 38 -6.768 -3.938 -7.760 220 HA TYR 38 HA TYR 38 -5.003 -1.847 -7.786 221 1HB TYR 38 2HB TYR 38 -7.276 -1.016 -6.243 222 2HB TYR 38 1HB TYR 38 -5.957 -1.274 -5.124 223 HD1 TYR 38 1HD TYR 38 -3.612 -0.420 -5.816 224 HD2 TYR 38 2HD TYR 38 -7.310 1.026 -7.453 225 HE1 TYR 38 1HE TYR 38 -2.485 1.634 -6.572 226 HE2 TYR 38 2HE TYR 38 -6.181 3.101 -8.183 227 HH TYR 38 HH TYR 38 -4.121 4.420 -7.475 228 HA PRO 39 HA PRO 39 -4.039 -4.442 -3.890 229 1HB PRO 39 2HB PRO 39 -5.739 -6.502 -3.317 230 2HB PRO 39 1HB PRO 39 -5.860 -4.888 -2.635 231 1HG PRO 39 2HG PRO 39 -7.548 -6.167 -4.743 232 2HG PRO 39 1HG PRO 39 -7.962 -4.884 -3.596 233 1HD PRO 39 2HD PRO 39 -7.340 -4.554 -6.292 234 2HD PRO 39 1HD PRO 39 -7.442 -3.252 -5.101 235 H HIS 40 H HIS 40 -2.347 -5.221 -5.109 236 HA HIS 40 HA HIS 40 -2.576 -8.056 -5.962 237 1HB HIS 40 2HB HIS 40 -0.869 -6.727 -7.886 238 2HB HIS 40 1HB HIS 40 -2.344 -7.656 -8.170 239 HD1 HIS 40 1HD HIS 40 -4.577 -6.372 -8.309 240 HD2 HIS 40 2HD HIS 40 -1.233 -3.926 -7.993 241 HE1 HIS 40 1HE HIS 40 -5.287 -4.077 -9.032 242 HE2 HIS 40 2HE HIS 40 -3.240 -2.632 -9.005 243 H LYS 41 H LYS 41 -0.191 -8.807 -6.548 244 HA LYS 41 HA LYS 41 1.361 -8.237 -4.190 245 1HB LYS 41 2HB LYS 41 2.874 -9.886 -4.936 246 2HB LYS 41 1HB LYS 41 1.298 -10.433 -5.524 247 1HG LYS 41 2HG LYS 41 1.741 -9.521 -7.732 248 2HG LYS 41 1HG LYS 41 3.263 -8.826 -7.185 249 1HD LYS 41 2HD LYS 41 4.155 -10.715 -8.004 250 2HD LYS 41 1HD LYS 41 3.715 -11.367 -6.422 251 1HE LYS 41 2HE LYS 41 2.414 -12.864 -7.446 252 2HE LYS 41 1HE LYS 41 1.371 -11.567 -8.031 253 1HZ LYS 41 1HZ LYS 41 3.809 -12.602 -9.393 254 2HZ LYS 41 2HZ LYS 41 2.847 -11.324 -9.954 255 3HZ LYS 41 3HZ LYS 41 2.207 -12.885 -9.856 256 H TYR 42 H TYR 42 3.574 -7.372 -4.167 257 HA TYR 42 HA TYR 42 4.332 -5.699 -6.499 258 1HB TYR 42 2HB TYR 42 2.970 -4.199 -5.115 259 2HB TYR 42 1HB TYR 42 3.932 -4.593 -3.684 260 HD1 TYR 42 1HD TYR 42 5.863 -3.346 -3.194 261 HD2 TYR 42 2HD TYR 42 4.238 -3.261 -7.170 262 HE1 TYR 42 1HE TYR 42 7.506 -1.598 -3.826 263 HE2 TYR 42 2HE TYR 42 5.882 -1.520 -7.804 264 HH TYR 42 HH TYR 42 8.488 -0.884 -6.601 265 H ASN 43 H ASN 43 6.126 -7.134 -6.679 266 HA ASN 43 HA ASN 43 7.822 -7.977 -4.604 267 1HB ASN 43 2HB ASN 43 8.619 -7.231 -7.447 268 2HB ASN 43 1HB ASN 43 9.569 -8.239 -6.344 269 1HD2 ASN 43 1HD2 ASN 43 8.372 -10.250 -5.541 270 2HD2 ASN 43 2HD2 ASN 43 7.299 -11.004 -6.664 271 H ASN 44 H ASN 44 9.291 -5.609 -6.814 272 HA ASN 44 HA ASN 44 9.443 -3.327 -5.326 273 1HB ASN 44 2HB ASN 44 11.747 -3.773 -4.115 274 2HB ASN 44 1HB ASN 44 10.266 -4.312 -3.337 275 1HD2 ASN 44 1HD2 ASN 44 12.045 -5.824 -2.348 276 2HD2 ASN 44 2HD2 ASN 44 12.294 -7.309 -3.193 277 H TYR 45 H TYR 45 10.667 -1.880 -6.533 278 HA TYR 45 HA TYR 45 12.825 -3.018 -8.294 279 1HB TYR 45 2HB TYR 45 10.557 -1.129 -9.012 280 2HB TYR 45 1HB TYR 45 12.019 -1.262 -10.002 281 HD1 TYR 45 1HD TYR 45 8.872 -2.806 -9.097 282 HD2 TYR 45 2HD TYR 45 12.667 -3.470 -10.996 283 HE1 TYR 45 1HE TYR 45 7.959 -4.823 -10.211 284 HE2 TYR 45 2HE TYR 45 11.755 -5.489 -12.114 285 HH TYR 45 HH TYR 45 9.448 -7.181 -11.306 286 H GLU 46 H GLU 46 12.134 -0.906 -5.831 287 HA GLU 46 HA GLU 46 14.076 1.146 -6.733 288 1HB GLU 46 2HB GLU 46 12.411 2.377 -5.838 289 2HB GLU 46 1HB GLU 46 11.720 1.028 -4.941 290 1HG GLU 46 2HG GLU 46 13.029 1.372 -3.079 291 2HG GLU 46 1HG GLU 46 14.307 2.201 -3.972 292 H GLY 47 H GLY 47 13.726 -1.643 -4.705 293 1HA GLY 47 2HA GLY 47 15.710 -2.720 -3.826 294 2HA GLY 47 1HA GLY 47 16.442 -1.138 -3.549 295 H PHE 48 H PHE 48 13.061 -1.644 -2.865 296 HA PHE 48 HA PHE 48 13.315 -0.773 -0.160 297 1HB PHE 48 2HB PHE 48 11.152 -2.081 -1.822 298 2HB PHE 48 1HB PHE 48 10.920 -1.920 -0.111 299 HD1 PHE 48 1HD PHE 48 11.754 0.561 0.794 300 HD2 PHE 48 2HD PHE 48 10.205 -0.398 -3.100 301 HE1 PHE 48 1HE PHE 48 11.050 2.890 0.470 302 HE2 PHE 48 2HE PHE 48 9.523 1.962 -3.394 303 HZ PHE 48 HZ PHE 48 9.941 3.563 -1.602 304 H ASP 49 H ASP 49 14.947 -2.159 0.756 305 HA ASP 49 HA ASP 49 14.895 -4.971 0.667 306 1HB ASP 49 2HB ASP 49 16.788 -3.733 1.631 307 2HB ASP 49 1HB ASP 49 15.772 -3.185 2.970 308 H PHE 50 H PHE 50 13.009 -2.719 2.633 309 HA PHE 50 HA PHE 50 11.334 -3.123 4.222 310 1HB PHE 50 2HB PHE 50 10.867 -5.124 2.004 311 2HB PHE 50 1HB PHE 50 9.730 -5.018 3.342 312 HD1 PHE 50 1HD PHE 50 11.168 -1.805 2.814 313 HD2 PHE 50 2HD PHE 50 8.266 -4.510 1.202 314 HE1 PHE 50 1HE PHE 50 10.015 0.055 1.748 315 HE2 PHE 50 2HE PHE 50 7.111 -2.636 0.109 316 HZ PHE 50 HZ PHE 50 8.013 -0.347 0.365 317 H SER 51 H SER 51 10.122 -5.320 5.251 318 HA SER 51 HA SER 51 12.206 -7.280 5.994 319 1HB SER 51 2HB SER 51 11.405 -5.009 7.690 320 2HB SER 51 1HB SER 51 11.190 -6.555 8.505 321 HG SER 51 HG SER 51 13.541 -5.413 7.475 322 H VAL 52 H VAL 52 9.606 -7.368 4.587 323 HA VAL 52 HA VAL 52 8.043 -9.002 6.564 324 HB VAL 52 HB VAL 52 7.111 -7.560 4.065 325 1HG1 VAL 52 1HG1 VAL 52 5.888 -9.688 4.435 326 2HG1 VAL 52 2HG1 VAL 52 4.876 -8.298 4.779 327 3HG1 VAL 52 3HG1 VAL 52 5.596 -9.205 6.099 328 1HG2 VAL 52 1HG2 VAL 52 5.814 -6.226 5.682 329 2HG2 VAL 52 2HG2 VAL 52 7.548 -6.036 5.908 330 3HG2 VAL 52 3HG2 VAL 52 6.622 -7.063 7.006 331 H SER 53 H SER 53 7.716 -9.032 3.024 332 HA SER 53 HA SER 53 9.128 -11.600 2.829 333 1HB SER 53 2HB SER 53 6.386 -11.598 3.415 334 2HB SER 53 1HB SER 53 6.434 -11.871 1.680 335 HG SER 53 HG SER 53 7.634 -13.688 1.999 336 H SER 54 H SER 54 9.148 -12.366 0.531 337 HA SER 54 HA SER 54 9.855 -10.244 -1.241 338 1HB SER 54 2HB SER 54 9.000 -12.733 -2.606 339 2HB SER 54 1HB SER 54 10.547 -11.909 -2.581 340 HG SER 54 HG SER 54 11.139 -12.952 -0.777 341 HA PRO 55 HA PRO 55 5.639 -10.979 -3.380 342 1HB PRO 55 2HB PRO 55 3.837 -12.612 -2.122 343 2HB PRO 55 1HB PRO 55 5.047 -13.175 -3.268 344 1HG PRO 55 2HG PRO 55 5.027 -13.447 -0.288 345 2HG PRO 55 1HG PRO 55 5.755 -14.511 -1.505 346 1HD PRO 55 2HD PRO 55 7.100 -12.636 0.057 347 2HD PRO 55 1HD PRO 55 7.741 -13.443 -1.350 348 H TYR 56 H TYR 56 5.720 -8.777 -2.418 349 HA TYR 56 HA TYR 56 4.160 -8.260 -0.002 350 1HB TYR 56 2HB TYR 56 5.138 -6.349 -2.148 351 2HB TYR 56 1HB TYR 56 4.509 -5.868 -0.584 352 HD1 TYR 56 1HD TYR 56 5.665 -6.641 1.514 353 HD2 TYR 56 2HD TYR 56 7.423 -6.955 -2.373 354 HE1 TYR 56 1HE TYR 56 7.918 -6.795 2.540 355 HE2 TYR 56 2HE TYR 56 9.673 -7.119 -1.361 356 HH TYR 56 HH TYR 56 10.874 -6.751 0.630 357 H TYR 57 H TYR 57 2.613 -6.060 -0.750 358 HA TYR 57 HA TYR 57 0.954 -6.747 -3.027 359 1HB TYR 57 2HB TYR 57 0.007 -7.021 -0.187 360 2HB TYR 57 1HB TYR 57 -1.136 -6.792 -1.526 361 HD1 TYR 57 1HD TYR 57 -1.081 -8.425 -3.453 362 HD2 TYR 57 2HD TYR 57 0.885 -9.148 0.262 363 HE1 TYR 57 1HE TYR 57 -0.945 -10.827 -4.022 364 HE2 TYR 57 2HE TYR 57 1.001 -11.575 -0.261 365 HH TYR 57 HH TYR 57 -0.476 -13.206 -1.887 366 H GLU 58 H GLU 58 0.728 -4.785 -3.967 367 HA GLU 58 HA GLU 58 0.871 -2.332 -2.358 368 1HB GLU 58 2HB GLU 58 0.858 -1.167 -4.466 369 2HB GLU 58 1HB GLU 58 1.907 -2.574 -4.638 370 1HG GLU 58 2HG GLU 58 -0.258 -3.778 -5.509 371 2HG GLU 58 1HG GLU 58 -0.860 -2.128 -5.727 372 H TRP 59 H TRP 59 -0.798 -1.008 -1.819 373 HA TRP 59 HA TRP 59 -3.410 -1.210 -3.090 374 1HB TRP 59 2HB TRP 59 -3.844 -3.026 -1.648 375 2HB TRP 59 1HB TRP 59 -2.892 -2.325 -0.340 376 HD1 TRP 59 HD TRP 59 -4.013 -0.651 1.265 377 HE1 TRP 59 1HE TRP 59 -6.458 0.027 1.676 378 HE3 TRP 59 3HE TRP 59 -6.179 -2.642 -2.917 379 HZ2 TRP 59 2HZ TRP 59 -9.007 -0.258 0.389 380 HZ3 TRP 59 3HZ TRP 59 -8.606 -2.432 -3.278 381 HH2 TRP 59 HH TRP 59 -10.030 -1.237 -1.658 382 HA PRO 60 HA PRO 60 -3.109 3.019 -1.777 383 1HB PRO 60 2HB PRO 60 -5.736 3.745 -2.149 384 2HB PRO 60 1HB PRO 60 -4.555 3.571 -3.432 385 1HG PRO 60 2HG PRO 60 -6.713 1.669 -2.624 386 2HG PRO 60 1HG PRO 60 -6.102 1.994 -4.244 387 1HD PRO 60 2HD PRO 60 -5.451 -0.195 -2.723 388 2HD PRO 60 1HD PRO 60 -4.451 0.407 -3.983 389 H ILE 61 H ILE 61 -3.106 3.912 0.189 390 HA ILE 61 HA ILE 61 -5.021 2.893 2.261 391 HB ILE 61 HB ILE 61 -3.029 2.342 3.243 392 1HG1 ILE 61 2HG1 ILE 61 -2.171 4.095 4.726 393 2HG1 ILE 61 1HG1 ILE 61 -2.951 5.355 3.773 394 1HG2 ILE 61 1HG2 ILE 61 -1.742 4.561 1.624 395 2HG2 ILE 61 2HG2 ILE 61 -1.650 2.820 1.323 396 3HG2 ILE 61 3HG2 ILE 61 -0.877 3.510 2.745 397 1HD1 ILE 61 1HD1 ILE 61 -5.080 3.720 4.343 398 2HD1 ILE 61 2HD1 ILE 61 -4.588 5.070 5.302 399 3HD1 ILE 61 3HD1 ILE 61 -4.067 3.476 5.733 400 H LEU 62 H LEU 62 -6.427 4.405 3.086 401 HA LEU 62 HA LEU 62 -5.806 7.293 2.544 402 1HB LEU 62 2HB LEU 62 -8.640 6.430 2.927 403 2HB LEU 62 1HB LEU 62 -7.949 7.661 1.859 404 HG LEU 62 HG LEU 62 -7.915 4.654 1.425 405 1HD1 LEU 62 1HD1 LEU 62 -10.017 5.896 0.882 406 2HD1 LEU 62 2HD1 LEU 62 -9.235 5.174 -0.511 407 3HD1 LEU 62 3HD1 LEU 62 -9.088 6.906 -0.229 408 1HD2 LEU 62 1HD2 LEU 62 -6.053 6.704 0.487 409 2HD2 LEU 62 2HD2 LEU 62 -6.962 6.033 -0.840 410 3HD2 LEU 62 3HD2 LEU 62 -6.061 4.964 0.195 411 H SER 63 H SER 63 -7.006 8.761 4.102 412 HA SER 63 HA SER 63 -7.072 7.516 6.838 413 1HB SER 63 2HB SER 63 -5.146 8.934 6.785 414 2HB SER 63 1HB SER 63 -6.006 10.204 5.917 415 HG SER 63 HG SER 63 -5.758 10.530 8.237 416 H SER 64 H SER 64 -9.209 7.997 4.779 417 HA SER 64 HA SER 64 -11.138 9.232 6.592 418 1HB SER 64 2HB SER 64 -9.973 10.708 4.283 419 2HB SER 64 1HB SER 64 -11.736 10.752 4.387 420 HG SER 64 HG SER 64 -9.832 11.685 6.236 421 H GLY 65 H GLY 65 -10.667 8.429 3.117 422 1HA GLY 65 2HA GLY 65 -13.386 7.436 2.834 423 2HA GLY 65 1HA GLY 65 -12.077 7.240 1.668 424 H ASP 66 H ASP 66 -10.696 6.146 4.427 425 HA ASP 66 HA ASP 66 -10.235 4.065 5.261 426 1HB ASP 66 2HB ASP 66 -12.523 4.066 6.048 427 2HB ASP 66 1HB ASP 66 -13.140 3.586 4.477 428 H VAL 67 H VAL 67 -12.434 2.414 3.079 429 HA VAL 67 HA VAL 67 -10.146 1.105 1.817 430 HB VAL 67 HB VAL 67 -13.115 0.786 1.234 431 1HG1 VAL 67 1HG1 VAL 67 -10.759 -1.061 0.773 432 2HG1 VAL 67 2HG1 VAL 67 -11.544 -0.129 -0.493 433 3HG1 VAL 67 3HG1 VAL 67 -12.424 -1.381 0.353 434 1HG2 VAL 67 1HG2 VAL 67 -12.796 0.318 3.559 435 2HG2 VAL 67 2HG2 VAL 67 -11.300 -0.560 3.256 436 3HG2 VAL 67 3HG2 VAL 67 -12.846 -1.235 2.743 437 H TYR 68 H TYR 68 -9.773 1.185 -0.493 438 HA TYR 68 HA TYR 68 -10.359 3.780 -1.653 439 1HB TYR 68 2HB TYR 68 -8.131 2.643 -1.860 440 2HB TYR 68 1HB TYR 68 -8.871 1.452 -2.948 441 HD1 TYR 68 1HD TYR 68 -8.866 5.183 -2.469 442 HD2 TYR 68 2HD TYR 68 -8.609 1.899 -5.217 443 HE1 TYR 68 1HE TYR 68 -8.603 6.782 -4.335 444 HE2 TYR 68 2HE TYR 68 -8.340 3.496 -7.095 445 HH TYR 68 HH TYR 68 -7.563 6.709 -6.717 446 H SER 69 H SER 69 -12.076 4.166 -2.958 447 HA SER 69 HA SER 69 -13.364 1.825 -4.336 448 1HB SER 69 2HB SER 69 -15.496 2.984 -4.082 449 2HB SER 69 1HB SER 69 -14.738 2.838 -2.492 450 HG SER 69 HG SER 69 -15.551 4.974 -2.962 451 H GLY 70 H GLY 70 -11.549 4.602 -4.828 452 1HA GLY 70 2HA GLY 70 -11.043 4.913 -7.276 453 2HA GLY 70 1HA GLY 70 -12.779 5.071 -7.524 454 H GLY 71 H GLY 71 -10.224 6.951 -7.573 455 1HA GLY 71 2HA GLY 71 -11.361 9.417 -7.446 456 2HA GLY 71 1HA GLY 71 -11.121 9.090 -5.729 457 H SER 72 H SER 72 -9.449 9.596 -8.808 458 HA SER 72 HA SER 72 -7.243 10.174 -9.243 459 1HB SER 72 2HB SER 72 -7.714 12.185 -8.094 460 2HB SER 72 1HB SER 72 -7.653 11.402 -6.516 461 HG SER 72 HG SER 72 -5.535 12.067 -8.245 462 HA PRO 73 HA PRO 73 -5.445 6.589 -6.975 463 1HB PRO 73 2HB PRO 73 -4.294 5.511 -9.230 464 2HB PRO 73 1HB PRO 73 -5.958 5.220 -8.741 465 1HG PRO 73 2HG PRO 73 -4.905 6.961 -10.932 466 2HG PRO 73 1HG PRO 73 -6.459 6.118 -10.822 467 1HD PRO 73 2HD PRO 73 -6.012 8.871 -10.335 468 2HD PRO 73 1HD PRO 73 -7.482 7.964 -9.927 469 H GLY 74 H GLY 74 -2.966 5.713 -7.577 470 1HA GLY 74 2HA GLY 74 -0.689 6.231 -7.676 471 2HA GLY 74 1HA GLY 74 -1.110 7.845 -8.245 472 H ALA 75 H ALA 75 0.706 8.358 -6.608 473 HA ALA 75 HA ALA 75 1.231 9.459 -4.636 474 1HB ALA 75 1HB ALA 75 -1.542 9.073 -3.556 475 2HB ALA 75 2HB ALA 75 -1.316 10.110 -4.967 476 3HB ALA 75 3HB ALA 75 -0.468 10.463 -3.469 477 H ASP 76 H ASP 76 0.324 8.982 -2.018 478 HA ASP 76 HA ASP 76 1.844 6.991 -1.009 479 1HB ASP 76 2HB ASP 76 -0.943 7.784 -0.125 480 2HB ASP 76 1HB ASP 76 0.104 6.736 0.844 481 H ARG 77 H ARG 77 1.566 4.780 -0.361 482 HA ARG 77 HA ARG 77 -0.675 3.166 -1.078 483 1HB ARG 77 2HB ARG 77 -0.011 3.632 -3.348 484 2HB ARG 77 1HB ARG 77 1.630 3.158 -3.060 485 1HG ARG 77 2HG ARG 77 1.204 0.959 -3.185 486 2HG ARG 77 1HG ARG 77 -0.336 1.077 -2.330 487 1HD ARG 77 2HD ARG 77 0.201 1.674 -5.247 488 2HD ARG 77 1HD ARG 77 -0.782 0.385 -4.570 489 HE ARG 77 HE ARG 77 -1.689 2.216 -3.393 490 1HH1 ARG 77 1HH2 ARG 77 0.276 3.607 -5.271 491 2HH1 ARG 77 2HH2 ARG 77 -0.685 4.803 -6.025 492 1HH2 ARG 77 1HH1 ARG 77 -3.728 3.441 -5.143 493 2HH2 ARG 77 2HH1 ARG 77 -2.924 4.723 -5.947 494 H VAL 78 H VAL 78 0.321 2.820 1.195 495 HA VAL 78 HA VAL 78 2.760 1.577 1.633 496 HB VAL 78 HB VAL 78 0.906 2.355 3.332 497 1HG1 VAL 78 1HG1 VAL 78 -0.527 0.717 4.137 498 2HG1 VAL 78 2HG1 VAL 78 0.369 -0.586 3.371 499 3HG1 VAL 78 3HG1 VAL 78 -0.652 0.479 2.393 500 1HG2 VAL 78 1HG2 VAL 78 1.918 0.925 5.070 501 2HG2 VAL 78 2HG2 VAL 78 3.117 1.593 4.017 502 3HG2 VAL 78 3HG2 VAL 78 2.646 -0.070 3.835 503 H VAL 79 H VAL 79 3.122 -0.807 2.219 504 HA VAL 79 HA VAL 79 1.513 -2.573 0.427 505 HB VAL 79 HB VAL 79 4.253 -3.496 0.776 506 1HG1 VAL 79 1HG1 VAL 79 2.900 -4.394 -0.901 507 2HG1 VAL 79 2HG1 VAL 79 4.120 -3.490 -1.734 508 3HG1 VAL 79 3HG1 VAL 79 2.502 -2.837 -1.560 509 1HG2 VAL 79 1HG2 VAL 79 5.261 -1.763 -0.731 510 2HG2 VAL 79 2HG2 VAL 79 4.923 -1.202 0.891 511 3HG2 VAL 79 3HG2 VAL 79 3.840 -0.781 -0.410 512 H PHE 80 H PHE 80 2.125 -4.936 0.970 513 HA PHE 80 HA PHE 80 2.717 -5.462 3.764 514 1HB PHE 80 2HB PHE 80 0.392 -6.366 4.225 515 2HB PHE 80 1HB PHE 80 0.478 -4.621 4.028 516 HD1 PHE 80 1HD PHE 80 -1.035 -7.633 2.842 517 HD2 PHE 80 2HD PHE 80 -0.041 -3.619 1.709 518 HE1 PHE 80 1HE PHE 80 -2.691 -7.727 1.001 519 HE2 PHE 80 2HE PHE 80 -1.669 -3.719 -0.118 520 HZ PHE 80 HZ PHE 80 -3.020 -5.763 -0.479 521 H ASN 81 H ASN 81 1.685 -7.980 4.064 522 HA ASN 81 HA ASN 81 2.494 -9.402 1.551 523 1HB ASN 81 2HB ASN 81 4.357 -9.539 3.023 524 2HB ASN 81 1HB ASN 81 3.350 -9.995 4.403 525 1HD2 ASN 81 1HD2 ASN 81 3.750 -12.179 4.784 526 2HD2 ASN 81 2HD2 ASN 81 3.837 -13.379 3.546 527 H GLU 82 H GLU 82 1.517 -10.679 4.716 528 HA GLU 82 HA GLU 82 -1.129 -11.447 3.622 529 1HB GLU 82 2HB GLU 82 0.980 -13.423 4.561 530 2HB GLU 82 1HB GLU 82 -0.707 -13.857 4.274 531 1HG GLU 82 2HG GLU 82 1.066 -12.619 2.130 532 2HG GLU 82 1HG GLU 82 0.885 -14.334 2.381 533 H ASN 83 H ASN 83 0.418 -10.022 6.053 534 HA ASN 83 HA ASN 83 -1.657 -10.845 7.973 535 1HB ASN 83 2HB ASN 83 0.661 -12.148 8.247 536 2HB ASN 83 1HB ASN 83 1.177 -10.649 9.009 537 1HD2 ASN 83 1HD2 ASN 83 -1.940 -12.453 9.096 538 2HD2 ASN 83 2HD2 ASN 83 -1.981 -12.500 10.817 539 H ASN 84 H ASN 84 -0.581 -8.404 6.332 540 HA ASN 84 HA ASN 84 -0.655 -6.133 6.648 541 1HB ASN 84 2HB ASN 84 -2.283 -5.486 8.071 542 2HB ASN 84 1HB ASN 84 -2.439 -7.160 8.577 543 1HD2 ASN 84 1HD2 ASN 84 -2.366 -4.301 9.942 544 2HD2 ASN 84 2HD2 ASN 84 -1.424 -4.608 11.354 545 H GLN 85 H GLN 85 1.587 -8.049 7.740 546 HA GLN 85 HA GLN 85 2.952 -6.945 9.895 547 1HB GLN 85 2HB GLN 85 4.539 -7.577 7.406 548 2HB GLN 85 1HB GLN 85 4.886 -7.981 9.094 549 1HG GLN 85 2HG GLN 85 2.571 -9.365 8.714 550 2HG GLN 85 1HG GLN 85 3.257 -9.416 7.081 551 1HE2 GLN 85 1HE2 GLN 85 4.821 -11.006 6.774 552 2HE2 GLN 85 2HE2 GLN 85 5.623 -11.828 8.062 553 H LEU 86 H LEU 86 2.558 -5.725 6.623 554 HA LEU 86 HA LEU 86 2.669 -3.537 5.929 555 1HB LEU 86 2HB LEU 86 2.674 -3.041 8.576 556 2HB LEU 86 1HB LEU 86 4.368 -2.640 8.262 557 HG LEU 86 HG LEU 86 3.128 -0.614 8.005 558 1HD1 LEU 86 1HD1 LEU 86 4.835 -1.308 6.198 559 2HD1 LEU 86 2HD1 LEU 86 3.746 -0.004 5.844 560 3HD1 LEU 86 3HD1 LEU 86 3.430 -1.595 5.159 561 1HD2 LEU 86 1HD2 LEU 86 0.894 -1.670 7.755 562 2HD2 LEU 86 2HD2 LEU 86 1.319 -2.144 6.113 563 3HD2 LEU 86 3HD2 LEU 86 1.199 -0.459 6.528 564 H ALA 87 H ALA 87 4.004 -3.776 4.205 565 HA ALA 87 HA ALA 87 6.817 -4.501 4.495 566 1HB ALA 87 1HB ALA 87 6.761 -4.804 2.289 567 2HB ALA 87 2HB ALA 87 5.869 -3.364 1.924 568 3HB ALA 87 3HB ALA 87 5.039 -4.813 2.473 569 H GLY 88 H GLY 88 4.966 -1.542 3.928 570 1HA GLY 88 2HA GLY 88 6.514 0.334 5.078 571 2HA GLY 88 1HA GLY 88 7.443 0.046 3.606 572 H VAL 89 H VAL 89 6.284 2.539 4.162 573 HA VAL 89 HA VAL 89 3.781 2.721 2.620 574 HB VAL 89 HB VAL 89 5.444 5.027 3.619 575 1HG1 VAL 89 1HG1 VAL 89 2.489 4.610 3.061 576 2HG1 VAL 89 2HG1 VAL 89 3.597 5.568 2.090 577 3HG1 VAL 89 3HG1 VAL 89 3.183 6.082 3.730 578 1HG2 VAL 89 1HG2 VAL 89 5.109 3.533 5.506 579 2HG2 VAL 89 2HG2 VAL 89 3.404 3.354 5.121 580 3HG2 VAL 89 3HG2 VAL 89 4.030 4.900 5.618 581 H ILE 90 H ILE 90 4.069 2.454 0.432 582 HA ILE 90 HA ILE 90 6.341 3.922 -0.858 583 HB ILE 90 HB ILE 90 5.938 2.401 -2.780 584 1HG1 ILE 90 2HG1 ILE 90 4.011 1.077 -0.857 585 2HG1 ILE 90 1HG1 ILE 90 3.586 1.873 -2.382 586 1HG2 ILE 90 1HG2 ILE 90 6.322 0.787 -0.263 587 2HG2 ILE 90 2HG2 ILE 90 7.534 1.947 -0.809 588 3HG2 ILE 90 3HG2 ILE 90 7.110 0.583 -1.828 589 1HD1 ILE 90 1HD1 ILE 90 4.728 0.247 -3.646 590 2HD1 ILE 90 2HD1 ILE 90 3.701 -0.610 -2.511 591 3HD1 ILE 90 3HD1 ILE 90 5.429 -0.512 -2.233 592 H THR 91 H THR 91 5.815 5.514 -2.368 593 HA THR 91 HA THR 91 2.887 5.921 -2.828 594 HB THR 91 HB THR 91 4.183 7.571 -1.307 595 HG1 THR 91 1HG THR 91 2.854 9.166 -2.041 596 1HG2 THR 91 1HG2 THR 91 5.082 8.717 -3.944 597 2HG2 THR 91 2HG2 THR 91 6.094 7.627 -3.026 598 3HG2 THR 91 3HG2 THR 91 5.595 9.151 -2.318 599 H HIS 92 H HIS 92 2.585 7.480 -4.785 600 HA HIS 92 HA HIS 92 4.332 6.567 -6.986 601 1HB HIS 92 2HB HIS 92 1.498 6.335 -6.672 602 2HB HIS 92 1HB HIS 92 1.764 7.522 -7.952 603 HD1 HIS 92 1HD HIS 92 3.873 4.458 -7.198 604 HD2 HIS 92 2HD HIS 92 1.387 5.989 -10.178 605 HE1 HIS 92 1HE HIS 92 4.082 2.924 -9.193 606 HE2 HIS 92 2HE HIS 92 2.329 3.650 -10.838 607 H THR 93 H THR 93 5.561 8.516 -6.105 608 HA THR 93 HA THR 93 5.438 10.673 -7.904 609 HB THR 93 HB THR 93 3.227 11.152 -6.678 610 HG1 THR 93 1HG THR 93 4.107 12.877 -7.679 611 1HG2 THR 93 1HG2 THR 93 4.268 10.424 -4.438 612 2HG2 THR 93 2HG2 THR 93 3.253 11.850 -4.450 613 3HG2 THR 93 3HG2 THR 93 5.000 12.027 -4.413 614 H GLY 94 H GLY 94 7.004 12.406 -7.275 615 1HA GLY 94 2HA GLY 94 8.658 13.298 -5.771 616 2HA GLY 94 1HA GLY 94 8.577 11.839 -4.794 617 H ALA 95 H ALA 95 8.691 10.272 -7.502 618 HA ALA 95 HA ALA 95 11.630 10.639 -7.960 619 1HB ALA 95 1HB ALA 95 11.556 8.647 -6.769 620 2HB ALA 95 2HB ALA 95 11.466 8.045 -8.414 621 3HB ALA 95 3HB ALA 95 10.005 8.182 -7.436 622 H SER 96 H SER 96 12.036 9.009 -10.061 623 HA SER 96 HA SER 96 11.271 10.366 -12.311 624 1HB SER 96 2HB SER 96 11.719 7.397 -11.912 625 2HB SER 96 1HB SER 96 11.430 8.079 -13.520 626 HG SER 96 HG SER 96 13.290 9.218 -13.392 627 H GLY 97 H GLY 97 9.208 11.011 -12.839 628 1HA GLY 97 2HA GLY 97 6.922 10.857 -13.323 629 2HA GLY 97 1HA GLY 97 7.150 9.113 -13.493 630 H ASN 98 H ASN 98 6.392 7.803 -11.848 631 HA ASN 98 HA ASN 98 5.750 9.102 -9.226 632 1HB ASN 98 2HB ASN 98 3.810 7.103 -9.638 633 2HB ASN 98 1HB ASN 98 3.547 8.815 -9.605 634 1HD2 ASN 98 1HD2 ASN 98 3.970 9.965 -11.750 635 2HD2 ASN 98 2HD2 ASN 98 3.479 9.104 -13.164 636 H ASN 99 H ASN 99 8.042 7.513 -10.004 637 HA ASN 99 HA ASN 99 7.937 4.807 -9.460 638 1HB ASN 99 2HB ASN 99 10.005 6.431 -9.850 639 2HB ASN 99 1HB ASN 99 10.056 6.437 -8.094 640 1HD2 ASN 99 1HD2 ASN 99 9.666 3.979 -10.664 641 2HD2 ASN 99 2HD2 ASN 99 10.727 2.854 -9.894 642 H PHE 100 H PHE 100 8.712 3.761 -7.278 643 HA PHE 100 HA PHE 100 6.870 4.733 -5.193 644 1HB PHE 100 2HB PHE 100 8.511 2.203 -5.129 645 2HB PHE 100 1HB PHE 100 7.067 2.585 -4.196 646 HD1 PHE 100 1HD PHE 100 4.883 2.232 -5.097 647 HD2 PHE 100 2HD PHE 100 8.355 1.872 -7.606 648 HE1 PHE 100 1HE PHE 100 3.487 1.246 -6.895 649 HE2 PHE 100 2HE PHE 100 6.956 0.899 -9.404 650 HZ PHE 100 HZ PHE 100 4.523 0.579 -9.046 651 H VAL 101 H VAL 101 7.574 5.202 -3.078 652 HA VAL 101 HA VAL 101 10.442 5.140 -2.439 653 HB VAL 101 HB VAL 101 9.988 7.773 -1.804 654 1HG1 VAL 101 1HG1 VAL 101 10.996 6.808 -4.496 655 2HG1 VAL 101 2HG1 VAL 101 11.935 6.726 -3.006 656 3HG1 VAL 101 3HG1 VAL 101 11.434 8.287 -3.650 657 1HG2 VAL 101 1HG2 VAL 101 8.686 7.384 -4.522 658 2HG2 VAL 101 2HG2 VAL 101 8.848 8.862 -3.583 659 3HG2 VAL 101 3HG2 VAL 101 7.790 7.592 -3.026 660 H GLU 102 H GLU 102 10.773 5.366 -0.196 661 HA GLU 102 HA GLU 102 8.404 4.804 1.432 662 1HB GLU 102 2HB GLU 102 10.151 4.771 3.316 663 2HB GLU 102 1HB GLU 102 10.258 3.527 2.081 664 1HG GLU 102 2HG GLU 102 12.188 4.358 1.166 665 2HG GLU 102 1HG GLU 102 11.771 6.037 1.505 666 H CYS 103 H CYS 103 7.218 6.372 2.391 667 HA CYS 103 HA CYS 103 7.608 9.108 2.241 668 1HB CYS 103 2HB CYS 103 6.419 7.538 4.567 669 2HB CYS 103 1HB CYS 103 6.189 9.249 4.298 670 H THR 104 H THR 104 9.217 10.420 2.915 671 HA THR 104 HA THR 104 10.345 10.102 5.611 672 HB THR 104 HB THR 104 12.737 10.015 4.625 673 HG1 THR 104 1HG THR 104 12.920 9.434 2.522 674 1HG2 THR 104 1HG2 THR 104 11.202 7.514 3.992 675 2HG2 THR 104 2HG2 THR 104 11.349 8.067 5.659 676 3HG2 THR 104 3HG2 THR 104 12.783 7.701 4.715 Start of MODEL 10 1 1H ALA 1 1HT ALA 1 -0.876 11.259 15.894 2 2H ALA 1 2HT ALA 1 -0.130 12.623 15.157 3 3H ALA 1 3HT ALA 1 -0.015 12.396 16.851 4 HA ALA 1 HA ALA 1 2.039 11.817 15.777 5 1HB ALA 1 1HB ALA 1 0.481 9.431 16.817 6 2HB ALA 1 2HB ALA 1 1.355 10.603 17.802 7 3HB ALA 1 3HB ALA 1 2.241 9.541 16.710 8 H CYS 2 H CYS 2 3.131 10.155 14.398 9 HA CYS 2 HA CYS 2 1.799 8.375 12.726 10 1HB CYS 2 2HB CYS 2 2.038 9.946 10.544 11 2HB CYS 2 1HB CYS 2 0.565 9.882 11.507 12 H ASP 3 H ASP 3 3.413 7.081 11.978 13 HA ASP 3 HA ASP 3 6.166 8.165 11.922 14 1HB ASP 3 2HB ASP 3 5.461 5.854 12.864 15 2HB ASP 3 1HB ASP 3 5.341 5.334 11.179 16 H TYR 4 H TYR 4 3.703 6.903 9.691 17 HA TYR 4 HA TYR 4 5.507 7.116 7.384 18 1HB TYR 4 2HB TYR 4 2.529 6.540 7.658 19 2HB TYR 4 1HB TYR 4 3.375 6.567 6.104 20 HD1 TYR 4 1HD TYR 4 2.212 4.384 8.487 21 HD2 TYR 4 2HD TYR 4 5.797 5.273 6.295 22 HE1 TYR 4 1HE TYR 4 2.995 2.054 8.816 23 HE2 TYR 4 2HE TYR 4 6.583 2.947 6.628 24 HH TYR 4 HH TYR 4 5.247 0.582 7.106 25 H THR 5 H THR 5 5.982 9.073 6.544 26 HA THR 5 HA THR 5 3.785 11.008 6.085 27 HB THR 5 HB THR 5 5.495 12.817 7.047 28 HG1 THR 5 1HG THR 5 7.188 11.546 7.630 29 1HG2 THR 5 1HG2 THR 5 4.409 12.654 9.224 30 2HG2 THR 5 2HG2 THR 5 3.841 11.038 8.857 31 3HG2 THR 5 3HG2 THR 5 3.255 12.413 7.934 32 H CYS 6 H CYS 6 4.022 11.709 4.028 33 HA CYS 6 HA CYS 6 6.787 11.694 2.850 34 1HB CYS 6 2HB CYS 6 4.135 10.829 1.866 35 2HB CYS 6 1HB CYS 6 5.016 11.844 0.720 36 H GLY 7 H GLY 7 4.886 13.721 4.290 37 1HA GLY 7 2HA GLY 7 6.005 16.078 3.289 38 2HA GLY 7 1HA GLY 7 4.481 15.869 2.421 39 H SER 8 H SER 8 2.526 16.154 3.551 40 HA SER 8 HA SER 8 2.798 17.000 6.425 41 1HB SER 8 2HB SER 8 1.312 18.249 4.120 42 2HB SER 8 1HB SER 8 0.698 18.452 5.762 43 HG SER 8 HG SER 8 3.137 19.330 4.669 44 H ASN 9 H ASN 9 2.036 14.370 5.065 45 HA ASN 9 HA ASN 9 -0.814 14.152 5.890 46 1HB ASN 9 2HB ASN 9 0.905 11.999 4.603 47 2HB ASN 9 1HB ASN 9 -0.844 12.127 4.708 48 1HD2 ASN 9 1HD2 ASN 9 1.960 13.728 3.233 49 2HD2 ASN 9 2HD2 ASN 9 1.044 14.403 1.942 50 H CYS 10 H CYS 10 -0.946 13.852 8.079 51 HA CYS 10 HA CYS 10 1.101 12.389 9.523 52 1HB CYS 10 2HB CYS 10 -0.190 14.284 10.543 53 2HB CYS 10 1HB CYS 10 -1.653 13.288 10.483 54 H TYR 11 H TYR 11 0.903 10.360 8.258 55 HA TYR 11 HA TYR 11 -1.577 8.791 8.828 56 1HB TYR 11 2HB TYR 11 0.666 8.593 6.825 57 2HB TYR 11 1HB TYR 11 -0.204 7.116 7.266 58 HD1 TYR 11 1HD TYR 11 -2.646 6.935 6.940 59 HD2 TYR 11 2HD TYR 11 -0.397 10.288 5.522 60 HE1 TYR 11 1HE TYR 11 -4.509 7.570 5.462 61 HE2 TYR 11 2HE TYR 11 -2.286 10.930 4.024 62 HH TYR 11 HH TYR 11 -4.805 10.568 3.934 63 H SER 12 H SER 12 -1.472 7.771 10.769 64 HA SER 12 HA SER 12 1.129 6.953 11.866 65 1HB SER 12 2HB SER 12 -0.833 5.891 13.538 66 2HB SER 12 1HB SER 12 -0.051 7.465 13.717 67 HG SER 12 HG SER 12 -2.356 7.602 13.642 68 H SER 13 H SER 13 2.001 4.975 11.670 69 HA SER 13 HA SER 13 1.204 3.013 9.917 70 1HB SER 13 2HB SER 13 2.834 1.707 10.867 71 2HB SER 13 1HB SER 13 3.213 3.173 11.772 72 HG SER 13 HG SER 13 2.900 1.316 13.120 73 H SER 14 H SER 14 -0.181 3.674 13.085 74 HA SER 14 HA SER 14 -1.628 1.209 13.335 75 1HB SER 14 2HB SER 14 -1.127 2.999 15.138 76 2HB SER 14 1HB SER 14 -2.538 3.854 14.506 77 HG SER 14 HG SER 14 -2.947 2.317 16.259 78 H ASP 15 H ASP 15 -2.621 4.469 12.207 79 HA ASP 15 HA ASP 15 -5.265 3.591 11.438 80 1HB ASP 15 2HB ASP 15 -3.623 6.047 11.169 81 2HB ASP 15 1HB ASP 15 -4.692 5.776 9.792 82 H VAL 16 H VAL 16 -2.110 3.367 10.018 83 HA VAL 16 HA VAL 16 -3.063 2.914 7.317 84 HB VAL 16 HB VAL 16 -0.379 2.134 8.503 85 1HG1 VAL 16 1HG1 VAL 16 0.359 2.432 6.150 86 2HG1 VAL 16 2HG1 VAL 16 -1.305 2.778 5.677 87 3HG1 VAL 16 3HG1 VAL 16 -0.872 1.180 6.285 88 1HG2 VAL 16 1HG2 VAL 16 -0.035 4.322 8.811 89 2HG2 VAL 16 2HG2 VAL 16 -1.537 4.787 8.034 90 3HG2 VAL 16 3HG2 VAL 16 -0.087 4.524 7.078 91 H SER 17 H SER 17 -2.392 0.979 10.170 92 HA SER 17 HA SER 17 -2.226 -1.576 8.954 93 1HB SER 17 2HB SER 17 -1.664 -1.178 11.317 94 2HB SER 17 1HB SER 17 -3.364 -0.845 11.670 95 HG SER 17 HG SER 17 -2.685 -3.050 12.095 96 H THR 18 H THR 18 -5.054 0.221 10.217 97 HA THR 18 HA THR 18 -7.007 -1.764 9.642 98 HB THR 18 HB THR 18 -8.412 0.553 9.198 99 HG1 THR 18 1HG THR 18 -7.371 2.252 10.092 100 1HG2 THR 18 1HG2 THR 18 -8.778 -1.041 11.037 101 2HG2 THR 18 2HG2 THR 18 -8.795 0.627 11.607 102 3HG2 THR 18 3HG2 THR 18 -7.376 -0.382 11.887 103 H ALA 19 H ALA 19 -5.953 1.006 7.660 104 HA ALA 19 HA ALA 19 -7.441 0.198 5.326 105 1HB ALA 19 1HB ALA 19 -5.921 1.795 4.140 106 2HB ALA 19 2HB ALA 19 -4.981 1.914 5.630 107 3HB ALA 19 3HB ALA 19 -6.643 2.490 5.597 108 H GLN 20 H GLN 20 -4.557 -0.971 6.795 109 HA GLN 20 HA GLN 20 -3.323 -1.977 4.413 110 1HB GLN 20 2HB GLN 20 -2.460 -1.649 6.996 111 2HB GLN 20 1HB GLN 20 -2.733 -3.379 6.997 112 1HG GLN 20 2HG GLN 20 -0.862 -1.753 5.280 113 2HG GLN 20 1HG GLN 20 -0.539 -3.172 6.291 114 1HE2 GLN 20 1HE2 GLN 20 -1.892 -5.177 5.587 115 2HE2 GLN 20 2HE2 GLN 20 -2.083 -5.419 3.914 116 H ALA 21 H ALA 21 -5.545 -3.244 6.865 117 HA ALA 21 HA ALA 21 -5.577 -5.940 5.736 118 1HB ALA 21 1HB ALA 21 -7.467 -6.287 7.291 119 2HB ALA 21 2HB ALA 21 -7.480 -4.558 7.657 120 3HB ALA 21 3HB ALA 21 -6.090 -5.545 8.106 121 H ALA 22 H ALA 22 -6.831 -2.967 4.731 122 HA ALA 22 HA ALA 22 -9.372 -3.896 3.692 123 1HB ALA 22 1HB ALA 22 -9.512 -1.704 2.689 124 2HB ALA 22 2HB ALA 22 -7.799 -1.402 2.962 125 3HB ALA 22 3HB ALA 22 -8.900 -1.523 4.329 126 H GLY 23 H GLY 23 -6.386 -2.703 2.055 127 1HA GLY 23 2HA GLY 23 -7.070 -3.703 -0.519 128 2HA GLY 23 1HA GLY 23 -5.429 -3.404 0.042 129 H TYR 24 H TYR 24 -5.814 -5.288 2.333 130 HA TYR 24 HA TYR 24 -4.848 -7.636 0.974 131 1HB TYR 24 2HB TYR 24 -3.966 -7.212 3.168 132 2HB TYR 24 1HB TYR 24 -5.591 -7.042 3.851 133 HD1 TYR 24 1HD TYR 24 -5.401 -8.756 5.535 134 HD2 TYR 24 2HD TYR 24 -4.598 -9.655 1.404 135 HE1 TYR 24 1HE TYR 24 -5.442 -11.183 6.043 136 HE2 TYR 24 2HE TYR 24 -4.668 -12.056 1.907 137 HH TYR 24 HH TYR 24 -4.190 -13.422 4.531 138 H GLN 25 H GLN 25 -7.871 -6.828 2.674 139 HA GLN 25 HA GLN 25 -9.109 -9.355 2.468 140 1HB GLN 25 2HB GLN 25 -9.884 -6.820 3.337 141 2HB GLN 25 1HB GLN 25 -10.970 -7.095 1.980 142 1HG GLN 25 2HG GLN 25 -11.448 -9.386 3.002 143 2HG GLN 25 1HG GLN 25 -10.606 -8.788 4.443 144 1HE2 GLN 25 1HE2 GLN 25 -13.141 -7.628 2.162 145 2HE2 GLN 25 2HE2 GLN 25 -14.121 -6.951 3.412 146 H LEU 26 H LEU 26 -9.901 -6.596 0.311 147 HA LEU 26 HA LEU 26 -11.224 -7.978 -1.644 148 1HB LEU 26 2HB LEU 26 -9.946 -5.429 -1.436 149 2HB LEU 26 1HB LEU 26 -9.350 -6.130 -2.938 150 HG LEU 26 HG LEU 26 -11.403 -4.853 -3.355 151 1HD1 LEU 26 1HD1 LEU 26 -11.811 -7.859 -3.553 152 2HD1 LEU 26 2HD1 LEU 26 -10.950 -6.852 -4.689 153 3HD1 LEU 26 3HD1 LEU 26 -12.677 -6.639 -4.441 154 1HD2 LEU 26 1HD2 LEU 26 -12.303 -5.274 -0.993 155 2HD2 LEU 26 2HD2 LEU 26 -12.855 -6.842 -1.583 156 3HD2 LEU 26 3HD2 LEU 26 -13.464 -5.363 -2.310 157 H HIS 27 H HIS 27 -7.693 -7.678 -1.398 158 HA HIS 27 HA HIS 27 -6.976 -9.002 -3.760 159 1HB HIS 27 2HB HIS 27 -5.249 -8.030 -2.399 160 2HB HIS 27 1HB HIS 27 -5.663 -9.060 -1.030 161 HD1 HIS 27 1HD HIS 27 -5.401 -10.381 -4.549 162 HD2 HIS 27 2HD HIS 27 -3.230 -10.458 -0.986 163 HE1 HIS 27 1HE HIS 27 -3.573 -12.093 -4.864 164 HE2 HIS 27 2HE HIS 27 -2.483 -12.357 -2.602 165 H GLU 28 H GLU 28 -7.459 -10.545 -0.554 166 HA GLU 28 HA GLU 28 -7.350 -13.207 -1.789 167 1HB GLU 28 2HB GLU 28 -7.076 -12.136 0.838 168 2HB GLU 28 1HB GLU 28 -8.460 -13.218 0.912 169 1HG GLU 28 2HG GLU 28 -5.991 -14.166 -0.539 170 2HG GLU 28 1HG GLU 28 -5.964 -14.080 1.224 171 H ASP 29 H ASP 29 -9.738 -10.884 -1.679 172 HA ASP 29 HA ASP 29 -11.965 -12.730 -1.249 173 1HB ASP 29 2HB ASP 29 -11.838 -10.167 -0.653 174 2HB ASP 29 1HB ASP 29 -12.273 -9.926 -2.348 175 H GLY 30 H GLY 30 -9.879 -12.483 -3.726 176 1HA GLY 30 2HA GLY 30 -9.996 -12.830 -6.019 177 2HA GLY 30 1HA GLY 30 -11.396 -13.827 -5.618 178 H GLU 31 H GLU 31 -11.342 -10.390 -4.873 179 HA GLU 31 HA GLU 31 -13.245 -9.924 -7.128 180 1HB GLU 31 2HB GLU 31 -14.072 -10.064 -4.579 181 2HB GLU 31 1HB GLU 31 -13.542 -8.416 -4.550 182 1HG GLU 31 2HG GLU 31 -15.449 -7.793 -5.491 183 2HG GLU 31 1HG GLU 31 -14.949 -8.613 -6.975 184 H THR 32 H THR 32 -13.529 -7.116 -6.507 185 HA THR 32 HA THR 32 -10.795 -6.036 -6.559 186 HB THR 32 HB THR 32 -12.403 -4.857 -8.720 187 HG1 THR 32 1HG THR 32 -11.647 -7.576 -9.116 188 1HG2 THR 32 1HG2 THR 32 -10.376 -5.039 -9.895 189 2HG2 THR 32 2HG2 THR 32 -9.804 -6.366 -8.905 190 3HG2 THR 32 3HG2 THR 32 -9.893 -4.747 -8.231 191 H VAL 33 H VAL 33 -11.247 -3.459 -7.102 192 HA VAL 33 HA VAL 33 -13.204 -2.678 -4.970 193 HB VAL 33 HB VAL 33 -11.917 -0.583 -4.856 194 1HG1 VAL 33 1HG1 VAL 33 -9.886 -1.521 -3.962 195 2HG1 VAL 33 2HG1 VAL 33 -10.137 -3.047 -4.788 196 3HG1 VAL 33 3HG1 VAL 33 -11.228 -2.541 -3.490 197 1HG2 VAL 33 1HG2 VAL 33 -11.228 -0.585 -7.293 198 2HG2 VAL 33 2HG2 VAL 33 -10.084 -1.857 -6.916 199 3HG2 VAL 33 3HG2 VAL 33 -9.919 -0.275 -6.175 200 H GLY 34 H GLY 34 -14.190 -0.422 -5.391 201 1HA GLY 34 2HA GLY 34 -15.967 -0.465 -7.514 202 2HA GLY 34 1HA GLY 34 -15.416 1.037 -6.770 203 H SER 35 H SER 35 -12.660 0.829 -7.516 204 HA SER 35 HA SER 35 -12.862 1.785 -10.267 205 1HB SER 35 2HB SER 35 -10.884 1.843 -8.097 206 2HB SER 35 1HB SER 35 -10.134 1.522 -9.662 207 HG SER 35 HG SER 35 -10.896 3.413 -10.437 208 H ASN 36 H ASN 36 -11.026 0.929 -11.803 209 HA ASN 36 HA ASN 36 -11.640 -1.604 -12.732 210 1HB ASN 36 2HB ASN 36 -8.836 -0.414 -12.754 211 2HB ASN 36 1HB ASN 36 -9.501 -1.583 -13.906 212 1HD2 ASN 36 1HD2 ASN 36 -8.524 0.814 -14.909 213 2HD2 ASN 36 2HD2 ASN 36 -9.853 1.793 -15.417 214 H SER 37 H SER 37 -9.048 -0.794 -10.411 215 HA SER 37 HA SER 37 -9.418 -3.018 -8.756 216 1HB SER 37 2HB SER 37 -8.609 -4.201 -10.960 217 2HB SER 37 1HB SER 37 -7.040 -3.524 -10.569 218 HG SER 37 HG SER 37 -7.418 -5.658 -9.725 219 H TYR 38 H TYR 38 -6.760 -3.556 -7.966 220 HA TYR 38 HA TYR 38 -4.990 -1.463 -7.927 221 1HB TYR 38 2HB TYR 38 -7.351 -0.697 -6.434 222 2HB TYR 38 1HB TYR 38 -5.959 -0.756 -5.363 223 HD1 TYR 38 1HD TYR 38 -7.586 1.251 -7.764 224 HD2 TYR 38 2HD TYR 38 -3.705 0.136 -6.315 225 HE1 TYR 38 1HE TYR 38 -6.620 3.285 -8.792 226 HE2 TYR 38 2HE TYR 38 -2.746 2.179 -7.350 227 HH TYR 38 HH TYR 38 -3.712 3.781 -9.553 228 HA PRO 39 HA PRO 39 -4.143 -4.063 -4.030 229 1HB PRO 39 2HB PRO 39 -5.869 -6.123 -3.509 230 2HB PRO 39 1HB PRO 39 -5.999 -4.520 -2.811 231 1HG PRO 39 2HG PRO 39 -7.638 -5.762 -4.973 232 2HG PRO 39 1HG PRO 39 -8.092 -4.501 -3.814 233 1HD PRO 39 2HD PRO 39 -7.403 -4.125 -6.494 234 2HD PRO 39 1HD PRO 39 -7.517 -2.836 -5.298 235 H HIS 40 H HIS 40 -2.458 -4.799 -5.368 236 HA HIS 40 HA HIS 40 -2.741 -7.636 -6.249 237 1HB HIS 40 2HB HIS 40 -0.981 -6.293 -8.115 238 2HB HIS 40 1HB HIS 40 -2.479 -7.174 -8.439 239 HD1 HIS 40 1HD HIS 40 -4.639 -5.854 -8.657 240 HD2 HIS 40 2HD HIS 40 -1.319 -3.474 -7.989 241 HE1 HIS 40 1HE HIS 40 -5.289 -3.520 -9.278 242 HE2 HIS 40 2HE HIS 40 -3.245 -2.100 -9.050 243 H LYS 41 H LYS 41 -0.317 -8.320 -6.970 244 HA LYS 41 HA LYS 41 1.206 -8.059 -4.556 245 1HB LYS 41 2HB LYS 41 2.707 -9.583 -5.474 246 2HB LYS 41 1HB LYS 41 1.190 -10.001 -6.265 247 1HG LYS 41 2HG LYS 41 2.278 -9.783 -8.196 248 2HG LYS 41 1HG LYS 41 2.161 -8.048 -7.978 249 1HD LYS 41 2HD LYS 41 4.460 -8.520 -8.378 250 2HD LYS 41 1HD LYS 41 4.358 -8.211 -6.649 251 1HE LYS 41 2HE LYS 41 5.121 -10.252 -6.180 252 2HE LYS 41 1HE LYS 41 3.843 -11.014 -7.133 253 1HZ LYS 41 1HZ LYS 41 6.413 -9.950 -8.201 254 2HZ LYS 41 2HZ LYS 41 5.179 -10.649 -9.130 255 3HZ LYS 41 3HZ LYS 41 6.014 -11.580 -7.995 256 H TYR 42 H TYR 42 3.476 -7.249 -4.458 257 HA TYR 42 HA TYR 42 3.925 -4.923 -6.281 258 1HB TYR 42 2HB TYR 42 3.229 -3.886 -4.293 259 2HB TYR 42 1HB TYR 42 4.012 -5.056 -3.273 260 HD1 TYR 42 1HD TYR 42 4.549 -2.185 -5.516 261 HD2 TYR 42 2HD TYR 42 6.353 -4.823 -2.705 262 HE1 TYR 42 1HE TYR 42 6.547 -0.730 -5.385 263 HE2 TYR 42 2HE TYR 42 8.344 -3.395 -2.557 264 HH TYR 42 HH TYR 42 9.399 -1.565 -3.412 265 H ASN 43 H ASN 43 6.187 -4.457 -6.658 266 HA ASN 43 HA ASN 43 8.241 -6.138 -5.461 267 1HB ASN 43 2HB ASN 43 8.846 -7.144 -7.797 268 2HB ASN 43 1HB ASN 43 7.501 -7.857 -6.917 269 1HD2 ASN 43 1HD2 ASN 43 8.239 -7.134 -9.955 270 2HD2 ASN 43 2HD2 ASN 43 6.699 -6.597 -10.523 271 H ASN 44 H ASN 44 9.364 -4.202 -5.139 272 HA ASN 44 HA ASN 44 10.506 -2.986 -7.622 273 1HB ASN 44 2HB ASN 44 8.620 -1.701 -6.093 274 2HB ASN 44 1HB ASN 44 10.115 -1.061 -5.404 275 1HD2 ASN 44 1HD2 ASN 44 8.528 -1.699 -8.556 276 2HD2 ASN 44 2HD2 ASN 44 9.199 -0.295 -9.308 277 H TYR 45 H TYR 45 10.791 -3.407 -4.086 278 HA TYR 45 HA TYR 45 12.678 -3.294 -2.731 279 1HB TYR 45 2HB TYR 45 14.651 -4.596 -4.288 280 2HB TYR 45 1HB TYR 45 13.490 -5.346 -3.198 281 HD1 TYR 45 1HD TYR 45 14.593 -5.179 -6.555 282 HD2 TYR 45 2HD TYR 45 11.103 -5.798 -4.131 283 HE1 TYR 45 1HE TYR 45 13.483 -6.327 -8.452 284 HE2 TYR 45 2HE TYR 45 10.024 -6.970 -6.012 285 HH TYR 45 HH TYR 45 10.660 -6.697 -9.007 286 H GLU 46 H GLU 46 12.351 -1.026 -4.684 287 HA GLU 46 HA GLU 46 14.561 -0.165 -6.006 288 1HB GLU 46 2HB GLU 46 12.261 1.013 -5.005 289 2HB GLU 46 1HB GLU 46 13.510 1.851 -4.090 290 1HG GLU 46 2HG GLU 46 14.421 1.682 -6.797 291 2HG GLU 46 1HG GLU 46 12.721 2.166 -6.828 292 H GLY 47 H GLY 47 14.279 -0.622 -2.561 293 1HA GLY 47 2HA GLY 47 16.996 -0.828 -2.001 294 2HA GLY 47 1HA GLY 47 16.628 0.889 -1.805 295 H PHE 48 H PHE 48 13.805 0.083 -0.992 296 HA PHE 48 HA PHE 48 14.433 -0.321 1.875 297 1HB PHE 48 2HB PHE 48 11.689 0.018 1.776 298 2HB PHE 48 1HB PHE 48 12.859 1.305 1.971 299 HD1 PHE 48 1HD PHE 48 10.529 -0.288 -0.344 300 HD2 PHE 48 2HD PHE 48 13.568 2.701 0.082 301 HE1 PHE 48 1HE PHE 48 9.802 0.736 -2.478 302 HE2 PHE 48 2HE PHE 48 12.856 3.727 -2.062 303 HZ PHE 48 HZ PHE 48 10.988 2.725 -3.341 304 H ASP 49 H ASP 49 14.926 -2.621 0.493 305 HA ASP 49 HA ASP 49 12.865 -4.404 -0.029 306 1HB ASP 49 2HB ASP 49 15.663 -4.589 0.369 307 2HB ASP 49 1HB ASP 49 14.978 -5.750 1.503 308 H PHE 50 H PHE 50 11.087 -4.498 1.287 309 HA PHE 50 HA PHE 50 11.187 -4.227 4.156 310 1HB PHE 50 2HB PHE 50 8.971 -5.646 2.692 311 2HB PHE 50 1HB PHE 50 8.877 -4.676 4.128 312 HD1 PHE 50 1HD PHE 50 8.027 -4.551 0.804 313 HD2 PHE 50 2HD PHE 50 10.086 -2.238 3.757 314 HE1 PHE 50 1HE PHE 50 7.586 -2.538 -0.517 315 HE2 PHE 50 2HE PHE 50 9.632 -0.188 2.435 316 HZ PHE 50 HZ PHE 50 8.391 -0.342 0.298 317 H SER 51 H SER 51 10.521 -6.028 5.691 318 HA SER 51 HA SER 51 11.866 -8.579 4.857 319 1HB SER 51 2HB SER 51 12.944 -7.470 6.749 320 2HB SER 51 1HB SER 51 11.405 -7.403 7.618 321 HG SER 51 HG SER 51 11.491 -9.536 7.967 322 H VAL 52 H VAL 52 8.951 -7.717 4.468 323 HA VAL 52 HA VAL 52 7.480 -9.467 6.302 324 HB VAL 52 HB VAL 52 6.475 -8.193 3.730 325 1HG1 VAL 52 1HG1 VAL 52 5.176 -9.134 6.248 326 2HG1 VAL 52 2HG1 VAL 52 5.027 -9.915 4.720 327 3HG1 VAL 52 3HG1 VAL 52 4.302 -8.321 4.976 328 1HG2 VAL 52 1HG2 VAL 52 6.638 -7.058 6.540 329 2HG2 VAL 52 2HG2 VAL 52 5.704 -6.355 5.223 330 3HG2 VAL 52 3HG2 VAL 52 7.453 -6.437 5.105 331 H SER 53 H SER 53 7.961 -9.442 2.729 332 HA SER 53 HA SER 53 8.646 -12.225 2.622 333 1HB SER 53 2HB SER 53 6.019 -12.085 3.199 334 2HB SER 53 1HB SER 53 5.901 -11.852 1.461 335 HG SER 53 HG SER 53 5.862 -14.081 2.195 336 H SER 54 H SER 54 8.444 -13.035 0.259 337 HA SER 54 HA SER 54 9.629 -11.051 -1.472 338 1HB SER 54 2HB SER 54 8.497 -13.339 -2.929 339 2HB SER 54 1HB SER 54 10.162 -12.839 -2.697 340 HG SER 54 HG SER 54 9.579 -14.905 -1.730 341 HA PRO 55 HA PRO 55 5.458 -11.211 -3.807 342 1HB PRO 55 2HB PRO 55 3.389 -12.556 -2.621 343 2HB PRO 55 1HB PRO 55 4.549 -13.298 -3.719 344 1HG PRO 55 2HG PRO 55 4.371 -13.534 -0.740 345 2HG PRO 55 1HG PRO 55 4.978 -14.708 -1.922 346 1HD PRO 55 2HD PRO 55 6.525 -13.038 -0.309 347 2HD PRO 55 1HD PRO 55 7.091 -13.938 -1.708 348 H TYR 56 H TYR 56 5.597 -9.036 -3.089 349 HA TYR 56 HA TYR 56 4.287 -8.199 -0.604 350 1HB TYR 56 2HB TYR 56 5.431 -6.726 -2.981 351 2HB TYR 56 1HB TYR 56 4.659 -5.881 -1.690 352 HD1 TYR 56 1HD TYR 56 5.434 -6.937 0.752 353 HD2 TYR 56 2HD TYR 56 7.738 -6.608 -2.857 354 HE1 TYR 56 1HE TYR 56 7.516 -6.944 2.085 355 HE2 TYR 56 2HE TYR 56 9.830 -6.608 -1.527 356 HH TYR 56 HH TYR 56 10.314 -7.671 1.181 357 H TYR 57 H TYR 57 2.783 -6.048 -1.245 358 HA TYR 57 HA TYR 57 0.933 -6.625 -3.376 359 1HB TYR 57 2HB TYR 57 0.124 -6.949 -0.475 360 2HB TYR 57 1HB TYR 57 -1.042 -6.704 -1.786 361 HD1 TYR 57 1HD TYR 57 0.756 -9.143 -0.007 362 HD2 TYR 57 2HD TYR 57 -0.854 -8.275 -3.839 363 HE1 TYR 57 1HE TYR 57 0.842 -11.562 -0.581 364 HE2 TYR 57 2HE TYR 57 -0.781 -10.664 -4.449 365 HH TYR 57 HH TYR 57 0.942 -12.841 -3.194 366 H GLU 58 H GLU 58 0.768 -4.641 -4.224 367 HA GLU 58 HA GLU 58 1.111 -2.263 -2.542 368 1HB GLU 58 2HB GLU 58 0.746 -1.039 -4.719 369 2HB GLU 58 1HB GLU 58 2.089 -2.179 -4.734 370 1HG GLU 58 2HG GLU 58 0.958 -3.757 -6.017 371 2HG GLU 58 1HG GLU 58 -0.637 -3.100 -5.652 372 H TRP 59 H TRP 59 -0.456 -0.835 -1.928 373 HA TRP 59 HA TRP 59 -3.154 -0.919 -3.023 374 1HB TRP 59 2HB TRP 59 -3.453 -2.762 -1.522 375 2HB TRP 59 1HB TRP 59 -2.549 -1.950 -0.237 376 HD1 TRP 59 HD TRP 59 -3.788 -0.279 1.267 377 HE1 TRP 59 1HE TRP 59 -6.253 0.396 1.536 378 HE3 TRP 59 3HE TRP 59 -5.735 -2.442 -2.931 379 HZ2 TRP 59 2HZ TRP 59 -8.719 0.057 0.114 380 HZ3 TRP 59 3HZ TRP 59 -8.142 -2.273 -3.415 381 HH2 TRP 59 HH TRP 59 -9.655 -1.036 -1.908 382 HA PRO 60 HA PRO 60 -2.560 3.296 -1.699 383 1HB PRO 60 2HB PRO 60 -5.155 4.158 -1.986 384 2HB PRO 60 1HB PRO 60 -4.038 3.922 -3.316 385 1HG PRO 60 2HG PRO 60 -6.234 2.134 -2.404 386 2HG PRO 60 1HG PRO 60 -5.701 2.436 -4.060 387 1HD PRO 60 2HD PRO 60 -5.104 0.219 -2.578 388 2HD PRO 60 1HD PRO 60 -4.127 0.758 -3.899 389 H ILE 61 H ILE 61 -2.797 4.507 0.152 390 HA ILE 61 HA ILE 61 -4.385 3.253 2.355 391 HB ILE 61 HB ILE 61 -2.108 3.300 3.016 392 1HG1 ILE 61 2HG1 ILE 61 -2.048 4.860 4.856 393 2HG1 ILE 61 1HG1 ILE 61 -3.200 5.940 4.073 394 1HG2 ILE 61 1HG2 ILE 61 -1.098 4.606 1.310 395 2HG2 ILE 61 2HG2 ILE 61 -0.781 5.489 2.793 396 3HG2 ILE 61 3HG2 ILE 61 -2.057 6.026 1.711 397 1HD1 ILE 61 1HD1 ILE 61 -4.500 3.452 4.179 398 2HD1 ILE 61 2HD1 ILE 61 -4.796 4.837 5.184 399 3HD1 ILE 61 3HD1 ILE 61 -3.675 3.619 5.693 400 H LEU 62 H LEU 62 -5.978 4.546 3.360 401 HA LEU 62 HA LEU 62 -6.149 7.396 2.452 402 1HB LEU 62 2HB LEU 62 -8.612 5.842 3.194 403 2HB LEU 62 1HB LEU 62 -8.405 7.176 2.047 404 HG LEU 62 HG LEU 62 -7.578 4.281 1.648 405 1HD1 LEU 62 1HD1 LEU 62 -9.035 4.916 -0.484 406 2HD1 LEU 62 2HD1 LEU 62 -9.747 6.072 0.625 407 3HD1 LEU 62 3HD1 LEU 62 -9.745 4.357 1.008 408 1HD2 LEU 62 1HD2 LEU 62 -7.198 5.785 -0.705 409 2HD2 LEU 62 2HD2 LEU 62 -5.978 5.025 0.255 410 3HD2 LEU 62 3HD2 LEU 62 -6.407 6.716 0.531 411 H SER 63 H SER 63 -7.538 8.722 3.972 412 HA SER 63 HA SER 63 -7.105 7.823 6.809 413 1HB SER 63 2HB SER 63 -5.780 9.887 5.690 414 2HB SER 63 1HB SER 63 -7.212 10.748 6.195 415 HG SER 63 HG SER 63 -5.670 10.700 7.857 416 H SER 64 H SER 64 -9.414 8.377 4.502 417 HA SER 64 HA SER 64 -11.343 9.667 6.351 418 1HB SER 64 2HB SER 64 -10.971 9.536 3.472 419 2HB SER 64 1HB SER 64 -12.599 9.024 3.882 420 HG SER 64 HG SER 64 -11.326 11.479 4.388 421 H GLY 65 H GLY 65 -13.707 8.444 5.526 422 1HA GLY 65 2HA GLY 65 -13.331 5.677 6.617 423 2HA GLY 65 1HA GLY 65 -14.813 6.624 6.667 424 H ASP 66 H ASP 66 -12.555 5.584 4.075 425 HA ASP 66 HA ASP 66 -14.706 4.076 2.797 426 1HB ASP 66 2HB ASP 66 -14.437 6.826 2.135 427 2HB ASP 66 1HB ASP 66 -13.698 5.965 0.783 428 H VAL 67 H VAL 67 -13.510 2.272 2.466 429 HA VAL 67 HA VAL 67 -10.729 2.115 2.049 430 HB VAL 67 HB VAL 67 -12.961 0.318 1.034 431 1HG1 VAL 67 1HG1 VAL 67 -9.998 -0.224 1.220 432 2HG1 VAL 67 2HG1 VAL 67 -10.876 -0.025 -0.300 433 3HG1 VAL 67 3HG1 VAL 67 -11.217 -1.392 0.746 434 1HG2 VAL 67 1HG2 VAL 67 -12.799 0.533 3.485 435 2HG2 VAL 67 2HG2 VAL 67 -11.086 0.126 3.416 436 3HG2 VAL 67 3HG2 VAL 67 -12.299 -1.073 2.966 437 H TYR 68 H TYR 68 -9.414 2.192 0.157 438 HA TYR 68 HA TYR 68 -10.067 3.961 -1.874 439 1HB TYR 68 2HB TYR 68 -7.798 2.916 -1.484 440 2HB TYR 68 1HB TYR 68 -8.356 1.488 -2.363 441 HD1 TYR 68 1HD TYR 68 -7.303 4.971 -2.646 442 HD2 TYR 68 2HD TYR 68 -8.962 1.621 -4.756 443 HE1 TYR 68 1HE TYR 68 -6.828 6.073 -4.789 444 HE2 TYR 68 2HE TYR 68 -8.478 2.750 -6.906 445 HH TYR 68 HH TYR 68 -7.708 4.628 -7.919 446 H SER 69 H SER 69 -11.631 3.933 -3.381 447 HA SER 69 HA SER 69 -12.163 1.576 -5.009 448 1HB SER 69 2HB SER 69 -14.645 1.495 -4.299 449 2HB SER 69 1HB SER 69 -13.482 0.832 -3.150 450 HG SER 69 HG SER 69 -14.893 2.228 -2.076 451 H GLY 70 H GLY 70 -11.493 4.467 -5.290 452 1HA GLY 70 2HA GLY 70 -13.904 5.371 -6.842 453 2HA GLY 70 1HA GLY 70 -12.750 6.452 -6.068 454 H GLY 71 H GLY 71 -10.388 6.077 -6.817 455 1HA GLY 71 2HA GLY 71 -9.394 4.903 -9.016 456 2HA GLY 71 1HA GLY 71 -10.438 6.087 -9.793 457 H SER 72 H SER 72 -7.505 5.946 -9.876 458 HA SER 72 HA SER 72 -5.684 7.365 -9.691 459 1HB SER 72 2HB SER 72 -6.653 9.926 -9.462 460 2HB SER 72 1HB SER 72 -6.521 9.015 -10.966 461 HG SER 72 HG SER 72 -8.778 9.619 -9.470 462 HA PRO 73 HA PRO 73 -5.864 7.763 -5.108 463 1HB PRO 73 2HB PRO 73 -3.425 6.563 -4.736 464 2HB PRO 73 1HB PRO 73 -4.905 5.661 -4.870 465 1HG PRO 73 2HG PRO 73 -2.728 5.946 -6.868 466 2HG PRO 73 1HG PRO 73 -3.912 4.670 -6.658 467 1HD PRO 73 2HD PRO 73 -3.997 6.748 -8.602 468 2HD PRO 73 1HD PRO 73 -5.301 5.608 -8.248 469 H GLY 74 H GLY 74 -2.551 7.885 -6.481 470 1HA GLY 74 2HA GLY 74 -1.360 9.899 -6.949 471 2HA GLY 74 1HA GLY 74 -2.461 10.799 -5.915 472 H ALA 75 H ALA 75 0.474 8.968 -6.028 473 HA ALA 75 HA ALA 75 2.130 8.714 -4.411 474 1HB ALA 75 1HB ALA 75 0.732 10.599 -2.588 475 2HB ALA 75 2HB ALA 75 1.385 11.181 -4.101 476 3HB ALA 75 3HB ALA 75 2.435 10.443 -2.934 477 H ASP 76 H ASP 76 1.701 8.977 -1.499 478 HA ASP 76 HA ASP 76 1.428 7.325 0.138 479 1HB ASP 76 2HB ASP 76 -1.411 8.057 -0.660 480 2HB ASP 76 1HB ASP 76 -0.913 7.402 0.894 481 H ARG 77 H ARG 77 1.911 5.192 -0.175 482 HA ARG 77 HA ARG 77 -0.263 3.420 -1.060 483 1HB ARG 77 2HB ARG 77 1.296 4.199 -3.090 484 2HB ARG 77 1HB ARG 77 2.362 2.945 -2.466 485 1HG ARG 77 2HG ARG 77 0.703 1.265 -2.689 486 2HG ARG 77 1HG ARG 77 -0.556 2.448 -3.036 487 1HD ARG 77 2HD ARG 77 1.881 2.392 -4.808 488 2HD ARG 77 1HD ARG 77 0.688 1.102 -4.978 489 HE ARG 77 HE ARG 77 0.392 3.811 -5.788 490 1HH1 ARG 77 1HH1 ARG 77 -1.529 1.026 -5.454 491 2HH1 ARG 77 2HH1 ARG 77 -2.949 1.887 -4.990 492 1HH2 ARG 77 1HH2 ARG 77 -1.453 5.003 -4.962 493 2HH2 ARG 77 2HH2 ARG 77 -2.925 4.121 -4.794 494 H VAL 78 H VAL 78 -0.256 2.050 0.642 495 HA VAL 78 HA VAL 78 2.290 1.376 2.007 496 HB VAL 78 HB VAL 78 0.386 1.937 3.422 497 1HG1 VAL 78 1HG1 VAL 78 -1.602 0.442 3.435 498 2HG1 VAL 78 2HG1 VAL 78 -0.975 -0.403 2.028 499 3HG1 VAL 78 3HG1 VAL 78 -1.434 1.293 1.914 500 1HG2 VAL 78 1HG2 VAL 78 2.030 0.122 4.105 501 2HG2 VAL 78 2HG2 VAL 78 0.838 -1.061 3.596 502 3HG2 VAL 78 3HG2 VAL 78 0.472 0.064 4.892 503 H VAL 79 H VAL 79 2.947 -0.869 2.324 504 HA VAL 79 HA VAL 79 1.823 -2.713 0.242 505 HB VAL 79 HB VAL 79 4.660 -2.540 1.239 506 1HG1 VAL 79 1HG1 VAL 79 4.205 -4.834 0.595 507 2HG1 VAL 79 2HG1 VAL 79 5.033 -4.086 -0.746 508 3HG1 VAL 79 3HG1 VAL 79 3.290 -4.285 -0.811 509 1HG2 VAL 79 1HG2 VAL 79 3.425 -1.692 -1.369 510 2HG2 VAL 79 2HG2 VAL 79 5.159 -1.790 -1.057 511 3HG2 VAL 79 3HG2 VAL 79 4.168 -0.646 -0.154 512 H PHE 80 H PHE 80 2.189 -5.022 0.767 513 HA PHE 80 HA PHE 80 2.664 -5.765 3.514 514 1HB PHE 80 2HB PHE 80 0.304 -6.457 3.954 515 2HB PHE 80 1HB PHE 80 0.500 -4.729 3.753 516 HD1 PHE 80 1HD PHE 80 -1.241 -7.611 2.626 517 HD2 PHE 80 2HD PHE 80 0.070 -3.720 1.375 518 HE1 PHE 80 1HE PHE 80 -2.893 -7.629 0.783 519 HE2 PHE 80 2HE PHE 80 -1.550 -3.755 -0.464 520 HZ PHE 80 HZ PHE 80 -3.065 -5.693 -0.761 521 H ASN 81 H ASN 81 1.594 -8.158 3.731 522 HA ASN 81 HA ASN 81 2.161 -9.560 1.148 523 1HB ASN 81 2HB ASN 81 3.787 -10.762 2.101 524 2HB ASN 81 1HB ASN 81 3.680 -9.682 3.461 525 1HD2 ASN 81 1HD2 ASN 81 2.464 -10.403 5.346 526 2HD2 ASN 81 2HD2 ASN 81 2.080 -12.070 5.543 527 H GLU 82 H GLU 82 0.380 -9.610 4.204 528 HA GLU 82 HA GLU 82 -2.069 -10.397 3.270 529 1HB GLU 82 2HB GLU 82 -0.136 -12.674 3.271 530 2HB GLU 82 1HB GLU 82 -1.680 -13.018 4.029 531 1HG GLU 82 2HG GLU 82 -2.854 -12.936 2.154 532 2HG GLU 82 1HG GLU 82 -1.959 -11.593 1.440 533 H ASN 83 H ASN 83 0.367 -10.794 5.739 534 HA ASN 83 HA ASN 83 -1.707 -11.195 7.803 535 1HB ASN 83 2HB ASN 83 0.802 -12.317 7.530 536 2HB ASN 83 1HB ASN 83 1.126 -11.002 8.650 537 1HD2 ASN 83 1HD2 ASN 83 0.320 -14.173 8.647 538 2HD2 ASN 83 2HD2 ASN 83 -0.554 -14.222 10.135 539 H ASN 84 H ASN 84 -1.009 -8.625 6.227 540 HA ASN 84 HA ASN 84 -0.774 -6.397 6.631 541 1HB ASN 84 2HB ASN 84 -2.109 -5.530 8.381 542 2HB ASN 84 1HB ASN 84 -2.855 -7.091 8.027 543 1HD2 ASN 84 1HD2 ASN 84 -3.124 -8.448 9.781 544 2HD2 ASN 84 2HD2 ASN 84 -2.288 -8.267 11.283 545 H GLN 85 H GLN 85 1.461 -8.234 7.449 546 HA GLN 85 HA GLN 85 2.729 -7.324 9.824 547 1HB GLN 85 2HB GLN 85 4.448 -7.797 7.423 548 2HB GLN 85 1HB GLN 85 4.633 -8.381 9.071 549 1HG GLN 85 2HG GLN 85 2.508 -9.791 8.571 550 2HG GLN 85 1HG GLN 85 2.885 -9.452 6.880 551 1HE2 GLN 85 1HE2 GLN 85 4.925 -10.262 9.733 552 2HE2 GLN 85 2HE2 GLN 85 5.727 -11.555 8.925 553 H LEU 86 H LEU 86 2.418 -5.977 6.601 554 HA LEU 86 HA LEU 86 2.528 -3.768 5.994 555 1HB LEU 86 2HB LEU 86 2.429 -3.369 8.634 556 2HB LEU 86 1HB LEU 86 4.141 -2.978 8.430 557 HG LEU 86 HG LEU 86 3.005 -0.914 8.182 558 1HD1 LEU 86 1HD1 LEU 86 4.698 -1.502 6.384 559 2HD1 LEU 86 2HD1 LEU 86 3.536 -0.263 5.974 560 3HD1 LEU 86 3HD1 LEU 86 3.327 -1.872 5.320 561 1HD2 LEU 86 1HD2 LEU 86 0.750 -2.163 7.783 562 2HD2 LEU 86 2HD2 LEU 86 1.202 -2.071 6.079 563 3HD2 LEU 86 3HD2 LEU 86 0.998 -0.596 7.011 564 H ALA 87 H ALA 87 3.922 -3.898 4.293 565 HA ALA 87 HA ALA 87 6.744 -4.568 4.569 566 1HB ALA 87 1HB ALA 87 6.558 -4.869 2.364 567 2HB ALA 87 2HB ALA 87 6.137 -3.184 2.108 568 3HB ALA 87 3HB ALA 87 4.896 -4.365 2.452 569 H GLY 88 H GLY 88 4.887 -1.626 3.935 570 1HA GLY 88 2HA GLY 88 6.395 0.152 5.462 571 2HA GLY 88 1HA GLY 88 7.209 0.111 3.899 572 H VAL 89 H VAL 89 6.563 2.344 3.515 573 HA VAL 89 HA VAL 89 3.748 2.509 2.524 574 HB VAL 89 HB VAL 89 5.122 4.426 4.393 575 1HG1 VAL 89 1HG1 VAL 89 4.241 5.931 2.853 576 2HG1 VAL 89 2HG1 VAL 89 2.914 5.769 3.961 577 3HG1 VAL 89 3HG1 VAL 89 2.890 4.898 2.431 578 1HG2 VAL 89 1HG2 VAL 89 3.806 2.690 5.493 579 2HG2 VAL 89 2HG2 VAL 89 2.493 2.933 4.387 580 3HG2 VAL 89 3HG2 VAL 89 2.856 4.164 5.549 581 H ILE 90 H ILE 90 4.836 2.186 0.463 582 HA ILE 90 HA ILE 90 6.717 4.247 -0.451 583 HB ILE 90 HB ILE 90 6.713 3.080 -2.513 584 1HG1 ILE 90 2HG1 ILE 90 4.075 2.045 -1.525 585 2HG1 ILE 90 1HG1 ILE 90 4.525 2.512 -3.152 586 1HG2 ILE 90 1HG2 ILE 90 6.424 1.006 -0.324 587 2HG2 ILE 90 2HG2 ILE 90 7.816 2.065 -0.502 588 3HG2 ILE 90 3HG2 ILE 90 7.442 0.912 -1.766 589 1HD1 ILE 90 1HD1 ILE 90 5.498 -0.003 -1.797 590 2HD1 ILE 90 2HD1 ILE 90 5.697 0.441 -3.457 591 3HD1 ILE 90 3HD1 ILE 90 4.104 0.070 -2.841 592 H THR 91 H THR 91 6.188 5.823 -2.106 593 HA THR 91 HA THR 91 3.259 6.448 -2.189 594 HB THR 91 HB THR 91 4.325 8.173 -0.958 595 HG1 THR 91 1HG THR 91 4.198 9.948 -2.454 596 1HG2 THR 91 1HG2 THR 91 6.474 8.029 -3.079 597 2HG2 THR 91 2HG2 THR 91 6.639 7.706 -1.353 598 3HG2 THR 91 3HG2 THR 91 6.346 9.340 -1.919 599 H HIS 92 H HIS 92 2.327 6.808 -4.134 600 HA HIS 92 HA HIS 92 3.865 6.306 -6.567 601 1HB HIS 92 2HB HIS 92 1.128 5.996 -5.738 602 2HB HIS 92 1HB HIS 92 1.132 7.068 -7.133 603 HD1 HIS 92 1HD HIS 92 3.673 4.311 -6.686 604 HD2 HIS 92 2HD HIS 92 0.251 5.127 -8.931 605 HE1 HIS 92 1HE HIS 92 3.585 2.604 -8.526 606 HE2 HIS 92 2HE HIS 92 1.329 2.856 -9.620 607 H THR 93 H THR 93 4.994 8.484 -5.754 608 HA THR 93 HA THR 93 4.408 10.468 -7.725 609 HB THR 93 HB THR 93 3.330 10.978 -4.959 610 HG1 THR 93 1HG THR 93 1.477 11.502 -6.154 611 1HG2 THR 93 1HG2 THR 93 4.304 12.957 -7.004 612 2HG2 THR 93 2HG2 THR 93 4.550 12.945 -5.253 613 3HG2 THR 93 3HG2 THR 93 2.975 13.352 -5.918 614 H GLY 94 H GLY 94 5.903 9.674 -4.617 615 1HA GLY 94 2HA GLY 94 7.713 11.806 -4.388 616 2HA GLY 94 1HA GLY 94 8.027 10.169 -3.811 617 H ALA 95 H ALA 95 7.598 9.311 -6.798 618 HA ALA 95 HA ALA 95 10.332 10.110 -7.718 619 1HB ALA 95 1HB ALA 95 10.723 7.908 -7.412 620 2HB ALA 95 2HB ALA 95 9.878 7.714 -8.942 621 3HB ALA 95 3HB ALA 95 9.019 7.494 -7.413 622 H SER 96 H SER 96 10.507 9.640 -10.183 623 HA SER 96 HA SER 96 9.024 11.390 -11.674 624 1HB SER 96 2HB SER 96 10.949 9.754 -12.382 625 2HB SER 96 1HB SER 96 9.637 8.693 -12.906 626 HG SER 96 HG SER 96 9.000 10.198 -14.370 627 H GLY 97 H GLY 97 6.882 11.551 -12.274 628 1HA GLY 97 2HA GLY 97 4.646 10.937 -12.603 629 2HA GLY 97 1HA GLY 97 5.226 9.308 -12.962 630 H ASN 98 H ASN 98 5.451 7.799 -11.198 631 HA ASN 98 HA ASN 98 4.384 8.695 -8.609 632 1HB ASN 98 2HB ASN 98 3.352 6.095 -9.088 633 2HB ASN 98 1HB ASN 98 2.422 7.556 -8.862 634 1HD2 ASN 98 1HD2 ASN 98 1.201 8.192 -10.590 635 2HD2 ASN 98 2HD2 ASN 98 1.467 7.642 -12.206 636 H ASN 99 H ASN 99 5.391 5.628 -10.147 637 HA ASN 99 HA ASN 99 6.780 3.970 -9.295 638 1HB ASN 99 2HB ASN 99 8.211 6.459 -9.482 639 2HB ASN 99 1HB ASN 99 8.778 5.635 -8.028 640 1HD2 ASN 99 1HD2 ASN 99 10.842 5.298 -9.149 641 2HD2 ASN 99 2HD2 ASN 99 10.956 4.019 -10.305 642 H PHE 100 H PHE 100 8.341 3.672 -7.059 643 HA PHE 100 HA PHE 100 6.524 4.395 -4.791 644 1HB PHE 100 2HB PHE 100 7.860 1.730 -4.624 645 2HB PHE 100 1HB PHE 100 6.285 2.266 -4.141 646 HD1 PHE 100 1HD PHE 100 8.196 1.694 -7.268 647 HD2 PHE 100 2HD PHE 100 4.415 1.512 -5.233 648 HE1 PHE 100 1HE PHE 100 7.164 0.673 -9.273 649 HE2 PHE 100 2HE PHE 100 3.390 0.471 -7.234 650 HZ PHE 100 HZ PHE 100 4.764 0.050 -9.252 651 H VAL 101 H VAL 101 7.609 5.193 -3.077 652 HA VAL 101 HA VAL 101 10.439 4.499 -2.641 653 HB VAL 101 HB VAL 101 10.809 7.073 -2.269 654 1HG1 VAL 101 1HG1 VAL 101 10.607 5.923 -5.072 655 2HG1 VAL 101 2HG1 VAL 101 11.951 5.636 -3.965 656 3HG1 VAL 101 3HG1 VAL 101 11.621 7.265 -4.547 657 1HG2 VAL 101 1HG2 VAL 101 8.539 7.040 -4.304 658 2HG2 VAL 101 2HG2 VAL 101 9.483 8.438 -3.798 659 3HG2 VAL 101 3HG2 VAL 101 8.446 7.628 -2.648 660 H GLU 102 H GLU 102 10.796 4.252 -0.485 661 HA GLU 102 HA GLU 102 8.762 4.293 1.414 662 1HB GLU 102 2HB GLU 102 10.608 4.391 3.138 663 2HB GLU 102 1HB GLU 102 10.856 3.164 1.887 664 1HG GLU 102 2HG GLU 102 12.407 4.585 0.691 665 2HG GLU 102 1HG GLU 102 12.088 5.929 1.769 666 H CYS 103 H CYS 103 7.807 5.886 2.636 667 HA CYS 103 HA CYS 103 8.243 8.634 1.945 668 1HB CYS 103 2HB CYS 103 6.661 7.180 4.075 669 2HB CYS 103 1HB CYS 103 6.815 8.932 4.175 670 H THR 104 H THR 104 9.201 10.333 3.157 671 HA THR 104 HA THR 104 10.894 9.468 5.474 672 HB THR 104 HB THR 104 12.825 10.601 4.567 673 HG1 THR 104 1HG THR 104 11.117 11.373 2.396 674 1HG2 THR 104 1HG2 THR 104 13.306 9.262 2.637 675 2HG2 THR 104 2HG2 THR 104 11.597 9.057 2.274 676 3HG2 THR 104 3HG2 THR 104 12.295 8.284 3.701 Start of MODEL 11 1 1H ALA 1 1HT ALA 1 -1.624 12.507 15.312 2 2H ALA 1 2HT ALA 1 0.042 12.930 15.300 3 3H ALA 1 3HT ALA 1 -0.819 12.891 16.780 4 HA ALA 1 HA ALA 1 0.585 10.975 16.573 5 1HB ALA 1 1HB ALA 1 -2.369 10.368 16.267 6 2HB ALA 1 2HB ALA 1 -1.545 10.777 17.770 7 3HB ALA 1 3HB ALA 1 -1.159 9.270 16.939 8 H CYS 2 H CYS 2 1.680 9.793 15.059 9 HA CYS 2 HA CYS 2 0.666 8.197 13.102 10 1HB CYS 2 2HB CYS 2 1.059 9.716 11.015 11 2HB CYS 2 1HB CYS 2 -0.451 9.876 11.913 12 H ASP 3 H ASP 3 2.345 7.133 11.978 13 HA ASP 3 HA ASP 3 5.073 8.176 12.603 14 1HB ASP 3 2HB ASP 3 4.506 5.897 13.427 15 2HB ASP 3 1HB ASP 3 4.218 5.381 11.760 16 H TYR 4 H TYR 4 3.079 6.838 9.952 17 HA TYR 4 HA TYR 4 5.221 7.361 8.004 18 1HB TYR 4 2HB TYR 4 2.385 6.295 7.846 19 2HB TYR 4 1HB TYR 4 3.271 6.736 6.378 20 HD1 TYR 4 1HD TYR 4 2.633 4.107 8.636 21 HD2 TYR 4 2HD TYR 4 5.753 5.837 6.248 22 HE1 TYR 4 1HE TYR 4 3.857 1.950 8.673 23 HE2 TYR 4 2HE TYR 4 6.976 3.682 6.279 24 HH TYR 4 HH TYR 4 6.766 1.452 8.254 25 H THR 5 H THR 5 5.467 9.245 6.897 26 HA THR 5 HA THR 5 3.123 11.091 6.691 27 HB THR 5 HB THR 5 5.872 12.229 7.253 28 HG1 THR 5 1HG THR 5 5.633 11.914 9.396 29 1HG2 THR 5 1HG2 THR 5 3.171 13.158 8.201 30 2HG2 THR 5 2HG2 THR 5 3.761 13.563 6.587 31 3HG2 THR 5 3HG2 THR 5 4.652 14.090 8.013 32 H CYS 6 H CYS 6 2.838 11.198 4.499 33 HA CYS 6 HA CYS 6 5.278 11.332 2.772 34 1HB CYS 6 2HB CYS 6 2.405 10.553 2.199 35 2HB CYS 6 1HB CYS 6 3.632 10.773 0.933 36 H GLY 7 H GLY 7 3.614 13.450 4.318 37 1HA GLY 7 2HA GLY 7 4.128 15.777 3.460 38 2HA GLY 7 1HA GLY 7 3.244 15.322 2.008 39 H SER 8 H SER 8 2.942 16.245 5.367 40 HA SER 8 HA SER 8 1.081 16.863 6.617 41 1HB SER 8 2HB SER 8 0.886 18.081 4.099 42 2HB SER 8 1HB SER 8 -0.724 17.411 4.356 43 HG SER 8 HG SER 8 0.691 19.298 5.892 44 H ASN 9 H ASN 9 1.316 14.032 5.674 45 HA ASN 9 HA ASN 9 -1.532 13.259 5.331 46 1HB ASN 9 2HB ASN 9 1.122 11.971 4.895 47 2HB ASN 9 1HB ASN 9 -0.181 10.896 5.401 48 1HD2 ASN 9 1HD2 ASN 9 1.136 12.583 2.722 49 2HD2 ASN 9 2HD2 ASN 9 -0.170 12.261 1.636 50 H CYS 10 H CYS 10 1.193 12.774 7.597 51 HA CYS 10 HA CYS 10 1.191 11.993 9.752 52 1HB CYS 10 2HB CYS 10 0.031 14.142 10.127 53 2HB CYS 10 1HB CYS 10 -1.525 13.382 9.761 54 H TYR 11 H TYR 11 0.547 9.976 8.067 55 HA TYR 11 HA TYR 11 -1.978 8.698 8.960 56 1HB TYR 11 2HB TYR 11 0.195 7.993 6.959 57 2HB TYR 11 1HB TYR 11 -1.027 6.802 7.437 58 HD1 TYR 11 1HD TYR 11 -1.609 6.846 4.960 59 HD2 TYR 11 2HD TYR 11 -2.212 10.209 7.547 60 HE1 TYR 11 1HE TYR 11 -3.212 7.828 3.346 61 HE2 TYR 11 2HE TYR 11 -3.769 11.200 5.957 62 HH TYR 11 HH TYR 11 -4.017 10.659 3.009 63 H SER 12 H SER 12 -2.034 7.495 10.766 64 HA SER 12 HA SER 12 0.488 6.632 12.012 65 1HB SER 12 2HB SER 12 -1.188 7.486 13.524 66 2HB SER 12 1HB SER 12 -2.406 6.406 12.848 67 HG SER 12 HG SER 12 -1.351 5.719 14.876 68 H SER 13 H SER 13 1.406 4.722 11.440 69 HA SER 13 HA SER 13 0.463 2.827 9.721 70 1HB SER 13 2HB SER 13 1.821 1.117 11.116 71 2HB SER 13 1HB SER 13 2.658 2.515 10.433 72 HG SER 13 HG SER 13 3.181 2.314 12.619 73 H SER 14 H SER 14 -0.601 3.298 13.024 74 HA SER 14 HA SER 14 -1.857 0.790 13.436 75 1HB SER 14 2HB SER 14 -1.722 3.311 14.789 76 2HB SER 14 1HB SER 14 -3.428 2.889 14.652 77 HG SER 14 HG SER 14 -1.339 1.476 15.903 78 H ASP 15 H ASP 15 -3.285 3.872 12.275 79 HA ASP 15 HA ASP 15 -5.778 2.581 11.524 80 1HB ASP 15 2HB ASP 15 -4.525 5.287 11.224 81 2HB ASP 15 1HB ASP 15 -5.713 4.861 9.990 82 H VAL 16 H VAL 16 -2.677 3.043 10.070 83 HA VAL 16 HA VAL 16 -3.468 2.573 7.348 84 HB VAL 16 HB VAL 16 -0.791 1.930 8.620 85 1HG1 VAL 16 1HG1 VAL 16 -1.579 2.688 5.805 86 2HG1 VAL 16 2HG1 VAL 16 -1.158 1.113 6.376 87 3HG1 VAL 16 3HG1 VAL 16 0.058 2.357 6.357 88 1HG2 VAL 16 1HG2 VAL 16 -0.154 4.191 8.326 89 2HG2 VAL 16 2HG2 VAL 16 -1.755 4.340 9.001 90 3HG2 VAL 16 3HG2 VAL 16 -1.524 4.536 7.293 91 H SER 17 H SER 17 -2.917 0.560 10.148 92 HA SER 17 HA SER 17 -2.499 -1.934 8.832 93 1HB SER 17 2HB SER 17 -2.737 -1.036 11.505 94 2HB SER 17 1HB SER 17 -3.980 -2.269 11.302 95 HG SER 17 HG SER 17 -1.851 -3.052 11.896 96 H THR 18 H THR 18 -5.423 -0.254 10.005 97 HA THR 18 HA THR 18 -7.304 -2.260 9.264 98 HB THR 18 HB THR 18 -7.806 0.744 9.074 99 HG1 THR 18 1HG THR 18 -7.089 0.715 11.083 100 1HG2 THR 18 1HG2 THR 18 -9.629 -0.741 8.348 101 2HG2 THR 18 2HG2 THR 18 -10.043 0.094 9.844 102 3HG2 THR 18 3HG2 THR 18 -9.552 -1.598 9.890 103 H ALA 19 H ALA 19 -6.135 0.615 7.496 104 HA ALA 19 HA ALA 19 -7.483 -0.029 5.030 105 1HB ALA 19 1HB ALA 19 -6.742 2.201 5.213 106 2HB ALA 19 2HB ALA 19 -5.589 1.496 4.078 107 3HB ALA 19 3HB ALA 19 -5.151 1.709 5.781 108 H GLN 20 H GLN 20 -4.740 -1.314 6.638 109 HA GLN 20 HA GLN 20 -3.444 -2.399 4.268 110 1HB GLN 20 2HB GLN 20 -2.791 -2.043 7.045 111 2HB GLN 20 1HB GLN 20 -2.595 -3.730 6.679 112 1HG GLN 20 2HG GLN 20 -0.531 -2.512 6.295 113 2HG GLN 20 1HG GLN 20 -1.174 -3.122 4.770 114 1HE2 GLN 20 1HE2 GLN 20 0.453 -0.589 5.617 115 2HE2 GLN 20 2HE2 GLN 20 -0.404 0.670 4.881 116 H ALA 21 H ALA 21 -5.889 -3.374 6.536 117 HA ALA 21 HA ALA 21 -5.729 -6.201 5.726 118 1HB ALA 21 1HB ALA 21 -7.675 -6.474 7.212 119 2HB ALA 21 2HB ALA 21 -7.755 -4.725 7.438 120 3HB ALA 21 3HB ALA 21 -6.362 -5.629 8.031 121 H ALA 22 H ALA 22 -7.007 -3.329 4.453 122 HA ALA 22 HA ALA 22 -9.399 -4.547 3.259 123 1HB ALA 22 1HB ALA 22 -9.438 -2.180 3.868 124 2HB ALA 22 2HB ALA 22 -9.601 -2.354 2.124 125 3HB ALA 22 3HB ALA 22 -8.059 -1.858 2.821 126 H GLY 23 H GLY 23 -6.472 -2.944 1.870 127 1HA GLY 23 2HA GLY 23 -6.729 -3.966 -0.734 128 2HA GLY 23 1HA GLY 23 -5.182 -3.614 0.034 129 H TYR 24 H TYR 24 -5.608 -5.537 2.215 130 HA TYR 24 HA TYR 24 -4.531 -7.858 0.865 131 1HB TYR 24 2HB TYR 24 -3.713 -7.453 3.074 132 2HB TYR 24 1HB TYR 24 -5.351 -7.275 3.726 133 HD1 TYR 24 1HD TYR 24 -5.323 -8.992 5.382 134 HD2 TYR 24 2HD TYR 24 -4.205 -9.888 1.328 135 HE1 TYR 24 1HE TYR 24 -5.372 -11.417 5.898 136 HE2 TYR 24 2HE TYR 24 -4.261 -12.298 1.838 137 HH TYR 24 HH TYR 24 -3.973 -13.651 4.471 138 H GLN 25 H GLN 25 -7.500 -7.340 2.808 139 HA GLN 25 HA GLN 25 -8.714 -9.823 2.298 140 1HB GLN 25 2HB GLN 25 -9.560 -8.057 3.863 141 2HB GLN 25 1HB GLN 25 -10.149 -7.132 2.485 142 1HG GLN 25 2HG GLN 25 -11.191 -9.675 2.045 143 2HG GLN 25 1HG GLN 25 -11.263 -9.507 3.794 144 1HE2 GLN 25 1HE2 GLN 25 -12.963 -8.297 4.608 145 2HE2 GLN 25 2HE2 GLN 25 -13.961 -7.271 3.641 146 H LEU 26 H LEU 26 -9.613 -6.794 0.594 147 HA LEU 26 HA LEU 26 -11.046 -7.880 -1.473 148 1HB LEU 26 2HB LEU 26 -9.954 -5.375 -0.929 149 2HB LEU 26 1HB LEU 26 -9.127 -5.822 -2.418 150 HG LEU 26 HG LEU 26 -11.250 -6.181 -3.556 151 1HD1 LEU 26 1HD1 LEU 26 -13.361 -5.510 -2.248 152 2HD1 LEU 26 2HD1 LEU 26 -12.389 -5.718 -0.794 153 3HD1 LEU 26 3HD1 LEU 26 -12.670 -7.077 -1.875 154 1HD2 LEU 26 1HD2 LEU 26 -12.131 -3.887 -3.488 155 2HD2 LEU 26 2HD2 LEU 26 -10.369 -3.878 -3.477 156 3HD2 LEU 26 3HD2 LEU 26 -11.260 -3.588 -1.982 157 H HIS 27 H HIS 27 -7.525 -7.823 -1.191 158 HA HIS 27 HA HIS 27 -6.943 -8.732 -3.818 159 1HB HIS 27 2HB HIS 27 -5.130 -7.946 -2.429 160 2HB HIS 27 1HB HIS 27 -5.457 -9.168 -1.210 161 HD1 HIS 27 1HD HIS 27 -5.451 -9.921 -4.898 162 HD2 HIS 27 2HD HIS 27 -3.053 -10.565 -1.545 163 HE1 HIS 27 1HE HIS 27 -3.687 -11.579 -5.595 164 HE2 HIS 27 2HE HIS 27 -2.534 -12.245 -3.460 165 H GLU 28 H GLU 28 -7.295 -10.633 -0.802 166 HA GLU 28 HA GLU 28 -7.317 -13.136 -2.369 167 1HB GLU 28 2HB GLU 28 -6.532 -12.467 0.226 168 2HB GLU 28 1HB GLU 28 -8.056 -13.328 0.481 169 1HG GLU 28 2HG GLU 28 -7.065 -15.079 -1.191 170 2HG GLU 28 1HG GLU 28 -5.519 -14.291 -0.824 171 H ASP 29 H ASP 29 -9.623 -10.874 -1.984 172 HA ASP 29 HA ASP 29 -11.811 -12.766 -1.360 173 1HB ASP 29 2HB ASP 29 -11.397 -9.924 -0.988 174 2HB ASP 29 1HB ASP 29 -12.839 -10.173 -1.957 175 H GLY 30 H GLY 30 -10.210 -11.312 -4.051 176 1HA GLY 30 2HA GLY 30 -10.592 -11.829 -6.314 177 2HA GLY 30 1HA GLY 30 -12.104 -12.626 -5.882 178 H GLU 31 H GLU 31 -12.449 -9.870 -4.238 179 HA GLU 31 HA GLU 31 -14.037 -8.643 -6.358 180 1HB GLU 31 2HB GLU 31 -15.062 -8.764 -4.171 181 2HB GLU 31 1HB GLU 31 -13.648 -8.038 -3.419 182 1HG GLU 31 2HG GLU 31 -15.387 -6.391 -3.587 183 2HG GLU 31 1HG GLU 31 -14.107 -5.909 -4.671 184 H THR 32 H THR 32 -13.828 -6.239 -6.706 185 HA THR 32 HA THR 32 -11.026 -5.294 -6.353 186 HB THR 32 HB THR 32 -11.904 -4.108 -8.716 187 HG1 THR 32 1HG THR 32 -13.013 -5.610 -9.850 188 1HG2 THR 32 1HG2 THR 32 -9.710 -5.292 -8.103 189 2HG2 THR 32 2HG2 THR 32 -10.293 -5.459 -9.763 190 3HG2 THR 32 3HG2 THR 32 -10.504 -6.767 -8.628 191 H VAL 33 H VAL 33 -10.933 -2.870 -6.809 192 HA VAL 33 HA VAL 33 -12.920 -1.579 -5.064 193 HB VAL 33 HB VAL 33 -11.519 0.426 -5.397 194 1HG1 VAL 33 1HG1 VAL 33 -9.418 -0.501 -4.445 195 2HG1 VAL 33 2HG1 VAL 33 -9.920 -2.111 -4.935 196 3HG1 VAL 33 3HG1 VAL 33 -10.837 -1.237 -3.710 197 1HG2 VAL 33 1HG2 VAL 33 -10.965 0.006 -7.792 198 2HG2 VAL 33 2HG2 VAL 33 -9.917 -1.295 -7.290 199 3HG2 VAL 33 3HG2 VAL 33 -9.558 0.344 -6.829 200 H GLY 34 H GLY 34 -13.957 0.529 -5.833 201 1HA GLY 34 2HA GLY 34 -15.624 0.111 -8.061 202 2HA GLY 34 1HA GLY 34 -15.293 1.699 -7.363 203 H SER 35 H SER 35 -12.373 1.461 -7.887 204 HA SER 35 HA SER 35 -12.391 2.541 -10.571 205 1HB SER 35 2HB SER 35 -10.764 2.919 -8.476 206 2HB SER 35 1HB SER 35 -9.809 1.698 -9.277 207 HG SER 35 HG SER 35 -9.284 3.787 -10.035 208 H ASN 36 H ASN 36 -9.697 1.175 -11.192 209 HA ASN 36 HA ASN 36 -10.918 -1.277 -12.371 210 1HB ASN 36 2HB ASN 36 -8.744 0.623 -13.170 211 2HB ASN 36 1HB ASN 36 -8.533 -1.067 -13.637 212 1HD2 ASN 36 1HD2 ASN 36 -10.356 -2.081 -14.859 213 2HD2 ASN 36 2HD2 ASN 36 -11.298 -1.051 -15.878 214 H SER 37 H SER 37 -10.563 -1.908 -9.865 215 HA SER 37 HA SER 37 -9.484 -3.475 -8.539 216 1HB SER 37 2HB SER 37 -8.983 -4.524 -10.883 217 2HB SER 37 1HB SER 37 -7.381 -3.824 -10.694 218 HG SER 37 HG SER 37 -7.620 -6.019 -9.899 219 H TYR 38 H TYR 38 -6.834 -3.965 -8.014 220 HA TYR 38 HA TYR 38 -4.988 -1.988 -8.152 221 1HB TYR 38 2HB TYR 38 -7.213 -1.010 -6.549 222 2HB TYR 38 1HB TYR 38 -5.738 -1.052 -5.601 223 HD1 TYR 38 1HD TYR 38 -7.495 1.021 -7.675 224 HD2 TYR 38 2HD TYR 38 -3.535 -0.477 -7.096 225 HE1 TYR 38 1HE TYR 38 -6.582 3.013 -8.847 226 HE2 TYR 38 2HE TYR 38 -2.606 1.499 -8.267 227 HH TYR 38 HH TYR 38 -3.894 3.284 -10.213 228 HA PRO 39 HA PRO 39 -4.124 -4.387 -4.113 229 1HB PRO 39 2HB PRO 39 -5.895 -6.372 -3.463 230 2HB PRO 39 1HB PRO 39 -5.970 -4.728 -2.850 231 1HG PRO 39 2HG PRO 39 -7.681 -6.043 -4.916 232 2HG PRO 39 1HG PRO 39 -8.072 -4.707 -3.823 233 1HD PRO 39 2HD PRO 39 -7.419 -4.503 -6.527 234 2HD PRO 39 1HD PRO 39 -7.487 -3.144 -5.399 235 H HIS 40 H HIS 40 -2.450 -5.266 -5.324 236 HA HIS 40 HA HIS 40 -2.771 -8.125 -6.058 237 1HB HIS 40 2HB HIS 40 -1.096 -6.908 -8.084 238 2HB HIS 40 1HB HIS 40 -2.593 -7.826 -8.284 239 HD1 HIS 40 1HD HIS 40 -4.769 -6.550 -8.560 240 HD2 HIS 40 2HD HIS 40 -1.453 -4.100 -8.172 241 HE1 HIS 40 1HE HIS 40 -5.474 -4.267 -9.315 242 HE2 HIS 40 2HE HIS 40 -3.427 -2.828 -9.259 243 H LYS 41 H LYS 41 -0.426 -8.939 -6.744 244 HA LYS 41 HA LYS 41 1.222 -8.612 -4.476 245 1HB LYS 41 2HB LYS 41 2.784 -10.012 -5.532 246 2HB LYS 41 1HB LYS 41 1.239 -10.491 -6.250 247 1HG LYS 41 2HG LYS 41 1.678 -8.971 -8.169 248 2HG LYS 41 1HG LYS 41 3.241 -8.563 -7.463 249 1HD LYS 41 2HD LYS 41 3.944 -10.220 -8.835 250 2HD LYS 41 1HD LYS 41 3.568 -11.199 -7.414 251 1HE LYS 41 2HE LYS 41 1.925 -12.282 -8.487 252 2HE LYS 41 1HE LYS 41 1.192 -10.789 -9.083 253 1HZ LYS 41 1HZ LYS 41 3.531 -12.184 -10.288 254 2HZ LYS 41 2HZ LYS 41 2.865 -10.730 -10.849 255 3HZ LYS 41 3HZ LYS 41 1.957 -12.154 -10.904 256 H TYR 42 H TYR 42 3.452 -7.698 -4.414 257 HA TYR 42 HA TYR 42 3.816 -5.352 -6.222 258 1HB TYR 42 2HB TYR 42 2.904 -4.375 -4.279 259 2HB TYR 42 1HB TYR 42 3.801 -5.388 -3.204 260 HD1 TYR 42 1HD TYR 42 5.891 -4.624 -2.366 261 HD2 TYR 42 2HD TYR 42 4.162 -2.761 -5.807 262 HE1 TYR 42 1HE TYR 42 7.641 -2.905 -2.271 263 HE2 TYR 42 2HE TYR 42 5.904 -1.032 -5.690 264 HH TYR 42 HH TYR 42 8.634 -1.158 -4.455 265 H ASN 43 H ASN 43 5.260 -7.229 -7.066 266 HA ASN 43 HA ASN 43 7.713 -7.675 -5.486 267 1HB ASN 43 2HB ASN 43 7.075 -8.526 -8.337 268 2HB ASN 43 1HB ASN 43 8.366 -9.156 -7.302 269 1HD2 ASN 43 1HD2 ASN 43 7.541 -11.314 -7.241 270 2HD2 ASN 43 2HD2 ASN 43 6.059 -11.687 -6.435 271 H ASN 44 H ASN 44 7.801 -5.106 -5.668 272 HA ASN 44 HA ASN 44 9.003 -4.204 -8.217 273 1HB ASN 44 2HB ASN 44 7.876 -2.962 -5.803 274 2HB ASN 44 1HB ASN 44 9.180 -2.050 -6.526 275 1HD2 ASN 44 1HD2 ASN 44 8.957 -1.621 -8.915 276 2HD2 ASN 44 2HD2 ASN 44 7.364 -1.418 -9.543 277 H TYR 45 H TYR 45 10.055 -3.393 -4.893 278 HA TYR 45 HA TYR 45 12.148 -3.665 -3.895 279 1HB TYR 45 2HB TYR 45 13.202 -4.994 -6.422 280 2HB TYR 45 1HB TYR 45 13.730 -5.193 -4.752 281 HD1 TYR 45 1HD TYR 45 12.630 -7.252 -6.950 282 HD2 TYR 45 2HD TYR 45 11.054 -5.424 -3.390 283 HE1 TYR 45 1HE TYR 45 11.101 -9.179 -6.630 284 HE2 TYR 45 2HE TYR 45 9.541 -7.336 -3.083 285 HH TYR 45 HH TYR 45 9.828 -10.162 -4.197 286 H GLU 46 H GLU 46 11.229 -1.485 -5.675 287 HA GLU 46 HA GLU 46 12.899 -0.413 -7.490 288 1HB GLU 46 2HB GLU 46 10.956 0.577 -5.789 289 2HB GLU 46 1HB GLU 46 12.356 1.493 -5.284 290 1HG GLU 46 2HG GLU 46 12.265 1.346 -8.173 291 2HG GLU 46 1HG GLU 46 10.739 1.932 -7.508 292 H GLY 47 H GLY 47 13.496 0.459 -4.063 293 1HA GLY 47 2HA GLY 47 16.349 -0.170 -4.335 294 2HA GLY 47 1HA GLY 47 15.965 1.546 -4.173 295 H PHE 48 H PHE 48 14.393 -1.272 -2.629 296 HA PHE 48 HA PHE 48 15.431 -0.308 0.005 297 1HB PHE 48 2HB PHE 48 12.623 -1.242 0.048 298 2HB PHE 48 1HB PHE 48 13.370 0.128 0.878 299 HD1 PHE 48 1HD PHE 48 11.573 -0.998 -2.095 300 HD2 PHE 48 2HD PHE 48 13.640 2.301 -0.276 301 HE1 PHE 48 1HE PHE 48 10.558 0.548 -3.741 302 HE2 PHE 48 2HE PHE 48 12.632 3.846 -1.934 303 HZ PHE 48 HZ PHE 48 11.113 2.961 -3.676 304 H ASP 49 H ASP 49 14.922 -1.973 1.737 305 HA ASP 49 HA ASP 49 15.184 -4.725 0.554 306 1HB ASP 49 2HB ASP 49 16.225 -3.570 3.168 307 2HB ASP 49 1HB ASP 49 16.340 -5.278 2.714 308 H PHE 50 H PHE 50 13.554 -2.707 2.961 309 HA PHE 50 HA PHE 50 11.674 -3.123 4.264 310 1HB PHE 50 2HB PHE 50 11.238 -5.000 1.905 311 2HB PHE 50 1HB PHE 50 10.046 -4.802 3.199 312 HD1 PHE 50 1HD PHE 50 11.841 -1.752 2.712 313 HD2 PHE 50 2HD PHE 50 8.668 -4.118 1.091 314 HE1 PHE 50 1HE PHE 50 10.966 0.189 1.566 315 HE2 PHE 50 2HE PHE 50 7.740 -2.133 -0.021 316 HZ PHE 50 HZ PHE 50 8.883 0.051 0.228 317 H SER 51 H SER 51 10.396 -5.101 5.309 318 HA SER 51 HA SER 51 12.229 -7.375 5.864 319 1HB SER 51 2HB SER 51 11.563 -5.174 7.765 320 2HB SER 51 1HB SER 51 11.456 -6.803 8.430 321 HG SER 51 HG SER 51 13.567 -7.144 8.004 322 H VAL 52 H VAL 52 9.726 -7.215 4.441 323 HA VAL 52 HA VAL 52 7.864 -8.581 6.364 324 HB VAL 52 HB VAL 52 7.392 -7.078 3.802 325 1HG1 VAL 52 1HG1 VAL 52 5.896 -8.852 3.512 326 2HG1 VAL 52 2HG1 VAL 52 4.917 -7.714 4.406 327 3HG1 VAL 52 3HG1 VAL 52 5.664 -9.073 5.243 328 1HG2 VAL 52 1HG2 VAL 52 6.502 -6.745 6.662 329 2HG2 VAL 52 2HG2 VAL 52 5.782 -5.884 5.321 330 3HG2 VAL 52 3HG2 VAL 52 7.483 -5.636 5.703 331 H SER 53 H SER 53 7.948 -8.767 2.802 332 HA SER 53 HA SER 53 9.076 -11.447 2.818 333 1HB SER 53 2HB SER 53 6.611 -11.644 3.636 334 2HB SER 53 1HB SER 53 6.171 -11.287 1.963 335 HG SER 53 HG SER 53 6.439 -13.570 2.487 336 H SER 54 H SER 54 9.372 -12.248 0.652 337 HA SER 54 HA SER 54 9.974 -10.300 -1.301 338 1HB SER 54 2HB SER 54 9.186 -12.940 -2.422 339 2HB SER 54 1HB SER 54 10.698 -12.054 -2.517 340 HG SER 54 HG SER 54 11.039 -13.869 -1.275 341 HA PRO 55 HA PRO 55 5.802 -11.337 -3.416 342 1HB PRO 55 2HB PRO 55 4.006 -12.847 -2.004 343 2HB PRO 55 1HB PRO 55 5.231 -13.517 -3.076 344 1HG PRO 55 2HG PRO 55 5.185 -13.476 -0.085 345 2HG PRO 55 1HG PRO 55 5.946 -14.646 -1.176 346 1HD PRO 55 2HD PRO 55 7.227 -12.584 0.188 347 2HD PRO 55 1HD PRO 55 7.917 -13.532 -1.098 348 H TYR 56 H TYR 56 5.776 -9.070 -2.791 349 HA TYR 56 HA TYR 56 4.264 -8.271 -0.398 350 1HB TYR 56 2HB TYR 56 5.493 -6.799 -2.721 351 2HB TYR 56 1HB TYR 56 4.521 -5.951 -1.548 352 HD1 TYR 56 1HD TYR 56 7.736 -7.333 -2.254 353 HD2 TYR 56 2HD TYR 56 5.121 -6.077 0.882 354 HE1 TYR 56 1HE TYR 56 9.679 -7.135 -0.721 355 HE2 TYR 56 2HE TYR 56 7.055 -5.874 2.417 356 HH TYR 56 HH TYR 56 9.735 -7.226 2.210 357 H TYR 57 H TYR 57 2.696 -6.235 -1.201 358 HA TYR 57 HA TYR 57 0.995 -6.985 -3.410 359 1HB TYR 57 2HB TYR 57 0.109 -7.227 -0.568 360 2HB TYR 57 1HB TYR 57 -1.065 -7.058 -1.890 361 HD1 TYR 57 1HD TYR 57 1.081 -9.288 -0.073 362 HD2 TYR 57 2HD TYR 57 -1.003 -8.773 -3.746 363 HE1 TYR 57 1HE TYR 57 1.256 -11.730 -0.491 364 HE2 TYR 57 2HE TYR 57 -0.790 -11.189 -4.230 365 HH TYR 57 HH TYR 57 1.183 -13.166 -3.032 366 H GLU 58 H GLU 58 0.926 -5.016 -4.334 367 HA GLU 58 HA GLU 58 1.144 -2.588 -2.755 368 1HB GLU 58 2HB GLU 58 0.738 -1.456 -4.977 369 2HB GLU 58 1HB GLU 58 2.109 -2.554 -4.941 370 1HG GLU 58 2HG GLU 58 1.228 -3.858 -6.518 371 2HG GLU 58 1HG GLU 58 -0.303 -4.023 -5.654 372 H TRP 59 H TRP 59 -0.409 -1.174 -2.139 373 HA TRP 59 HA TRP 59 -3.120 -1.272 -3.204 374 1HB TRP 59 2HB TRP 59 -3.432 -3.073 -1.650 375 2HB TRP 59 1HB TRP 59 -2.464 -2.239 -0.432 376 HD1 TRP 59 HD TRP 59 -3.651 -0.659 1.190 377 HE1 TRP 59 1HE TRP 59 -6.081 0.108 1.514 378 HE3 TRP 59 3HE TRP 59 -5.735 -2.538 -3.092 379 HZ2 TRP 59 2HZ TRP 59 -8.590 -0.060 0.119 380 HZ3 TRP 59 3HZ TRP 59 -8.142 -2.224 -3.544 381 HH2 TRP 59 HH TRP 59 -9.573 -0.992 -1.959 382 HA PRO 60 HA PRO 60 -2.447 2.965 -1.993 383 1HB PRO 60 2HB PRO 60 -5.040 3.851 -2.260 384 2HB PRO 60 1HB PRO 60 -3.925 3.586 -3.598 385 1HG PRO 60 2HG PRO 60 -6.137 1.812 -2.639 386 2HG PRO 60 1HG PRO 60 -5.634 2.120 -4.306 387 1HD PRO 60 2HD PRO 60 -4.988 -0.119 -2.879 388 2HD PRO 60 1HD PRO 60 -3.999 0.477 -4.176 389 H ILE 61 H ILE 61 -2.814 4.323 -0.176 390 HA ILE 61 HA ILE 61 -4.345 3.018 2.043 391 HB ILE 61 HB ILE 61 -2.042 2.805 2.601 392 1HG1 ILE 61 2HG1 ILE 61 -1.833 4.216 4.572 393 2HG1 ILE 61 1HG1 ILE 61 -2.997 5.377 3.945 394 1HG2 ILE 61 1HG2 ILE 61 -1.055 4.269 0.964 395 2HG2 ILE 61 2HG2 ILE 61 -0.511 4.800 2.535 396 3HG2 ILE 61 3HG2 ILE 61 -1.770 5.694 1.699 397 1HD1 ILE 61 1HD1 ILE 61 -3.491 2.529 4.762 398 2HD1 ILE 61 2HD1 ILE 61 -4.699 3.466 3.948 399 3HD1 ILE 61 3HD1 ILE 61 -4.139 3.970 5.510 400 H LEU 62 H LEU 62 -5.746 4.352 3.180 401 HA LEU 62 HA LEU 62 -5.700 7.271 2.528 402 1HB LEU 62 2HB LEU 62 -8.262 5.922 3.307 403 2HB LEU 62 1HB LEU 62 -7.971 7.278 2.207 404 HG LEU 62 HG LEU 62 -7.491 4.333 1.642 405 1HD1 LEU 62 1HD1 LEU 62 -9.800 5.058 1.377 406 2HD1 LEU 62 2HD1 LEU 62 -9.076 4.799 -0.208 407 3HD1 LEU 62 3HD1 LEU 62 -9.288 6.437 0.402 408 1HD2 LEU 62 1HD2 LEU 62 -5.877 4.978 0.217 409 2HD2 LEU 62 2HD2 LEU 62 -6.151 6.696 0.534 410 3HD2 LEU 62 3HD2 LEU 62 -7.080 5.859 -0.675 411 H SER 63 H SER 63 -7.356 8.298 4.328 412 HA SER 63 HA SER 63 -6.770 7.099 6.986 413 1HB SER 63 2HB SER 63 -5.940 9.369 7.783 414 2HB SER 63 1HB SER 63 -4.865 8.512 6.684 415 HG SER 63 HG SER 63 -6.518 10.743 6.169 416 H SER 64 H SER 64 -9.234 7.060 5.987 417 HA SER 64 HA SER 64 -10.693 8.781 7.826 418 1HB SER 64 2HB SER 64 -10.265 9.707 5.103 419 2HB SER 64 1HB SER 64 -11.986 9.462 5.378 420 HG SER 64 HG SER 64 -10.201 11.166 6.725 421 H GLY 65 H GLY 65 -10.414 5.907 7.143 422 1HA GLY 65 2HA GLY 65 -11.754 4.037 6.737 423 2HA GLY 65 1HA GLY 65 -12.999 4.996 7.538 424 H ASP 66 H ASP 66 -11.689 4.049 4.434 425 HA ASP 66 HA ASP 66 -14.289 4.523 3.185 426 1HB ASP 66 2HB ASP 66 -12.450 6.666 3.161 427 2HB ASP 66 1HB ASP 66 -12.295 5.946 1.557 428 H VAL 67 H VAL 67 -10.851 3.675 2.770 429 HA VAL 67 HA VAL 67 -9.935 1.909 1.581 430 HB VAL 67 HB VAL 67 -12.746 1.141 0.696 431 1HG1 VAL 67 1HG1 VAL 67 -10.804 -0.005 -0.353 432 2HG1 VAL 67 2HG1 VAL 67 -11.804 -1.085 0.616 433 3HG1 VAL 67 3HG1 VAL 67 -10.271 -0.497 1.256 434 1HG2 VAL 67 1HG2 VAL 67 -13.114 1.190 2.985 435 2HG2 VAL 67 2HG2 VAL 67 -11.421 0.904 3.384 436 3HG2 VAL 67 3HG2 VAL 67 -12.435 -0.418 2.816 437 H TYR 68 H TYR 68 -9.114 1.859 -0.545 438 HA TYR 68 HA TYR 68 -9.787 4.047 -2.256 439 1HB TYR 68 2HB TYR 68 -7.573 3.010 -2.270 440 2HB TYR 68 1HB TYR 68 -8.245 1.508 -2.939 441 HD1 TYR 68 1HD TYR 68 -7.460 5.050 -3.615 442 HD2 TYR 68 2HD TYR 68 -9.002 1.397 -5.238 443 HE1 TYR 68 1HE TYR 68 -7.354 5.981 -5.891 444 HE2 TYR 68 2HE TYR 68 -8.850 2.346 -7.515 445 HH TYR 68 HH TYR 68 -8.786 5.215 -8.353 446 H SER 69 H SER 69 -11.784 4.136 -3.201 447 HA SER 69 HA SER 69 -12.724 1.707 -4.679 448 1HB SER 69 2HB SER 69 -14.160 3.565 -2.841 449 2HB SER 69 1HB SER 69 -15.048 3.001 -4.258 450 HG SER 69 HG SER 69 -15.354 1.537 -2.609 451 H GLY 70 H GLY 70 -11.019 3.969 -5.588 452 1HA GLY 70 2HA GLY 70 -11.079 4.744 -7.897 453 2HA GLY 70 1HA GLY 70 -12.820 4.960 -7.776 454 H GLY 71 H GLY 71 -9.722 6.196 -6.576 455 1HA GLY 71 2HA GLY 71 -10.764 8.928 -6.635 456 2HA GLY 71 1HA GLY 71 -10.406 8.327 -5.013 457 H SER 72 H SER 72 -8.230 8.128 -4.377 458 HA SER 72 HA SER 72 -6.211 9.026 -6.409 459 1HB SER 72 2HB SER 72 -5.003 10.082 -4.500 460 2HB SER 72 1HB SER 72 -6.587 10.797 -4.821 461 HG SER 72 HG SER 72 -6.070 10.235 -2.550 462 HA PRO 73 HA PRO 73 -4.765 4.948 -4.900 463 1HB PRO 73 2HB PRO 73 -3.718 4.215 -7.287 464 2HB PRO 73 1HB PRO 73 -5.402 3.986 -6.837 465 1HG PRO 73 2HG PRO 73 -4.231 5.978 -8.741 466 2HG PRO 73 1HG PRO 73 -5.850 5.293 -8.735 467 1HD PRO 73 2HD PRO 73 -5.103 7.847 -7.761 468 2HD PRO 73 1HD PRO 73 -6.666 7.051 -7.510 469 H GLY 74 H GLY 74 -2.838 6.664 -7.417 470 1HA GLY 74 2HA GLY 74 -0.321 5.966 -6.331 471 2HA GLY 74 1HA GLY 74 -0.616 7.309 -7.426 472 H ALA 75 H ALA 75 0.702 8.813 -6.306 473 HA ALA 75 HA ALA 75 1.155 10.462 -4.755 474 1HB ALA 75 1HB ALA 75 -1.634 9.785 -3.739 475 2HB ALA 75 2HB ALA 75 -1.232 10.960 -4.966 476 3HB ALA 75 3HB ALA 75 -0.689 11.201 -3.314 477 H ASP 76 H ASP 76 -0.880 8.572 -2.509 478 HA ASP 76 HA ASP 76 1.619 7.765 -1.078 479 1HB ASP 76 2HB ASP 76 -1.019 8.532 0.222 480 2HB ASP 76 1HB ASP 76 0.530 8.208 1.017 481 H ARG 77 H ARG 77 1.665 5.627 -1.685 482 HA ARG 77 HA ARG 77 -0.795 3.995 -1.110 483 1HB ARG 77 2HB ARG 77 0.363 2.327 -2.734 484 2HB ARG 77 1HB ARG 77 -0.439 3.741 -3.417 485 1HG ARG 77 2HG ARG 77 1.474 4.719 -4.104 486 2HG ARG 77 1HG ARG 77 2.391 4.204 -2.692 487 1HD ARG 77 2HD ARG 77 3.366 2.928 -4.282 488 2HD ARG 77 1HD ARG 77 2.138 1.796 -3.750 489 HE ARG 77 HE ARG 77 2.075 3.484 -6.124 490 1HH1 ARG 77 1HH1 ARG 77 1.101 0.360 -5.609 491 2HH1 ARG 77 2HH1 ARG 77 -0.579 0.616 -5.941 492 1HH2 ARG 77 1HH2 ARG 77 -0.266 4.072 -6.079 493 2HH2 ARG 77 2HH2 ARG 77 -1.355 2.742 -6.218 494 H VAL 78 H VAL 78 -0.412 1.942 -0.047 495 HA VAL 78 HA VAL 78 2.285 1.809 1.260 496 HB VAL 78 HB VAL 78 0.105 2.337 2.653 497 1HG1 VAL 78 1HG1 VAL 78 -0.102 -0.655 2.851 498 2HG1 VAL 78 2HG1 VAL 78 -0.916 0.152 1.519 499 3HG1 VAL 78 3HG1 VAL 78 -1.296 0.619 3.136 500 1HG2 VAL 78 1HG2 VAL 78 1.249 1.616 4.504 501 2HG2 VAL 78 2HG2 VAL 78 2.530 1.546 3.343 502 3HG2 VAL 78 3HG2 VAL 78 1.708 0.072 3.802 503 H VAL 79 H VAL 79 2.329 -0.691 2.270 504 HA VAL 79 HA VAL 79 1.441 -2.587 0.187 505 HB VAL 79 HB VAL 79 4.309 -1.887 0.844 506 1HG1 VAL 79 1HG1 VAL 79 4.025 -4.364 1.221 507 2HG1 VAL 79 2HG1 VAL 79 5.051 -3.975 -0.125 508 3HG1 VAL 79 3HG1 VAL 79 3.402 -4.492 -0.404 509 1HG2 VAL 79 1HG2 VAL 79 4.536 -2.053 -1.598 510 2HG2 VAL 79 2HG2 VAL 79 3.300 -0.900 -1.154 511 3HG2 VAL 79 3HG2 VAL 79 2.842 -2.499 -1.728 512 H PHE 80 H PHE 80 1.915 -4.823 0.830 513 HA PHE 80 HA PHE 80 2.558 -5.388 3.590 514 1HB PHE 80 2HB PHE 80 0.212 -6.302 4.056 515 2HB PHE 80 1HB PHE 80 0.362 -4.546 4.020 516 HD1 PHE 80 1HD PHE 80 -0.283 -7.391 1.646 517 HD2 PHE 80 2HD PHE 80 -1.221 -3.366 2.806 518 HE1 PHE 80 1HE PHE 80 -2.043 -7.303 -0.081 519 HE2 PHE 80 2HE PHE 80 -2.986 -3.289 1.090 520 HZ PHE 80 HZ PHE 80 -3.358 -5.236 -0.404 521 H ASN 81 H ASN 81 1.622 -7.887 3.918 522 HA ASN 81 HA ASN 81 2.393 -9.286 1.377 523 1HB ASN 81 2HB ASN 81 4.133 -9.647 2.906 524 2HB ASN 81 1HB ASN 81 3.044 -9.917 4.264 525 1HD2 ASN 81 1HD2 ASN 81 4.227 -12.031 4.483 526 2HD2 ASN 81 2HD2 ASN 81 3.762 -13.333 3.458 527 H GLU 82 H GLU 82 1.111 -10.575 4.409 528 HA GLU 82 HA GLU 82 -1.544 -11.025 3.257 529 1HB GLU 82 2HB GLU 82 -1.344 -13.546 3.523 530 2HB GLU 82 1HB GLU 82 -0.401 -12.862 2.209 531 1HG GLU 82 2HG GLU 82 1.317 -14.036 3.099 532 2HG GLU 82 1HG GLU 82 1.437 -12.674 4.198 533 H ASN 83 H ASN 83 -0.026 -9.944 5.713 534 HA ASN 83 HA ASN 83 -1.958 -11.004 7.664 535 1HB ASN 83 2HB ASN 83 0.779 -11.907 7.586 536 2HB ASN 83 1HB ASN 83 0.604 -10.886 9.013 537 1HD2 ASN 83 1HD2 ASN 83 -0.631 -13.801 7.432 538 2HD2 ASN 83 2HD2 ASN 83 -1.369 -14.431 8.857 539 H ASN 84 H ASN 84 -1.058 -8.431 6.185 540 HA ASN 84 HA ASN 84 -1.094 -6.196 6.670 541 1HB ASN 84 2HB ASN 84 -2.560 -5.627 8.295 542 2HB ASN 84 1HB ASN 84 -2.740 -7.347 8.610 543 1HD2 ASN 84 1HD2 ASN 84 -2.745 -4.880 10.437 544 2HD2 ASN 84 2HD2 ASN 84 -1.613 -5.306 11.671 545 H GLN 85 H GLN 85 1.247 -8.132 7.362 546 HA GLN 85 HA GLN 85 2.780 -7.112 9.489 547 1HB GLN 85 2HB GLN 85 4.228 -7.721 6.922 548 2HB GLN 85 1HB GLN 85 4.586 -8.229 8.578 549 1HG GLN 85 2HG GLN 85 2.223 -9.530 8.197 550 2HG GLN 85 1HG GLN 85 2.833 -9.470 6.529 551 1HE2 GLN 85 1HE2 GLN 85 3.678 -11.528 6.232 552 2HE2 GLN 85 2HE2 GLN 85 4.799 -12.279 7.305 553 H LEU 86 H LEU 86 2.017 -5.792 6.350 554 HA LEU 86 HA LEU 86 2.297 -3.700 5.487 555 1HB LEU 86 2HB LEU 86 1.633 -2.697 7.492 556 2HB LEU 86 1HB LEU 86 3.086 -3.139 8.350 557 HG LEU 86 HG LEU 86 3.650 -1.493 5.951 558 1HD1 LEU 86 1HD1 LEU 86 1.390 -0.710 7.377 559 2HD1 LEU 86 2HD1 LEU 86 2.391 0.280 6.328 560 3HD1 LEU 86 3HD1 LEU 86 2.691 0.250 8.058 561 1HD2 LEU 86 1HD2 LEU 86 5.469 -1.743 7.362 562 2HD2 LEU 86 2HD2 LEU 86 4.500 -1.708 8.831 563 3HD2 LEU 86 3HD2 LEU 86 4.815 -0.232 7.946 564 H ALA 87 H ALA 87 3.863 -3.517 3.982 565 HA ALA 87 HA ALA 87 6.641 -4.265 4.494 566 1HB ALA 87 1HB ALA 87 6.969 -3.862 2.186 567 2HB ALA 87 2HB ALA 87 5.540 -2.890 2.073 568 3HB ALA 87 3HB ALA 87 5.403 -4.614 2.346 569 H GLY 88 H GLY 88 4.762 -1.331 4.105 570 1HA GLY 88 2HA GLY 88 5.997 0.449 5.621 571 2HA GLY 88 1HA GLY 88 7.206 0.355 4.348 572 H VAL 89 H VAL 89 6.207 2.788 4.499 573 HA VAL 89 HA VAL 89 3.852 2.953 2.674 574 HB VAL 89 HB VAL 89 5.198 4.993 4.425 575 1HG1 VAL 89 1HG1 VAL 89 2.987 5.309 2.398 576 2HG1 VAL 89 2HG1 VAL 89 4.533 6.151 2.451 577 3HG1 VAL 89 3HG1 VAL 89 3.313 6.483 3.673 578 1HG2 VAL 89 1HG2 VAL 89 3.674 3.389 5.568 579 2HG2 VAL 89 2HG2 VAL 89 2.444 3.745 4.394 580 3HG2 VAL 89 3HG2 VAL 89 2.922 4.975 5.502 581 H ILE 90 H ILE 90 3.963 4.090 0.748 582 HA ILE 90 HA ILE 90 6.604 5.139 -0.128 583 HB ILE 90 HB ILE 90 6.260 3.942 -2.306 584 1HG1 ILE 90 2HG1 ILE 90 4.057 2.676 -0.666 585 2HG1 ILE 90 1HG1 ILE 90 4.004 3.280 -2.303 586 1HG2 ILE 90 1HG2 ILE 90 7.781 3.191 -0.391 587 2HG2 ILE 90 2HG2 ILE 90 7.363 1.967 -1.574 588 3HG2 ILE 90 3HG2 ILE 90 6.538 1.999 -0.012 589 1HD1 ILE 90 1HD1 ILE 90 5.704 1.307 -2.745 590 2HD1 ILE 90 2HD1 ILE 90 3.992 0.997 -2.613 591 3HD1 ILE 90 3HD1 ILE 90 5.041 0.710 -1.236 592 H THR 91 H THR 91 6.301 6.513 -2.138 593 HA THR 91 HA THR 91 3.486 7.475 -2.305 594 HB THR 91 HB THR 91 4.760 9.028 -0.930 595 HG1 THR 91 1HG THR 91 4.187 10.814 -2.055 596 1HG2 THR 91 1HG2 THR 91 6.899 8.354 -2.679 597 2HG2 THR 91 2HG2 THR 91 6.924 9.421 -1.296 598 3HG2 THR 91 3HG2 THR 91 6.576 10.063 -2.893 599 H HIS 92 H HIS 92 2.706 7.553 -4.324 600 HA HIS 92 HA HIS 92 4.422 7.050 -6.621 601 1HB HIS 92 2HB HIS 92 1.628 6.886 -5.989 602 2HB HIS 92 1HB HIS 92 1.794 7.810 -7.482 603 HD1 HIS 92 1HD HIS 92 4.254 5.109 -6.663 604 HD2 HIS 92 2HD HIS 92 0.797 5.597 -8.934 605 HE1 HIS 92 1HE HIS 92 4.198 3.208 -8.306 606 HE2 HIS 92 2HE HIS 92 1.899 3.274 -9.350 607 H THR 93 H THR 93 5.729 9.042 -6.262 608 HA THR 93 HA THR 93 5.154 11.060 -8.136 609 HB THR 93 HB THR 93 3.951 11.553 -5.424 610 HG1 THR 93 1HG THR 93 3.282 12.363 -8.092 611 1HG2 THR 93 1HG2 THR 93 5.302 13.667 -7.128 612 2HG2 THR 93 2HG2 THR 93 5.520 13.349 -5.400 613 3HG2 THR 93 3HG2 THR 93 4.010 14.025 -5.987 614 H GLY 94 H GLY 94 6.699 10.177 -5.095 615 1HA GLY 94 2HA GLY 94 8.638 12.250 -4.983 616 2HA GLY 94 1HA GLY 94 8.821 10.644 -4.279 617 H ALA 95 H ALA 95 8.258 9.748 -7.311 618 HA ALA 95 HA ALA 95 11.079 10.166 -8.215 619 1HB ALA 95 1HB ALA 95 10.183 7.752 -9.311 620 2HB ALA 95 2HB ALA 95 9.628 7.734 -7.632 621 3HB ALA 95 3HB ALA 95 11.326 7.962 -7.993 622 H SER 96 H SER 96 11.169 9.473 -10.669 623 HA SER 96 HA SER 96 9.867 11.329 -12.232 624 1HB SER 96 2HB SER 96 9.999 9.349 -14.068 625 2HB SER 96 1HB SER 96 11.446 10.152 -13.449 626 HG SER 96 HG SER 96 11.737 7.945 -13.252 627 H GLY 97 H GLY 97 7.768 11.625 -12.950 628 1HA GLY 97 2HA GLY 97 5.482 11.213 -13.240 629 2HA GLY 97 1HA GLY 97 5.897 9.507 -13.440 630 H ASN 98 H ASN 98 5.962 8.156 -11.554 631 HA ASN 98 HA ASN 98 4.955 9.392 -9.062 632 1HB ASN 98 2HB ASN 98 3.742 6.849 -9.220 633 2HB ASN 98 1HB ASN 98 2.944 8.403 -9.262 634 1HD2 ASN 98 1HD2 ASN 98 1.859 8.877 -11.144 635 2HD2 ASN 98 2HD2 ASN 98 2.109 8.047 -12.638 636 H ASN 99 H ASN 99 5.446 5.972 -9.935 637 HA ASN 99 HA ASN 99 6.824 4.388 -8.995 638 1HB ASN 99 2HB ASN 99 8.476 6.606 -9.682 639 2HB ASN 99 1HB ASN 99 8.975 6.095 -8.067 640 1HD2 ASN 99 1HD2 ASN 99 8.246 4.665 -11.266 641 2HD2 ASN 99 2HD2 ASN 99 9.441 3.427 -11.104 642 H PHE 100 H PHE 100 7.503 3.571 -6.893 643 HA PHE 100 HA PHE 100 6.355 5.208 -4.658 644 1HB PHE 100 2HB PHE 100 6.670 2.609 -3.697 645 2HB PHE 100 1HB PHE 100 5.164 3.363 -4.215 646 HD1 PHE 100 1HD PHE 100 8.179 1.585 -5.536 647 HD2 PHE 100 2HD PHE 100 4.006 2.361 -6.002 648 HE1 PHE 100 1HE PHE 100 8.077 -0.027 -7.364 649 HE2 PHE 100 2HE PHE 100 3.864 0.702 -7.812 650 HZ PHE 100 HZ PHE 100 5.885 -0.474 -8.527 651 H VAL 101 H VAL 101 7.719 5.926 -3.151 652 HA VAL 101 HA VAL 101 10.299 4.506 -2.708 653 HB VAL 101 HB VAL 101 10.974 7.083 -2.111 654 1HG1 VAL 101 1HG1 VAL 101 11.131 5.790 -4.853 655 2HG1 VAL 101 2HG1 VAL 101 12.253 5.514 -3.518 656 3HG1 VAL 101 3HG1 VAL 101 12.149 7.107 -4.263 657 1HG2 VAL 101 1HG2 VAL 101 9.171 7.271 -4.556 658 2HG2 VAL 101 2HG2 VAL 101 10.114 8.562 -3.817 659 3HG2 VAL 101 3HG2 VAL 101 8.755 7.872 -2.951 660 H GLU 102 H GLU 102 10.859 4.287 -0.548 661 HA GLU 102 HA GLU 102 8.868 4.345 1.393 662 1HB GLU 102 2HB GLU 102 11.875 4.502 1.633 663 2HB GLU 102 1HB GLU 102 10.848 4.393 3.068 664 1HG GLU 102 2HG GLU 102 10.445 2.416 0.824 665 2HG GLU 102 1HG GLU 102 11.795 2.212 1.949 666 H CYS 103 H CYS 103 7.828 6.014 2.372 667 HA CYS 103 HA CYS 103 8.678 8.749 1.940 668 1HB CYS 103 2HB CYS 103 6.456 7.367 3.431 669 2HB CYS 103 1HB CYS 103 6.822 9.040 3.885 670 H THR 104 H THR 104 10.022 9.980 3.190 671 HA THR 104 HA THR 104 10.920 8.797 5.802 672 HB THR 104 HB THR 104 12.939 10.261 5.475 673 HG1 THR 104 1HG THR 104 13.125 11.432 3.635 674 1HG2 THR 104 1HG2 THR 104 12.328 8.378 3.181 675 2HG2 THR 104 2HG2 THR 104 12.965 7.906 4.759 676 3HG2 THR 104 3HG2 THR 104 13.930 8.917 3.684 Start of MODEL 12 1 1H ALA 1 1HT ALA 1 -1.456 7.990 16.674 2 2H ALA 1 2HT ALA 1 -1.300 9.700 16.585 3 3H ALA 1 3HT ALA 1 -0.889 8.878 18.031 4 HA ALA 1 HA ALA 1 1.076 9.532 16.842 5 1HB ALA 1 1HB ALA 1 1.097 7.462 18.167 6 2HB ALA 1 2HB ALA 1 2.129 7.303 16.748 7 3HB ALA 1 3HB ALA 1 0.531 6.549 16.770 8 H CYS 2 H CYS 2 2.505 8.671 14.938 9 HA CYS 2 HA CYS 2 1.436 7.553 12.627 10 1HB CYS 2 2HB CYS 2 1.311 9.890 11.329 11 2HB CYS 2 1HB CYS 2 -0.111 9.240 12.134 12 H ASP 3 H ASP 3 3.186 7.029 11.419 13 HA ASP 3 HA ASP 3 5.553 8.855 11.558 14 1HB ASP 3 2HB ASP 3 5.463 6.305 12.585 15 2HB ASP 3 1HB ASP 3 6.025 5.969 10.944 16 H TYR 4 H TYR 4 3.160 7.659 9.553 17 HA TYR 4 HA TYR 4 4.948 7.667 7.162 18 1HB TYR 4 2HB TYR 4 2.121 6.671 7.621 19 2HB TYR 4 1HB TYR 4 2.870 6.738 6.021 20 HD1 TYR 4 1HD TYR 4 5.350 5.727 5.974 21 HD2 TYR 4 2HD TYR 4 2.274 4.671 8.778 22 HE1 TYR 4 1HE TYR 4 6.483 3.561 6.396 23 HE2 TYR 4 2HE TYR 4 3.408 2.507 9.209 24 HH TYR 4 HH TYR 4 5.344 1.032 7.442 25 H THR 5 H THR 5 5.197 9.990 7.148 26 HA THR 5 HA THR 5 2.676 11.433 6.391 27 HB THR 5 HB THR 5 5.203 12.626 7.596 28 HG1 THR 5 1HG THR 5 4.277 11.487 9.224 29 1HG2 THR 5 1HG2 THR 5 3.115 14.329 8.060 30 2HG2 THR 5 2HG2 THR 5 2.701 13.703 6.467 31 3HG2 THR 5 3HG2 THR 5 4.258 14.472 6.732 32 H CYS 6 H CYS 6 2.618 12.242 4.368 33 HA CYS 6 HA CYS 6 5.209 12.766 2.941 34 1HB CYS 6 2HB CYS 6 2.968 10.939 2.211 35 2HB CYS 6 1HB CYS 6 3.546 11.975 0.905 36 H GLY 7 H GLY 7 2.785 14.167 4.261 37 1HA GLY 7 2HA GLY 7 2.895 16.555 2.701 38 2HA GLY 7 1HA GLY 7 1.393 15.693 2.348 39 H SER 8 H SER 8 3.062 15.713 5.477 40 HA SER 8 HA SER 8 2.391 16.507 7.547 41 1HB SER 8 2HB SER 8 1.393 18.501 5.636 42 2HB SER 8 1HB SER 8 0.345 18.382 7.040 43 HG SER 8 HG SER 8 2.016 18.924 8.330 44 H ASN 9 H ASN 9 0.961 14.320 6.021 45 HA ASN 9 HA ASN 9 -1.807 14.527 7.028 46 1HB ASN 9 2HB ASN 9 -0.281 12.611 5.259 47 2HB ASN 9 1HB ASN 9 -1.794 12.083 6.006 48 1HD2 ASN 9 1HD2 ASN 9 -1.283 15.470 5.067 49 2HD2 ASN 9 2HD2 ASN 9 -2.421 15.413 3.802 50 H CYS 10 H CYS 10 1.237 13.268 8.066 51 HA CYS 10 HA CYS 10 1.802 11.753 9.725 52 1HB CYS 10 2HB CYS 10 0.690 13.988 10.728 53 2HB CYS 10 1HB CYS 10 -0.472 12.826 11.368 54 H TYR 11 H TYR 11 1.026 9.886 8.475 55 HA TYR 11 HA TYR 11 -1.682 8.896 9.010 56 1HB TYR 11 2HB TYR 11 0.705 7.937 7.471 57 2HB TYR 11 1HB TYR 11 -0.487 6.735 7.927 58 HD1 TYR 11 1HD TYR 11 0.268 9.524 5.731 59 HD2 TYR 11 2HD TYR 11 -2.871 7.021 7.245 60 HE1 TYR 11 1HE TYR 11 -1.181 10.228 3.857 61 HE2 TYR 11 2HE TYR 11 -4.331 7.723 5.368 62 HH TYR 11 HH TYR 11 -3.825 10.362 3.482 63 H SER 12 H SER 12 -2.246 7.475 10.605 64 HA SER 12 HA SER 12 -0.325 6.943 12.722 65 1HB SER 12 2HB SER 12 -2.732 5.436 13.107 66 2HB SER 12 1HB SER 12 -2.189 6.871 13.953 67 HG SER 12 HG SER 12 -3.624 6.858 11.512 68 H SER 13 H SER 13 0.894 5.131 12.972 69 HA SER 13 HA SER 13 1.099 3.166 10.950 70 1HB SER 13 2HB SER 13 1.848 1.909 13.409 71 2HB SER 13 1HB SER 13 2.896 2.684 12.217 72 HG SER 13 HG SER 13 3.152 3.693 14.213 73 H SER 14 H SER 14 -1.297 3.517 13.435 74 HA SER 14 HA SER 14 -2.111 0.685 13.255 75 1HB SER 14 2HB SER 14 -4.035 2.096 14.742 76 2HB SER 14 1HB SER 14 -2.681 1.156 15.377 77 HG SER 14 HG SER 14 -2.807 3.431 16.048 78 H ASP 15 H ASP 15 -3.083 3.866 12.102 79 HA ASP 15 HA ASP 15 -5.673 2.984 11.143 80 1HB ASP 15 2HB ASP 15 -3.946 5.417 10.751 81 2HB ASP 15 1HB ASP 15 -5.352 5.184 9.719 82 H VAL 16 H VAL 16 -2.396 3.143 9.940 83 HA VAL 16 HA VAL 16 -2.993 2.696 7.167 84 HB VAL 16 HB VAL 16 -0.497 1.693 8.587 85 1HG1 VAL 16 1HG1 VAL 16 0.547 2.293 6.443 86 2HG1 VAL 16 2HG1 VAL 16 -0.999 2.890 5.835 87 3HG1 VAL 16 3HG1 VAL 16 -0.787 1.172 6.180 88 1HG2 VAL 16 1HG2 VAL 16 -1.513 4.450 8.442 89 2HG2 VAL 16 2HG2 VAL 16 0.050 4.262 7.666 90 3HG2 VAL 16 3HG2 VAL 16 -0.154 3.767 9.325 91 H SER 17 H SER 17 -2.887 0.661 10.005 92 HA SER 17 HA SER 17 -2.682 -1.865 8.637 93 1HB SER 17 2HB SER 17 -2.263 -2.381 10.788 94 2HB SER 17 1HB SER 17 -3.068 -0.935 11.393 95 HG SER 17 HG SER 17 -4.112 -2.938 11.981 96 H THR 18 H THR 18 -5.390 0.150 9.790 97 HA THR 18 HA THR 18 -7.469 -1.710 9.191 98 HB THR 18 HB THR 18 -8.564 0.831 8.636 99 HG1 THR 18 1HG THR 18 -6.801 1.242 10.797 100 1HG2 THR 18 1HG2 THR 18 -9.472 -0.871 10.161 101 2HG2 THR 18 2HG2 THR 18 -9.382 0.712 10.930 102 3HG2 THR 18 3HG2 THR 18 -8.184 -0.520 11.318 103 H ALA 19 H ALA 19 -6.145 0.968 7.238 104 HA ALA 19 HA ALA 19 -7.612 0.308 4.861 105 1HB ALA 19 1HB ALA 19 -5.980 1.723 3.709 106 2HB ALA 19 2HB ALA 19 -4.894 1.630 5.097 107 3HB ALA 19 3HB ALA 19 -6.441 2.469 5.242 108 H GLN 20 H GLN 20 -4.744 -0.976 6.372 109 HA GLN 20 HA GLN 20 -3.719 -2.344 4.085 110 1HB GLN 20 2HB GLN 20 -2.935 -1.977 6.775 111 2HB GLN 20 1HB GLN 20 -3.118 -3.703 6.627 112 1HG GLN 20 2HG GLN 20 -1.269 -1.859 5.134 113 2HG GLN 20 1HG GLN 20 -0.933 -3.353 6.017 114 1HE2 GLN 20 1HE2 GLN 20 -2.768 -5.127 4.976 115 2HE2 GLN 20 2HE2 GLN 20 -2.637 -5.212 3.276 116 H ALA 21 H ALA 21 -6.161 -3.055 6.499 117 HA ALA 21 HA ALA 21 -6.421 -5.864 5.741 118 1HB ALA 21 1HB ALA 21 -8.387 -5.826 7.229 119 2HB ALA 21 2HB ALA 21 -8.232 -4.074 7.387 120 3HB ALA 21 3HB ALA 21 -6.971 -5.131 8.018 121 H ALA 22 H ALA 22 -7.440 -2.856 4.473 122 HA ALA 22 HA ALA 22 -9.922 -3.817 3.278 123 1HB ALA 22 1HB ALA 22 -10.186 -1.659 2.502 124 2HB ALA 22 2HB ALA 22 -8.458 -1.362 2.322 125 3HB ALA 22 3HB ALA 22 -9.199 -1.363 3.921 126 H GLY 23 H GLY 23 -6.610 -3.011 2.142 127 1HA GLY 23 2HA GLY 23 -7.120 -3.984 -0.563 128 2HA GLY 23 1HA GLY 23 -5.551 -3.603 0.134 129 H TYR 24 H TYR 24 -5.984 -5.331 2.471 130 HA TYR 24 HA TYR 24 -4.948 -7.772 1.293 131 1HB TYR 24 2HB TYR 24 -4.048 -7.139 3.443 132 2HB TYR 24 1HB TYR 24 -5.667 -6.941 4.110 133 HD1 TYR 24 1HD TYR 24 -5.751 -8.494 5.863 134 HD2 TYR 24 2HD TYR 24 -4.356 -9.724 1.988 135 HE1 TYR 24 1HE TYR 24 -5.749 -10.857 6.611 136 HE2 TYR 24 2HE TYR 24 -4.357 -12.078 2.730 137 HH TYR 24 HH TYR 24 -4.196 -13.156 5.513 138 H GLN 25 H GLN 25 -8.006 -6.780 2.803 139 HA GLN 25 HA GLN 25 -9.169 -9.426 2.711 140 1HB GLN 25 2HB GLN 25 -9.944 -7.330 4.055 141 2HB GLN 25 1HB GLN 25 -10.781 -6.859 2.573 142 1HG GLN 25 2HG GLN 25 -11.615 -9.419 2.743 143 2HG GLN 25 1HG GLN 25 -11.273 -9.127 4.457 144 1HE2 GLN 25 1HE2 GLN 25 -11.950 -6.180 4.138 145 2HE2 GLN 25 2HE2 GLN 25 -13.663 -6.177 4.031 146 H LEU 26 H LEU 26 -9.739 -6.504 0.720 147 HA LEU 26 HA LEU 26 -11.335 -7.666 -1.233 148 1HB LEU 26 2HB LEU 26 -10.254 -5.196 -0.920 149 2HB LEU 26 1HB LEU 26 -9.177 -5.787 -2.180 150 HG LEU 26 HG LEU 26 -10.956 -4.752 -3.356 151 1HD1 LEU 26 1HD1 LEU 26 -10.360 -7.072 -4.150 152 2HD1 LEU 26 2HD1 LEU 26 -11.954 -6.502 -4.521 153 3HD1 LEU 26 3HD1 LEU 26 -11.771 -7.680 -3.258 154 1HD2 LEU 26 1HD2 LEU 26 -13.313 -5.167 -2.854 155 2HD2 LEU 26 2HD2 LEU 26 -12.488 -4.566 -1.420 156 3HD2 LEU 26 3HD2 LEU 26 -12.871 -6.280 -1.561 157 H HIS 27 H HIS 27 -7.820 -7.800 -0.858 158 HA HIS 27 HA HIS 27 -7.266 -9.059 -3.378 159 1HB HIS 27 2HB HIS 27 -5.438 -8.053 -2.155 160 2HB HIS 27 1HB HIS 27 -5.767 -9.053 -0.736 161 HD1 HIS 27 1HD HIS 27 -5.608 -10.245 -4.335 162 HD2 HIS 27 2HD HIS 27 -3.519 -10.677 -0.749 163 HE1 HIS 27 1HE HIS 27 -3.870 -12.033 -4.734 164 HE2 HIS 27 2HE HIS 27 -2.816 -12.492 -2.480 165 H GLU 28 H GLU 28 -8.035 -10.325 -0.143 166 HA GLU 28 HA GLU 28 -7.741 -13.099 -1.032 167 1HB GLU 28 2HB GLU 28 -7.716 -11.844 1.455 168 2HB GLU 28 1HB GLU 28 -9.312 -12.596 1.440 169 1HG GLU 28 2HG GLU 28 -7.920 -14.258 2.323 170 2HG GLU 28 1HG GLU 28 -8.107 -14.738 0.630 171 H ASP 29 H ASP 29 -10.047 -10.768 -1.611 172 HA ASP 29 HA ASP 29 -12.297 -12.698 -1.582 173 1HB ASP 29 2HB ASP 29 -12.036 -9.726 -1.456 174 2HB ASP 29 1HB ASP 29 -13.411 -10.340 -2.381 175 H GLY 30 H GLY 30 -9.865 -11.799 -3.647 176 1HA GLY 30 2HA GLY 30 -9.622 -11.891 -5.959 177 2HA GLY 30 1HA GLY 30 -10.972 -13.028 -5.918 178 H GLU 31 H GLU 31 -11.368 -9.752 -4.706 179 HA GLU 31 HA GLU 31 -13.198 -9.225 -7.010 180 1HB GLU 31 2HB GLU 31 -13.377 -8.817 -4.124 181 2HB GLU 31 1HB GLU 31 -13.675 -7.309 -4.964 182 1HG GLU 31 2HG GLU 31 -15.013 -9.837 -5.900 183 2HG GLU 31 1HG GLU 31 -15.644 -8.916 -4.528 184 H THR 32 H THR 32 -13.394 -6.449 -6.718 185 HA THR 32 HA THR 32 -10.619 -5.431 -6.940 186 HB THR 32 HB THR 32 -12.363 -4.341 -9.055 187 HG1 THR 32 1HG THR 32 -11.705 -7.110 -9.271 188 1HG2 THR 32 1HG2 THR 32 -10.380 -4.052 -9.901 189 2HG2 THR 32 2HG2 THR 32 -10.101 -5.778 -10.037 190 3HG2 THR 32 3HG2 THR 32 -9.615 -4.929 -8.573 191 H VAL 33 H VAL 33 -10.834 -2.935 -7.375 192 HA VAL 33 HA VAL 33 -12.600 -1.917 -5.228 193 HB VAL 33 HB VAL 33 -11.317 0.226 -5.623 194 1HG1 VAL 33 1HG1 VAL 33 -9.197 -0.632 -4.749 195 2HG1 VAL 33 2HG1 VAL 33 -9.654 -2.269 -5.221 196 3HG1 VAL 33 3HG1 VAL 33 -10.566 -1.421 -3.970 197 1HG2 VAL 33 1HG2 VAL 33 -9.492 -1.321 -7.335 198 2HG2 VAL 33 2HG2 VAL 33 -9.683 0.392 -7.257 199 3HG2 VAL 33 3HG2 VAL 33 -10.850 -0.583 -8.120 200 H GLY 34 H GLY 34 -12.935 0.761 -6.346 201 1HA GLY 34 2HA GLY 34 -15.405 0.708 -7.481 202 2HA GLY 34 1HA GLY 34 -14.224 1.947 -7.903 203 H SER 35 H SER 35 -12.369 0.139 -9.211 204 HA SER 35 HA SER 35 -13.394 -1.547 -11.153 205 1HB SER 35 2HB SER 35 -14.320 1.158 -11.631 206 2HB SER 35 1HB SER 35 -13.181 0.731 -12.885 207 HG SER 35 HG SER 35 -15.213 0.021 -13.479 208 H ASN 36 H ASN 36 -11.137 1.022 -10.362 209 HA ASN 36 HA ASN 36 -9.225 0.231 -12.436 210 1HB ASN 36 2HB ASN 36 -9.343 2.266 -10.225 211 2HB ASN 36 1HB ASN 36 -7.744 1.783 -10.800 212 1HD2 ASN 36 1HD2 ASN 36 -10.699 3.445 -11.702 213 2HD2 ASN 36 2HD2 ASN 36 -10.077 4.054 -13.194 214 H SER 37 H SER 37 -10.221 -1.469 -9.866 215 HA SER 37 HA SER 37 -9.234 -2.952 -8.397 216 1HB SER 37 2HB SER 37 -6.949 -3.329 -10.261 217 2HB SER 37 1HB SER 37 -7.993 -4.553 -9.574 218 HG SER 37 HG SER 37 -8.325 -4.227 -11.837 219 H TYR 38 H TYR 38 -6.647 -3.611 -7.783 220 HA TYR 38 HA TYR 38 -4.748 -1.624 -7.679 221 1HB TYR 38 2HB TYR 38 -7.019 -0.806 -6.106 222 2HB TYR 38 1HB TYR 38 -5.700 -1.151 -5.007 223 HD1 TYR 38 1HD TYR 38 -7.043 1.367 -6.998 224 HD2 TYR 38 2HD TYR 38 -3.297 -0.412 -5.881 225 HE1 TYR 38 1HE TYR 38 -5.868 3.437 -7.639 226 HE2 TYR 38 2HE TYR 38 -2.116 1.673 -6.510 227 HH TYR 38 HH TYR 38 -2.945 3.783 -8.380 228 HA PRO 39 HA PRO 39 -3.988 -4.489 -3.930 229 1HB PRO 39 2HB PRO 39 -5.837 -6.440 -3.456 230 2HB PRO 39 1HB PRO 39 -5.823 -4.859 -2.685 231 1HG PRO 39 2HG PRO 39 -7.606 -5.875 -4.860 232 2HG PRO 39 1HG PRO 39 -7.936 -4.648 -3.624 233 1HD PRO 39 2HD PRO 39 -7.300 -4.170 -6.295 234 2HD PRO 39 1HD PRO 39 -7.264 -2.957 -5.013 235 H HIS 40 H HIS 40 -2.366 -5.287 -5.212 236 HA HIS 40 HA HIS 40 -2.739 -8.068 -6.175 237 1HB HIS 40 2HB HIS 40 -1.001 -6.738 -8.076 238 2HB HIS 40 1HB HIS 40 -2.517 -7.596 -8.374 239 HD1 HIS 40 1HD HIS 40 -4.672 -6.241 -8.517 240 HD2 HIS 40 2HD HIS 40 -1.269 -3.917 -7.988 241 HE1 HIS 40 1HE HIS 40 -5.308 -3.890 -9.098 242 HE2 HIS 40 2HE HIS 40 -3.224 -2.510 -8.957 243 H LYS 41 H LYS 41 -0.368 -8.887 -6.800 244 HA LYS 41 HA LYS 41 1.171 -8.573 -4.433 245 1HB LYS 41 2HB LYS 41 2.667 -10.105 -5.320 246 2HB LYS 41 1HB LYS 41 1.192 -10.487 -6.205 247 1HG LYS 41 2HG LYS 41 2.354 -10.207 -8.074 248 2HG LYS 41 1HG LYS 41 2.321 -8.488 -7.786 249 1HD LYS 41 2HD LYS 41 4.593 -8.810 -7.949 250 2HD LYS 41 1HD LYS 41 4.408 -9.034 -6.205 251 1HE LYS 41 2HE LYS 41 3.913 -11.529 -7.680 252 2HE LYS 41 1HE LYS 41 5.504 -10.848 -8.028 253 1HZ LYS 41 1HZ LYS 41 4.411 -11.381 -5.317 254 2HZ LYS 41 2HZ LYS 41 5.927 -10.699 -5.643 255 3HZ LYS 41 3HZ LYS 41 5.593 -12.287 -6.113 256 H TYR 42 H TYR 42 3.344 -7.662 -4.203 257 HA TYR 42 HA TYR 42 3.881 -5.371 -6.049 258 1HB TYR 42 2HB TYR 42 3.041 -4.211 -4.229 259 2HB TYR 42 1HB TYR 42 3.495 -5.466 -3.090 260 HD1 TYR 42 1HD TYR 42 6.102 -5.773 -2.700 261 HD2 TYR 42 2HD TYR 42 4.292 -2.244 -4.281 262 HE1 TYR 42 1HE TYR 42 8.060 -4.505 -1.998 263 HE2 TYR 42 2HE TYR 42 6.260 -0.947 -3.565 264 HH TYR 42 HH TYR 42 9.172 -2.462 -2.242 265 H ASN 43 H ASN 43 5.998 -5.323 -6.725 266 HA ASN 43 HA ASN 43 7.950 -7.072 -5.243 267 1HB ASN 43 2HB ASN 43 9.038 -7.293 -7.592 268 2HB ASN 43 1HB ASN 43 7.550 -8.196 -7.288 269 1HD2 ASN 43 1HD2 ASN 43 8.893 -5.443 -9.020 270 2HD2 ASN 43 2HD2 ASN 43 7.488 -5.177 -9.988 271 H ASN 44 H ASN 44 7.311 -3.967 -6.732 272 HA ASN 44 HA ASN 44 8.668 -2.112 -6.996 273 1HB ASN 44 2HB ASN 44 8.910 -3.172 -4.302 274 2HB ASN 44 1HB ASN 44 10.351 -2.305 -4.695 275 1HD2 ASN 44 1HD2 ASN 44 9.991 -0.404 -3.532 276 2HD2 ASN 44 2HD2 ASN 44 8.663 0.636 -3.831 277 H TYR 45 H TYR 45 11.365 -1.729 -6.136 278 HA TYR 45 HA TYR 45 13.195 -3.693 -6.752 279 1HB TYR 45 2HB TYR 45 11.892 -2.502 -9.180 280 2HB TYR 45 1HB TYR 45 13.650 -2.649 -9.260 281 HD1 TYR 45 1HD TYR 45 11.086 -4.232 -10.551 282 HD2 TYR 45 2HD TYR 45 14.198 -5.083 -7.707 283 HE1 TYR 45 1HE TYR 45 10.902 -6.649 -11.067 284 HE2 TYR 45 2HE TYR 45 14.005 -7.492 -8.213 285 HH TYR 45 HH TYR 45 12.980 -8.806 -10.641 286 H GLU 46 H GLU 46 12.280 -0.354 -6.907 287 HA GLU 46 HA GLU 46 14.398 1.154 -7.430 288 1HB GLU 46 2HB GLU 46 12.159 1.430 -5.817 289 2HB GLU 46 1HB GLU 46 13.454 1.686 -4.651 290 1HG GLU 46 2HG GLU 46 13.823 3.075 -7.253 291 2HG GLU 46 1HG GLU 46 12.433 3.583 -6.294 292 H GLY 47 H GLY 47 14.136 -0.375 -4.194 293 1HA GLY 47 2HA GLY 47 16.494 -1.633 -3.862 294 2HA GLY 47 1HA GLY 47 17.048 0.040 -3.770 295 H PHE 48 H PHE 48 14.211 -1.748 -2.475 296 HA PHE 48 HA PHE 48 14.776 -0.429 0.163 297 1HB PHE 48 2HB PHE 48 12.224 -1.526 -1.069 298 2HB PHE 48 1HB PHE 48 12.345 -1.040 0.630 299 HD1 PHE 48 1HD PHE 48 11.675 0.104 -2.660 300 HD2 PHE 48 2HD PHE 48 13.341 1.325 1.102 301 HE1 PHE 48 1HE PHE 48 11.321 2.479 -3.278 302 HE2 PHE 48 2HE PHE 48 12.993 3.702 0.482 303 HZ PHE 48 HZ PHE 48 12.019 4.271 -1.714 304 H ASP 49 H ASP 49 14.959 -1.700 1.996 305 HA ASP 49 HA ASP 49 15.184 -4.655 1.485 306 1HB ASP 49 2HB ASP 49 16.583 -4.556 3.655 307 2HB ASP 49 1HB ASP 49 17.293 -3.835 2.206 308 H PHE 50 H PHE 50 12.763 -4.682 1.790 309 HA PHE 50 HA PHE 50 11.623 -4.018 4.365 310 1HB PHE 50 2HB PHE 50 10.723 -5.964 2.199 311 2HB PHE 50 1HB PHE 50 9.746 -5.526 3.612 312 HD1 PHE 50 1HD PHE 50 8.986 -5.108 0.686 313 HD2 PHE 50 2HD PHE 50 10.830 -2.534 3.586 314 HE1 PHE 50 1HE PHE 50 8.066 -3.135 -0.430 315 HE2 PHE 50 2HE PHE 50 9.930 -0.572 2.413 316 HZ PHE 50 HZ PHE 50 8.539 -0.863 0.383 317 H SER 51 H SER 51 10.432 -6.015 5.537 318 HA SER 51 HA SER 51 12.383 -8.258 5.845 319 1HB SER 51 2HB SER 51 12.642 -6.281 7.577 320 2HB SER 51 1HB SER 51 11.196 -6.982 8.313 321 HG SER 51 HG SER 51 13.289 -7.825 9.059 322 H VAL 52 H VAL 52 9.483 -7.663 4.846 323 HA VAL 52 HA VAL 52 7.906 -9.366 6.673 324 HB VAL 52 HB VAL 52 7.252 -7.957 4.124 325 1HG1 VAL 52 1HG1 VAL 52 5.652 -9.834 5.777 326 2HG1 VAL 52 2HG1 VAL 52 5.821 -9.821 4.033 327 3HG1 VAL 52 3HG1 VAL 52 4.852 -8.600 4.818 328 1HG2 VAL 52 1HG2 VAL 52 6.408 -7.495 6.961 329 2HG2 VAL 52 2HG2 VAL 52 5.803 -6.586 5.574 330 3HG2 VAL 52 3HG2 VAL 52 7.503 -6.474 6.025 331 H SER 53 H SER 53 7.874 -9.536 3.108 332 HA SER 53 HA SER 53 9.112 -12.170 3.077 333 1HB SER 53 2HB SER 53 6.155 -11.840 2.651 334 2HB SER 53 1HB SER 53 7.018 -13.280 2.168 335 HG SER 53 HG SER 53 6.116 -13.517 4.236 336 H SER 54 H SER 54 8.439 -13.133 0.696 337 HA SER 54 HA SER 54 9.473 -11.129 -1.163 338 1HB SER 54 2HB SER 54 8.461 -13.601 -2.404 339 2HB SER 54 1HB SER 54 10.072 -12.908 -2.369 340 HG SER 54 HG SER 54 10.536 -13.933 -0.519 341 HA PRO 55 HA PRO 55 5.207 -11.770 -3.220 342 1HB PRO 55 2HB PRO 55 3.333 -13.229 -1.854 343 2HB PRO 55 1HB PRO 55 4.497 -13.919 -2.983 344 1HG PRO 55 2HG PRO 55 4.491 -14.039 0.006 345 2HG PRO 55 1HG PRO 55 5.170 -15.190 -1.159 346 1HD PRO 55 2HD PRO 55 6.567 -13.263 0.309 347 2HD PRO 55 1HD PRO 55 7.204 -14.204 -1.029 348 H TYR 56 H TYR 56 5.246 -9.563 -2.586 349 HA TYR 56 HA TYR 56 3.799 -8.753 -0.147 350 1HB TYR 56 2HB TYR 56 5.391 -7.398 -2.271 351 2HB TYR 56 1HB TYR 56 4.347 -6.403 -1.289 352 HD1 TYR 56 1HD TYR 56 4.517 -6.763 1.292 353 HD2 TYR 56 2HD TYR 56 7.550 -7.843 -1.534 354 HE1 TYR 56 1HE TYR 56 6.185 -6.712 3.093 355 HE2 TYR 56 2HE TYR 56 9.246 -7.795 0.272 356 HH TYR 56 HH TYR 56 9.352 -8.005 2.754 357 H TYR 57 H TYR 57 2.454 -6.492 -0.944 358 HA TYR 57 HA TYR 57 0.835 -7.011 -3.274 359 1HB TYR 57 2HB TYR 57 -0.310 -7.364 -0.505 360 2HB TYR 57 1HB TYR 57 -1.335 -7.133 -1.936 361 HD1 TYR 57 1HD TYR 57 0.573 -9.457 -0.008 362 HD2 TYR 57 2HD TYR 57 -1.109 -8.790 -3.849 363 HE1 TYR 57 1HE TYR 57 0.769 -11.888 -0.488 364 HE2 TYR 57 2HE TYR 57 -0.906 -11.195 -4.386 365 HH TYR 57 HH TYR 57 -0.795 -13.474 -2.601 366 H GLU 58 H GLU 58 0.677 -5.005 -4.091 367 HA GLU 58 HA GLU 58 0.915 -2.645 -2.381 368 1HB GLU 58 2HB GLU 58 0.614 -1.410 -4.547 369 2HB GLU 58 1HB GLU 58 1.948 -2.561 -4.568 370 1HG GLU 58 2HG GLU 58 0.836 -4.068 -5.929 371 2HG GLU 58 1HG GLU 58 -0.768 -3.483 -5.501 372 H TRP 59 H TRP 59 -0.670 -1.168 -1.870 373 HA TRP 59 HA TRP 59 -3.349 -1.294 -3.011 374 1HB TRP 59 2HB TRP 59 -3.750 -3.053 -1.481 375 2HB TRP 59 1HB TRP 59 -2.763 -2.308 -0.219 376 HD1 TRP 59 HD TRP 59 -3.890 -0.629 1.369 377 HE1 TRP 59 1HE TRP 59 -6.316 0.148 1.723 378 HE3 TRP 59 3HE TRP 59 -6.039 -2.560 -2.848 379 HZ2 TRP 59 2HZ TRP 59 -8.860 -0.059 0.374 380 HZ3 TRP 59 3HZ TRP 59 -8.446 -2.259 -3.264 381 HH2 TRP 59 HH TRP 59 -9.862 -1.000 -1.690 382 HA PRO 60 HA PRO 60 -2.735 2.964 -1.830 383 1HB PRO 60 2HB PRO 60 -5.308 3.858 -2.207 384 2HB PRO 60 1HB PRO 60 -4.159 3.553 -3.509 385 1HG PRO 60 2HG PRO 60 -6.424 1.834 -2.579 386 2HG PRO 60 1HG PRO 60 -5.845 2.074 -4.228 387 1HD PRO 60 2HD PRO 60 -5.294 -0.114 -2.664 388 2HD PRO 60 1HD PRO 60 -4.278 0.380 -3.953 389 H ILE 61 H ILE 61 -3.415 4.522 -0.205 390 HA ILE 61 HA ILE 61 -4.995 3.341 2.048 391 HB ILE 61 HB ILE 61 -2.794 3.030 2.823 392 1HG1 ILE 61 2HG1 ILE 61 -2.445 4.697 4.567 393 2HG1 ILE 61 1HG1 ILE 61 -3.463 5.872 3.733 394 1HG2 ILE 61 1HG2 ILE 61 -1.583 4.089 1.027 395 2HG2 ILE 61 2HG2 ILE 61 -1.028 4.802 2.532 396 3HG2 ILE 61 3HG2 ILE 61 -2.156 5.687 1.508 397 1HD1 ILE 61 1HD1 ILE 61 -5.177 3.741 3.946 398 2HD1 ILE 61 2HD1 ILE 61 -5.053 5.031 5.098 399 3HD1 ILE 61 3HD1 ILE 61 -4.181 3.550 5.367 400 H LEU 62 H LEU 62 -6.439 4.820 2.939 401 HA LEU 62 HA LEU 62 -6.187 7.665 2.022 402 1HB LEU 62 2HB LEU 62 -8.849 6.615 2.877 403 2HB LEU 62 1HB LEU 62 -8.420 7.740 1.580 404 HG LEU 62 HG LEU 62 -8.127 4.717 1.528 405 1HD1 LEU 62 1HD1 LEU 62 -10.395 5.616 1.111 406 2HD1 LEU 62 2HD1 LEU 62 -9.688 4.891 -0.307 407 3HD1 LEU 62 3HD1 LEU 62 -9.744 6.633 -0.175 408 1HD2 LEU 62 1HD2 LEU 62 -7.596 5.860 -0.998 409 2HD2 LEU 62 2HD2 LEU 62 -6.484 5.004 0.026 410 3HD2 LEU 62 3HD2 LEU 62 -6.597 6.764 0.117 411 H SER 63 H SER 63 -7.102 9.254 3.539 412 HA SER 63 HA SER 63 -7.061 8.299 6.383 413 1HB SER 63 2HB SER 63 -5.131 9.954 5.139 414 2HB SER 63 1HB SER 63 -6.063 11.016 6.143 415 HG SER 63 HG SER 63 -4.423 10.094 7.372 416 H SER 64 H SER 64 -9.251 8.998 4.416 417 HA SER 64 HA SER 64 -10.563 11.052 6.150 418 1HB SER 64 2HB SER 64 -9.745 11.530 3.523 419 2HB SER 64 1HB SER 64 -11.449 11.119 3.339 420 HG SER 64 HG SER 64 -12.000 12.786 4.647 421 H GLY 65 H GLY 65 -11.362 8.887 3.390 422 1HA GLY 65 2HA GLY 65 -13.915 8.199 4.760 423 2HA GLY 65 1HA GLY 65 -13.468 7.800 3.104 424 H ASP 66 H ASP 66 -12.769 5.747 2.721 425 HA ASP 66 HA ASP 66 -11.103 4.256 4.466 426 1HB ASP 66 2HB ASP 66 -13.468 4.342 5.718 427 2HB ASP 66 1HB ASP 66 -13.899 3.099 4.556 428 H VAL 67 H VAL 67 -10.268 2.554 3.284 429 HA VAL 67 HA VAL 67 -9.987 1.081 1.530 430 HB VAL 67 HB VAL 67 -12.978 1.189 1.032 431 1HG1 VAL 67 1HG1 VAL 67 -12.571 -1.242 0.598 432 2HG1 VAL 67 2HG1 VAL 67 -10.847 -0.953 0.814 433 3HG1 VAL 67 3HG1 VAL 67 -11.709 -0.171 -0.502 434 1HG2 VAL 67 1HG2 VAL 67 -12.930 0.959 3.385 435 2HG2 VAL 67 2HG2 VAL 67 -11.468 -0.024 3.355 436 3HG2 VAL 67 3HG2 VAL 67 -13.000 -0.693 2.800 437 H TYR 68 H TYR 68 -9.383 1.475 -0.604 438 HA TYR 68 HA TYR 68 -10.046 4.017 -1.817 439 1HB TYR 68 2HB TYR 68 -7.825 3.154 -2.167 440 2HB TYR 68 1HB TYR 68 -8.465 1.629 -2.814 441 HD1 TYR 68 1HD TYR 68 -9.477 1.529 -5.037 442 HD2 TYR 68 2HD TYR 68 -7.844 5.188 -3.497 443 HE1 TYR 68 1HE TYR 68 -9.555 2.512 -7.306 444 HE2 TYR 68 2HE TYR 68 -7.908 6.172 -5.773 445 HH TYR 68 HH TYR 68 -7.975 4.702 -8.434 446 H SER 69 H SER 69 -12.138 4.198 -2.579 447 HA SER 69 HA SER 69 -13.176 1.921 -4.246 448 1HB SER 69 2HB SER 69 -14.452 3.798 -2.309 449 2HB SER 69 1HB SER 69 -15.404 3.364 -3.730 450 HG SER 69 HG SER 69 -15.346 1.260 -3.156 451 H GLY 70 H GLY 70 -11.479 4.498 -4.884 452 1HA GLY 70 2HA GLY 70 -11.545 5.152 -7.301 453 2HA GLY 70 1HA GLY 70 -13.268 5.452 -7.110 454 H GLY 71 H GLY 71 -10.368 6.359 -5.205 455 1HA GLY 71 2HA GLY 71 -11.412 9.170 -5.172 456 2HA GLY 71 1HA GLY 71 -10.397 8.451 -3.927 457 H SER 72 H SER 72 -8.252 8.933 -4.055 458 HA SER 72 HA SER 72 -7.217 9.838 -6.711 459 1HB SER 72 2HB SER 72 -7.364 11.410 -4.590 460 2HB SER 72 1HB SER 72 -5.836 10.628 -4.178 461 HG SER 72 HG SER 72 -4.939 11.402 -6.026 462 HA PRO 73 HA PRO 73 -4.733 6.100 -5.941 463 1HB PRO 73 2HB PRO 73 -3.975 5.824 -8.578 464 2HB PRO 73 1HB PRO 73 -5.503 5.276 -7.926 465 1HG PRO 73 2HG PRO 73 -4.939 7.662 -9.622 466 2HG PRO 73 1HG PRO 73 -6.404 6.670 -9.535 467 1HD PRO 73 2HD PRO 73 -6.029 9.187 -8.311 468 2HD PRO 73 1HD PRO 73 -7.334 8.039 -7.946 469 H GLY 74 H GLY 74 -2.377 5.734 -7.410 470 1HA GLY 74 2HA GLY 74 -0.142 6.381 -7.343 471 2HA GLY 74 1HA GLY 74 -0.728 7.982 -7.793 472 H ALA 75 H ALA 75 1.272 8.389 -6.237 473 HA ALA 75 HA ALA 75 1.971 9.278 -4.229 474 1HB ALA 75 1HB ALA 75 -0.883 9.364 -3.285 475 2HB ALA 75 2HB ALA 75 -0.340 10.398 -4.604 476 3HB ALA 75 3HB ALA 75 0.426 10.517 -3.027 477 H ASP 76 H ASP 76 0.542 8.900 -1.667 478 HA ASP 76 HA ASP 76 1.767 6.915 -0.390 479 1HB ASP 76 2HB ASP 76 -1.230 7.264 -0.068 480 2HB ASP 76 1HB ASP 76 -0.065 6.756 1.165 481 H ARG 77 H ARG 77 1.549 4.670 0.004 482 HA ARG 77 HA ARG 77 -0.491 3.008 -1.103 483 1HB ARG 77 2HB ARG 77 0.648 3.701 -3.248 484 2HB ARG 77 1HB ARG 77 2.119 2.936 -2.673 485 1HG ARG 77 2HG ARG 77 1.145 0.781 -2.676 486 2HG ARG 77 1HG ARG 77 -0.494 1.433 -2.826 487 1HD ARG 77 2HD ARG 77 -0.204 0.940 -4.992 488 2HD ARG 77 1HD ARG 77 0.602 2.511 -5.059 489 HE ARG 77 HE ARG 77 2.670 0.858 -4.391 490 1HH1 ARG 77 1HH1 ARG 77 0.346 0.959 -6.966 491 2HH1 ARG 77 2HH1 ARG 77 1.173 -0.218 -7.908 492 1HH2 ARG 77 1HH2 ARG 77 3.589 -0.891 -5.521 493 2HH2 ARG 77 2HH2 ARG 77 2.945 -1.347 -7.058 494 H VAL 78 H VAL 78 -0.202 2.197 1.067 495 HA VAL 78 HA VAL 78 2.345 1.147 1.952 496 HB VAL 78 HB VAL 78 0.404 1.886 3.439 497 1HG1 VAL 78 1HG1 VAL 78 -1.404 0.400 3.810 498 2HG1 VAL 78 2HG1 VAL 78 -0.642 -0.917 2.928 499 3HG1 VAL 78 3HG1 VAL 78 -1.264 0.488 2.059 500 1HG2 VAL 78 1HG2 VAL 78 2.373 0.612 4.262 501 2HG2 VAL 78 2HG2 VAL 78 1.520 -0.894 3.912 502 3HG2 VAL 78 3HG2 VAL 78 0.901 0.204 5.145 503 H VAL 79 H VAL 79 3.070 -1.021 1.947 504 HA VAL 79 HA VAL 79 1.482 -2.849 0.174 505 HB VAL 79 HB VAL 79 4.290 -3.553 0.693 506 1HG1 VAL 79 1HG1 VAL 79 3.049 -3.171 -1.983 507 2HG1 VAL 79 2HG1 VAL 79 2.561 -4.503 -0.965 508 3HG1 VAL 79 3HG1 VAL 79 4.203 -4.346 -1.385 509 1HG2 VAL 79 1HG2 VAL 79 4.640 -1.163 0.583 510 2HG2 VAL 79 2HG2 VAL 79 3.585 -1.051 -0.828 511 3HG2 VAL 79 3HG2 VAL 79 5.134 -1.880 -0.938 512 H PHE 80 H PHE 80 2.156 -5.239 0.705 513 HA PHE 80 HA PHE 80 2.706 -5.878 3.432 514 1HB PHE 80 2HB PHE 80 0.425 -6.481 4.112 515 2HB PHE 80 1HB PHE 80 0.494 -4.791 3.696 516 HD1 PHE 80 1HD PHE 80 -0.098 -4.159 1.197 517 HD2 PHE 80 2HD PHE 80 -1.185 -7.838 3.125 518 HE1 PHE 80 1HE PHE 80 -1.875 -4.495 -0.475 519 HE2 PHE 80 2HE PHE 80 -2.968 -8.177 1.443 520 HZ PHE 80 HZ PHE 80 -3.322 -6.502 -0.357 521 H ASN 81 H ASN 81 1.380 -8.265 3.734 522 HA ASN 81 HA ASN 81 1.967 -9.759 1.209 523 1HB ASN 81 2HB ASN 81 3.270 -9.947 3.800 524 2HB ASN 81 1HB ASN 81 2.530 -11.488 3.388 525 1HD2 ASN 81 1HD2 ASN 81 4.643 -9.002 1.988 526 2HD2 ASN 81 2HD2 ASN 81 5.519 -10.104 0.998 527 H GLU 82 H GLU 82 0.894 -10.927 4.370 528 HA GLU 82 HA GLU 82 -1.884 -11.212 3.481 529 1HB GLU 82 2HB GLU 82 -0.856 -13.867 4.272 530 2HB GLU 82 1HB GLU 82 -1.897 -13.412 2.918 531 1HG GLU 82 2HG GLU 82 -0.045 -12.874 1.528 532 2HG GLU 82 1HG GLU 82 1.092 -12.927 2.888 533 H ASN 83 H ASN 83 -0.054 -10.224 5.768 534 HA ASN 83 HA ASN 83 -1.859 -11.124 7.913 535 1HB ASN 83 2HB ASN 83 0.693 -12.323 7.593 536 2HB ASN 83 1HB ASN 83 0.914 -11.155 8.894 537 1HD2 ASN 83 1HD2 ASN 83 0.393 -14.274 8.625 538 2HD2 ASN 83 2HD2 ASN 83 -0.729 -14.523 9.914 539 H ASN 84 H ASN 84 -1.279 -8.661 6.376 540 HA ASN 84 HA ASN 84 -0.890 -6.426 6.717 541 1HB ASN 84 2HB ASN 84 -1.908 -5.511 8.641 542 2HB ASN 84 1HB ASN 84 -2.751 -7.050 8.434 543 1HD2 ASN 84 1HD2 ASN 84 -2.829 -8.323 10.261 544 2HD2 ASN 84 2HD2 ASN 84 -1.745 -8.178 11.599 545 H GLN 85 H GLN 85 1.334 -8.428 7.258 546 HA GLN 85 HA GLN 85 3.010 -7.686 9.371 547 1HB GLN 85 2HB GLN 85 4.203 -8.002 6.636 548 2HB GLN 85 1HB GLN 85 4.778 -8.642 8.172 549 1HG GLN 85 2HG GLN 85 2.364 -9.933 7.926 550 2HG GLN 85 1HG GLN 85 2.840 -9.758 6.226 551 1HE2 GLN 85 1HE2 GLN 85 3.150 -12.130 6.205 552 2HE2 GLN 85 2HE2 GLN 85 4.575 -12.794 6.922 553 H LEU 86 H LEU 86 2.399 -6.123 6.261 554 HA LEU 86 HA LEU 86 2.515 -3.911 5.742 555 1HB LEU 86 2HB LEU 86 2.573 -3.714 8.478 556 2HB LEU 86 1HB LEU 86 4.171 -3.068 8.096 557 HG LEU 86 HG LEU 86 2.689 -1.207 8.090 558 1HD1 LEU 86 1HD1 LEU 86 4.256 -1.522 6.098 559 2HD1 LEU 86 2HD1 LEU 86 2.973 -0.374 5.938 560 3HD1 LEU 86 3HD1 LEU 86 2.829 -1.944 5.148 561 1HD2 LEU 86 1HD2 LEU 86 0.582 -1.187 6.874 562 2HD2 LEU 86 2HD2 LEU 86 0.598 -2.571 7.966 563 3HD2 LEU 86 3HD2 LEU 86 0.899 -2.799 6.247 564 H ALA 87 H ALA 87 3.877 -3.943 4.025 565 HA ALA 87 HA ALA 87 6.716 -4.588 4.283 566 1HB ALA 87 1HB ALA 87 6.732 -4.583 1.987 567 2HB ALA 87 2HB ALA 87 5.714 -3.173 1.861 568 3HB ALA 87 3HB ALA 87 4.994 -4.740 2.206 569 H GLY 88 H GLY 88 4.701 -1.713 4.079 570 1HA GLY 88 2HA GLY 88 5.950 0.160 5.438 571 2HA GLY 88 1HA GLY 88 7.103 0.054 4.107 572 H VAL 89 H VAL 89 5.743 2.441 4.576 573 HA VAL 89 HA VAL 89 3.513 2.504 2.615 574 HB VAL 89 HB VAL 89 4.628 4.693 4.352 575 1HG1 VAL 89 1HG1 VAL 89 2.169 4.524 2.607 576 2HG1 VAL 89 2HG1 VAL 89 3.537 5.620 2.405 577 3HG1 VAL 89 3HG1 VAL 89 2.459 5.808 3.780 578 1HG2 VAL 89 1HG2 VAL 89 3.572 2.906 5.692 579 2HG2 VAL 89 2HG2 VAL 89 2.196 2.915 4.630 580 3HG2 VAL 89 3HG2 VAL 89 2.500 4.295 5.645 581 H ILE 90 H ILE 90 3.907 3.065 0.544 582 HA ILE 90 HA ILE 90 6.406 4.607 -0.061 583 HB ILE 90 HB ILE 90 6.085 3.474 -2.381 584 1HG1 ILE 90 2HG1 ILE 90 4.523 1.622 -0.551 585 2HG1 ILE 90 1HG1 ILE 90 3.923 2.445 -2.005 586 1HG2 ILE 90 1HG2 ILE 90 6.977 1.691 -0.121 587 2HG2 ILE 90 2HG2 ILE 90 7.916 3.077 -0.671 588 3HG2 ILE 90 3HG2 ILE 90 7.596 1.748 -1.773 589 1HD1 ILE 90 1HD1 ILE 90 5.875 1.098 -3.141 590 2HD1 ILE 90 2HD1 ILE 90 4.365 0.310 -2.777 591 3HD1 ILE 90 3HD1 ILE 90 5.748 0.113 -1.710 592 H THR 91 H THR 91 6.066 5.696 -2.362 593 HA THR 91 HA THR 91 3.291 6.626 -2.637 594 HB THR 91 HB THR 91 4.587 8.155 -1.062 595 HG1 THR 91 1HG THR 91 3.785 9.465 -3.457 596 1HG2 THR 91 1HG2 THR 91 6.669 7.884 -2.622 597 2HG2 THR 91 2HG2 THR 91 6.350 9.435 -1.859 598 3HG2 THR 91 3HG2 THR 91 5.920 9.186 -3.548 599 H HIS 92 H HIS 92 2.805 7.379 -4.726 600 HA HIS 92 HA HIS 92 4.747 6.707 -6.813 601 1HB HIS 92 2HB HIS 92 1.875 6.522 -6.536 602 2HB HIS 92 1HB HIS 92 2.253 7.465 -7.982 603 HD1 HIS 92 1HD HIS 92 1.802 5.744 -9.732 604 HD2 HIS 92 2HD HIS 92 4.358 4.377 -6.749 605 HE1 HIS 92 1HE HIS 92 2.662 3.500 -10.515 606 HE2 HIS 92 2HE HIS 92 4.514 2.969 -8.920 607 H THR 93 H THR 93 5.994 8.712 -6.252 608 HA THR 93 HA THR 93 5.530 10.767 -8.131 609 HB THR 93 HB THR 93 5.014 12.380 -5.829 610 HG1 THR 93 1HG THR 93 3.326 11.400 -4.856 611 1HG2 THR 93 1HG2 THR 93 4.160 13.121 -7.844 612 2HG2 THR 93 2HG2 THR 93 2.716 12.521 -7.037 613 3HG2 THR 93 3HG2 THR 93 3.485 11.556 -8.292 614 H GLY 94 H GLY 94 7.538 11.617 -8.403 615 1HA GLY 94 2HA GLY 94 9.348 12.961 -7.363 616 2HA GLY 94 1HA GLY 94 9.311 11.878 -5.978 617 H ALA 95 H ALA 95 8.825 9.953 -8.658 618 HA ALA 95 HA ALA 95 11.742 9.636 -9.208 619 1HB ALA 95 1HB ALA 95 9.876 7.645 -7.996 620 2HB ALA 95 2HB ALA 95 11.562 7.962 -7.637 621 3HB ALA 95 3HB ALA 95 11.140 7.066 -9.089 622 H SER 96 H SER 96 11.402 10.421 -11.337 623 HA SER 96 HA SER 96 10.596 10.392 -13.537 624 1HB SER 96 2HB SER 96 11.591 7.721 -12.767 625 2HB SER 96 1HB SER 96 10.525 7.683 -14.174 626 HG SER 96 HG SER 96 12.657 8.071 -14.806 627 H GLY 97 H GLY 97 8.406 11.126 -13.090 628 1HA GLY 97 2HA GLY 97 6.116 10.853 -13.587 629 2HA GLY 97 1HA GLY 97 6.376 9.124 -13.825 630 H ASN 98 H ASN 98 6.729 7.823 -11.791 631 HA ASN 98 HA ASN 98 5.642 9.100 -9.337 632 1HB ASN 98 2HB ASN 98 4.367 6.610 -9.443 633 2HB ASN 98 1HB ASN 98 3.603 8.172 -9.626 634 1HD2 ASN 98 1HD2 ASN 98 2.484 8.397 -11.537 635 2HD2 ASN 98 2HD2 ASN 98 2.828 7.510 -12.979 636 H ASN 99 H ASN 99 6.101 5.662 -10.232 637 HA ASN 99 HA ASN 99 7.431 4.053 -9.250 638 1HB ASN 99 2HB ASN 99 9.114 6.364 -9.640 639 2HB ASN 99 1HB ASN 99 9.581 5.584 -8.134 640 1HD2 ASN 99 1HD2 ASN 99 8.764 4.695 -11.519 641 2HD2 ASN 99 2HD2 ASN 99 9.958 3.449 -11.592 642 H PHE 100 H PHE 100 8.064 3.241 -7.086 643 HA PHE 100 HA PHE 100 6.605 4.744 -4.962 644 1HB PHE 100 2HB PHE 100 7.419 2.014 -4.274 645 2HB PHE 100 1HB PHE 100 5.863 2.822 -4.139 646 HD1 PHE 100 1HD PHE 100 4.141 2.504 -5.696 647 HD2 PHE 100 2HD PHE 100 8.113 1.096 -6.541 648 HE1 PHE 100 1HE PHE 100 3.300 1.272 -7.680 649 HE2 PHE 100 2HE PHE 100 7.248 -0.160 -8.498 650 HZ PHE 100 HZ PHE 100 4.832 -0.078 -9.056 651 H VAL 101 H VAL 101 7.657 5.440 -3.163 652 HA VAL 101 HA VAL 101 10.334 4.427 -2.554 653 HB VAL 101 HB VAL 101 10.994 6.964 -2.217 654 1HG1 VAL 101 1HG1 VAL 101 12.030 5.373 -3.817 655 2HG1 VAL 101 2HG1 VAL 101 11.927 7.003 -4.459 656 3HG1 VAL 101 3HG1 VAL 101 10.791 5.767 -5.000 657 1HG2 VAL 101 1HG2 VAL 101 8.862 7.151 -4.383 658 2HG2 VAL 101 2HG2 VAL 101 9.894 8.445 -3.789 659 3HG2 VAL 101 3HG2 VAL 101 8.680 7.747 -2.732 660 H GLU 102 H GLU 102 10.987 5.037 -0.322 661 HA GLU 102 HA GLU 102 8.860 4.786 1.519 662 1HB GLU 102 2HB GLU 102 10.547 5.306 3.263 663 2HB GLU 102 1HB GLU 102 11.177 4.156 2.073 664 1HG GLU 102 2HG GLU 102 12.326 5.996 0.889 665 2HG GLU 102 1HG GLU 102 11.721 7.140 2.086 666 H CYS 103 H CYS 103 7.533 6.300 2.415 667 HA CYS 103 HA CYS 103 7.167 8.814 1.435 668 1HB CYS 103 2HB CYS 103 6.377 7.409 3.867 669 2HB CYS 103 1HB CYS 103 6.644 9.117 4.238 670 H THR 104 H THR 104 8.568 10.491 1.213 671 HA THR 104 HA THR 104 10.792 10.761 3.185 672 HB THR 104 HB THR 104 11.393 12.654 1.388 673 HG1 THR 104 1HG THR 104 9.964 10.874 -0.294 674 1HG2 THR 104 1HG2 THR 104 11.618 9.690 0.803 675 2HG2 THR 104 2HG2 THR 104 12.714 10.623 1.827 676 3HG2 THR 104 3HG2 THR 104 12.610 10.969 0.102 Start of MODEL 13 1 1H ALA 1 1HT ALA 1 -0.886 12.230 16.900 2 2H ALA 1 2HT ALA 1 -1.680 11.115 15.859 3 3H ALA 1 3HT ALA 1 -0.875 12.489 15.209 4 HA ALA 1 HA ALA 1 1.237 11.656 15.971 5 1HB ALA 1 1HB ALA 1 -0.402 9.258 16.847 6 2HB ALA 1 2HB ALA 1 0.401 10.408 17.916 7 3HB ALA 1 3HB ALA 1 1.362 9.363 16.871 8 H CYS 2 H CYS 2 2.395 9.907 14.696 9 HA CYS 2 HA CYS 2 1.224 8.242 12.858 10 1HB CYS 2 2HB CYS 2 1.550 9.785 10.729 11 2HB CYS 2 1HB CYS 2 0.061 9.809 11.665 12 H ASP 3 H ASP 3 2.965 6.923 12.530 13 HA ASP 3 HA ASP 3 5.661 8.051 12.593 14 1HB ASP 3 2HB ASP 3 5.164 5.800 13.526 15 2HB ASP 3 1HB ASP 3 4.733 5.229 11.908 16 H TYR 4 H TYR 4 3.358 6.953 10.143 17 HA TYR 4 HA TYR 4 5.392 7.406 8.009 18 1HB TYR 4 2HB TYR 4 2.636 6.118 8.050 19 2HB TYR 4 1HB TYR 4 3.469 6.510 6.540 20 HD1 TYR 4 1HD TYR 4 2.764 3.822 8.416 21 HD2 TYR 4 2HD TYR 4 6.222 5.894 6.941 22 HE1 TYR 4 1HE TYR 4 4.075 1.724 8.555 23 HE2 TYR 4 2HE TYR 4 7.539 3.807 7.087 24 HH TYR 4 HH TYR 4 7.056 1.277 7.070 25 H THR 5 H THR 5 5.512 9.656 7.884 26 HA THR 5 HA THR 5 2.922 11.032 7.244 27 HB THR 5 HB THR 5 4.827 13.009 7.913 28 HG1 THR 5 1HG THR 5 6.223 11.629 8.893 29 1HG2 THR 5 1HG2 THR 5 2.889 11.776 9.826 30 2HG2 THR 5 2HG2 THR 5 2.357 12.728 8.465 31 3HG2 THR 5 3HG2 THR 5 3.356 13.469 9.706 32 H CYS 6 H CYS 6 2.845 11.106 5.047 33 HA CYS 6 HA CYS 6 5.305 11.518 3.472 34 1HB CYS 6 2HB CYS 6 2.361 11.310 2.708 35 2HB CYS 6 1HB CYS 6 3.667 11.482 1.526 36 H GLY 7 H GLY 7 4.706 13.241 1.517 37 1HA GLY 7 2HA GLY 7 5.289 15.634 1.528 38 2HA GLY 7 1HA GLY 7 3.552 15.501 1.286 39 H SER 8 H SER 8 2.185 15.636 3.282 40 HA SER 8 HA SER 8 3.408 16.739 5.703 41 1HB SER 8 2HB SER 8 1.962 18.906 5.451 42 2HB SER 8 1HB SER 8 3.464 18.796 4.530 43 HG SER 8 HG SER 8 0.817 18.500 3.616 44 H ASN 9 H ASN 9 1.955 14.499 5.652 45 HA ASN 9 HA ASN 9 -0.795 15.325 6.542 46 1HB ASN 9 2HB ASN 9 0.083 12.623 5.451 47 2HB ASN 9 1HB ASN 9 -1.560 13.136 5.865 48 1HD2 ASN 9 1HD2 ASN 9 -2.487 13.072 3.789 49 2HD2 ASN 9 2HD2 ASN 9 -1.935 14.077 2.507 50 H CYS 10 H CYS 10 -1.086 12.475 7.577 51 HA CYS 10 HA CYS 10 0.851 12.240 9.679 52 1HB CYS 10 2HB CYS 10 -0.609 14.119 10.484 53 2HB CYS 10 1HB CYS 10 -1.981 13.004 10.434 54 H TYR 11 H TYR 11 0.529 10.298 8.028 55 HA TYR 11 HA TYR 11 -1.721 8.536 8.802 56 1HB TYR 11 2HB TYR 11 0.553 8.300 6.809 57 2HB TYR 11 1HB TYR 11 -0.539 6.953 7.147 58 HD1 TYR 11 1HD TYR 11 -2.220 6.729 5.604 59 HD2 TYR 11 2HD TYR 11 -0.875 10.664 6.598 60 HE1 TYR 11 1HE TYR 11 -3.859 7.701 4.022 61 HE2 TYR 11 2HE TYR 11 -2.546 11.627 5.074 62 HH TYR 11 HH TYR 11 -3.846 10.395 2.717 63 H SER 12 H SER 12 -1.495 7.413 10.681 64 HA SER 12 HA SER 12 1.201 6.764 11.674 65 1HB SER 12 2HB SER 12 -1.073 7.476 12.981 66 2HB SER 12 1HB SER 12 -1.181 5.719 13.120 67 HG SER 12 HG SER 12 0.044 6.852 14.808 68 H SER 13 H SER 13 2.152 4.808 11.499 69 HA SER 13 HA SER 13 1.361 2.841 9.726 70 1HB SER 13 2HB SER 13 3.071 1.555 10.573 71 2HB SER 13 1HB SER 13 3.498 3.088 11.343 72 HG SER 13 HG SER 13 3.409 1.432 12.892 73 H SER 14 H SER 14 0.379 3.179 13.117 74 HA SER 14 HA SER 14 -0.961 0.702 13.399 75 1HB SER 14 2HB SER 14 -0.840 3.232 14.833 76 2HB SER 14 1HB SER 14 -2.498 2.631 14.815 77 HG SER 14 HG SER 14 -0.182 1.414 15.850 78 H ASP 15 H ASP 15 -2.201 3.843 12.243 79 HA ASP 15 HA ASP 15 -4.836 2.769 11.652 80 1HB ASP 15 2HB ASP 15 -3.380 5.348 11.273 81 2HB ASP 15 1HB ASP 15 -4.625 5.013 10.069 82 H VAL 16 H VAL 16 -1.772 2.871 10.014 83 HA VAL 16 HA VAL 16 -2.717 2.536 7.345 84 HB VAL 16 HB VAL 16 -0.136 1.536 8.595 85 1HG1 VAL 16 1HG1 VAL 16 -0.896 2.015 5.702 86 2HG1 VAL 16 2HG1 VAL 16 -0.642 0.435 6.441 87 3HG1 VAL 16 3HG1 VAL 16 0.696 1.564 6.299 88 1HG2 VAL 16 1HG2 VAL 16 -0.460 3.979 8.809 89 2HG2 VAL 16 2HG2 VAL 16 -0.759 4.096 7.099 90 3HG2 VAL 16 3HG2 VAL 16 0.821 3.605 7.691 91 H SER 17 H SER 17 -2.210 0.335 10.046 92 HA SER 17 HA SER 17 -2.342 -2.122 8.627 93 1HB SER 17 2HB SER 17 -1.729 -1.759 11.074 94 2HB SER 17 1HB SER 17 -3.461 -1.664 11.410 95 HG SER 17 HG SER 17 -1.940 -3.852 10.477 96 H THR 18 H THR 18 -4.938 -0.135 10.107 97 HA THR 18 HA THR 18 -7.076 -1.900 9.437 98 HB THR 18 HB THR 18 -8.217 0.639 9.222 99 HG1 THR 18 1HG THR 18 -7.041 2.015 10.443 100 1HG2 THR 18 1HG2 THR 18 -8.911 -1.166 10.745 101 2HG2 THR 18 2HG2 THR 18 -8.758 0.374 11.588 102 3HG2 THR 18 3HG2 THR 18 -7.501 -0.850 11.762 103 H ALA 19 H ALA 19 -5.728 0.879 7.648 104 HA ALA 19 HA ALA 19 -7.390 0.424 5.315 105 1HB ALA 19 1HB ALA 19 -5.771 1.977 4.206 106 2HB ALA 19 2HB ALA 19 -4.805 1.906 5.686 107 3HB ALA 19 3HB ALA 19 -6.412 2.620 5.726 108 H GLN 20 H GLN 20 -4.639 -1.160 6.594 109 HA GLN 20 HA GLN 20 -3.599 -2.034 4.062 110 1HB GLN 20 2HB GLN 20 -2.590 -1.981 6.664 111 2HB GLN 20 1HB GLN 20 -2.844 -3.691 6.401 112 1HG GLN 20 2HG GLN 20 -1.089 -1.776 4.887 113 2HG GLN 20 1HG GLN 20 -0.675 -3.336 5.614 114 1HE2 GLN 20 1HE2 GLN 20 -1.777 -1.817 2.723 115 2HE2 GLN 20 2HE2 GLN 20 -2.143 -3.232 1.860 116 H ALA 21 H ALA 21 -5.796 -3.235 6.530 117 HA ALA 21 HA ALA 21 -6.043 -5.896 5.360 118 1HB ALA 21 1HB ALA 21 -7.946 -6.129 6.920 119 2HB ALA 21 2HB ALA 21 -7.826 -4.412 7.316 120 3HB ALA 21 3HB ALA 21 -6.512 -5.508 7.739 121 H ALA 22 H ALA 22 -7.222 -2.766 4.614 122 HA ALA 22 HA ALA 22 -9.764 -3.522 3.475 123 1HB ALA 22 1HB ALA 22 -9.980 -1.312 3.113 124 2HB ALA 22 2HB ALA 22 -8.402 -1.137 2.363 125 3HB ALA 22 3HB ALA 22 -8.557 -1.140 4.113 126 H GLY 23 H GLY 23 -6.454 -3.057 2.205 127 1HA GLY 23 2HA GLY 23 -7.261 -3.773 -0.527 128 2HA GLY 23 1HA GLY 23 -5.618 -3.495 0.043 129 H TYR 24 H TYR 24 -5.815 -5.338 2.270 130 HA TYR 24 HA TYR 24 -4.975 -7.695 0.894 131 1HB TYR 24 2HB TYR 24 -4.131 -7.121 3.138 132 2HB TYR 24 1HB TYR 24 -5.761 -7.296 3.807 133 HD1 TYR 24 1HD TYR 24 -5.378 -9.092 5.326 134 HD2 TYR 24 2HD TYR 24 -4.221 -9.468 1.201 135 HE1 TYR 24 1HE TYR 24 -4.981 -11.518 5.649 136 HE2 TYR 24 2HE TYR 24 -3.837 -11.877 1.520 137 HH TYR 24 HH TYR 24 -4.992 -13.682 3.705 138 H GLN 25 H GLN 25 -7.990 -6.820 2.574 139 HA GLN 25 HA GLN 25 -9.228 -9.378 2.397 140 1HB GLN 25 2HB GLN 25 -9.987 -6.771 3.262 141 2HB GLN 25 1HB GLN 25 -11.172 -7.212 2.057 142 1HG GLN 25 2HG GLN 25 -12.207 -8.419 3.589 143 2HG GLN 25 1HG GLN 25 -10.858 -9.556 3.577 144 1HE2 GLN 25 1HE2 GLN 25 -12.315 -6.871 5.319 145 2HE2 GLN 25 2HE2 GLN 25 -11.283 -7.004 6.699 146 H LEU 26 H LEU 26 -9.975 -6.533 0.339 147 HA LEU 26 HA LEU 26 -11.388 -7.810 -1.660 148 1HB LEU 26 2HB LEU 26 -9.721 -5.394 -1.455 149 2HB LEU 26 1HB LEU 26 -9.671 -6.067 -3.080 150 HG LEU 26 HG LEU 26 -11.524 -4.400 -2.708 151 1HD1 LEU 26 1HD1 LEU 26 -12.395 -7.227 -3.373 152 2HD1 LEU 26 2HD1 LEU 26 -11.575 -6.136 -4.468 153 3HD1 LEU 26 3HD1 LEU 26 -13.186 -5.738 -3.881 154 1HD2 LEU 26 1HD2 LEU 26 -13.312 -4.872 -1.295 155 2HD2 LEU 26 2HD2 LEU 26 -11.940 -5.385 -0.323 156 3HD2 LEU 26 3HD2 LEU 26 -12.930 -6.583 -1.162 157 H HIS 27 H HIS 27 -7.872 -7.616 -1.361 158 HA HIS 27 HA HIS 27 -7.082 -8.856 -3.718 159 1HB HIS 27 2HB HIS 27 -5.401 -8.027 -2.208 160 2HB HIS 27 1HB HIS 27 -5.934 -9.093 -0.928 161 HD1 HIS 27 1HD HIS 27 -5.555 -10.339 -4.446 162 HD2 HIS 27 2HD HIS 27 -3.502 -10.514 -0.818 163 HE1 HIS 27 1HE HIS 27 -3.767 -12.092 -4.724 164 HE2 HIS 27 2HE HIS 27 -2.719 -12.393 -2.442 165 H GLU 28 H GLU 28 -7.347 -10.692 -0.647 166 HA GLU 28 HA GLU 28 -7.531 -13.192 -2.131 167 1HB GLU 28 2HB GLU 28 -7.061 -12.372 0.606 168 2HB GLU 28 1HB GLU 28 -8.350 -13.575 0.604 169 1HG GLU 28 2HG GLU 28 -5.700 -13.915 -0.841 170 2HG GLU 28 1HG GLU 28 -6.062 -14.552 0.770 171 H ASP 29 H ASP 29 -9.783 -10.842 -1.727 172 HA ASP 29 HA ASP 29 -12.050 -12.534 -1.043 173 1HB ASP 29 2HB ASP 29 -11.589 -9.667 -1.565 174 2HB ASP 29 1HB ASP 29 -13.156 -10.233 -2.051 175 H GLY 30 H GLY 30 -10.461 -11.370 -3.969 176 1HA GLY 30 2HA GLY 30 -10.713 -12.481 -6.069 177 2HA GLY 30 1HA GLY 30 -12.267 -13.133 -5.556 178 H GLU 31 H GLU 31 -12.694 -10.160 -4.500 179 HA GLU 31 HA GLU 31 -14.079 -9.317 -6.936 180 1HB GLU 31 2HB GLU 31 -14.776 -9.098 -4.360 181 2HB GLU 31 1HB GLU 31 -13.918 -7.610 -4.478 182 1HG GLU 31 2HG GLU 31 -15.867 -6.763 -5.202 183 2HG GLU 31 1HG GLU 31 -15.352 -7.407 -6.767 184 H THR 32 H THR 32 -13.667 -6.394 -6.241 185 HA THR 32 HA THR 32 -10.836 -5.919 -6.611 186 HB THR 32 HB THR 32 -12.361 -4.700 -8.856 187 HG1 THR 32 1HG THR 32 -12.788 -6.551 -9.924 188 1HG2 THR 32 1HG2 THR 32 -9.735 -5.137 -8.254 189 2HG2 THR 32 2HG2 THR 32 -10.397 -4.841 -9.870 190 3HG2 THR 32 3HG2 THR 32 -10.066 -6.484 -9.348 191 H VAL 33 H VAL 33 -10.856 -3.356 -7.469 192 HA VAL 33 HA VAL 33 -12.189 -1.990 -5.226 193 HB VAL 33 HB VAL 33 -11.047 0.081 -6.456 194 1HG1 VAL 33 1HG1 VAL 33 -10.426 -0.994 -4.270 195 2HG1 VAL 33 2HG1 VAL 33 -9.084 -0.307 -5.172 196 3HG1 VAL 33 3HG1 VAL 33 -9.337 -2.055 -5.171 197 1HG2 VAL 33 1HG2 VAL 33 -9.286 -0.437 -7.924 198 2HG2 VAL 33 2HG2 VAL 33 -10.542 -1.538 -8.480 199 3HG2 VAL 33 3HG2 VAL 33 -9.284 -2.104 -7.421 200 H GLY 34 H GLY 34 -11.972 -0.291 -8.308 201 1HA GLY 34 2HA GLY 34 -14.951 -0.213 -8.393 202 2HA GLY 34 1HA GLY 34 -13.888 1.109 -8.861 203 H SER 35 H SER 35 -12.025 -0.994 -10.138 204 HA SER 35 HA SER 35 -13.248 -2.442 -12.149 205 1HB SER 35 2HB SER 35 -13.547 0.458 -12.595 206 2HB SER 35 1HB SER 35 -12.713 -0.335 -13.917 207 HG SER 35 HG SER 35 -15.292 -0.846 -12.936 208 H ASN 36 H ASN 36 -10.723 0.024 -11.640 209 HA ASN 36 HA ASN 36 -8.876 -1.289 -13.487 210 1HB ASN 36 2HB ASN 36 -8.604 0.928 -11.426 211 2HB ASN 36 1HB ASN 36 -7.219 0.336 -12.356 212 1HD2 ASN 36 1HD2 ASN 36 -8.249 3.015 -12.583 213 2HD2 ASN 36 2HD2 ASN 36 -8.851 3.174 -14.194 214 H SER 37 H SER 37 -9.901 -1.962 -10.309 215 HA SER 37 HA SER 37 -9.123 -3.467 -8.756 216 1HB SER 37 2HB SER 37 -8.026 -5.371 -9.558 217 2HB SER 37 1HB SER 37 -8.659 -4.720 -11.078 218 HG SER 37 HG SER 37 -6.481 -5.110 -11.332 219 H TYR 38 H TYR 38 -7.693 -3.193 -7.062 220 HA TYR 38 HA TYR 38 -5.217 -1.661 -7.673 221 1HB TYR 38 2HB TYR 38 -7.342 -0.843 -6.113 222 2HB TYR 38 1HB TYR 38 -6.136 -1.324 -4.917 223 HD1 TYR 38 1HD TYR 38 -3.595 -0.712 -5.968 224 HD2 TYR 38 2HD TYR 38 -7.268 1.432 -6.525 225 HE1 TYR 38 1HE TYR 38 -2.309 1.338 -6.436 226 HE2 TYR 38 2HE TYR 38 -5.990 3.488 -6.990 227 HH TYR 38 HH TYR 38 -3.000 3.677 -7.898 228 HA PRO 39 HA PRO 39 -3.918 -4.604 -4.146 229 1HB PRO 39 2HB PRO 39 -5.396 -6.855 -3.765 230 2HB PRO 39 1HB PRO 39 -5.660 -5.344 -2.902 231 1HG PRO 39 2HG PRO 39 -7.284 -6.567 -5.084 232 2HG PRO 39 1HG PRO 39 -7.780 -5.424 -3.826 233 1HD PRO 39 2HD PRO 39 -7.192 -4.847 -6.536 234 2HD PRO 39 1HD PRO 39 -7.497 -3.661 -5.236 235 H HIS 40 H HIS 40 -2.179 -5.141 -5.526 236 HA HIS 40 HA HIS 40 -2.394 -7.867 -6.739 237 1HB HIS 40 2HB HIS 40 -0.645 -6.326 -8.433 238 2HB HIS 40 1HB HIS 40 -2.153 -7.147 -8.850 239 HD1 HIS 40 1HD HIS 40 -4.379 -5.749 -8.498 240 HD2 HIS 40 2HD HIS 40 -0.849 -3.588 -8.497 241 HE1 HIS 40 1HE HIS 40 -4.969 -3.379 -8.922 242 HE2 HIS 40 2HE HIS 40 -2.858 -2.060 -9.058 243 H LYS 41 H LYS 41 -0.617 -9.111 -6.332 244 HA LYS 41 HA LYS 41 1.275 -8.397 -4.429 245 1HB LYS 41 2HB LYS 41 1.181 -10.691 -4.873 246 2HB LYS 41 1HB LYS 41 1.292 -10.451 -6.591 247 1HG LYS 41 2HG LYS 41 3.653 -9.472 -5.078 248 2HG LYS 41 1HG LYS 41 3.330 -11.178 -4.894 249 1HD LYS 41 2HD LYS 41 2.988 -10.446 -7.684 250 2HD LYS 41 1HD LYS 41 4.548 -9.881 -7.086 251 1HE LYS 41 2HE LYS 41 3.696 -12.670 -6.357 252 2HE LYS 41 1HE LYS 41 4.234 -12.343 -8.006 253 1HZ LYS 41 1HZ LYS 41 5.751 -11.917 -5.503 254 2HZ LYS 41 2HZ LYS 41 6.235 -11.243 -6.966 255 3HZ LYS 41 3HZ LYS 41 6.150 -12.916 -6.803 256 H TYR 42 H TYR 42 3.115 -7.142 -4.441 257 HA TYR 42 HA TYR 42 4.060 -6.160 -7.087 258 1HB TYR 42 2HB TYR 42 3.255 -4.285 -5.876 259 2HB TYR 42 1HB TYR 42 3.937 -4.862 -4.354 260 HD1 TYR 42 1HD TYR 42 5.501 -3.259 -3.688 261 HD2 TYR 42 2HD TYR 42 5.455 -4.596 -7.770 262 HE1 TYR 42 1HE TYR 42 7.579 -1.981 -4.130 263 HE2 TYR 42 2HE TYR 42 7.538 -3.334 -8.211 264 HH TYR 42 HH TYR 42 8.643 -1.068 -6.946 265 H ASN 43 H ASN 43 6.263 -6.374 -7.532 266 HA ASN 43 HA ASN 43 7.779 -8.147 -5.742 267 1HB ASN 43 2HB ASN 43 7.976 -7.229 -8.571 268 2HB ASN 43 1HB ASN 43 9.527 -7.505 -7.774 269 1HD2 ASN 43 1HD2 ASN 43 6.625 -9.095 -8.913 270 2HD2 ASN 43 2HD2 ASN 43 7.248 -10.688 -8.677 271 H ASN 44 H ASN 44 9.360 -5.531 -7.523 272 HA ASN 44 HA ASN 44 9.689 -3.668 -5.471 273 1HB ASN 44 2HB ASN 44 11.219 -6.099 -5.007 274 2HB ASN 44 1HB ASN 44 12.286 -4.711 -5.186 275 1HD2 ASN 44 1HD2 ASN 44 12.131 -2.997 -3.654 276 2HD2 ASN 44 2HD2 ASN 44 11.360 -3.266 -2.149 277 H TYR 45 H TYR 45 11.102 -1.962 -6.150 278 HA TYR 45 HA TYR 45 12.712 -2.459 -8.606 279 1HB TYR 45 2HB TYR 45 10.476 -0.425 -8.262 280 2HB TYR 45 1HB TYR 45 11.753 -0.196 -9.468 281 HD1 TYR 45 1HD TYR 45 12.261 -2.919 -10.431 282 HD2 TYR 45 2HD TYR 45 8.554 -0.948 -9.503 283 HE1 TYR 45 1HE TYR 45 11.080 -4.409 -12.005 284 HE2 TYR 45 2HE TYR 45 7.370 -2.438 -11.092 285 HH TYR 45 HH TYR 45 8.482 -3.948 -13.410 286 H GLU 46 H GLU 46 11.761 0.455 -6.795 287 HA GLU 46 HA GLU 46 14.095 1.840 -6.922 288 1HB GLU 46 2HB GLU 46 11.791 1.970 -5.407 289 2HB GLU 46 1HB GLU 46 13.035 1.723 -4.181 290 1HG GLU 46 2HG GLU 46 13.870 3.674 -6.188 291 2HG GLU 46 1HG GLU 46 12.334 4.113 -5.438 292 H GLY 47 H GLY 47 13.457 -0.932 -4.784 293 1HA GLY 47 2HA GLY 47 15.229 -2.456 -4.184 294 2HA GLY 47 1HA GLY 47 16.406 -1.153 -4.314 295 H PHE 48 H PHE 48 13.397 -1.860 -2.487 296 HA PHE 48 HA PHE 48 14.469 -0.336 -0.181 297 1HB PHE 48 2HB PHE 48 11.872 -1.862 -0.290 298 2HB PHE 48 1HB PHE 48 12.278 -0.493 0.744 299 HD1 PHE 48 1HD PHE 48 10.610 -1.429 -2.220 300 HD2 PHE 48 2HD PHE 48 13.000 1.705 -0.536 301 HE1 PHE 48 1HE PHE 48 9.702 0.131 -3.889 302 HE2 PHE 48 2HE PHE 48 12.089 3.282 -2.217 303 HZ PHE 48 HZ PHE 48 10.444 2.485 -3.885 304 H ASP 49 H ASP 49 13.497 -1.764 1.963 305 HA ASP 49 HA ASP 49 14.829 -4.429 1.690 306 1HB ASP 49 2HB ASP 49 15.638 -2.207 3.306 307 2HB ASP 49 1HB ASP 49 14.985 -3.425 4.407 308 H PHE 50 H PHE 50 12.364 -2.503 3.402 309 HA PHE 50 HA PHE 50 10.524 -3.231 4.636 310 1HB PHE 50 2HB PHE 50 10.606 -5.465 2.575 311 2HB PHE 50 1HB PHE 50 9.176 -4.912 3.479 312 HD1 PHE 50 1HD PHE 50 10.012 -4.963 0.341 313 HD2 PHE 50 2HD PHE 50 9.599 -1.959 3.374 314 HE1 PHE 50 1HE PHE 50 9.517 -3.272 -1.396 315 HE2 PHE 50 2HE PHE 50 9.123 -0.271 1.646 316 HZ PHE 50 HZ PHE 50 9.066 -0.924 -0.735 317 H SER 51 H SER 51 9.537 -5.683 5.330 318 HA SER 51 HA SER 51 11.599 -7.534 6.161 319 1HB SER 51 2HB SER 51 11.118 -5.235 7.844 320 2HB SER 51 1HB SER 51 10.583 -6.673 8.706 321 HG SER 51 HG SER 51 13.138 -6.045 7.716 322 H VAL 52 H VAL 52 8.937 -7.540 4.876 323 HA VAL 52 HA VAL 52 7.371 -9.072 6.915 324 HB VAL 52 HB VAL 52 6.315 -8.063 4.270 325 1HG1 VAL 52 1HG1 VAL 52 5.014 -9.773 5.456 326 2HG1 VAL 52 2HG1 VAL 52 4.179 -8.223 5.448 327 3HG1 VAL 52 3HG1 VAL 52 5.015 -8.765 6.904 328 1HG2 VAL 52 1HG2 VAL 52 7.214 -6.117 5.467 329 2HG2 VAL 52 2HG2 VAL 52 6.354 -6.614 6.926 330 3HG2 VAL 52 3HG2 VAL 52 5.459 -6.125 5.488 331 H SER 53 H SER 53 7.744 -9.141 3.327 332 HA SER 53 HA SER 53 8.761 -11.862 3.392 333 1HB SER 53 2HB SER 53 5.887 -11.407 2.500 334 2HB SER 53 1HB SER 53 6.793 -12.910 2.291 335 HG SER 53 HG SER 53 6.797 -13.248 4.437 336 H SER 54 H SER 54 8.510 -12.780 0.992 337 HA SER 54 HA SER 54 9.752 -10.777 -0.731 338 1HB SER 54 2HB SER 54 8.900 -13.345 -1.977 339 2HB SER 54 1HB SER 54 10.458 -12.539 -1.944 340 HG SER 54 HG SER 54 10.257 -14.556 -0.694 341 HA PRO 55 HA PRO 55 5.780 -11.438 -3.317 342 1HB PRO 55 2HB PRO 55 3.722 -12.833 -2.162 343 2HB PRO 55 1HB PRO 55 5.005 -13.571 -3.113 344 1HG PRO 55 2HG PRO 55 4.624 -13.600 -0.147 345 2HG PRO 55 1HG PRO 55 5.415 -14.798 -1.186 346 1HD PRO 55 2HD PRO 55 6.666 -12.859 0.388 347 2HD PRO 55 1HD PRO 55 7.447 -13.845 -0.833 348 H TYR 56 H TYR 56 5.921 -9.186 -2.550 349 HA TYR 56 HA TYR 56 4.171 -8.340 -0.366 350 1HB TYR 56 2HB TYR 56 5.841 -6.921 -2.441 351 2HB TYR 56 1HB TYR 56 4.768 -6.019 -1.433 352 HD1 TYR 56 1HD TYR 56 8.017 -7.162 -1.722 353 HD2 TYR 56 2HD TYR 56 4.889 -6.691 1.173 354 HE1 TYR 56 1HE TYR 56 9.696 -7.192 0.101 355 HE2 TYR 56 2HE TYR 56 6.556 -6.703 2.987 356 HH TYR 56 HH TYR 56 9.499 -7.877 2.801 357 H TYR 57 H TYR 57 2.828 -6.175 -1.228 358 HA TYR 57 HA TYR 57 1.337 -6.704 -3.681 359 1HB TYR 57 2HB TYR 57 0.104 -6.922 -0.944 360 2HB TYR 57 1HB TYR 57 -0.865 -6.689 -2.415 361 HD1 TYR 57 1HD TYR 57 1.497 -8.975 -0.681 362 HD2 TYR 57 2HD TYR 57 -1.353 -8.502 -3.858 363 HE1 TYR 57 1HE TYR 57 1.548 -11.416 -1.088 364 HE2 TYR 57 2HE TYR 57 -1.303 -10.948 -4.264 365 HH TYR 57 HH TYR 57 -0.469 -13.135 -2.328 366 H GLU 58 H GLU 58 -0.117 -4.885 -4.186 367 HA GLU 58 HA GLU 58 0.741 -2.430 -2.681 368 1HB GLU 58 2HB GLU 58 0.102 -1.338 -5.008 369 2HB GLU 58 1HB GLU 58 1.695 -2.077 -4.751 370 1HG GLU 58 2HG GLU 58 0.802 -4.164 -5.747 371 2HG GLU 58 1HG GLU 58 -0.708 -3.315 -6.099 372 H TRP 59 H TRP 59 -0.800 -1.062 -2.025 373 HA TRP 59 HA TRP 59 -3.515 -1.095 -3.059 374 1HB TRP 59 2HB TRP 59 -3.830 -2.911 -1.546 375 2HB TRP 59 1HB TRP 59 -2.827 -2.157 -0.300 376 HD1 TRP 59 HD TRP 59 -3.925 -0.405 1.261 377 HE1 TRP 59 1HE TRP 59 -6.356 0.321 1.679 378 HE3 TRP 59 3HE TRP 59 -6.178 -2.559 -2.789 379 HZ2 TRP 59 2HZ TRP 59 -8.943 0.003 0.438 380 HZ3 TRP 59 3HZ TRP 59 -8.614 -2.333 -3.129 381 HH2 TRP 59 HH TRP 59 -9.995 -1.058 -1.543 382 HA PRO 60 HA PRO 60 -2.762 3.106 -1.805 383 1HB PRO 60 2HB PRO 60 -5.339 4.044 -2.003 384 2HB PRO 60 1HB PRO 60 -4.267 3.766 -3.373 385 1HG PRO 60 2HG PRO 60 -6.504 2.056 -2.381 386 2HG PRO 60 1HG PRO 60 -6.001 2.329 -4.041 387 1HD PRO 60 2HD PRO 60 -5.410 0.085 -2.575 388 2HD PRO 60 1HD PRO 60 -4.451 0.618 -3.897 389 H ILE 61 H ILE 61 -2.785 4.267 0.068 390 HA ILE 61 HA ILE 61 -4.376 3.134 2.334 391 HB ILE 61 HB ILE 61 -2.085 2.935 2.882 392 1HG1 ILE 61 2HG1 ILE 61 -1.756 4.481 4.726 393 2HG1 ILE 61 1HG1 ILE 61 -2.864 5.651 4.006 394 1HG2 ILE 61 1HG2 ILE 61 -1.794 5.659 1.590 395 2HG2 ILE 61 2HG2 ILE 61 -1.025 4.137 1.145 396 3HG2 ILE 61 3HG2 ILE 61 -0.537 4.963 2.611 397 1HD1 ILE 61 1HD1 ILE 61 -4.357 3.317 4.160 398 2HD1 ILE 61 2HD1 ILE 61 -4.460 4.674 5.236 399 3HD1 ILE 61 3HD1 ILE 61 -3.426 3.334 5.620 400 H LEU 62 H LEU 62 -5.730 4.562 3.492 401 HA LEU 62 HA LEU 62 -5.702 7.426 2.622 402 1HB LEU 62 2HB LEU 62 -8.254 6.128 3.518 403 2HB LEU 62 1HB LEU 62 -7.981 7.415 2.332 404 HG LEU 62 HG LEU 62 -7.439 4.449 1.938 405 1HD1 LEU 62 1HD1 LEU 62 -9.116 4.685 0.163 406 2HD1 LEU 62 2HD1 LEU 62 -9.340 6.384 0.585 407 3HD1 LEU 62 3HD1 LEU 62 -9.791 5.121 1.730 408 1HD2 LEU 62 1HD2 LEU 62 -5.968 5.019 0.333 409 2HD2 LEU 62 2HD2 LEU 62 -6.154 6.738 0.705 410 3HD2 LEU 62 3HD2 LEU 62 -7.192 5.979 -0.443 411 H SER 63 H SER 63 -6.684 8.898 4.242 412 HA SER 63 HA SER 63 -6.471 7.845 7.045 413 1HB SER 63 2HB SER 63 -4.396 8.981 6.770 414 2HB SER 63 1HB SER 63 -5.161 10.295 5.858 415 HG SER 63 HG SER 63 -5.250 9.754 8.612 416 H SER 64 H SER 64 -8.743 8.561 5.184 417 HA SER 64 HA SER 64 -10.192 10.242 7.139 418 1HB SER 64 2HB SER 64 -9.362 11.156 4.430 419 2HB SER 64 1HB SER 64 -11.059 11.442 4.829 420 HG SER 64 HG SER 64 -8.751 12.414 6.116 421 H GLY 65 H GLY 65 -10.362 8.570 3.970 422 1HA GLY 65 2HA GLY 65 -13.222 8.055 4.274 423 2HA GLY 65 1HA GLY 65 -12.167 7.413 3.013 424 H ASP 66 H ASP 66 -11.354 5.345 3.247 425 HA ASP 66 HA ASP 66 -10.896 3.987 5.669 426 1HB ASP 66 2HB ASP 66 -13.633 4.315 5.439 427 2HB ASP 66 1HB ASP 66 -13.426 2.786 4.623 428 H VAL 67 H VAL 67 -12.622 3.089 2.631 429 HA VAL 67 HA VAL 67 -10.289 1.302 2.015 430 HB VAL 67 HB VAL 67 -13.186 0.663 1.360 431 1HG1 VAL 67 1HG1 VAL 67 -11.596 -0.465 -0.056 432 2HG1 VAL 67 2HG1 VAL 67 -12.165 -1.638 1.124 433 3HG1 VAL 67 3HG1 VAL 67 -10.590 -0.896 1.307 434 1HG2 VAL 67 1HG2 VAL 67 -11.504 -0.102 3.762 435 2HG2 VAL 67 2HG2 VAL 67 -12.917 -1.023 3.251 436 3HG2 VAL 67 3HG2 VAL 67 -13.091 0.656 3.740 437 H TYR 68 H TYR 68 -9.411 1.799 0.065 438 HA TYR 68 HA TYR 68 -10.458 3.836 -1.616 439 1HB TYR 68 2HB TYR 68 -8.037 2.818 -1.437 440 2HB TYR 68 1HB TYR 68 -8.589 1.698 -2.694 441 HD1 TYR 68 1HD TYR 68 -9.612 2.683 -4.819 442 HD2 TYR 68 2HD TYR 68 -7.379 5.001 -1.998 443 HE1 TYR 68 1HE TYR 68 -9.230 4.416 -6.548 444 HE2 TYR 68 2HE TYR 68 -7.005 6.754 -3.707 445 HH TYR 68 HH TYR 68 -8.670 7.221 -6.273 446 H SER 69 H SER 69 -11.823 3.721 -3.397 447 HA SER 69 HA SER 69 -12.366 1.175 -4.736 448 1HB SER 69 2HB SER 69 -14.953 1.547 -4.158 449 2HB SER 69 1HB SER 69 -13.895 0.666 -3.058 450 HG SER 69 HG SER 69 -15.148 2.345 -2.037 451 H GLY 70 H GLY 70 -11.363 3.371 -5.919 452 1HA GLY 70 2HA GLY 70 -12.316 4.068 -8.165 453 2HA GLY 70 1HA GLY 70 -13.703 4.691 -7.277 454 H GLY 71 H GLY 71 -13.040 6.756 -8.372 455 1HA GLY 71 2HA GLY 71 -12.279 8.947 -7.954 456 2HA GLY 71 1HA GLY 71 -11.427 8.365 -6.522 457 H SER 72 H SER 72 -9.558 9.643 -7.233 458 HA SER 72 HA SER 72 -8.110 8.374 -9.522 459 1HB SER 72 2HB SER 72 -8.825 10.806 -9.760 460 2HB SER 72 1HB SER 72 -7.606 11.180 -8.535 461 HG SER 72 HG SER 72 -6.026 10.492 -9.891 462 HA PRO 73 HA PRO 73 -5.333 7.357 -6.099 463 1HB PRO 73 2HB PRO 73 -3.727 5.726 -7.589 464 2HB PRO 73 1HB PRO 73 -5.268 5.236 -6.902 465 1HG PRO 73 2HG PRO 73 -4.588 5.866 -9.747 466 2HG PRO 73 1HG PRO 73 -5.845 4.785 -9.122 467 1HD PRO 73 2HD PRO 73 -6.245 7.416 -10.096 468 2HD PRO 73 1HD PRO 73 -7.413 6.447 -9.175 469 H GLY 74 H GLY 74 -2.858 7.403 -5.900 470 1HA GLY 74 2HA GLY 74 -0.957 8.438 -7.520 471 2HA GLY 74 1HA GLY 74 -1.884 9.901 -7.176 472 H ALA 75 H ALA 75 0.880 8.727 -6.273 473 HA ALA 75 HA ALA 75 2.182 8.858 -4.347 474 1HB ALA 75 1HB ALA 75 0.098 10.629 -3.122 475 2HB ALA 75 2HB ALA 75 1.029 11.176 -4.511 476 3HB ALA 75 3HB ALA 75 1.849 10.745 -3.029 477 H ASP 76 H ASP 76 1.183 9.270 -1.629 478 HA ASP 76 HA ASP 76 0.903 7.641 0.070 479 1HB ASP 76 2HB ASP 76 -1.887 8.133 -1.029 480 2HB ASP 76 1HB ASP 76 -1.471 7.699 0.637 481 H ARG 77 H ARG 77 1.530 5.524 -0.118 482 HA ARG 77 HA ARG 77 -0.481 3.574 -0.943 483 1HB ARG 77 2HB ARG 77 1.937 4.172 -2.646 484 2HB ARG 77 1HB ARG 77 1.390 2.520 -2.516 485 1HG ARG 77 2HG ARG 77 -0.992 3.593 -3.041 486 2HG ARG 77 1HG ARG 77 0.018 4.873 -3.709 487 1HD ARG 77 2HD ARG 77 -0.462 3.388 -5.491 488 2HD ARG 77 1HD ARG 77 1.231 3.117 -5.053 489 HE ARG 77 HE ARG 77 -1.029 1.467 -4.102 490 1HH1 ARG 77 1HH1 ARG 77 1.656 0.699 -5.919 491 2HH1 ARG 77 2HH1 ARG 77 2.486 -0.204 -4.701 492 1HH2 ARG 77 1HH2 ARG 77 0.229 0.640 -2.191 493 2HH2 ARG 77 2HH2 ARG 77 1.621 -0.307 -2.595 494 H VAL 78 H VAL 78 -0.163 1.690 0.247 495 HA VAL 78 HA VAL 78 2.501 1.456 1.599 496 HB VAL 78 HB VAL 78 0.494 2.206 3.053 497 1HG1 VAL 78 1HG1 VAL 78 -1.068 0.567 3.727 498 2HG1 VAL 78 2HG1 VAL 78 -0.152 -0.747 3.002 499 3HG1 VAL 78 3HG1 VAL 78 -1.014 0.405 1.975 500 1HG2 VAL 78 1HG2 VAL 78 1.226 0.323 4.793 501 2HG2 VAL 78 2HG2 VAL 78 2.339 1.576 4.292 502 3HG2 VAL 78 3HG2 VAL 78 2.435 -0.018 3.578 503 H VAL 79 H VAL 79 3.453 -0.531 1.493 504 HA VAL 79 HA VAL 79 2.041 -2.596 -0.106 505 HB VAL 79 HB VAL 79 4.918 -2.200 0.729 506 1HG1 VAL 79 1HG1 VAL 79 4.366 -4.648 0.902 507 2HG1 VAL 79 2HG1 VAL 79 5.446 -4.303 -0.404 508 3HG1 VAL 79 3HG1 VAL 79 3.747 -4.578 -0.720 509 1HG2 VAL 79 1HG2 VAL 79 4.011 -2.741 -2.056 510 2HG2 VAL 79 2HG2 VAL 79 5.304 -1.705 -1.460 511 3HG2 VAL 79 3HG2 VAL 79 3.624 -1.173 -1.360 512 H PHE 80 H PHE 80 2.291 -4.866 0.582 513 HA PHE 80 HA PHE 80 2.653 -5.365 3.431 514 1HB PHE 80 2HB PHE 80 0.265 -6.162 3.669 515 2HB PHE 80 1HB PHE 80 0.462 -4.426 3.435 516 HD1 PHE 80 1HD PHE 80 0.327 -3.536 0.954 517 HD2 PHE 80 2HD PHE 80 -1.216 -7.316 2.276 518 HE1 PHE 80 1HE PHE 80 -1.110 -3.628 -1.018 519 HE2 PHE 80 2HE PHE 80 -2.693 -7.392 0.285 520 HZ PHE 80 HZ PHE 80 -2.642 -5.543 -1.369 521 H ASN 81 H ASN 81 1.706 -7.791 3.764 522 HA ASN 81 HA ASN 81 2.742 -9.336 1.402 523 1HB ASN 81 2HB ASN 81 4.181 -9.705 3.268 524 2HB ASN 81 1HB ASN 81 2.825 -9.910 4.378 525 1HD2 ASN 81 1HD2 ASN 81 3.337 -12.085 4.967 526 2HD2 ASN 81 2HD2 ASN 81 3.283 -13.380 3.827 527 H GLU 82 H GLU 82 0.926 -10.474 4.201 528 HA GLU 82 HA GLU 82 -1.556 -10.773 2.716 529 1HB GLU 82 2HB GLU 82 -1.575 -13.255 2.788 530 2HB GLU 82 1HB GLU 82 -0.254 -12.652 1.778 531 1HG GLU 82 2HG GLU 82 1.337 -13.366 3.156 532 2HG GLU 82 1HG GLU 82 0.466 -13.051 4.652 533 H ASN 83 H ASN 83 -0.324 -9.835 5.367 534 HA ASN 83 HA ASN 83 -2.421 -11.036 7.079 535 1HB ASN 83 2HB ASN 83 0.509 -11.353 7.396 536 2HB ASN 83 1HB ASN 83 -0.254 -10.678 8.835 537 1HD2 ASN 83 1HD2 ASN 83 0.777 -13.148 9.158 538 2HD2 ASN 83 2HD2 ASN 83 -0.492 -14.319 9.202 539 H ASN 84 H ASN 84 -2.067 -8.505 5.627 540 HA ASN 84 HA ASN 84 -2.146 -6.229 5.983 541 1HB ASN 84 2HB ASN 84 -3.720 -5.544 7.667 542 2HB ASN 84 1HB ASN 84 -4.269 -7.120 7.087 543 1HD2 ASN 84 1HD2 ASN 84 -4.225 -8.885 8.549 544 2HD2 ASN 84 2HD2 ASN 84 -3.786 -8.689 10.208 545 H GLN 85 H GLN 85 0.228 -7.729 7.061 546 HA GLN 85 HA GLN 85 1.018 -6.561 9.560 547 1HB GLN 85 2HB GLN 85 2.734 -7.557 7.245 548 2HB GLN 85 1HB GLN 85 3.312 -7.262 8.896 549 1HG GLN 85 2HG GLN 85 1.002 -9.112 8.383 550 2HG GLN 85 1HG GLN 85 2.652 -9.657 8.130 551 1HE2 GLN 85 1HE2 GLN 85 0.286 -8.856 10.550 552 2HE2 GLN 85 2HE2 GLN 85 1.300 -9.222 11.901 553 H LEU 86 H LEU 86 3.352 -5.828 7.120 554 HA LEU 86 HA LEU 86 2.483 -3.385 6.195 555 1HB LEU 86 2HB LEU 86 2.765 -3.118 8.948 556 2HB LEU 86 1HB LEU 86 4.349 -2.642 8.402 557 HG LEU 86 HG LEU 86 3.088 -0.638 8.436 558 1HD1 LEU 86 1HD1 LEU 86 3.213 0.079 6.187 559 2HD1 LEU 86 2HD1 LEU 86 2.950 -1.527 5.533 560 3HD1 LEU 86 3HD1 LEU 86 4.467 -1.132 6.350 561 1HD2 LEU 86 1HD2 LEU 86 0.857 -1.789 8.511 562 2HD2 LEU 86 2HD2 LEU 86 0.966 -2.025 6.765 563 3HD2 LEU 86 3HD2 LEU 86 0.930 -0.412 7.444 564 H ALA 87 H ALA 87 3.806 -3.254 4.465 565 HA ALA 87 HA ALA 87 6.607 -4.225 4.642 566 1HB ALA 87 1HB ALA 87 6.628 -3.955 2.220 567 2HB ALA 87 2HB ALA 87 5.099 -3.110 2.316 568 3HB ALA 87 3HB ALA 87 5.160 -4.813 2.701 569 H GLY 88 H GLY 88 4.775 -1.244 3.955 570 1HA GLY 88 2HA GLY 88 6.398 0.567 5.229 571 2HA GLY 88 1HA GLY 88 7.223 0.355 3.686 572 H VAL 89 H VAL 89 5.963 2.797 4.615 573 HA VAL 89 HA VAL 89 3.489 3.015 2.970 574 HB VAL 89 HB VAL 89 4.914 4.879 4.872 575 1HG1 VAL 89 1HG1 VAL 89 2.759 5.454 2.848 576 2HG1 VAL 89 2HG1 VAL 89 4.160 6.426 3.281 577 3HG1 VAL 89 3HG1 VAL 89 2.802 6.334 4.372 578 1HG2 VAL 89 1HG2 VAL 89 3.491 3.176 5.887 579 2HG2 VAL 89 2HG2 VAL 89 2.198 3.565 4.791 580 3HG2 VAL 89 3HG2 VAL 89 2.639 4.712 5.998 581 H ILE 90 H ILE 90 4.426 2.772 0.890 582 HA ILE 90 HA ILE 90 6.496 4.698 0.025 583 HB ILE 90 HB ILE 90 6.502 3.446 -2.020 584 1HG1 ILE 90 2HG1 ILE 90 3.903 2.375 -0.949 585 2HG1 ILE 90 1HG1 ILE 90 4.273 2.923 -2.571 586 1HG2 ILE 90 1HG2 ILE 90 6.200 1.462 0.225 587 2HG2 ILE 90 2HG2 ILE 90 7.584 2.542 0.082 588 3HG2 ILE 90 3HG2 ILE 90 7.274 1.360 -1.175 589 1HD1 ILE 90 1HD1 ILE 90 5.806 0.845 -2.707 590 2HD1 ILE 90 2HD1 ILE 90 4.070 0.577 -2.699 591 3HD1 ILE 90 3HD1 ILE 90 5.001 0.358 -1.231 592 H THR 91 H THR 91 6.088 6.171 -1.811 593 HA THR 91 HA THR 91 3.173 6.791 -2.139 594 HB THR 91 HB THR 91 4.520 8.458 -0.767 595 HG1 THR 91 1HG THR 91 3.412 10.092 -1.699 596 1HG2 THR 91 1HG2 THR 91 5.704 9.382 -3.355 597 2HG2 THR 91 2HG2 THR 91 6.506 8.122 -2.449 598 3HG2 THR 91 3HG2 THR 91 6.243 9.680 -1.706 599 H HIS 92 H HIS 92 2.470 7.000 -4.213 600 HA HIS 92 HA HIS 92 4.274 6.354 -6.396 601 1HB HIS 92 2HB HIS 92 1.473 6.127 -5.908 602 2HB HIS 92 1HB HIS 92 1.607 7.252 -7.250 603 HD1 HIS 92 1HD HIS 92 4.148 4.509 -6.866 604 HD2 HIS 92 2HD HIS 92 0.714 5.335 -9.088 605 HE1 HIS 92 1HE HIS 92 4.123 2.885 -8.794 606 HE2 HIS 92 2HE HIS 92 1.847 3.123 -9.865 607 H THR 93 H THR 93 5.543 8.443 -5.793 608 HA THR 93 HA THR 93 5.237 10.356 -7.846 609 HB THR 93 HB THR 93 4.598 12.178 -5.789 610 HG1 THR 93 1HG THR 93 3.781 10.673 -4.416 611 1HG2 THR 93 1HG2 THR 93 3.304 11.096 -8.238 612 2HG2 THR 93 2HG2 THR 93 3.595 12.751 -7.719 613 3HG2 THR 93 3HG2 THR 93 2.235 11.855 -7.059 614 H GLY 94 H GLY 94 6.702 12.268 -7.520 615 1HA GLY 94 2HA GLY 94 8.678 13.232 -6.691 616 2HA GLY 94 1HA GLY 94 8.529 12.234 -5.243 617 H ALA 95 H ALA 95 8.392 10.666 -8.358 618 HA ALA 95 HA ALA 95 11.275 10.055 -8.400 619 1HB ALA 95 1HB ALA 95 9.182 8.051 -7.619 620 2HB ALA 95 2HB ALA 95 10.685 8.419 -6.807 621 3HB ALA 95 3HB ALA 95 10.714 7.545 -8.326 622 H SER 96 H SER 96 9.913 11.379 -10.331 623 HA SER 96 HA SER 96 9.576 11.319 -12.633 624 1HB SER 96 2HB SER 96 10.263 8.359 -12.661 625 2HB SER 96 1HB SER 96 10.562 9.593 -13.883 626 HG SER 96 HG SER 96 12.410 8.930 -12.540 627 H GLY 97 H GLY 97 7.304 11.592 -12.475 628 1HA GLY 97 2HA GLY 97 5.109 10.919 -13.006 629 2HA GLY 97 1HA GLY 97 5.692 9.274 -13.269 630 H ASN 98 H ASN 98 6.045 7.919 -11.351 631 HA ASN 98 HA ASN 98 4.792 8.933 -8.875 632 1HB ASN 98 2HB ASN 98 3.934 6.302 -9.002 633 2HB ASN 98 1HB ASN 98 2.935 7.708 -9.235 634 1HD2 ASN 98 1HD2 ASN 98 4.275 4.949 -10.789 635 2HD2 ASN 98 2HD2 ASN 98 3.750 5.359 -12.376 636 H ASN 99 H ASN 99 5.702 5.611 -9.708 637 HA ASN 99 HA ASN 99 7.258 4.215 -8.811 638 1HB ASN 99 2HB ASN 99 8.620 6.724 -9.323 639 2HB ASN 99 1HB ASN 99 9.242 6.024 -7.826 640 1HD2 ASN 99 1HD2 ASN 99 11.200 5.899 -9.431 641 2HD2 ASN 99 2HD2 ASN 99 11.316 4.402 -10.274 642 H PHE 100 H PHE 100 7.578 3.276 -6.807 643 HA PHE 100 HA PHE 100 6.299 4.664 -4.531 644 1HB PHE 100 2HB PHE 100 7.552 1.994 -4.052 645 2HB PHE 100 1HB PHE 100 5.985 2.637 -3.669 646 HD1 PHE 100 1HD PHE 100 7.880 0.825 -6.144 647 HD2 PHE 100 2HD PHE 100 4.117 2.689 -5.245 648 HE1 PHE 100 1HE PHE 100 6.829 -0.377 -8.046 649 HE2 PHE 100 2HE PHE 100 3.069 1.479 -7.140 650 HZ PHE 100 HZ PHE 100 4.423 -0.043 -8.546 651 H VAL 101 H VAL 101 7.402 5.057 -2.532 652 HA VAL 101 HA VAL 101 10.269 4.556 -2.290 653 HB VAL 101 HB VAL 101 10.694 7.109 -1.986 654 1HG1 VAL 101 1HG1 VAL 101 10.068 6.383 -4.845 655 2HG1 VAL 101 2HG1 VAL 101 11.348 5.529 -3.972 656 3HG1 VAL 101 3HG1 VAL 101 11.429 7.270 -4.178 657 1HG2 VAL 101 1HG2 VAL 101 8.152 7.190 -3.663 658 2HG2 VAL 101 2HG2 VAL 101 9.202 8.553 -3.291 659 3HG2 VAL 101 3HG2 VAL 101 8.320 7.757 -1.999 660 H GLU 102 H GLU 102 10.825 4.521 -0.128 661 HA GLU 102 HA GLU 102 8.839 4.441 1.860 662 1HB GLU 102 2HB GLU 102 11.799 5.081 2.108 663 2HB GLU 102 1HB GLU 102 10.757 4.732 3.497 664 1HG GLU 102 2HG GLU 102 10.326 2.521 2.779 665 2HG GLU 102 1HG GLU 102 10.999 2.813 1.168 666 H CYS 103 H CYS 103 7.643 6.030 2.780 667 HA CYS 103 HA CYS 103 8.205 8.828 2.169 668 1HB CYS 103 2HB CYS 103 5.996 7.271 3.338 669 2HB CYS 103 1HB CYS 103 6.226 8.799 4.171 670 H THR 104 H THR 104 10.318 9.048 3.180 671 HA THR 104 HA THR 104 10.122 9.342 6.168 672 HB THR 104 HB THR 104 11.600 7.497 5.840 673 HG1 THR 104 1HG THR 104 12.633 8.860 7.214 674 1HG2 THR 104 1HG2 THR 104 13.525 7.712 4.211 675 2HG2 THR 104 2HG2 THR 104 12.717 9.120 3.536 676 3HG2 THR 104 3HG2 THR 104 11.936 7.540 3.483 Start of MODEL 14 1 1H ALA 1 1HT ALA 1 1.829 10.151 18.765 2 2H ALA 1 2HT ALA 1 1.912 11.333 17.518 3 3H ALA 1 3HT ALA 1 3.196 10.210 17.736 4 HA ALA 1 HA ALA 1 1.752 8.392 17.156 5 1HB ALA 1 1HB ALA 1 -0.277 10.581 16.612 6 2HB ALA 1 2HB ALA 1 -0.333 9.455 17.967 7 3HB ALA 1 3HB ALA 1 -0.501 8.854 16.320 8 H CYS 2 H CYS 2 0.753 8.293 14.673 9 HA CYS 2 HA CYS 2 1.281 8.543 12.444 10 1HB CYS 2 2HB CYS 2 0.562 10.794 12.504 11 2HB CYS 2 1HB CYS 2 1.961 11.317 13.433 12 H ASP 3 H ASP 3 2.921 6.955 12.403 13 HA ASP 3 HA ASP 3 5.712 7.970 12.784 14 1HB ASP 3 2HB ASP 3 4.786 5.852 14.009 15 2HB ASP 3 1HB ASP 3 4.962 5.051 12.444 16 H TYR 4 H TYR 4 3.494 7.668 10.363 17 HA TYR 4 HA TYR 4 5.614 6.970 8.364 18 1HB TYR 4 2HB TYR 4 2.659 6.306 8.485 19 2HB TYR 4 1HB TYR 4 3.494 6.383 6.926 20 HD1 TYR 4 1HD TYR 4 5.784 5.119 6.776 21 HD2 TYR 4 2HD TYR 4 2.710 4.281 9.651 22 HE1 TYR 4 1HE TYR 4 6.721 2.847 7.112 23 HE2 TYR 4 2HE TYR 4 3.641 2.006 9.990 24 HH TYR 4 HH TYR 4 5.273 0.384 8.222 25 H THR 5 H THR 5 5.963 9.395 8.780 26 HA THR 5 HA THR 5 3.965 11.180 7.581 27 HB THR 5 HB THR 5 5.442 12.952 8.154 28 HG1 THR 5 1HG THR 5 7.523 10.980 8.275 29 1HG2 THR 5 1HG2 THR 5 6.542 11.469 10.327 30 2HG2 THR 5 2HG2 THR 5 4.929 10.866 10.036 31 3HG2 THR 5 3HG2 THR 5 5.184 12.573 10.328 32 H CYS 6 H CYS 6 3.797 11.550 5.420 33 HA CYS 6 HA CYS 6 6.155 10.816 3.698 34 1HB CYS 6 2HB CYS 6 3.189 10.875 3.048 35 2HB CYS 6 1HB CYS 6 4.485 10.455 1.912 36 H GLY 7 H GLY 7 5.209 13.401 5.086 37 1HA GLY 7 2HA GLY 7 6.296 15.421 3.907 38 2HA GLY 7 1HA GLY 7 5.062 15.167 2.672 39 H SER 8 H SER 8 2.874 15.665 3.170 40 HA SER 8 HA SER 8 2.495 17.150 5.756 41 1HB SER 8 2HB SER 8 0.982 17.723 3.194 42 2HB SER 8 1HB SER 8 1.160 18.741 4.632 43 HG SER 8 HG SER 8 3.026 18.197 2.593 44 H ASN 9 H ASN 9 1.987 14.263 5.092 45 HA ASN 9 HA ASN 9 -0.982 14.261 5.423 46 1HB ASN 9 2HB ASN 9 0.957 12.412 4.063 47 2HB ASN 9 1HB ASN 9 -0.437 11.682 4.852 48 1HD2 ASN 9 1HD2 ASN 9 -2.440 13.587 4.381 49 2HD2 ASN 9 2HD2 ASN 9 -2.661 13.714 2.681 50 H CYS 10 H CYS 10 2.069 12.999 6.719 51 HA CYS 10 HA CYS 10 2.459 11.821 8.641 52 1HB CYS 10 2HB CYS 10 1.746 14.327 9.199 53 2HB CYS 10 1HB CYS 10 0.381 13.547 10.002 54 H TYR 11 H TYR 11 1.391 9.837 7.874 55 HA TYR 11 HA TYR 11 -1.419 9.422 8.686 56 1HB TYR 11 2HB TYR 11 0.560 8.036 6.952 57 2HB TYR 11 1HB TYR 11 -0.520 6.951 7.835 58 HD1 TYR 11 1HD TYR 11 -2.899 6.923 7.445 59 HD2 TYR 11 2HD TYR 11 -0.347 9.681 5.372 60 HE1 TYR 11 1HE TYR 11 -4.690 7.408 5.859 61 HE2 TYR 11 2HE TYR 11 -2.188 10.202 3.791 62 HH TYR 11 HH TYR 11 -5.054 9.942 4.123 63 H SER 12 H SER 12 -2.097 7.903 10.223 64 HA SER 12 HA SER 12 -0.256 7.547 12.465 65 1HB SER 12 2HB SER 12 -3.143 7.404 12.028 66 2HB SER 12 1HB SER 12 -2.561 6.092 13.047 67 HG SER 12 HG SER 12 -2.381 8.855 13.480 68 H SER 13 H SER 13 0.963 5.757 12.846 69 HA SER 13 HA SER 13 1.170 3.632 10.981 70 1HB SER 13 2HB SER 13 2.395 2.421 12.804 71 2HB SER 13 1HB SER 13 2.937 4.092 12.618 72 HG SER 13 HG SER 13 2.499 3.456 14.828 73 H SER 14 H SER 14 -1.182 4.214 13.459 74 HA SER 14 HA SER 14 -2.043 1.390 13.524 75 1HB SER 14 2HB SER 14 -2.028 3.270 15.470 76 2HB SER 14 1HB SER 14 -3.665 3.521 14.855 77 HG SER 14 HG SER 14 -4.175 1.448 15.356 78 H ASP 15 H ASP 15 -2.992 4.483 12.121 79 HA ASP 15 HA ASP 15 -5.626 3.596 11.319 80 1HB ASP 15 2HB ASP 15 -5.073 6.004 11.545 81 2HB ASP 15 1HB ASP 15 -3.907 5.864 10.223 82 H VAL 16 H VAL 16 -2.384 3.508 9.997 83 HA VAL 16 HA VAL 16 -3.046 2.895 7.304 84 HB VAL 16 HB VAL 16 -0.662 1.722 8.766 85 1HG1 VAL 16 1HG1 VAL 16 -1.121 2.724 5.937 86 2HG1 VAL 16 2HG1 VAL 16 -0.989 1.038 6.427 87 3HG1 VAL 16 3HG1 VAL 16 0.409 2.103 6.556 88 1HG2 VAL 16 1HG2 VAL 16 -0.167 3.813 9.377 89 2HG2 VAL 16 2HG2 VAL 16 -1.366 4.566 8.333 90 3HG2 VAL 16 3HG2 VAL 16 0.208 4.109 7.699 91 H SER 17 H SER 17 -2.933 0.925 10.226 92 HA SER 17 HA SER 17 -2.982 -1.645 9.024 93 1HB SER 17 2HB SER 17 -2.621 -1.329 11.433 94 2HB SER 17 1HB SER 17 -4.267 -0.713 11.618 95 HG SER 17 HG SER 17 -3.402 -3.335 11.039 96 H THR 18 H THR 18 -5.708 0.489 9.983 97 HA THR 18 HA THR 18 -7.768 -1.312 9.180 98 HB THR 18 HB THR 18 -8.827 1.221 8.640 99 HG1 THR 18 1HG THR 18 -7.797 2.658 9.926 100 1HG2 THR 18 1HG2 THR 18 -9.687 1.114 10.922 101 2HG2 THR 18 2HG2 THR 18 -8.492 -0.113 11.338 102 3HG2 THR 18 3HG2 THR 18 -9.757 -0.475 10.159 103 H ALA 19 H ALA 19 -5.993 1.175 7.365 104 HA ALA 19 HA ALA 19 -7.447 0.623 4.889 105 1HB ALA 19 1HB ALA 19 -6.214 2.349 3.990 106 2HB ALA 19 2HB ALA 19 -4.774 1.927 4.912 107 3HB ALA 19 3HB ALA 19 -6.107 2.779 5.699 108 H GLN 20 H GLN 20 -4.915 -0.912 6.595 109 HA GLN 20 HA GLN 20 -3.640 -1.977 4.233 110 1HB GLN 20 2HB GLN 20 -2.737 -1.570 6.814 111 2HB GLN 20 1HB GLN 20 -3.059 -3.287 6.829 112 1HG GLN 20 2HG GLN 20 -1.141 -1.761 5.139 113 2HG GLN 20 1HG GLN 20 -0.856 -3.185 6.104 114 1HE2 GLN 20 1HE2 GLN 20 -2.027 -2.082 2.994 115 2HE2 GLN 20 2HE2 GLN 20 -2.261 -3.633 2.339 116 H ALA 21 H ALA 21 -6.113 -2.870 6.511 117 HA ALA 21 HA ALA 21 -6.115 -5.701 5.722 118 1HB ALA 21 1HB ALA 21 -6.759 -5.045 7.997 119 2HB ALA 21 2HB ALA 21 -8.099 -5.840 7.174 120 3HB ALA 21 3HB ALA 21 -8.091 -4.083 7.358 121 H ALA 22 H ALA 22 -7.287 -2.776 4.419 122 HA ALA 22 HA ALA 22 -9.735 -3.834 3.245 123 1HB ALA 22 1HB ALA 22 -8.121 -1.346 2.596 124 2HB ALA 22 2HB ALA 22 -9.471 -1.438 3.726 125 3HB ALA 22 3HB ALA 22 -9.746 -1.700 2.005 126 H GLY 23 H GLY 23 -6.445 -3.040 2.035 127 1HA GLY 23 2HA GLY 23 -6.993 -4.102 -0.630 128 2HA GLY 23 1HA GLY 23 -5.421 -3.674 0.022 129 H TYR 24 H TYR 24 -6.146 -5.472 2.424 130 HA TYR 24 HA TYR 24 -4.928 -7.865 1.243 131 1HB TYR 24 2HB TYR 24 -4.013 -7.170 3.386 132 2HB TYR 24 1HB TYR 24 -5.625 -7.029 4.066 133 HD1 TYR 24 1HD TYR 24 -4.255 -9.771 1.928 134 HD2 TYR 24 2HD TYR 24 -5.630 -8.581 5.822 135 HE1 TYR 24 1HE TYR 24 -4.169 -12.122 2.669 136 HE2 TYR 24 2HE TYR 24 -5.544 -10.944 6.569 137 HH TYR 24 HH TYR 24 -5.624 -13.443 4.845 138 H GLN 25 H GLN 25 -7.714 -7.373 3.439 139 HA GLN 25 HA GLN 25 -8.872 -9.882 3.146 140 1HB GLN 25 2HB GLN 25 -9.765 -7.266 4.004 141 2HB GLN 25 1HB GLN 25 -11.046 -8.013 3.067 142 1HG GLN 25 2HG GLN 25 -11.204 -9.860 4.483 143 2HG GLN 25 1HG GLN 25 -9.619 -9.567 5.220 144 1HE2 GLN 25 1HE2 GLN 25 -12.200 -7.142 4.651 145 2HE2 GLN 25 2HE2 GLN 25 -12.390 -6.794 6.325 146 H LEU 26 H LEU 26 -9.746 -7.039 1.143 147 HA LEU 26 HA LEU 26 -11.381 -8.391 -0.673 148 1HB LEU 26 2HB LEU 26 -10.083 -5.825 -0.535 149 2HB LEU 26 1HB LEU 26 -9.775 -6.456 -2.143 150 HG LEU 26 HG LEU 26 -11.860 -5.166 -2.124 151 1HD1 LEU 26 1HD1 LEU 26 -13.292 -6.833 -3.115 152 2HD1 LEU 26 2HD1 LEU 26 -12.438 -8.140 -2.324 153 3HD1 LEU 26 3HD1 LEU 26 -11.635 -7.195 -3.572 154 1HD2 LEU 26 1HD2 LEU 26 -13.712 -5.746 -0.748 155 2HD2 LEU 26 2HD2 LEU 26 -12.327 -5.644 0.331 156 3HD2 LEU 26 3HD2 LEU 26 -12.945 -7.219 -0.167 157 H HIS 27 H HIS 27 -7.858 -7.944 -0.872 158 HA HIS 27 HA HIS 27 -7.408 -9.176 -3.344 159 1HB HIS 27 2HB HIS 27 -5.568 -8.136 -2.175 160 2HB HIS 27 1HB HIS 27 -5.716 -9.256 -0.829 161 HD1 HIS 27 1HD HIS 27 -5.922 -10.401 -4.407 162 HD2 HIS 27 2HD HIS 27 -3.210 -10.470 -1.235 163 HE1 HIS 27 1HE HIS 27 -4.074 -11.975 -5.085 164 HE2 HIS 27 2HE HIS 27 -2.680 -12.292 -3.009 165 H GLU 28 H GLU 28 -7.098 -10.869 -0.190 166 HA GLU 28 HA GLU 28 -7.084 -13.449 -1.490 167 1HB GLU 28 2HB GLU 28 -6.063 -12.878 0.799 168 2HB GLU 28 1HB GLU 28 -7.707 -12.911 1.442 169 1HG GLU 28 2HG GLU 28 -6.715 -15.076 1.790 170 2HG GLU 28 1HG GLU 28 -7.953 -15.260 0.556 171 H ASP 29 H ASP 29 -9.593 -11.296 -0.871 172 HA ASP 29 HA ASP 29 -11.623 -13.255 -0.233 173 1HB ASP 29 2HB ASP 29 -11.774 -10.812 0.375 174 2HB ASP 29 1HB ASP 29 -12.015 -10.439 -1.332 175 H GLY 30 H GLY 30 -9.992 -12.284 -3.098 176 1HA GLY 30 2HA GLY 30 -10.238 -13.102 -5.265 177 2HA GLY 30 1HA GLY 30 -11.597 -14.085 -4.717 178 H GLU 31 H GLU 31 -12.202 -10.980 -3.653 179 HA GLU 31 HA GLU 31 -14.049 -10.523 -5.910 180 1HB GLU 31 2HB GLU 31 -14.553 -10.426 -3.289 181 2HB GLU 31 1HB GLU 31 -14.003 -8.794 -3.448 182 1HG GLU 31 2HG GLU 31 -16.291 -8.618 -3.837 183 2HG GLU 31 1HG GLU 31 -15.630 -8.648 -5.477 184 H THR 32 H THR 32 -14.072 -7.564 -5.112 185 HA THR 32 HA THR 32 -11.449 -6.589 -5.758 186 HB THR 32 HB THR 32 -13.303 -5.664 -7.879 187 HG1 THR 32 1HG THR 32 -12.439 -8.334 -8.214 188 1HG2 THR 32 1HG2 THR 32 -11.406 -5.356 -8.853 189 2HG2 THR 32 2HG2 THR 32 -10.937 -7.047 -8.783 190 3HG2 THR 32 3HG2 THR 32 -10.516 -5.957 -7.458 191 H VAL 33 H VAL 33 -11.805 -4.100 -6.429 192 HA VAL 33 HA VAL 33 -13.491 -3.002 -4.240 193 HB VAL 33 HB VAL 33 -12.339 -0.845 -4.867 194 1HG1 VAL 33 1HG1 VAL 33 -11.474 -2.387 -3.123 195 2HG1 VAL 33 2HG1 VAL 33 -10.223 -1.468 -3.948 196 3HG1 VAL 33 3HG1 VAL 33 -10.472 -3.167 -4.354 197 1HG2 VAL 33 1HG2 VAL 33 -10.496 -2.511 -6.559 198 2HG2 VAL 33 2HG2 VAL 33 -10.721 -0.779 -6.563 199 3HG2 VAL 33 3HG2 VAL 33 -11.907 -1.819 -7.321 200 H GLY 34 H GLY 34 -13.310 -0.557 -6.524 201 1HA GLY 34 2HA GLY 34 -16.096 -0.607 -7.056 202 2HA GLY 34 1HA GLY 34 -14.908 0.423 -7.853 203 H SER 35 H SER 35 -13.262 -1.550 -8.999 204 HA SER 35 HA SER 35 -14.481 -3.647 -10.370 205 1HB SER 35 2HB SER 35 -15.584 -1.151 -11.278 206 2HB SER 35 1HB SER 35 -14.531 -1.740 -12.543 207 HG SER 35 HG SER 35 -16.621 -2.608 -12.731 208 H ASN 36 H ASN 36 -12.358 -0.824 -10.786 209 HA ASN 36 HA ASN 36 -10.656 -2.016 -12.761 210 1HB ASN 36 2HB ASN 36 -10.393 0.258 -10.788 211 2HB ASN 36 1HB ASN 36 -8.967 -0.272 -11.692 212 1HD2 ASN 36 1HD2 ASN 36 -8.786 0.395 -13.836 213 2HD2 ASN 36 2HD2 ASN 36 -10.030 1.257 -14.667 214 H SER 37 H SER 37 -11.085 -2.771 -9.442 215 HA SER 37 HA SER 37 -9.935 -4.164 -8.036 216 1HB SER 37 2HB SER 37 -8.173 -5.112 -10.284 217 2HB SER 37 1HB SER 37 -8.966 -6.069 -9.041 218 HG SER 37 HG SER 37 -9.946 -6.287 -11.128 219 H TYR 38 H TYR 38 -8.590 -3.171 -6.652 220 HA TYR 38 HA TYR 38 -6.152 -1.874 -7.738 221 1HB TYR 38 2HB TYR 38 -8.102 -0.969 -5.936 222 2HB TYR 38 1HB TYR 38 -6.635 -1.197 -4.973 223 HD1 TYR 38 1HD TYR 38 -8.300 0.970 -7.205 224 HD2 TYR 38 2HD TYR 38 -4.398 -0.392 -6.076 225 HE1 TYR 38 1HE TYR 38 -7.290 3.006 -8.199 226 HE2 TYR 38 2HE TYR 38 -3.394 1.635 -7.076 227 HH TYR 38 HH TYR 38 -5.093 4.358 -7.839 228 HA PRO 39 HA PRO 39 -4.455 -4.493 -4.089 229 1HB PRO 39 2HB PRO 39 -5.768 -6.823 -3.569 230 2HB PRO 39 1HB PRO 39 -6.092 -5.304 -2.745 231 1HG PRO 39 2HG PRO 39 -7.712 -6.695 -4.834 232 2HG PRO 39 1HG PRO 39 -8.246 -5.589 -3.557 233 1HD PRO 39 2HD PRO 39 -7.868 -4.967 -6.278 234 2HD PRO 39 1HD PRO 39 -8.118 -3.798 -4.951 235 H HIS 40 H HIS 40 -2.745 -5.004 -5.500 236 HA HIS 40 HA HIS 40 -2.886 -7.752 -6.700 237 1HB HIS 40 2HB HIS 40 -1.039 -6.159 -8.248 238 2HB HIS 40 1HB HIS 40 -2.501 -6.997 -8.782 239 HD1 HIS 40 1HD HIS 40 -4.792 -5.635 -8.303 240 HD2 HIS 40 2HD HIS 40 -1.280 -3.434 -8.503 241 HE1 HIS 40 1HE HIS 40 -5.427 -3.279 -8.791 242 HE2 HIS 40 2HE HIS 40 -3.336 -1.953 -9.044 243 H LYS 41 H LYS 41 -0.648 -8.657 -7.054 244 HA LYS 41 HA LYS 41 0.899 -8.264 -4.653 245 1HB LYS 41 2HB LYS 41 0.985 -10.472 -5.401 246 2HB LYS 41 1HB LYS 41 1.180 -9.988 -7.062 247 1HG LYS 41 2HG LYS 41 3.381 -9.133 -5.239 248 2HG LYS 41 1HG LYS 41 3.175 -10.861 -5.413 249 1HD LYS 41 2HD LYS 41 3.279 -9.034 -7.822 250 2HD LYS 41 1HD LYS 41 4.714 -9.757 -7.098 251 1HE LYS 41 2HE LYS 41 2.668 -11.786 -7.432 252 2HE LYS 41 1HE LYS 41 2.931 -10.922 -8.950 253 1HZ LYS 41 1HZ LYS 41 4.435 -12.798 -8.711 254 2HZ LYS 41 2HZ LYS 41 5.073 -12.145 -7.289 255 3HZ LYS 41 3HZ LYS 41 5.298 -11.344 -8.766 256 H TYR 42 H TYR 42 2.668 -6.972 -4.354 257 HA TYR 42 HA TYR 42 3.569 -5.372 -6.655 258 1HB TYR 42 2HB TYR 42 2.764 -4.195 -4.594 259 2HB TYR 42 1HB TYR 42 4.084 -4.940 -3.680 260 HD1 TYR 42 1HD TYR 42 5.747 -3.394 -3.258 261 HD2 TYR 42 2HD TYR 42 3.794 -3.337 -7.072 262 HE1 TYR 42 1HE TYR 42 7.264 -1.569 -4.010 263 HE2 TYR 42 2HE TYR 42 5.300 -1.522 -7.824 264 HH TYR 42 HH TYR 42 7.864 -0.763 -7.010 265 H ASN 43 H ASN 43 5.661 -5.587 -7.414 266 HA ASN 43 HA ASN 43 7.374 -7.579 -5.997 267 1HB ASN 43 2HB ASN 43 6.666 -7.312 -8.712 268 2HB ASN 43 1HB ASN 43 8.331 -6.723 -8.644 269 1HD2 ASN 43 1HD2 ASN 43 8.490 -8.869 -9.980 270 2HD2 ASN 43 2HD2 ASN 43 8.826 -10.280 -9.042 271 H ASN 44 H ASN 44 7.050 -4.240 -6.404 272 HA ASN 44 HA ASN 44 8.493 -2.499 -5.854 273 1HB ASN 44 2HB ASN 44 10.428 -4.495 -4.712 274 2HB ASN 44 1HB ASN 44 10.043 -2.867 -4.148 275 1HD2 ASN 44 1HD2 ASN 44 8.361 -2.640 -2.655 276 2HD2 ASN 44 2HD2 ASN 44 7.425 -3.967 -2.084 277 H TYR 45 H TYR 45 10.871 -1.770 -6.133 278 HA TYR 45 HA TYR 45 12.580 -3.133 -7.918 279 1HB TYR 45 2HB TYR 45 10.301 -1.728 -9.181 280 2HB TYR 45 1HB TYR 45 11.855 -1.151 -9.793 281 HD1 TYR 45 1HD TYR 45 13.614 -3.407 -9.775 282 HD2 TYR 45 2HD TYR 45 9.426 -3.238 -10.729 283 HE1 TYR 45 1HE TYR 45 13.858 -5.422 -11.193 284 HE2 TYR 45 2HE TYR 45 9.672 -5.253 -12.153 285 HH TYR 45 HH TYR 45 11.800 -7.379 -12.027 286 H GLU 46 H GLU 46 11.299 0.082 -7.130 287 HA GLU 46 HA GLU 46 13.357 1.757 -7.653 288 1HB GLU 46 2HB GLU 46 11.139 1.816 -5.986 289 2HB GLU 46 1HB GLU 46 12.463 1.973 -4.843 290 1HG GLU 46 2HG GLU 46 12.796 3.634 -7.262 291 2HG GLU 46 1HG GLU 46 11.355 4.004 -6.315 292 H GLY 47 H GLY 47 13.279 -0.497 -4.888 293 1HA GLY 47 2HA GLY 47 15.646 -1.541 -4.620 294 2HA GLY 47 1HA GLY 47 16.174 0.121 -4.370 295 H PHE 48 H PHE 48 13.276 -1.647 -3.192 296 HA PHE 48 HA PHE 48 14.025 -0.733 -0.438 297 1HB PHE 48 2HB PHE 48 11.327 -1.763 -1.383 298 2HB PHE 48 1HB PHE 48 11.702 -0.914 0.126 299 HD1 PHE 48 1HD PHE 48 13.360 1.312 -0.627 300 HD2 PHE 48 2HD PHE 48 9.982 -0.376 -2.681 301 HE1 PHE 48 1HE PHE 48 12.929 3.494 -1.713 302 HE2 PHE 48 2HE PHE 48 9.557 1.808 -3.770 303 HZ PHE 48 HZ PHE 48 11.031 3.726 -3.284 304 H ASP 49 H ASP 49 14.310 -2.256 1.175 305 HA ASP 49 HA ASP 49 14.310 -5.113 0.274 306 1HB ASP 49 2HB ASP 49 15.779 -3.555 2.401 307 2HB ASP 49 1HB ASP 49 15.573 -5.301 2.594 308 H PHE 50 H PHE 50 12.879 -2.896 2.627 309 HA PHE 50 HA PHE 50 11.225 -3.237 4.209 310 1HB PHE 50 2HB PHE 50 10.454 -5.208 2.011 311 2HB PHE 50 1HB PHE 50 9.450 -4.911 3.416 312 HD1 PHE 50 1HD PHE 50 9.330 -2.254 4.038 313 HD2 PHE 50 2HD PHE 50 9.741 -4.006 0.143 314 HE1 PHE 50 1HE PHE 50 8.315 -0.230 3.019 315 HE2 PHE 50 2HE PHE 50 8.743 -1.970 -0.866 316 HZ PHE 50 HZ PHE 50 8.021 -0.091 0.562 317 H SER 51 H SER 51 9.916 -5.409 5.232 318 HA SER 51 HA SER 51 11.853 -7.559 5.771 319 1HB SER 51 2HB SER 51 11.265 -6.898 8.382 320 2HB SER 51 1HB SER 51 12.711 -6.375 7.527 321 HG SER 51 HG SER 51 11.681 -4.582 8.408 322 H VAL 52 H VAL 52 9.341 -7.678 4.521 323 HA VAL 52 HA VAL 52 7.670 -9.017 6.637 324 HB VAL 52 HB VAL 52 6.797 -7.494 4.188 325 1HG1 VAL 52 1HG1 VAL 52 4.507 -8.162 4.806 326 2HG1 VAL 52 2HG1 VAL 52 5.199 -9.228 6.029 327 3HG1 VAL 52 3HG1 VAL 52 5.497 -9.534 4.353 328 1HG2 VAL 52 1HG2 VAL 52 5.499 -6.232 5.849 329 2HG2 VAL 52 2HG2 VAL 52 7.226 -6.071 6.121 330 3HG2 VAL 52 3HG2 VAL 52 6.262 -7.148 7.139 331 H SER 53 H SER 53 8.584 -9.056 3.172 332 HA SER 53 HA SER 53 9.165 -11.758 3.008 333 1HB SER 53 2HB SER 53 6.268 -11.296 3.240 334 2HB SER 53 1HB SER 53 6.696 -12.226 1.827 335 HG SER 53 HG SER 53 7.165 -12.834 4.509 336 H SER 54 H SER 54 8.486 -12.627 0.611 337 HA SER 54 HA SER 54 9.546 -10.568 -1.202 338 1HB SER 54 2HB SER 54 8.705 -13.056 -2.511 339 2HB SER 54 1HB SER 54 10.284 -12.308 -2.369 340 HG SER 54 HG SER 54 10.677 -13.346 -0.515 341 HA PRO 55 HA PRO 55 5.427 -11.405 -3.484 342 1HB PRO 55 2HB PRO 55 3.539 -12.927 -2.204 343 2HB PRO 55 1HB PRO 55 4.779 -13.573 -3.274 344 1HG PRO 55 2HG PRO 55 4.651 -13.664 -0.282 345 2HG PRO 55 1HG PRO 55 5.388 -14.819 -1.407 346 1HD PRO 55 2HD PRO 55 6.730 -12.899 0.086 347 2HD PRO 55 1HD PRO 55 7.395 -13.779 -1.278 348 H TYR 56 H TYR 56 5.392 -9.181 -2.819 349 HA TYR 56 HA TYR 56 3.744 -8.444 -0.486 350 1HB TYR 56 2HB TYR 56 5.486 -7.022 -2.473 351 2HB TYR 56 1HB TYR 56 4.270 -6.075 -1.663 352 HD1 TYR 56 1HD TYR 56 5.695 -8.971 0.061 353 HD2 TYR 56 2HD TYR 56 6.021 -4.737 -0.591 354 HE1 TYR 56 1HE TYR 56 7.110 -8.770 2.018 355 HE2 TYR 56 2HE TYR 56 7.493 -4.583 1.381 356 HH TYR 56 HH TYR 56 7.854 -5.987 3.589 357 H TYR 57 H TYR 57 2.310 -6.335 -1.190 358 HA TYR 57 HA TYR 57 0.833 -6.769 -3.639 359 1HB TYR 57 2HB TYR 57 -0.380 -7.332 -0.938 360 2HB TYR 57 1HB TYR 57 -1.378 -6.974 -2.356 361 HD1 TYR 57 1HD TYR 57 -1.588 -8.558 -4.175 362 HD2 TYR 57 2HD TYR 57 0.958 -9.382 -0.832 363 HE1 TYR 57 1HE TYR 57 -1.391 -10.909 -4.921 364 HE2 TYR 57 2HE TYR 57 1.155 -11.738 -1.564 365 HH TYR 57 HH TYR 57 0.666 -12.877 -4.360 366 H GLU 58 H GLU 58 0.605 -4.781 -4.388 367 HA GLU 58 HA GLU 58 0.812 -2.470 -2.630 368 1HB GLU 58 2HB GLU 58 0.284 -1.209 -4.837 369 2HB GLU 58 1HB GLU 58 1.780 -2.147 -4.750 370 1HG GLU 58 2HG GLU 58 0.926 -3.913 -6.040 371 2HG GLU 58 1HG GLU 58 -0.754 -3.385 -5.832 372 H TRP 59 H TRP 59 -0.754 -1.083 -1.987 373 HA TRP 59 HA TRP 59 -3.464 -1.162 -3.043 374 1HB TRP 59 2HB TRP 59 -3.816 -3.003 -1.588 375 2HB TRP 59 1HB TRP 59 -2.797 -2.312 -0.319 376 HD1 TRP 59 HD TRP 59 -3.871 -0.663 1.343 377 HE1 TRP 59 1HE TRP 59 -6.280 0.120 1.781 378 HE3 TRP 59 3HE TRP 59 -6.151 -2.495 -2.847 379 HZ2 TRP 59 2HZ TRP 59 -8.846 -0.017 0.497 380 HZ3 TRP 59 3HZ TRP 59 -8.557 -2.164 -3.197 381 HH2 TRP 59 HH TRP 59 -9.911 -0.945 -1.569 382 HA PRO 60 HA PRO 60 -2.798 3.012 -1.656 383 1HB PRO 60 2HB PRO 60 -5.360 3.928 -1.913 384 2HB PRO 60 1HB PRO 60 -4.270 3.706 -3.249 385 1HG PRO 60 2HG PRO 60 -6.496 1.940 -2.378 386 2HG PRO 60 1HG PRO 60 -5.955 2.267 -4.029 387 1HD PRO 60 2HD PRO 60 -5.368 -0.008 -2.608 388 2HD PRO 60 1HD PRO 60 -4.379 0.575 -3.910 389 H ILE 61 H ILE 61 -2.997 4.264 0.172 390 HA ILE 61 HA ILE 61 -4.654 3.072 2.382 391 HB ILE 61 HB ILE 61 -2.564 2.627 3.203 392 1HG1 ILE 61 2HG1 ILE 61 -1.812 4.360 4.748 393 2HG1 ILE 61 1HG1 ILE 61 -2.686 5.608 3.869 394 1HG2 ILE 61 1HG2 ILE 61 -0.531 3.947 2.642 395 2HG2 ILE 61 2HG2 ILE 61 -1.528 5.036 1.682 396 3HG2 ILE 61 3HG2 ILE 61 -1.361 3.360 1.221 397 1HD1 ILE 61 1HD1 ILE 61 -4.223 5.155 5.485 398 2HD1 ILE 61 2HD1 ILE 61 -3.676 3.511 5.688 399 3HD1 ILE 61 3HD1 ILE 61 -4.722 3.912 4.383 400 H LEU 62 H LEU 62 -6.165 4.481 3.160 401 HA LEU 62 HA LEU 62 -5.688 7.414 2.759 402 1HB LEU 62 2HB LEU 62 -8.489 6.412 2.983 403 2HB LEU 62 1HB LEU 62 -7.812 7.717 1.996 404 HG LEU 62 HG LEU 62 -7.630 4.735 1.439 405 1HD1 LEU 62 1HD1 LEU 62 -9.733 6.153 0.880 406 2HD1 LEU 62 2HD1 LEU 62 -9.030 5.158 -0.379 407 3HD1 LEU 62 3HD1 LEU 62 -8.724 6.894 -0.361 408 1HD2 LEU 62 1HD2 LEU 62 -5.779 5.144 0.233 409 2HD2 LEU 62 2HD2 LEU 62 -5.781 6.845 0.714 410 3HD2 LEU 62 3HD2 LEU 62 -6.634 6.344 -0.691 411 H SER 63 H SER 63 -6.924 8.756 4.379 412 HA SER 63 HA SER 63 -7.278 7.300 6.984 413 1HB SER 63 2HB SER 63 -5.350 8.369 7.617 414 2HB SER 63 1HB SER 63 -5.478 9.572 6.317 415 HG SER 63 HG SER 63 -5.794 10.399 8.467 416 H SER 64 H SER 64 -8.881 8.875 4.662 417 HA SER 64 HA SER 64 -10.317 10.848 6.259 418 1HB SER 64 2HB SER 64 -9.973 10.355 3.524 419 2HB SER 64 1HB SER 64 -11.667 9.961 3.797 420 HG SER 64 HG SER 64 -12.038 11.987 4.522 421 H GLY 65 H GLY 65 -11.565 7.986 4.472 422 1HA GLY 65 2HA GLY 65 -12.608 6.445 6.467 423 2HA GLY 65 1HA GLY 65 -13.786 7.757 6.396 424 H ASP 66 H ASP 66 -12.012 5.698 4.046 425 HA ASP 66 HA ASP 66 -14.400 4.517 3.010 426 1HB ASP 66 2HB ASP 66 -14.295 7.126 2.179 427 2HB ASP 66 1HB ASP 66 -13.332 6.378 0.912 428 H VAL 67 H VAL 67 -13.842 2.800 1.662 429 HA VAL 67 HA VAL 67 -10.985 2.204 1.438 430 HB VAL 67 HB VAL 67 -13.422 0.744 0.352 431 1HG1 VAL 67 1HG1 VAL 67 -11.376 0.150 -0.890 432 2HG1 VAL 67 2HG1 VAL 67 -11.858 -1.171 0.152 433 3HG1 VAL 67 3HG1 VAL 67 -10.549 -0.118 0.632 434 1HG2 VAL 67 1HG2 VAL 67 -13.028 -0.752 2.282 435 2HG2 VAL 67 2HG2 VAL 67 -13.374 0.893 2.808 436 3HG2 VAL 67 3HG2 VAL 67 -11.714 0.294 2.824 437 H TYR 68 H TYR 68 -9.791 2.047 -0.518 438 HA TYR 68 HA TYR 68 -10.461 3.983 -2.529 439 1HB TYR 68 2HB TYR 68 -8.172 2.632 -1.809 440 2HB TYR 68 1HB TYR 68 -8.548 1.843 -3.348 441 HD1 TYR 68 1HD TYR 68 -8.653 3.156 -5.427 442 HD2 TYR 68 2HD TYR 68 -7.567 4.943 -1.718 443 HE1 TYR 68 1HE TYR 68 -7.789 5.132 -6.635 444 HE2 TYR 68 2HE TYR 68 -6.701 6.942 -2.903 445 HH TYR 68 HH TYR 68 -5.794 7.116 -5.782 446 H SER 69 H SER 69 -10.644 3.396 -4.912 447 HA SER 69 HA SER 69 -11.628 0.808 -5.661 448 1HB SER 69 2HB SER 69 -13.583 3.020 -5.070 449 2HB SER 69 1HB SER 69 -13.977 1.775 -6.262 450 HG SER 69 HG SER 69 -13.746 1.559 -3.503 451 H GLY 70 H GLY 70 -9.634 2.270 -6.778 452 1HA GLY 70 2HA GLY 70 -9.004 2.694 -9.036 453 2HA GLY 70 1HA GLY 70 -10.692 2.800 -9.476 454 H GLY 71 H GLY 71 -7.954 4.641 -9.007 455 1HA GLY 71 2HA GLY 71 -9.289 7.120 -9.502 456 2HA GLY 71 1HA GLY 71 -8.926 7.013 -7.777 457 H SER 72 H SER 72 -6.958 5.732 -10.472 458 HA SER 72 HA SER 72 -4.884 6.425 -11.234 459 1HB SER 72 2HB SER 72 -4.279 8.625 -11.091 460 2HB SER 72 1HB SER 72 -5.975 8.802 -10.644 461 HG SER 72 HG SER 72 -4.632 9.838 -9.126 462 HA PRO 73 HA PRO 73 -2.883 4.580 -7.581 463 1HB PRO 73 2HB PRO 73 -1.064 3.153 -9.022 464 2HB PRO 73 1HB PRO 73 -2.702 2.614 -8.756 465 1HG PRO 73 2HG PRO 73 -1.496 3.733 -11.233 466 2HG PRO 73 1HG PRO 73 -2.872 2.628 -11.064 467 1HD PRO 73 2HD PRO 73 -3.010 5.419 -11.573 468 2HD PRO 73 1HD PRO 73 -4.361 4.360 -11.118 469 H GLY 74 H GLY 74 -1.500 5.889 -6.477 470 1HA GLY 74 2HA GLY 74 1.142 6.308 -7.144 471 2HA GLY 74 1HA GLY 74 0.308 7.718 -7.789 472 H ALA 75 H ALA 75 1.736 8.829 -6.089 473 HA ALA 75 HA ALA 75 2.055 9.787 -4.000 474 1HB ALA 75 1HB ALA 75 0.131 10.859 -3.188 475 2HB ALA 75 2HB ALA 75 -0.939 9.540 -3.675 476 3HB ALA 75 3HB ALA 75 -0.236 10.607 -4.890 477 H ASP 76 H ASP 76 0.341 9.468 -1.680 478 HA ASP 76 HA ASP 76 1.563 7.584 -0.173 479 1HB ASP 76 2HB ASP 76 -1.384 8.331 -0.120 480 2HB ASP 76 1HB ASP 76 -0.578 7.437 1.178 481 H ARG 77 H ARG 77 1.695 5.408 -0.136 482 HA ARG 77 HA ARG 77 -0.496 3.736 -1.095 483 1HB ARG 77 2HB ARG 77 2.083 4.155 -2.638 484 2HB ARG 77 1HB ARG 77 1.245 2.601 -2.737 485 1HG ARG 77 2HG ARG 77 0.150 5.288 -3.543 486 2HG ARG 77 1HG ARG 77 0.504 3.913 -4.552 487 1HD ARG 77 2HD ARG 77 -1.181 2.645 -3.012 488 2HD ARG 77 1HD ARG 77 -1.752 4.263 -2.598 489 HE ARG 77 HE ARG 77 -1.191 3.522 -5.167 490 1HH1 ARG 77 1HH2 ARG 77 -1.893 6.039 -3.717 491 2HH1 ARG 77 2HH2 ARG 77 -3.338 6.585 -4.478 492 1HH2 ARG 77 1HH1 ARG 77 -4.031 3.593 -6.005 493 2HH2 ARG 77 2HH1 ARG 77 -4.550 5.209 -5.804 494 H VAL 78 H VAL 78 -0.542 2.050 0.288 495 HA VAL 78 HA VAL 78 2.006 1.367 1.703 496 HB VAL 78 HB VAL 78 -0.822 1.581 2.519 497 1HG1 VAL 78 1HG1 VAL 78 -0.703 -0.860 2.522 498 2HG1 VAL 78 2HG1 VAL 78 -0.753 -0.218 4.149 499 3HG1 VAL 78 3HG1 VAL 78 0.773 -0.798 3.489 500 1HG2 VAL 78 1HG2 VAL 78 1.636 2.502 3.367 501 2HG2 VAL 78 2HG2 VAL 78 1.260 1.271 4.565 502 3HG2 VAL 78 3HG2 VAL 78 0.144 2.596 4.255 503 H VAL 79 H VAL 79 2.652 -0.811 1.884 504 HA VAL 79 HA VAL 79 1.250 -2.691 0.007 505 HB VAL 79 HB VAL 79 4.190 -2.945 0.582 506 1HG1 VAL 79 1HG1 VAL 79 2.437 -3.566 -1.778 507 2HG1 VAL 79 2HG1 VAL 79 3.058 -4.726 -0.628 508 3HG1 VAL 79 3HG1 VAL 79 4.154 -3.888 -1.682 509 1HG2 VAL 79 1HG2 VAL 79 4.644 -1.564 -1.422 510 2HG2 VAL 79 2HG2 VAL 79 4.019 -0.632 -0.069 511 3HG2 VAL 79 3HG2 VAL 79 2.955 -1.056 -1.413 512 H PHE 80 H PHE 80 1.964 -5.009 0.538 513 HA PHE 80 HA PHE 80 2.690 -5.637 3.228 514 1HB PHE 80 2HB PHE 80 0.477 -6.325 4.021 515 2HB PHE 80 1HB PHE 80 0.434 -4.637 3.568 516 HD1 PHE 80 1HD PHE 80 -1.250 -7.661 3.256 517 HD2 PHE 80 2HD PHE 80 -0.155 -4.198 0.972 518 HE1 PHE 80 1HE PHE 80 -3.052 -8.123 1.644 519 HE2 PHE 80 2HE PHE 80 -1.961 -4.660 -0.627 520 HZ PHE 80 HZ PHE 80 -3.431 -6.621 -0.289 521 H ASN 81 H ASN 81 1.436 -8.085 3.535 522 HA ASN 81 HA ASN 81 2.133 -9.500 0.983 523 1HB ASN 81 2HB ASN 81 2.891 -10.005 3.842 524 2HB ASN 81 1HB ASN 81 2.588 -11.418 2.821 525 1HD2 ASN 81 1HD2 ASN 81 4.079 -11.903 1.167 526 2HD2 ASN 81 2HD2 ASN 81 5.494 -10.958 0.885 527 H GLU 82 H GLU 82 0.728 -10.730 3.976 528 HA GLU 82 HA GLU 82 -1.949 -10.874 2.856 529 1HB GLU 82 2HB GLU 82 -1.723 -13.569 3.241 530 2HB GLU 82 1HB GLU 82 -1.504 -12.798 1.683 531 1HG GLU 82 2HG GLU 82 0.921 -12.899 3.455 532 2HG GLU 82 1HG GLU 82 0.321 -14.424 2.813 533 H ASN 83 H ASN 83 -0.360 -10.090 5.311 534 HA ASN 83 HA ASN 83 -2.231 -11.270 7.276 535 1HB ASN 83 2HB ASN 83 0.790 -11.437 7.461 536 2HB ASN 83 1HB ASN 83 -0.280 -11.738 8.829 537 1HD2 ASN 83 1HD2 ASN 83 0.684 -12.927 5.627 538 2HD2 ASN 83 2HD2 ASN 83 0.021 -14.504 5.859 539 H ASN 84 H ASN 84 -1.324 -8.583 5.919 540 HA ASN 84 HA ASN 84 -1.256 -6.391 6.564 541 1HB ASN 84 2HB ASN 84 -3.241 -6.853 7.877 542 2HB ASN 84 1HB ASN 84 -2.296 -7.582 9.169 543 1HD2 ASN 84 1HD2 ASN 84 -1.408 -4.602 7.439 544 2HD2 ASN 84 2HD2 ASN 84 -1.546 -3.614 8.831 545 H GLN 85 H GLN 85 0.968 -8.478 7.289 546 HA GLN 85 HA GLN 85 2.381 -7.748 9.580 547 1HB GLN 85 2HB GLN 85 3.919 -8.008 7.023 548 2HB GLN 85 1HB GLN 85 4.281 -8.691 8.602 549 1HG GLN 85 2HG GLN 85 1.919 -9.953 8.005 550 2HG GLN 85 1HG GLN 85 2.625 -9.759 6.388 551 1HE2 GLN 85 1HE2 GLN 85 3.944 -10.506 9.662 552 2HE2 GLN 85 2HE2 GLN 85 4.799 -11.903 9.117 553 H LEU 86 H LEU 86 1.964 -6.067 6.528 554 HA LEU 86 HA LEU 86 2.084 -3.804 6.158 555 1HB LEU 86 2HB LEU 86 2.074 -3.654 8.809 556 2HB LEU 86 1HB LEU 86 3.802 -3.332 8.606 557 HG LEU 86 HG LEU 86 2.705 -1.203 8.625 558 1HD1 LEU 86 1HD1 LEU 86 4.468 -1.708 6.801 559 2HD1 LEU 86 2HD1 LEU 86 3.437 -0.308 6.590 560 3HD1 LEU 86 3HD1 LEU 86 3.090 -1.763 5.685 561 1HD2 LEU 86 1HD2 LEU 86 0.801 -0.666 7.326 562 2HD2 LEU 86 2HD2 LEU 86 0.433 -2.242 8.020 563 3HD2 LEU 86 3HD2 LEU 86 0.952 -2.113 6.339 564 H ALA 87 H ALA 87 3.395 -3.576 4.435 565 HA ALA 87 HA ALA 87 6.219 -4.410 4.540 566 1HB ALA 87 1HB ALA 87 4.480 -3.179 2.425 567 2HB ALA 87 2HB ALA 87 5.067 -4.827 2.470 568 3HB ALA 87 3HB ALA 87 6.174 -3.480 2.157 569 H GLY 88 H GLY 88 4.354 -1.386 4.182 570 1HA GLY 88 2HA GLY 88 5.855 0.304 5.738 571 2HA GLY 88 1HA GLY 88 6.774 0.273 4.237 572 H VAL 89 H VAL 89 6.209 2.601 4.089 573 HA VAL 89 HA VAL 89 3.525 2.929 2.798 574 HB VAL 89 HB VAL 89 4.785 4.918 4.720 575 1HG1 VAL 89 1HG1 VAL 89 2.078 4.813 3.337 576 2HG1 VAL 89 2HG1 VAL 89 3.381 5.944 2.970 577 3HG1 VAL 89 3HG1 VAL 89 2.568 6.017 4.528 578 1HG2 VAL 89 1HG2 VAL 89 2.899 4.270 6.207 579 2HG2 VAL 89 2HG2 VAL 89 3.990 2.926 5.928 580 3HG2 VAL 89 3HG2 VAL 89 2.483 3.009 5.106 581 H ILE 90 H ILE 90 4.499 2.918 0.762 582 HA ILE 90 HA ILE 90 6.661 4.891 0.198 583 HB ILE 90 HB ILE 90 6.786 3.821 -1.957 584 1HG1 ILE 90 2HG1 ILE 90 4.135 2.696 -1.113 585 2HG1 ILE 90 1HG1 ILE 90 4.654 3.194 -2.697 586 1HG2 ILE 90 1HG2 ILE 90 6.496 1.705 0.182 587 2HG2 ILE 90 2HG2 ILE 90 7.866 2.802 0.053 588 3HG2 ILE 90 3HG2 ILE 90 7.551 1.656 -1.235 589 1HD1 ILE 90 1HD1 ILE 90 5.351 0.631 -1.271 590 2HD1 ILE 90 2HD1 ILE 90 6.091 1.138 -2.787 591 3HD1 ILE 90 3HD1 ILE 90 4.361 0.827 -2.707 592 H THR 91 H THR 91 6.377 6.553 -1.396 593 HA THR 91 HA THR 91 3.533 7.119 -2.108 594 HB THR 91 HB THR 91 4.283 8.642 -0.318 595 HG1 THR 91 1HG THR 91 3.574 10.434 -1.362 596 1HG2 THR 91 1HG2 THR 91 6.726 8.500 -0.882 597 2HG2 THR 91 2HG2 THR 91 6.136 10.131 -0.650 598 3HG2 THR 91 3HG2 THR 91 6.417 9.541 -2.273 599 H HIS 92 H HIS 92 3.199 7.574 -4.246 600 HA HIS 92 HA HIS 92 5.445 7.397 -6.070 601 1HB HIS 92 2HB HIS 92 2.692 6.878 -6.193 602 2HB HIS 92 1HB HIS 92 2.971 8.108 -7.428 603 HD1 HIS 92 1HD HIS 92 2.895 6.659 -9.479 604 HD2 HIS 92 2HD HIS 92 5.405 5.176 -6.556 605 HE1 HIS 92 1HE HIS 92 4.146 4.736 -10.540 606 HE2 HIS 92 2HE HIS 92 5.899 4.044 -8.857 607 H THR 93 H THR 93 6.442 9.412 -5.160 608 HA THR 93 HA THR 93 5.892 11.644 -6.919 609 HB THR 93 HB THR 93 5.330 12.185 -3.978 610 HG1 THR 93 1HG THR 93 3.205 11.920 -4.394 611 1HG2 THR 93 1HG2 THR 93 4.327 14.233 -4.902 612 2HG2 THR 93 2HG2 THR 93 4.781 13.729 -6.529 613 3HG2 THR 93 3HG2 THR 93 6.030 14.102 -5.337 614 H GLY 94 H GLY 94 7.760 12.869 -7.070 615 1HA GLY 94 2HA GLY 94 9.743 13.903 -6.237 616 2HA GLY 94 1HA GLY 94 9.677 12.902 -4.791 617 H ALA 95 H ALA 95 9.263 11.435 -7.958 618 HA ALA 95 HA ALA 95 12.111 10.710 -8.166 619 1HB ALA 95 1HB ALA 95 11.403 8.205 -8.169 620 2HB ALA 95 2HB ALA 95 10.019 8.773 -7.231 621 3HB ALA 95 3HB ALA 95 11.634 9.027 -6.639 622 H SER 96 H SER 96 11.930 11.636 -10.272 623 HA SER 96 HA SER 96 11.275 11.736 -12.518 624 1HB SER 96 2HB SER 96 12.621 9.504 -12.120 625 2HB SER 96 1HB SER 96 11.079 8.716 -12.448 626 HG SER 96 HG SER 96 11.074 9.570 -14.472 627 H GLY 97 H GLY 97 9.120 12.635 -11.933 628 1HA GLY 97 2HA GLY 97 6.834 12.628 -12.543 629 2HA GLY 97 1HA GLY 97 6.954 10.923 -12.978 630 H ASN 98 H ASN 98 7.336 9.429 -11.000 631 HA ASN 98 HA ASN 98 6.174 10.471 -8.487 632 1HB ASN 98 2HB ASN 98 4.811 8.028 -8.992 633 2HB ASN 98 1HB ASN 98 4.122 9.603 -8.834 634 1HD2 ASN 98 1HD2 ASN 98 5.541 7.409 -11.254 635 2HD2 ASN 98 2HD2 ASN 98 4.680 8.116 -12.562 636 H ASN 99 H ASN 99 6.413 7.093 -9.612 637 HA ASN 99 HA ASN 99 7.654 5.345 -8.808 638 1HB ASN 99 2HB ASN 99 9.486 7.643 -8.875 639 2HB ASN 99 1HB ASN 99 10.013 6.403 -7.756 640 1HD2 ASN 99 1HD2 ASN 99 11.735 6.549 -9.687 641 2HD2 ASN 99 2HD2 ASN 99 11.446 5.400 -10.944 642 H PHE 100 H PHE 100 7.763 4.221 -6.883 643 HA PHE 100 HA PHE 100 6.615 5.571 -4.553 644 1HB PHE 100 2HB PHE 100 7.690 2.784 -4.271 645 2HB PHE 100 1HB PHE 100 6.209 3.514 -3.723 646 HD1 PHE 100 1HD PHE 100 4.216 3.663 -5.058 647 HD2 PHE 100 2HD PHE 100 7.848 1.939 -6.577 648 HE1 PHE 100 1HE PHE 100 2.957 2.686 -6.958 649 HE2 PHE 100 2HE PHE 100 6.585 0.962 -8.479 650 HZ PHE 100 HZ PHE 100 4.141 1.336 -8.668 651 H VAL 101 H VAL 101 7.654 5.843 -2.543 652 HA VAL 101 HA VAL 101 10.501 5.179 -2.251 653 HB VAL 101 HB VAL 101 10.717 7.759 -1.484 654 1HG1 VAL 101 1HG1 VAL 101 10.984 6.851 -4.364 655 2HG1 VAL 101 2HG1 VAL 101 12.156 6.496 -3.096 656 3HG1 VAL 101 3HG1 VAL 101 11.854 8.162 -3.576 657 1HG2 VAL 101 1HG2 VAL 101 9.527 9.222 -2.944 658 2HG2 VAL 101 2HG2 VAL 101 8.326 8.145 -2.251 659 3HG2 VAL 101 3HG2 VAL 101 8.884 7.890 -3.901 660 H GLU 102 H GLU 102 10.507 4.241 -0.291 661 HA GLU 102 HA GLU 102 8.545 4.297 1.637 662 1HB GLU 102 2HB GLU 102 10.363 3.837 3.332 663 2HB GLU 102 1HB GLU 102 10.466 2.842 1.875 664 1HG GLU 102 2HG GLU 102 12.367 3.794 1.143 665 2HG GLU 102 1HG GLU 102 11.977 5.403 1.724 666 H CYS 103 H CYS 103 7.755 5.787 3.067 667 HA CYS 103 HA CYS 103 8.676 8.538 2.921 668 1HB CYS 103 2HB CYS 103 6.742 7.194 4.858 669 2HB CYS 103 1HB CYS 103 6.931 8.928 4.617 670 H THR 104 H THR 104 10.671 8.969 3.815 671 HA THR 104 HA THR 104 11.063 8.202 6.687 672 HB THR 104 HB THR 104 12.379 6.629 5.289 673 HG1 THR 104 1HG THR 104 13.433 7.122 7.150 674 1HG2 THR 104 1HG2 THR 104 12.586 8.118 3.302 675 2HG2 THR 104 2HG2 THR 104 14.127 7.459 3.825 676 3HG2 THR 104 3HG2 THR 104 13.723 9.123 4.203 Start of MODEL 15 1 1H ALA 1 1HT ALA 1 -0.763 12.172 16.965 2 2H ALA 1 2HT ALA 1 -1.572 11.104 15.888 3 3H ALA 1 3HT ALA 1 -0.839 12.542 15.296 4 HA ALA 1 HA ALA 1 1.333 11.729 15.908 5 1HB ALA 1 1HB ALA 1 -0.204 9.232 16.694 6 2HB ALA 1 2HB ALA 1 0.618 10.330 17.801 7 3HB ALA 1 3HB ALA 1 1.555 9.382 16.648 8 H CYS 2 H CYS 2 2.508 10.388 14.339 9 HA CYS 2 HA CYS 2 1.284 8.647 12.501 10 1HB CYS 2 2HB CYS 2 1.178 10.184 10.508 11 2HB CYS 2 1HB CYS 2 -0.066 10.496 11.717 12 H ASP 3 H ASP 3 3.250 7.563 12.539 13 HA ASP 3 HA ASP 3 5.771 8.902 12.181 14 1HB ASP 3 2HB ASP 3 5.225 6.495 13.129 15 2HB ASP 3 1HB ASP 3 5.364 5.985 11.442 16 H TYR 4 H TYR 4 3.282 7.893 9.991 17 HA TYR 4 HA TYR 4 5.135 8.149 7.666 18 1HB TYR 4 2HB TYR 4 2.316 7.037 7.962 19 2HB TYR 4 1HB TYR 4 3.116 7.251 6.396 20 HD1 TYR 4 1HD TYR 4 2.404 4.843 8.733 21 HD2 TYR 4 2HD TYR 4 5.733 6.406 6.521 22 HE1 TYR 4 1HE TYR 4 3.594 2.681 8.997 23 HE2 TYR 4 2HE TYR 4 6.927 4.250 6.785 24 HH TYR 4 HH TYR 4 5.746 1.526 7.352 25 H THR 5 H THR 5 5.276 10.480 7.995 26 HA THR 5 HA THR 5 2.739 11.969 7.465 27 HB THR 5 HB THR 5 5.478 12.889 8.397 28 HG1 THR 5 1HG THR 5 4.484 13.058 10.342 29 1HG2 THR 5 1HG2 THR 5 3.827 14.974 8.838 30 2HG2 THR 5 2HG2 THR 5 3.113 14.373 7.349 31 3HG2 THR 5 3HG2 THR 5 4.820 14.828 7.400 32 H CYS 6 H CYS 6 2.996 11.016 5.156 33 HA CYS 6 HA CYS 6 5.091 12.298 3.518 34 1HB CYS 6 2HB CYS 6 2.625 10.936 2.412 35 2HB CYS 6 1HB CYS 6 4.244 11.044 1.707 36 H GLY 7 H GLY 7 4.580 13.877 1.834 37 1HA GLY 7 2HA GLY 7 3.651 15.972 1.295 38 2HA GLY 7 1HA GLY 7 2.150 15.049 1.218 39 H SER 8 H SER 8 0.692 15.173 2.958 40 HA SER 8 HA SER 8 1.440 16.533 5.450 41 1HB SER 8 2HB SER 8 0.895 18.317 3.587 42 2HB SER 8 1HB SER 8 -0.786 17.867 3.892 43 HG SER 8 HG SER 8 -0.601 18.572 5.962 44 H ASN 9 H ASN 9 0.435 13.939 4.869 45 HA ASN 9 HA ASN 9 -2.457 14.056 5.571 46 1HB ASN 9 2HB ASN 9 -0.572 11.913 4.590 47 2HB ASN 9 1HB ASN 9 -2.068 11.460 5.377 48 1HD2 ASN 9 1HD2 ASN 9 -1.022 13.788 2.859 49 2HD2 ASN 9 2HD2 ASN 9 -2.389 13.487 1.857 50 H CYS 10 H CYS 10 0.675 13.019 6.941 51 HA CYS 10 HA CYS 10 1.203 12.409 9.087 52 1HB CYS 10 2HB CYS 10 0.307 14.641 9.645 53 2HB CYS 10 1HB CYS 10 -1.333 13.996 9.719 54 H TYR 11 H TYR 11 0.289 10.283 7.927 55 HA TYR 11 HA TYR 11 -2.164 9.259 9.253 56 1HB TYR 11 2HB TYR 11 -0.406 8.406 6.961 57 2HB TYR 11 1HB TYR 11 -1.310 7.142 7.812 58 HD1 TYR 11 1HD TYR 11 -2.694 6.694 5.859 59 HD2 TYR 11 2HD TYR 11 -2.620 10.585 7.659 60 HE1 TYR 11 1HE TYR 11 -4.709 7.341 4.620 61 HE2 TYR 11 2HE TYR 11 -4.656 11.204 6.453 62 HH TYR 11 HH TYR 11 -5.745 9.996 3.903 63 H SER 12 H SER 12 -2.218 7.573 10.696 64 HA SER 12 HA SER 12 0.233 7.189 12.256 65 1HB SER 12 2HB SER 12 -2.408 5.805 12.717 66 2HB SER 12 1HB SER 12 -1.149 6.182 13.887 67 HG SER 12 HG SER 12 -1.731 8.284 13.848 68 H SER 13 H SER 13 1.536 5.413 12.205 69 HA SER 13 HA SER 13 1.331 3.531 10.061 70 1HB SER 13 2HB SER 13 3.181 2.385 11.107 71 2HB SER 13 1HB SER 13 3.437 4.119 11.342 72 HG SER 13 HG SER 13 3.729 3.090 13.313 73 H SER 14 H SER 14 -0.070 3.647 13.247 74 HA SER 14 HA SER 14 -0.716 0.803 13.345 75 1HB SER 14 2HB SER 14 -0.547 1.808 15.480 76 2HB SER 14 1HB SER 14 -1.477 3.229 14.987 77 HG SER 14 HG SER 14 -2.611 1.568 16.288 78 H ASP 15 H ASP 15 -2.270 3.795 12.295 79 HA ASP 15 HA ASP 15 -4.862 2.517 11.876 80 1HB ASP 15 2HB ASP 15 -3.673 5.231 11.450 81 2HB ASP 15 1HB ASP 15 -4.964 4.790 10.344 82 H VAL 16 H VAL 16 -1.920 3.012 10.070 83 HA VAL 16 HA VAL 16 -3.004 2.550 7.479 84 HB VAL 16 HB VAL 16 -0.243 1.779 8.465 85 1HG1 VAL 16 1HG1 VAL 16 -1.544 2.032 5.780 86 2HG1 VAL 16 2HG1 VAL 16 -0.357 0.902 6.353 87 3HG1 VAL 16 3HG1 VAL 16 0.137 2.525 5.919 88 1HG2 VAL 16 1HG2 VAL 16 0.170 3.959 8.712 89 2HG2 VAL 16 2HG2 VAL 16 -1.472 4.387 8.284 90 3HG2 VAL 16 3HG2 VAL 16 -0.240 4.259 7.047 91 H SER 17 H SER 17 -2.323 0.488 10.180 92 HA SER 17 HA SER 17 -2.189 -2.008 8.791 93 1HB SER 17 2HB SER 17 -1.534 -1.602 11.195 94 2HB SER 17 1HB SER 17 -3.254 -1.550 11.598 95 HG SER 17 HG SER 17 -2.152 -3.666 11.773 96 H THR 18 H THR 18 -4.891 -0.160 10.232 97 HA THR 18 HA THR 18 -6.908 -2.112 9.646 98 HB THR 18 HB THR 18 -7.775 0.732 9.433 99 HG1 THR 18 1HG THR 18 -6.439 -0.146 11.806 100 1HG2 THR 18 1HG2 THR 18 -9.295 -1.152 9.910 101 2HG2 THR 18 2HG2 THR 18 -9.279 0.025 11.223 102 3HG2 THR 18 3HG2 THR 18 -8.399 -1.493 11.394 103 H ALA 19 H ALA 19 -5.578 0.634 7.837 104 HA ALA 19 HA ALA 19 -7.279 0.200 5.512 105 1HB ALA 19 1HB ALA 19 -5.200 1.611 4.513 106 2HB ALA 19 2HB ALA 19 -4.994 1.923 6.247 107 3HB ALA 19 3HB ALA 19 -6.498 2.352 5.454 108 H GLN 20 H GLN 20 -4.491 -1.311 6.815 109 HA GLN 20 HA GLN 20 -3.469 -2.255 4.297 110 1HB GLN 20 2HB GLN 20 -2.407 -2.030 6.863 111 2HB GLN 20 1HB GLN 20 -2.613 -3.759 6.707 112 1HG GLN 20 2HG GLN 20 -0.915 -1.904 5.119 113 2HG GLN 20 1HG GLN 20 -0.497 -3.442 5.842 114 1HE2 GLN 20 1HE2 GLN 20 -1.605 -1.972 2.931 115 2HE2 GLN 20 2HE2 GLN 20 -1.952 -3.406 2.096 116 H ALA 21 H ALA 21 -5.647 -3.357 6.806 117 HA ALA 21 HA ALA 21 -5.774 -6.101 5.815 118 1HB ALA 21 1HB ALA 21 -7.671 -6.309 7.387 119 2HB ALA 21 2HB ALA 21 -7.613 -4.568 7.681 120 3HB ALA 21 3HB ALA 21 -6.261 -5.590 8.167 121 H ALA 22 H ALA 22 -7.051 -3.063 4.883 122 HA ALA 22 HA ALA 22 -9.555 -3.982 3.763 123 1HB ALA 22 1HB ALA 22 -9.692 -1.722 3.968 124 2HB ALA 22 2HB ALA 22 -8.964 -1.718 2.365 125 3HB ALA 22 3HB ALA 22 -7.958 -1.478 3.785 126 H GLY 23 H GLY 23 -6.457 -2.950 2.231 127 1HA GLY 23 2HA GLY 23 -7.103 -3.967 -0.371 128 2HA GLY 23 1HA GLY 23 -5.474 -3.687 0.235 129 H TYR 24 H TYR 24 -6.062 -5.495 2.579 130 HA TYR 24 HA TYR 24 -5.078 -7.905 1.335 131 1HB TYR 24 2HB TYR 24 -4.370 -7.204 3.615 132 2HB TYR 24 1HB TYR 24 -6.037 -7.395 4.183 133 HD1 TYR 24 1HD TYR 24 -5.962 -9.202 5.678 134 HD2 TYR 24 2HD TYR 24 -4.044 -9.540 1.846 135 HE1 TYR 24 1HE TYR 24 -5.530 -11.608 6.098 136 HE2 TYR 24 2HE TYR 24 -3.624 -11.935 2.261 137 HH TYR 24 HH TYR 24 -5.010 -13.793 4.052 138 H GLN 25 H GLN 25 -8.170 -6.817 2.696 139 HA GLN 25 HA GLN 25 -9.455 -9.398 2.515 140 1HB GLN 25 2HB GLN 25 -10.129 -7.020 3.686 141 2HB GLN 25 1HB GLN 25 -11.136 -6.933 2.238 142 1HG GLN 25 2HG GLN 25 -12.270 -8.941 2.765 143 2HG GLN 25 1HG GLN 25 -11.079 -9.395 3.996 144 1HE2 GLN 25 1HE2 GLN 25 -12.574 -6.165 3.552 145 2HE2 GLN 25 2HE2 GLN 25 -13.313 -6.176 5.104 146 H LEU 26 H LEU 26 -9.404 -6.513 0.401 147 HA LEU 26 HA LEU 26 -11.042 -7.753 -1.642 148 1HB LEU 26 2HB LEU 26 -10.532 -5.218 -1.228 149 2HB LEU 26 1HB LEU 26 -9.049 -5.519 -2.135 150 HG LEU 26 HG LEU 26 -10.614 -6.584 -3.935 151 1HD1 LEU 26 1HD1 LEU 26 -12.887 -5.566 -3.922 152 2HD1 LEU 26 2HD1 LEU 26 -12.573 -4.941 -2.309 153 3HD1 LEU 26 3HD1 LEU 26 -12.640 -6.681 -2.586 154 1HD2 LEU 26 1HD2 LEU 26 -9.696 -4.675 -4.755 155 2HD2 LEU 26 2HD2 LEU 26 -10.065 -3.727 -3.318 156 3HD2 LEU 26 3HD2 LEU 26 -11.302 -4.045 -4.513 157 H HIS 27 H HIS 27 -7.729 -7.990 -0.726 158 HA HIS 27 HA HIS 27 -6.839 -8.936 -3.368 159 1HB HIS 27 2HB HIS 27 -5.301 -7.593 -1.977 160 2HB HIS 27 1HB HIS 27 -5.387 -8.797 -0.691 161 HD1 HIS 27 1HD HIS 27 -4.858 -9.125 -4.462 162 HD2 HIS 27 2HD HIS 27 -3.063 -10.234 -0.865 163 HE1 HIS 27 1HE HIS 27 -2.847 -10.528 -5.072 164 HE2 HIS 27 2HE HIS 27 -2.108 -11.533 -2.881 165 H GLU 28 H GLU 28 -8.107 -10.219 -0.396 166 HA GLU 28 HA GLU 28 -7.033 -12.919 -0.879 167 1HB GLU 28 2HB GLU 28 -7.327 -12.040 1.425 168 2HB GLU 28 1HB GLU 28 -9.071 -11.935 1.161 169 1HG GLU 28 2HG GLU 28 -7.936 -14.580 0.466 170 2HG GLU 28 1HG GLU 28 -7.714 -14.128 2.162 171 H ASP 29 H ASP 29 -9.896 -11.046 -1.598 172 HA ASP 29 HA ASP 29 -11.381 -13.513 -2.317 173 1HB ASP 29 2HB ASP 29 -12.334 -11.370 -1.059 174 2HB ASP 29 1HB ASP 29 -12.504 -10.733 -2.698 175 H GLY 30 H GLY 30 -9.304 -11.231 -3.741 176 1HA GLY 30 2HA GLY 30 -8.666 -10.950 -5.960 177 2HA GLY 30 1HA GLY 30 -9.647 -12.360 -6.364 178 H GLU 31 H GLU 31 -11.248 -9.784 -4.664 179 HA GLU 31 HA GLU 31 -12.891 -9.275 -7.064 180 1HB GLU 31 2HB GLU 31 -14.168 -9.589 -5.092 181 2HB GLU 31 1HB GLU 31 -13.126 -8.518 -4.145 182 1HG GLU 31 2HG GLU 31 -13.907 -6.587 -5.385 183 2HG GLU 31 1HG GLU 31 -14.875 -7.610 -6.454 184 H THR 32 H THR 32 -13.455 -6.935 -7.524 185 HA THR 32 HA THR 32 -10.981 -5.283 -7.374 186 HB THR 32 HB THR 32 -12.907 -4.103 -9.128 187 HG1 THR 32 1HG THR 32 -12.609 -6.880 -9.709 188 1HG2 THR 32 1HG2 THR 32 -10.806 -3.882 -9.822 189 2HG2 THR 32 2HG2 THR 32 -11.220 -5.264 -10.814 190 3HG2 THR 32 3HG2 THR 32 -10.263 -5.492 -9.350 191 H VAL 33 H VAL 33 -11.423 -2.873 -7.218 192 HA VAL 33 HA VAL 33 -13.498 -2.452 -5.091 193 HB VAL 33 HB VAL 33 -11.931 -0.137 -5.156 194 1HG1 VAL 33 1HG1 VAL 33 -12.288 -0.785 -3.044 195 2HG1 VAL 33 2HG1 VAL 33 -10.761 -1.634 -3.205 196 3HG1 VAL 33 3HG1 VAL 33 -12.272 -2.502 -3.420 197 1HG2 VAL 33 1HG2 VAL 33 -10.326 -1.211 -6.686 198 2HG2 VAL 33 2HG2 VAL 33 -10.115 -2.530 -5.551 199 3HG2 VAL 33 3HG2 VAL 33 -9.623 -0.912 -5.108 200 H GLY 34 H GLY 34 -12.019 -0.081 -7.326 201 1HA GLY 34 2HA GLY 34 -14.577 1.221 -7.700 202 2HA GLY 34 1HA GLY 34 -13.076 1.597 -8.547 203 H SER 35 H SER 35 -12.520 -0.864 -9.734 204 HA SER 35 HA SER 35 -14.498 -2.285 -11.021 205 1HB SER 35 2HB SER 35 -14.345 0.520 -12.060 206 2HB SER 35 1HB SER 35 -14.432 -0.753 -13.273 207 HG SER 35 HG SER 35 -16.510 -0.097 -12.620 208 H ASN 36 H ASN 36 -11.527 -0.429 -11.504 209 HA ASN 36 HA ASN 36 -10.566 -2.146 -13.659 210 1HB ASN 36 2HB ASN 36 -9.399 0.059 -11.940 211 2HB ASN 36 1HB ASN 36 -8.319 -0.944 -12.920 212 1HD2 ASN 36 1HD2 ASN 36 -8.407 1.692 -13.600 213 2HD2 ASN 36 2HD2 ASN 36 -9.312 1.892 -15.058 214 H SER 37 H SER 37 -8.933 -1.543 -10.548 215 HA SER 37 HA SER 37 -9.015 -3.904 -9.232 216 1HB SER 37 2HB SER 37 -8.316 -5.500 -10.731 217 2HB SER 37 1HB SER 37 -7.616 -4.299 -11.821 218 HG SER 37 HG SER 37 -6.080 -5.703 -10.759 219 H TYR 38 H TYR 38 -7.877 -3.475 -7.413 220 HA TYR 38 HA TYR 38 -5.503 -1.704 -7.740 221 1HB TYR 38 2HB TYR 38 -7.832 -1.169 -6.314 222 2HB TYR 38 1HB TYR 38 -6.606 -1.480 -5.078 223 HD1 TYR 38 1HD TYR 38 -7.744 0.772 -7.673 224 HD2 TYR 38 2HD TYR 38 -4.392 -0.314 -5.231 225 HE1 TYR 38 1HE TYR 38 -6.641 2.924 -8.224 226 HE2 TYR 38 2HE TYR 38 -3.319 1.857 -5.750 227 HH TYR 38 HH TYR 38 -3.387 3.585 -7.584 228 HA PRO 39 HA PRO 39 -4.172 -4.598 -4.236 229 1HB PRO 39 2HB PRO 39 -5.522 -6.948 -3.916 230 2HB PRO 39 1HB PRO 39 -5.898 -5.461 -3.050 231 1HG PRO 39 2HG PRO 39 -7.392 -6.776 -5.265 232 2HG PRO 39 1HG PRO 39 -7.977 -5.653 -4.031 233 1HD PRO 39 2HD PRO 39 -7.331 -5.071 -6.740 234 2HD PRO 39 1HD PRO 39 -7.774 -3.890 -5.480 235 H HIS 40 H HIS 40 -2.372 -5.013 -5.536 236 HA HIS 40 HA HIS 40 -2.377 -7.689 -6.896 237 1HB HIS 40 2HB HIS 40 -0.489 -5.953 -8.240 238 2HB HIS 40 1HB HIS 40 -1.882 -6.803 -8.900 239 HD1 HIS 40 1HD HIS 40 -4.227 -5.560 -8.598 240 HD2 HIS 40 2HD HIS 40 -0.839 -3.193 -8.286 241 HE1 HIS 40 1HE HIS 40 -4.910 -3.213 -8.985 242 HE2 HIS 40 2HE HIS 40 -2.982 -1.741 -8.296 243 H LYS 41 H LYS 41 0.208 -7.950 -7.525 244 HA LYS 41 HA LYS 41 1.473 -8.124 -4.913 245 1HB LYS 41 2HB LYS 41 2.980 -9.589 -5.855 246 2HB LYS 41 1HB LYS 41 1.616 -9.805 -6.944 247 1HG LYS 41 2HG LYS 41 4.010 -7.988 -7.415 248 2HG LYS 41 1HG LYS 41 3.691 -9.521 -8.205 249 1HD LYS 41 2HD LYS 41 1.727 -7.206 -8.404 250 2HD LYS 41 1HD LYS 41 3.040 -7.453 -9.509 251 1HE LYS 41 2HE LYS 41 1.159 -9.728 -8.924 252 2HE LYS 41 1HE LYS 41 0.743 -8.468 -10.082 253 1HZ LYS 41 1HZ LYS 41 3.193 -10.147 -10.165 254 2HZ LYS 41 2HZ LYS 41 2.831 -8.897 -11.249 255 3HZ LYS 41 3HZ LYS 41 1.854 -10.273 -11.186 256 H TYR 42 H TYR 42 3.654 -7.197 -4.471 257 HA TYR 42 HA TYR 42 4.104 -4.680 -6.018 258 1HB TYR 42 2HB TYR 42 3.361 -3.867 -3.981 259 2HB TYR 42 1HB TYR 42 4.037 -5.193 -3.064 260 HD1 TYR 42 1HD TYR 42 4.617 -1.888 -4.416 261 HD2 TYR 42 2HD TYR 42 6.544 -5.303 -2.709 262 HE1 TYR 42 1HE TYR 42 6.642 -0.537 -3.946 263 HE2 TYR 42 2HE TYR 42 8.550 -3.979 -2.229 264 HH TYR 42 HH TYR 42 8.890 -1.223 -1.852 265 H ASN 43 H ASN 43 6.059 -4.620 -6.974 266 HA ASN 43 HA ASN 43 8.213 -6.432 -5.921 267 1HB ASN 43 2HB ASN 43 9.081 -5.764 -8.430 268 2HB ASN 43 1HB ASN 43 8.076 -7.170 -8.092 269 1HD2 ASN 43 1HD2 ASN 43 5.739 -6.939 -8.483 270 2HD2 ASN 43 2HD2 ASN 43 5.197 -5.733 -9.594 271 H ASN 44 H ASN 44 8.283 -3.523 -8.022 272 HA ASN 44 HA ASN 44 9.260 -1.487 -7.682 273 1HB ASN 44 2HB ASN 44 8.399 -1.811 -5.329 274 2HB ASN 44 1HB ASN 44 9.995 -2.315 -4.828 275 1HD2 ASN 44 1HD2 ASN 44 10.740 -0.188 -7.209 276 2HD2 ASN 44 2HD2 ASN 44 10.697 1.247 -6.301 277 H TYR 45 H TYR 45 11.345 -3.489 -5.516 278 HA TYR 45 HA TYR 45 13.612 -3.934 -5.658 279 1HB TYR 45 2HB TYR 45 12.896 -3.927 -8.627 280 2HB TYR 45 1HB TYR 45 14.454 -4.445 -7.992 281 HD1 TYR 45 1HD TYR 45 10.805 -5.056 -7.465 282 HD2 TYR 45 2HD TYR 45 14.758 -6.677 -7.475 283 HE1 TYR 45 1HE TYR 45 9.885 -7.302 -6.970 284 HE2 TYR 45 2HE TYR 45 13.828 -8.930 -7.016 285 HH TYR 45 HH TYR 45 11.109 -9.965 -7.543 286 H GLU 46 H GLU 46 13.022 -1.264 -5.231 287 HA GLU 46 HA GLU 46 14.658 0.325 -7.132 288 1HB GLU 46 2HB GLU 46 12.903 1.690 -6.630 289 2HB GLU 46 1HB GLU 46 12.504 0.785 -5.174 290 1HG GLU 46 2HG GLU 46 13.101 2.965 -4.540 291 2HG GLU 46 1HG GLU 46 14.410 1.912 -3.990 292 H GLY 47 H GLY 47 14.741 -1.040 -3.920 293 1HA GLY 47 2HA GLY 47 17.445 -1.136 -3.508 294 2HA GLY 47 1HA GLY 47 17.063 0.524 -3.037 295 H PHE 48 H PHE 48 14.293 -0.464 -2.206 296 HA PHE 48 HA PHE 48 15.146 -1.592 0.430 297 1HB PHE 48 2HB PHE 48 12.819 -0.601 1.126 298 2HB PHE 48 1HB PHE 48 14.195 0.485 0.926 299 HD1 PHE 48 1HD PHE 48 11.099 -0.736 -0.661 300 HD2 PHE 48 2HD PHE 48 14.336 2.053 -0.889 301 HE1 PHE 48 1HE PHE 48 9.853 0.563 -2.347 302 HE2 PHE 48 2HE PHE 48 13.102 3.340 -2.603 303 HZ PHE 48 HZ PHE 48 10.874 2.559 -3.370 304 H ASP 49 H ASP 49 14.129 -3.452 1.135 305 HA ASP 49 HA ASP 49 11.992 -4.571 -0.648 306 1HB ASP 49 2HB ASP 49 14.555 -5.732 0.337 307 2HB ASP 49 1HB ASP 49 13.155 -6.799 0.488 308 H PHE 50 H PHE 50 13.048 -3.920 2.618 309 HA PHE 50 HA PHE 50 11.721 -3.840 4.528 310 1HB PHE 50 2HB PHE 50 9.512 -5.363 3.123 311 2HB PHE 50 1HB PHE 50 9.408 -4.219 4.439 312 HD1 PHE 50 1HD PHE 50 8.206 -4.357 1.416 313 HD2 PHE 50 2HD PHE 50 11.147 -2.020 3.499 314 HE1 PHE 50 1HE PHE 50 7.815 -2.476 -0.146 315 HE2 PHE 50 2HE PHE 50 10.774 -0.152 1.926 316 HZ PHE 50 HZ PHE 50 9.100 -0.372 0.111 317 H SER 51 H SER 51 10.634 -5.598 6.047 318 HA SER 51 HA SER 51 12.028 -8.215 5.543 319 1HB SER 51 2HB SER 51 12.035 -8.280 8.161 320 2HB SER 51 1HB SER 51 13.200 -7.246 7.338 321 HG SER 51 HG SER 51 12.076 -5.476 7.883 322 H VAL 52 H VAL 52 9.337 -7.662 4.697 323 HA VAL 52 HA VAL 52 7.667 -9.056 6.751 324 HB VAL 52 HB VAL 52 7.054 -7.455 4.274 325 1HG1 VAL 52 1HG1 VAL 52 5.542 -9.247 4.002 326 2HG1 VAL 52 2HG1 VAL 52 4.607 -8.043 4.860 327 3HG1 VAL 52 3HG1 VAL 52 5.282 -9.419 5.735 328 1HG2 VAL 52 1HG2 VAL 52 6.338 -7.281 7.203 329 2HG2 VAL 52 2HG2 VAL 52 5.551 -6.322 5.968 330 3HG2 VAL 52 3HG2 VAL 52 7.278 -6.132 6.251 331 H SER 53 H SER 53 7.903 -9.231 3.159 332 HA SER 53 HA SER 53 8.536 -12.070 3.244 333 1HB SER 53 2HB SER 53 5.840 -11.496 3.622 334 2HB SER 53 1HB SER 53 5.949 -11.767 1.891 335 HG SER 53 HG SER 53 6.700 -13.806 2.244 336 H SER 54 H SER 54 8.234 -13.001 0.915 337 HA SER 54 HA SER 54 9.561 -11.147 -0.908 338 1HB SER 54 2HB SER 54 8.544 -13.678 -2.079 339 2HB SER 54 1HB SER 54 10.159 -12.998 -2.027 340 HG SER 54 HG SER 54 9.108 -14.876 -0.420 341 HA PRO 55 HA PRO 55 5.507 -11.649 -3.394 342 1HB PRO 55 2HB PRO 55 3.404 -12.908 -2.174 343 2HB PRO 55 1HB PRO 55 4.633 -13.738 -3.122 344 1HG PRO 55 2HG PRO 55 4.299 -13.676 -0.168 345 2HG PRO 55 1HG PRO 55 5.009 -14.931 -1.170 346 1HD PRO 55 2HD PRO 55 6.392 -13.027 0.336 347 2HD PRO 55 1HD PRO 55 7.088 -14.083 -0.881 348 H TYR 56 H TYR 56 5.746 -9.392 -2.715 349 HA TYR 56 HA TYR 56 4.123 -8.401 -0.498 350 1HB TYR 56 2HB TYR 56 5.712 -7.116 -2.697 351 2HB TYR 56 1HB TYR 56 4.762 -6.142 -1.624 352 HD1 TYR 56 1HD TYR 56 5.084 -6.589 0.939 353 HD2 TYR 56 2HD TYR 56 7.895 -7.660 -2.112 354 HE1 TYR 56 1HE TYR 56 6.883 -6.631 2.618 355 HE2 TYR 56 2HE TYR 56 9.701 -7.736 -0.417 356 HH TYR 56 HH TYR 56 9.629 -8.157 2.357 357 H TYR 57 H TYR 57 2.712 -6.327 -1.237 358 HA TYR 57 HA TYR 57 1.261 -6.720 -3.699 359 1HB TYR 57 2HB TYR 57 -0.035 -7.251 -1.041 360 2HB TYR 57 1HB TYR 57 -0.974 -7.023 -2.528 361 HD1 TYR 57 1HD TYR 57 1.161 -9.263 -0.590 362 HD2 TYR 57 2HD TYR 57 -0.778 -8.693 -4.362 363 HE1 TYR 57 1HE TYR 57 1.493 -11.660 -1.140 364 HE2 TYR 57 2HE TYR 57 -0.419 -11.055 -4.937 365 HH TYR 57 HH TYR 57 1.642 -12.967 -3.733 366 H GLU 58 H GLU 58 0.399 -4.801 -4.381 367 HA GLU 58 HA GLU 58 0.867 -2.502 -2.561 368 1HB GLU 58 2HB GLU 58 0.497 -1.155 -4.625 369 2HB GLU 58 1HB GLU 58 1.849 -2.260 -4.704 370 1HG GLU 58 2HG GLU 58 -0.516 -3.655 -5.637 371 2HG GLU 58 1HG GLU 58 -0.416 -2.089 -6.429 372 H TRP 59 H TRP 59 -0.671 -1.140 -1.865 373 HA TRP 59 HA TRP 59 -3.390 -1.108 -2.896 374 1HB TRP 59 2HB TRP 59 -3.755 -3.011 -1.498 375 2HB TRP 59 1HB TRP 59 -2.750 -2.352 -0.200 376 HD1 TRP 59 HD TRP 59 -3.843 -0.709 1.477 377 HE1 TRP 59 1HE TRP 59 -6.255 0.076 1.887 378 HE3 TRP 59 3HE TRP 59 -6.076 -2.491 -2.770 379 HZ2 TRP 59 2HZ TRP 59 -8.790 -0.040 0.550 380 HZ3 TRP 59 3HZ TRP 59 -8.498 -2.135 -3.153 381 HH2 TRP 59 HH TRP 59 -9.861 -0.920 -1.496 382 HA PRO 60 HA PRO 60 -2.593 3.000 -1.355 383 1HB PRO 60 2HB PRO 60 -5.149 3.992 -1.483 384 2HB PRO 60 1HB PRO 60 -4.086 3.783 -2.874 385 1HG PRO 60 2HG PRO 60 -6.355 2.049 -1.994 386 2HG PRO 60 1HG PRO 60 -5.827 2.410 -3.637 387 1HD PRO 60 2HD PRO 60 -5.293 0.084 -2.312 388 2HD PRO 60 1HD PRO 60 -4.331 0.685 -3.599 389 H ILE 61 H ILE 61 -2.640 4.065 0.591 390 HA ILE 61 HA ILE 61 -4.165 2.728 2.801 391 HB ILE 61 HB ILE 61 -1.895 2.614 3.347 392 1HG1 ILE 61 2HG1 ILE 61 -1.601 4.109 5.227 393 2HG1 ILE 61 1HG1 ILE 61 -2.695 5.293 4.543 394 1HG2 ILE 61 1HG2 ILE 61 -0.912 3.907 1.602 395 2HG2 ILE 61 2HG2 ILE 61 -0.391 4.657 3.092 396 3HG2 ILE 61 3HG2 ILE 61 -1.680 5.389 2.148 397 1HD1 ILE 61 1HD1 ILE 61 -4.579 3.786 4.848 398 2HD1 ILE 61 2HD1 ILE 61 -3.716 3.914 6.330 399 3HD1 ILE 61 3HD1 ILE 61 -3.481 2.507 5.308 400 H LEU 62 H LEU 62 -5.982 3.858 3.359 401 HA LEU 62 HA LEU 62 -5.864 6.856 3.208 402 1HB LEU 62 2HB LEU 62 -8.481 5.402 3.253 403 2HB LEU 62 1HB LEU 62 -8.028 6.926 2.475 404 HG LEU 62 HG LEU 62 -7.449 4.108 1.534 405 1HD1 LEU 62 1HD1 LEU 62 -8.426 5.071 -0.565 406 2HD1 LEU 62 2HD1 LEU 62 -8.779 6.547 0.319 407 3HD1 LEU 62 3HD1 LEU 62 -9.547 5.041 0.783 408 1HD2 LEU 62 1HD2 LEU 62 -6.349 5.850 -0.327 409 2HD2 LEU 62 2HD2 LEU 62 -5.462 4.834 0.748 410 3HD2 LEU 62 3HD2 LEU 62 -5.775 6.518 1.177 411 H SER 63 H SER 63 -7.238 7.927 4.873 412 HA SER 63 HA SER 63 -8.138 6.470 7.189 413 1HB SER 63 2HB SER 63 -5.345 6.858 7.090 414 2HB SER 63 1HB SER 63 -5.905 8.028 8.261 415 HG SER 63 HG SER 63 -6.743 6.390 9.450 416 H SER 64 H SER 64 -9.514 8.276 5.868 417 HA SER 64 HA SER 64 -10.201 10.257 7.777 418 1HB SER 64 2HB SER 64 -7.985 11.004 5.977 419 2HB SER 64 1HB SER 64 -9.309 12.159 5.928 420 HG SER 64 HG SER 64 -7.911 12.695 7.595 421 H GLY 65 H GLY 65 -11.451 8.407 5.958 422 1HA GLY 65 2HA GLY 65 -13.625 9.959 5.015 423 2HA GLY 65 1HA GLY 65 -12.546 9.677 3.645 424 H ASP 66 H ASP 66 -11.846 7.295 3.398 425 HA ASP 66 HA ASP 66 -13.456 5.223 4.554 426 1HB ASP 66 2HB ASP 66 -14.875 6.680 2.632 427 2HB ASP 66 1HB ASP 66 -14.251 5.324 1.698 428 H VAL 67 H VAL 67 -13.157 3.124 3.290 429 HA VAL 67 HA VAL 67 -10.371 2.750 2.728 430 HB VAL 67 HB VAL 67 -12.702 0.971 1.899 431 1HG1 VAL 67 1HG1 VAL 67 -10.646 0.312 0.819 432 2HG1 VAL 67 2HG1 VAL 67 -10.952 -0.815 2.128 433 3HG1 VAL 67 3HG1 VAL 67 -9.740 0.454 2.330 434 1HG2 VAL 67 1HG2 VAL 67 -12.834 1.422 4.284 435 2HG2 VAL 67 2HG2 VAL 67 -11.108 1.125 4.478 436 3HG2 VAL 67 3HG2 VAL 67 -12.193 -0.198 4.057 437 H TYR 68 H TYR 68 -9.320 2.382 0.658 438 HA TYR 68 HA TYR 68 -10.057 4.118 -1.423 439 1HB TYR 68 2HB TYR 68 -7.825 3.062 -1.279 440 2HB TYR 68 1HB TYR 68 -8.523 1.512 -1.735 441 HD1 TYR 68 1HD TYR 68 -7.152 4.566 -2.950 442 HD2 TYR 68 2HD TYR 68 -9.843 1.368 -3.948 443 HE1 TYR 68 1HE TYR 68 -6.997 5.178 -5.348 444 HE2 TYR 68 2HE TYR 68 -9.706 1.987 -6.334 445 HH TYR 68 HH TYR 68 -8.929 4.621 -7.537 446 H SER 69 H SER 69 -11.379 3.964 -3.202 447 HA SER 69 HA SER 69 -12.529 1.389 -4.016 448 1HB SER 69 2HB SER 69 -14.094 1.718 -2.279 449 2HB SER 69 1HB SER 69 -14.145 3.466 -2.540 450 HG SER 69 HG SER 69 -15.332 1.409 -4.059 451 H GLY 70 H GLY 70 -11.088 3.903 -5.087 452 1HA GLY 70 2HA GLY 70 -11.405 4.108 -7.612 453 2HA GLY 70 1HA GLY 70 -13.043 4.625 -7.226 454 H GLY 71 H GLY 71 -11.064 6.210 -8.612 455 1HA GLY 71 2HA GLY 71 -11.318 8.729 -8.052 456 2HA GLY 71 1HA GLY 71 -10.430 8.336 -6.581 457 H SER 72 H SER 72 -8.406 9.179 -6.862 458 HA SER 72 HA SER 72 -7.109 8.778 -9.510 459 1HB SER 72 2HB SER 72 -7.020 10.920 -7.499 460 2HB SER 72 1HB SER 72 -5.439 10.478 -8.150 461 HG SER 72 HG SER 72 -7.702 11.451 -9.509 462 HA PRO 73 HA PRO 73 -4.583 5.789 -7.350 463 1HB PRO 73 2HB PRO 73 -3.000 5.129 -9.504 464 2HB PRO 73 1HB PRO 73 -4.649 4.559 -9.303 465 1HG PRO 73 2HG PRO 73 -3.631 6.662 -11.149 466 2HG PRO 73 1HG PRO 73 -5.041 5.601 -11.319 467 1HD PRO 73 2HD PRO 73 -5.077 8.327 -10.510 468 2HD PRO 73 1HD PRO 73 -6.421 7.169 -10.420 469 H GLY 74 H GLY 74 -1.974 5.328 -7.576 470 1HA GLY 74 2HA GLY 74 0.174 6.173 -7.245 471 2HA GLY 74 1HA GLY 74 -0.352 7.727 -7.889 472 H ALA 75 H ALA 75 1.021 8.529 -6.007 473 HA ALA 75 HA ALA 75 0.976 9.718 -4.013 474 1HB ALA 75 1HB ALA 75 -1.706 8.568 -3.255 475 2HB ALA 75 2HB ALA 75 -1.598 9.726 -4.581 476 3HB ALA 75 3HB ALA 75 -1.036 10.173 -2.980 477 H ASP 76 H ASP 76 -0.316 8.709 -1.562 478 HA ASP 76 HA ASP 76 1.757 7.015 -0.607 479 1HB ASP 76 2HB ASP 76 -1.026 7.232 0.602 480 2HB ASP 76 1HB ASP 76 0.503 6.912 1.435 481 H ARG 77 H ARG 77 1.437 4.765 0.251 482 HA ARG 77 HA ARG 77 -0.715 3.092 -0.459 483 1HB ARG 77 2HB ARG 77 0.392 1.911 -2.451 484 2HB ARG 77 1HB ARG 77 -0.280 3.505 -2.764 485 1HG ARG 77 2HG ARG 77 1.813 4.559 -2.797 486 2HG ARG 77 1HG ARG 77 2.590 3.221 -2.021 487 1HD ARG 77 2HD ARG 77 3.020 3.441 -4.458 488 2HD ARG 77 1HD ARG 77 2.430 1.857 -3.967 489 HE ARG 77 HE ARG 77 0.761 4.006 -5.128 490 1HH1 ARG 77 1HH1 ARG 77 1.372 0.788 -5.900 491 2HH1 ARG 77 2HH1 ARG 77 -0.260 0.257 -5.701 492 1HH2 ARG 77 1HH2 ARG 77 -1.362 3.229 -4.299 493 2HH2 ARG 77 2HH2 ARG 77 -1.762 1.592 -4.672 494 H VAL 78 H VAL 78 -0.163 2.046 1.494 495 HA VAL 78 HA VAL 78 2.572 1.193 1.985 496 HB VAL 78 HB VAL 78 0.738 1.798 3.726 497 1HG1 VAL 78 1HG1 VAL 78 -0.708 0.071 4.445 498 2HG1 VAL 78 2HG1 VAL 78 0.141 -1.159 3.525 499 3HG1 VAL 78 3HG1 VAL 78 -0.855 0.043 2.698 500 1HG2 VAL 78 1HG2 VAL 78 1.800 0.385 5.357 501 2HG2 VAL 78 2HG2 VAL 78 2.984 0.945 4.247 502 3HG2 VAL 78 3HG2 VAL 78 2.405 -0.716 4.121 503 H VAL 79 H VAL 79 3.445 -0.848 1.760 504 HA VAL 79 HA VAL 79 1.933 -2.767 0.060 505 HB VAL 79 HB VAL 79 4.842 -2.424 0.821 506 1HG1 VAL 79 1HG1 VAL 79 4.342 -4.856 0.930 507 2HG1 VAL 79 2HG1 VAL 79 5.347 -4.468 -0.426 508 3HG1 VAL 79 3HG1 VAL 79 3.635 -4.765 -0.657 509 1HG2 VAL 79 1HG2 VAL 79 5.170 -2.009 -1.429 510 2HG2 VAL 79 2HG2 VAL 79 3.624 -1.234 -1.122 511 3HG2 VAL 79 3HG2 VAL 79 3.664 -2.790 -1.916 512 H PHE 80 H PHE 80 2.258 -5.130 0.634 513 HA PHE 80 HA PHE 80 2.657 -5.736 3.455 514 1HB PHE 80 2HB PHE 80 0.281 -6.518 3.742 515 2HB PHE 80 1HB PHE 80 0.469 -4.786 3.508 516 HD1 PHE 80 1HD PHE 80 0.258 -3.868 1.061 517 HD2 PHE 80 2HD PHE 80 -1.206 -7.690 2.352 518 HE1 PHE 80 1HE PHE 80 -1.220 -3.947 -0.893 519 HE2 PHE 80 2HE PHE 80 -2.716 -7.759 0.385 520 HZ PHE 80 HZ PHE 80 -2.720 -5.886 -1.243 521 H ASN 81 H ASN 81 1.548 -8.190 3.657 522 HA ASN 81 HA ASN 81 2.505 -9.652 1.215 523 1HB ASN 81 2HB ASN 81 4.165 -10.027 2.853 524 2HB ASN 81 1HB ASN 81 2.992 -10.214 4.157 525 1HD2 ASN 81 1HD2 ASN 81 4.097 -11.743 1.109 526 2HD2 ASN 81 2HD2 ASN 81 3.663 -13.336 1.619 527 H GLU 82 H GLU 82 1.051 -10.891 4.191 528 HA GLU 82 HA GLU 82 -1.539 -11.285 2.886 529 1HB GLU 82 2HB GLU 82 0.333 -13.589 3.512 530 2HB GLU 82 1HB GLU 82 -1.411 -13.807 3.287 531 1HG GLU 82 2HG GLU 82 -1.219 -12.761 1.028 532 2HG GLU 82 1HG GLU 82 0.533 -12.698 1.257 533 H ASN 83 H ASN 83 -0.014 -10.357 5.528 534 HA ASN 83 HA ASN 83 -2.172 -11.387 7.288 535 1HB ASN 83 2HB ASN 83 0.542 -12.212 7.463 536 2HB ASN 83 1HB ASN 83 0.331 -11.031 8.755 537 1HD2 ASN 83 1HD2 ASN 83 -2.329 -11.470 9.511 538 2HD2 ASN 83 2HD2 ASN 83 -2.451 -13.084 10.105 539 H ASN 84 H ASN 84 -0.908 -8.747 5.888 540 HA ASN 84 HA ASN 84 -1.159 -6.516 6.319 541 1HB ASN 84 2HB ASN 84 -2.969 -5.962 7.556 542 2HB ASN 84 1HB ASN 84 -3.205 -7.686 7.796 543 1HD2 ASN 84 1HD2 ASN 84 -3.788 -5.347 9.611 544 2HD2 ASN 84 2HD2 ASN 84 -2.952 -5.730 11.074 545 H GLN 85 H GLN 85 1.017 -8.351 7.502 546 HA GLN 85 HA GLN 85 1.994 -7.309 9.938 547 1HB GLN 85 2HB GLN 85 4.010 -7.899 7.786 548 2HB GLN 85 1HB GLN 85 3.964 -8.419 9.478 549 1HG GLN 85 2HG GLN 85 1.798 -9.745 8.578 550 2HG GLN 85 1HG GLN 85 2.717 -9.642 7.065 551 1HE2 GLN 85 1HE2 GLN 85 2.212 -11.615 9.658 552 2HE2 GLN 85 2HE2 GLN 85 3.749 -12.398 9.693 553 H LEU 86 H LEU 86 2.082 -6.058 6.655 554 HA LEU 86 HA LEU 86 2.247 -3.846 6.046 555 1HB LEU 86 2HB LEU 86 1.954 -3.318 8.597 556 2HB LEU 86 1HB LEU 86 3.715 -3.133 8.610 557 HG LEU 86 HG LEU 86 2.632 -0.967 8.228 558 1HD1 LEU 86 1HD1 LEU 86 4.815 -1.720 7.004 559 2HD1 LEU 86 2HD1 LEU 86 3.967 -0.291 6.443 560 3HD1 LEU 86 3HD1 LEU 86 3.772 -1.793 5.576 561 1HD2 LEU 86 1HD2 LEU 86 0.647 -2.195 7.057 562 2HD2 LEU 86 2HD2 LEU 86 1.573 -1.959 5.584 563 3HD2 LEU 86 3HD2 LEU 86 1.078 -0.584 6.570 564 H ALA 87 H ALA 87 3.688 -4.081 4.425 565 HA ALA 87 HA ALA 87 6.452 -4.876 4.782 566 1HB ALA 87 1HB ALA 87 6.655 -4.408 2.426 567 2HB ALA 87 2HB ALA 87 5.166 -3.517 2.446 568 3HB ALA 87 3HB ALA 87 5.152 -5.251 2.703 569 H GLY 88 H GLY 88 4.924 -1.798 3.868 570 1HA GLY 88 2HA GLY 88 6.424 -0.102 5.519 571 2HA GLY 88 1HA GLY 88 7.396 -0.289 4.055 572 H VAL 89 H VAL 89 6.490 2.236 4.539 573 HA VAL 89 HA VAL 89 3.998 2.537 2.901 574 HB VAL 89 HB VAL 89 5.471 4.450 4.701 575 1HG1 VAL 89 1HG1 VAL 89 3.073 4.873 2.908 576 2HG1 VAL 89 2HG1 VAL 89 4.610 5.732 2.839 577 3HG1 VAL 89 3HG1 VAL 89 3.533 5.979 4.201 578 1HG2 VAL 89 1HG2 VAL 89 4.103 2.826 5.901 579 2HG2 VAL 89 2HG2 VAL 89 2.773 3.084 4.806 580 3HG2 VAL 89 3HG2 VAL 89 3.231 4.343 5.896 581 H ILE 90 H ILE 90 4.223 3.125 0.808 582 HA ILE 90 HA ILE 90 6.714 4.599 0.000 583 HB ILE 90 HB ILE 90 6.691 3.373 -2.076 584 1HG1 ILE 90 2HG1 ILE 90 4.055 2.478 -1.045 585 2HG1 ILE 90 1HG1 ILE 90 4.544 2.745 -2.698 586 1HG2 ILE 90 1HG2 ILE 90 6.434 1.428 0.225 587 2HG2 ILE 90 2HG2 ILE 90 7.836 2.454 -0.054 588 3HG2 ILE 90 3HG2 ILE 90 7.414 1.230 -1.233 589 1HD1 ILE 90 1HD1 ILE 90 5.868 0.603 -2.509 590 2HD1 ILE 90 2HD1 ILE 90 4.128 0.418 -2.457 591 3HD1 ILE 90 3HD1 ILE 90 5.061 0.326 -0.970 592 H THR 91 H THR 91 6.370 6.138 -1.735 593 HA THR 91 HA THR 91 3.486 6.872 -2.062 594 HB THR 91 HB THR 91 4.709 8.544 -0.742 595 HG1 THR 91 1HG THR 91 4.457 9.705 -3.311 596 1HG2 THR 91 1HG2 THR 91 6.561 8.664 -3.147 597 2HG2 THR 91 2HG2 THR 91 6.974 8.090 -1.532 598 3HG2 THR 91 3HG2 THR 91 6.571 9.777 -1.788 599 H HIS 92 H HIS 92 3.044 8.084 -4.128 600 HA HIS 92 HA HIS 92 4.771 7.084 -6.346 601 1HB HIS 92 2HB HIS 92 1.927 6.767 -5.830 602 2HB HIS 92 1HB HIS 92 2.192 7.438 -7.428 603 HD1 HIS 92 1HD HIS 92 1.909 5.439 -8.896 604 HD2 HIS 92 2HD HIS 92 4.354 4.651 -5.611 605 HE1 HIS 92 1HE HIS 92 2.812 3.102 -9.224 606 HE2 HIS 92 2HE HIS 92 4.640 2.963 -7.537 607 H THR 93 H THR 93 5.753 9.302 -5.734 608 HA THR 93 HA THR 93 4.932 11.154 -7.801 609 HB THR 93 HB THR 93 4.587 12.193 -4.955 610 HG1 THR 93 1HG THR 93 2.813 11.021 -5.008 611 1HG2 THR 93 1HG2 THR 93 3.393 13.999 -6.124 612 2HG2 THR 93 2HG2 THR 93 3.726 13.228 -7.674 613 3HG2 THR 93 3HG2 THR 93 5.054 13.861 -6.698 614 H GLY 94 H GLY 94 6.816 12.135 -8.424 615 1HA GLY 94 2HA GLY 94 8.746 13.524 -7.857 616 2HA GLY 94 1HA GLY 94 8.924 12.653 -6.340 617 H ALA 95 H ALA 95 8.293 10.083 -8.023 618 HA ALA 95 HA ALA 95 11.123 9.730 -8.930 619 1HB ALA 95 1HB ALA 95 10.463 7.255 -8.786 620 2HB ALA 95 2HB ALA 95 9.038 7.820 -7.936 621 3HB ALA 95 3HB ALA 95 10.620 8.141 -7.273 622 H SER 96 H SER 96 10.914 10.533 -11.072 623 HA SER 96 HA SER 96 10.157 10.581 -13.292 624 1HB SER 96 2HB SER 96 10.339 7.622 -12.646 625 2HB SER 96 1HB SER 96 10.106 8.230 -14.291 626 HG SER 96 HG SER 96 12.351 7.853 -13.590 627 H GLY 97 H GLY 97 8.008 11.225 -11.793 628 1HA GLY 97 2HA GLY 97 5.701 11.353 -12.590 629 2HA GLY 97 1HA GLY 97 5.776 9.659 -13.065 630 H ASN 98 H ASN 98 6.215 8.101 -11.180 631 HA ASN 98 HA ASN 98 5.224 9.127 -8.605 632 1HB ASN 98 2HB ASN 98 3.859 6.698 -8.927 633 2HB ASN 98 1HB ASN 98 3.145 8.277 -8.948 634 1HD2 ASN 98 1HD2 ASN 98 2.134 8.886 -10.813 635 2HD2 ASN 98 2HD2 ASN 98 2.356 8.080 -12.324 636 H ASN 99 H ASN 99 5.471 5.758 -9.738 637 HA ASN 99 HA ASN 99 6.756 4.024 -8.944 638 1HB ASN 99 2HB ASN 99 8.527 6.027 -9.734 639 2HB ASN 99 1HB ASN 99 9.045 5.688 -8.081 640 1HD2 ASN 99 1HD2 ASN 99 9.545 4.702 -11.208 641 2HD2 ASN 99 2HD2 ASN 99 10.105 3.103 -10.866 642 H PHE 100 H PHE 100 7.715 3.126 -6.906 643 HA PHE 100 HA PHE 100 6.468 4.480 -4.569 644 1HB PHE 100 2HB PHE 100 7.678 1.843 -4.066 645 2HB PHE 100 1HB PHE 100 6.106 2.474 -3.716 646 HD1 PHE 100 1HD PHE 100 4.219 2.090 -5.069 647 HD2 PHE 100 2HD PHE 100 8.095 0.957 -6.376 648 HE1 PHE 100 1HE PHE 100 3.193 0.789 -6.905 649 HE2 PHE 100 2HE PHE 100 7.110 -0.379 -8.207 650 HZ PHE 100 HZ PHE 100 4.646 -0.453 -8.476 651 H VAL 101 H VAL 101 7.656 5.048 -2.752 652 HA VAL 101 HA VAL 101 10.503 4.407 -2.553 653 HB VAL 101 HB VAL 101 10.741 7.120 -2.230 654 1HG1 VAL 101 1HG1 VAL 101 11.060 5.673 -4.876 655 2HG1 VAL 101 2HG1 VAL 101 12.200 5.549 -3.536 656 3HG1 VAL 101 3HG1 VAL 101 11.927 7.101 -4.322 657 1HG2 VAL 101 1HG2 VAL 101 8.966 6.784 -4.669 658 2HG2 VAL 101 2HG2 VAL 101 9.576 8.268 -3.952 659 3HG2 VAL 101 3HG2 VAL 101 8.354 7.332 -3.108 660 H GLU 102 H GLU 102 10.977 4.201 -0.438 661 HA GLU 102 HA GLU 102 9.205 4.196 1.631 662 1HB GLU 102 2HB GLU 102 11.251 4.978 3.116 663 2HB GLU 102 1HB GLU 102 11.337 3.454 2.223 664 1HG GLU 102 2HG GLU 102 12.685 4.347 0.522 665 2HG GLU 102 1HG GLU 102 12.316 6.022 0.974 666 H CYS 103 H CYS 103 8.144 5.671 2.929 667 HA CYS 103 HA CYS 103 8.216 8.483 2.065 668 1HB CYS 103 2HB CYS 103 6.355 6.740 3.484 669 2HB CYS 103 1HB CYS 103 6.585 8.241 4.386 670 H THR 104 H THR 104 9.508 9.991 3.001 671 HA THR 104 HA THR 104 10.752 9.320 5.646 672 HB THR 104 HB THR 104 12.554 10.744 5.040 673 HG1 THR 104 1HG THR 104 10.905 11.699 2.896 674 1HG2 THR 104 1HG2 THR 104 11.702 9.550 2.397 675 2HG2 THR 104 2HG2 THR 104 12.339 8.573 3.725 676 3HG2 THR 104 3HG2 THR 104 13.338 9.824 2.990 Start of MODEL 16 1 1H ALA 1 1HT ALA 1 0.274 11.791 15.537 2 2H ALA 1 2HT ALA 1 0.424 11.256 17.152 3 3H ALA 1 3HT ALA 1 -0.514 10.350 16.032 4 HA ALA 1 HA ALA 1 2.416 10.814 15.881 5 1HB ALA 1 1HB ALA 1 1.783 9.337 17.740 6 2HB ALA 1 2HB ALA 1 2.572 8.420 16.459 7 3HB ALA 1 3HB ALA 1 0.817 8.351 16.644 8 H CYS 2 H CYS 2 3.339 9.178 14.272 9 HA CYS 2 HA CYS 2 1.795 7.820 12.391 10 1HB CYS 2 2HB CYS 2 2.136 9.637 10.444 11 2HB CYS 2 1HB CYS 2 0.740 9.664 11.518 12 H ASP 3 H ASP 3 3.409 6.380 12.006 13 HA ASP 3 HA ASP 3 6.174 7.290 11.672 14 1HB ASP 3 2HB ASP 3 5.443 5.058 12.719 15 2HB ASP 3 1HB ASP 3 5.087 4.502 11.079 16 H TYR 4 H TYR 4 3.416 6.893 9.657 17 HA TYR 4 HA TYR 4 5.148 6.856 7.226 18 1HB TYR 4 2HB TYR 4 2.263 6.006 7.674 19 2HB TYR 4 1HB TYR 4 2.996 6.146 6.071 20 HD1 TYR 4 1HD TYR 4 1.933 3.667 7.861 21 HD2 TYR 4 2HD TYR 4 5.773 5.160 6.659 22 HE1 TYR 4 1HE TYR 4 2.884 1.394 8.085 23 HE2 TYR 4 2HE TYR 4 6.730 2.904 6.896 24 HH TYR 4 HH TYR 4 5.787 0.635 8.509 25 H THR 5 H THR 5 5.240 8.694 6.083 26 HA THR 5 HA THR 5 2.908 10.504 6.057 27 HB THR 5 HB THR 5 5.559 11.768 6.800 28 HG1 THR 5 1HG THR 5 5.428 10.382 8.471 29 1HG2 THR 5 1HG2 THR 5 2.763 12.436 7.636 30 2HG2 THR 5 2HG2 THR 5 3.414 13.009 6.114 31 3HG2 THR 5 3HG2 THR 5 4.165 13.498 7.633 32 H CYS 6 H CYS 6 2.702 10.703 3.879 33 HA CYS 6 HA CYS 6 5.151 10.899 2.182 34 1HB CYS 6 2HB CYS 6 2.251 10.807 1.315 35 2HB CYS 6 1HB CYS 6 3.694 10.471 0.339 36 H GLY 7 H GLY 7 3.811 13.004 3.995 37 1HA GLY 7 2HA GLY 7 4.505 15.293 2.470 38 2HA GLY 7 1HA GLY 7 2.749 15.094 2.444 39 H SER 8 H SER 8 2.306 16.902 3.774 40 HA SER 8 HA SER 8 3.597 17.064 6.438 41 1HB SER 8 2HB SER 8 1.818 19.048 6.570 42 2HB SER 8 1HB SER 8 3.282 19.206 5.598 43 HG SER 8 HG SER 8 1.559 19.776 4.312 44 H ASN 9 H ASN 9 1.480 14.945 5.411 45 HA ASN 9 HA ASN 9 -0.752 15.369 7.230 46 1HB ASN 9 2HB ASN 9 0.132 13.115 5.405 47 2HB ASN 9 1HB ASN 9 -1.252 12.919 6.477 48 1HD2 ASN 9 1HD2 ASN 9 -3.204 13.604 5.683 49 2HD2 ASN 9 2HD2 ASN 9 -3.378 14.683 4.345 50 H CYS 10 H CYS 10 -1.160 12.905 8.390 51 HA CYS 10 HA CYS 10 1.284 12.151 9.825 52 1HB CYS 10 2HB CYS 10 0.321 14.061 11.137 53 2HB CYS 10 1HB CYS 10 -1.202 13.172 11.279 54 H TYR 11 H TYR 11 0.669 10.259 8.444 55 HA TYR 11 HA TYR 11 -1.783 8.821 9.158 56 1HB TYR 11 2HB TYR 11 0.440 8.495 7.199 57 2HB TYR 11 1HB TYR 11 -0.299 6.990 7.748 58 HD1 TYR 11 1HD TYR 11 -2.421 6.323 6.983 59 HD2 TYR 11 2HD TYR 11 -1.058 10.340 6.308 60 HE1 TYR 11 1HE TYR 11 -4.359 6.742 5.489 61 HE2 TYR 11 2HE TYR 11 -2.997 10.749 4.816 62 HH TYR 11 HH TYR 11 -4.571 9.173 3.329 63 H SER 12 H SER 12 -1.981 7.451 10.834 64 HA SER 12 HA SER 12 0.378 6.756 12.439 65 1HB SER 12 2HB SER 12 -2.180 5.488 13.165 66 2HB SER 12 1HB SER 12 -1.090 6.484 14.122 67 HG SER 12 HG SER 12 -3.157 7.465 13.668 68 H SER 13 H SER 13 1.522 4.897 12.154 69 HA SER 13 HA SER 13 1.100 3.032 10.138 70 1HB SER 13 2HB SER 13 3.157 2.993 11.412 71 2HB SER 13 1HB SER 13 2.281 2.582 12.891 72 HG SER 13 HG SER 13 2.795 0.981 10.629 73 H SER 14 H SER 14 -0.579 3.321 13.210 74 HA SER 14 HA SER 14 -1.775 0.678 13.107 75 1HB SER 14 2HB SER 14 -1.448 2.109 15.195 76 2HB SER 14 1HB SER 14 -2.805 3.095 14.639 77 HG SER 14 HG SER 14 -2.777 0.394 15.457 78 H ASP 15 H ASP 15 -2.838 3.976 12.258 79 HA ASP 15 HA ASP 15 -5.473 3.176 11.439 80 1HB ASP 15 2HB ASP 15 -3.934 5.632 11.529 81 2HB ASP 15 1HB ASP 15 -4.607 5.469 9.905 82 H VAL 16 H VAL 16 -2.328 3.080 9.984 83 HA VAL 16 HA VAL 16 -3.268 2.755 7.276 84 HB VAL 16 HB VAL 16 -0.636 1.693 8.324 85 1HG1 VAL 16 1HG1 VAL 16 -0.610 3.166 5.816 86 2HG1 VAL 16 2HG1 VAL 16 -1.834 1.900 5.760 87 3HG1 VAL 16 3HG1 VAL 16 -0.167 1.499 6.145 88 1HG2 VAL 16 1HG2 VAL 16 -1.594 4.522 8.158 89 2HG2 VAL 16 2HG2 VAL 16 0.019 4.192 7.550 90 3HG2 VAL 16 3HG2 VAL 16 -0.394 3.776 9.173 91 H SER 17 H SER 17 -2.597 0.643 10.008 92 HA SER 17 HA SER 17 -2.629 -1.842 8.649 93 1HB SER 17 2HB SER 17 -2.551 -2.751 10.747 94 2HB SER 17 1HB SER 17 -2.302 -1.083 11.271 95 HG SER 17 HG SER 17 -4.083 -2.297 12.301 96 H THR 18 H THR 18 -5.273 0.112 10.025 97 HA THR 18 HA THR 18 -7.363 -1.760 9.497 98 HB THR 18 HB THR 18 -8.526 0.787 9.129 99 HG1 THR 18 1HG THR 18 -6.631 1.133 11.191 100 1HG2 THR 18 1HG2 THR 18 -9.190 0.558 11.466 101 2HG2 THR 18 2HG2 THR 18 -7.957 -0.675 11.719 102 3HG2 THR 18 3HG2 THR 18 -9.314 -0.994 10.636 103 H ALA 19 H ALA 19 -6.058 0.914 7.531 104 HA ALA 19 HA ALA 19 -7.751 0.256 5.245 105 1HB ALA 19 1HB ALA 19 -5.232 1.754 4.844 106 2HB ALA 19 2HB ALA 19 -6.415 2.484 5.952 107 3HB ALA 19 3HB ALA 19 -6.860 2.128 4.283 108 H GLN 20 H GLN 20 -4.934 -1.114 6.590 109 HA GLN 20 HA GLN 20 -3.830 -2.037 4.081 110 1HB GLN 20 2HB GLN 20 -2.651 -1.635 6.470 111 2HB GLN 20 1HB GLN 20 -3.081 -3.294 6.701 112 1HG GLN 20 2HG GLN 20 -1.070 -2.083 4.952 113 2HG GLN 20 1HG GLN 20 -1.059 -3.678 5.706 114 1HE2 GLN 20 1HE2 GLN 20 -2.335 -5.372 4.600 115 2HE2 GLN 20 2HE2 GLN 20 -2.828 -5.183 2.965 116 H ALA 21 H ALA 21 -6.002 -3.140 6.603 117 HA ALA 21 HA ALA 21 -6.103 -5.899 5.643 118 1HB ALA 21 1HB ALA 21 -7.918 -4.381 7.537 119 2HB ALA 21 2HB ALA 21 -6.547 -5.389 7.998 120 3HB ALA 21 3HB ALA 21 -7.965 -6.123 7.250 121 H ALA 22 H ALA 22 -7.508 -2.863 4.804 122 HA ALA 22 HA ALA 22 -9.997 -3.833 3.711 123 1HB ALA 22 1HB ALA 22 -10.048 -1.642 2.555 124 2HB ALA 22 2HB ALA 22 -8.377 -1.349 3.047 125 3HB ALA 22 3HB ALA 22 -9.648 -1.461 4.263 126 H GLY 23 H GLY 23 -6.790 -3.049 2.312 127 1HA GLY 23 2HA GLY 23 -7.501 -3.977 -0.354 128 2HA GLY 23 1HA GLY 23 -5.878 -3.651 0.242 129 H TYR 24 H TYR 24 -6.112 -5.408 2.559 130 HA TYR 24 HA TYR 24 -5.177 -7.828 1.316 131 1HB TYR 24 2HB TYR 24 -4.329 -7.267 3.507 132 2HB TYR 24 1HB TYR 24 -5.968 -7.161 4.161 133 HD1 TYR 24 1HD TYR 24 -6.192 -8.869 5.743 134 HD2 TYR 24 2HD TYR 24 -4.372 -9.720 1.944 135 HE1 TYR 24 1HE TYR 24 -6.124 -11.281 6.315 136 HE2 TYR 24 2HE TYR 24 -4.309 -12.128 2.510 137 HH TYR 24 HH TYR 24 -5.941 -13.646 4.391 138 H GLN 25 H GLN 25 -8.293 -6.768 2.598 139 HA GLN 25 HA GLN 25 -9.492 -9.409 2.538 140 1HB GLN 25 2HB GLN 25 -10.244 -7.184 3.772 141 2HB GLN 25 1HB GLN 25 -11.124 -6.869 2.273 142 1HG GLN 25 2HG GLN 25 -12.478 -8.751 2.513 143 2HG GLN 25 1HG GLN 25 -11.363 -9.553 3.634 144 1HE2 GLN 25 1HE2 GLN 25 -12.520 -9.698 5.549 145 2HE2 GLN 25 2HE2 GLN 25 -13.300 -8.354 6.302 146 H LEU 26 H LEU 26 -9.595 -6.553 0.387 147 HA LEU 26 HA LEU 26 -11.202 -7.823 -1.624 148 1HB LEU 26 2HB LEU 26 -10.298 -5.260 -1.225 149 2HB LEU 26 1HB LEU 26 -9.173 -5.787 -2.467 150 HG LEU 26 HG LEU 26 -11.171 -6.533 -3.853 151 1HD1 LEU 26 1HD1 LEU 26 -12.638 -5.033 -1.656 152 2HD1 LEU 26 2HD1 LEU 26 -12.815 -6.740 -2.053 153 3HD1 LEU 26 3HD1 LEU 26 -13.351 -5.518 -3.193 154 1HD2 LEU 26 1HD2 LEU 26 -10.364 -4.543 -4.653 155 2HD2 LEU 26 2HD2 LEU 26 -10.502 -3.716 -3.109 156 3HD2 LEU 26 3HD2 LEU 26 -11.928 -3.987 -4.087 157 H HIS 27 H HIS 27 -7.873 -8.072 -0.739 158 HA HIS 27 HA HIS 27 -7.021 -9.180 -3.317 159 1HB HIS 27 2HB HIS 27 -5.366 -7.929 -2.090 160 2HB HIS 27 1HB HIS 27 -5.663 -8.868 -0.620 161 HD1 HIS 27 1HD HIS 27 -5.057 -10.098 -4.180 162 HD2 HIS 27 2HD HIS 27 -3.399 -10.407 -0.365 163 HE1 HIS 27 1HE HIS 27 -3.153 -11.749 -4.360 164 HE2 HIS 27 2HE HIS 27 -2.431 -12.194 -1.982 165 H GLU 28 H GLU 28 -8.260 -10.335 -0.251 166 HA GLU 28 HA GLU 28 -7.396 -13.106 -0.768 167 1HB GLU 28 2HB GLU 28 -7.404 -12.331 1.537 168 2HB GLU 28 1HB GLU 28 -9.107 -11.869 1.415 169 1HG GLU 28 2HG GLU 28 -9.800 -14.161 1.155 170 2HG GLU 28 1HG GLU 28 -8.118 -14.709 1.026 171 H ASP 29 H ASP 29 -9.994 -11.068 -1.658 172 HA ASP 29 HA ASP 29 -11.773 -13.423 -2.084 173 1HB ASP 29 2HB ASP 29 -12.405 -11.073 -0.874 174 2HB ASP 29 1HB ASP 29 -12.777 -10.634 -2.544 175 H GLY 30 H GLY 30 -9.644 -11.315 -3.711 176 1HA GLY 30 2HA GLY 30 -9.105 -11.230 -5.975 177 2HA GLY 30 1HA GLY 30 -10.292 -12.500 -6.272 178 H GLU 31 H GLU 31 -11.509 -9.784 -4.528 179 HA GLU 31 HA GLU 31 -13.220 -9.105 -6.797 180 1HB GLU 31 2HB GLU 31 -13.663 -9.096 -4.133 181 2HB GLU 31 1HB GLU 31 -13.176 -7.425 -4.316 182 1HG GLU 31 2HG GLU 31 -15.213 -6.915 -5.037 183 2HG GLU 31 1HG GLU 31 -14.937 -7.894 -6.482 184 H THR 32 H THR 32 -13.432 -6.253 -6.227 185 HA THR 32 HA THR 32 -10.785 -5.100 -6.570 186 HB THR 32 HB THR 32 -11.932 -4.034 -8.840 187 HG1 THR 32 1HG THR 32 -13.087 -5.579 -9.865 188 1HG2 THR 32 1HG2 THR 32 -10.261 -5.134 -9.975 189 2HG2 THR 32 2HG2 THR 32 -10.496 -6.638 -9.098 190 3HG2 THR 32 3HG2 THR 32 -9.669 -5.297 -8.325 191 H VAL 33 H VAL 33 -11.020 -2.670 -6.901 192 HA VAL 33 HA VAL 33 -13.460 -1.740 -5.406 193 HB VAL 33 HB VAL 33 -11.669 0.330 -5.166 194 1HG1 VAL 33 1HG1 VAL 33 -11.295 -0.549 -2.908 195 2HG1 VAL 33 2HG1 VAL 33 -11.876 -2.096 -3.382 196 3HG1 VAL 33 3HG1 VAL 33 -12.965 -0.752 -3.363 197 1HG2 VAL 33 1HG2 VAL 33 -9.919 -1.052 -6.317 198 2HG2 VAL 33 2HG2 VAL 33 -10.009 -2.207 -4.996 199 3HG2 VAL 33 3HG2 VAL 33 -9.485 -0.558 -4.693 200 H GLY 34 H GLY 34 -11.045 -0.117 -7.521 201 1HA GLY 34 2HA GLY 34 -13.210 1.464 -8.724 202 2HA GLY 34 1HA GLY 34 -11.481 1.631 -9.025 203 H SER 35 H SER 35 -12.609 -1.629 -9.206 204 HA SER 35 HA SER 35 -12.928 -3.052 -10.981 205 1HB SER 35 2HB SER 35 -14.108 -0.499 -11.898 206 2HB SER 35 1HB SER 35 -13.523 -1.495 -13.219 207 HG SER 35 HG SER 35 -15.652 -2.008 -12.650 208 H ASN 36 H ASN 36 -10.358 -1.416 -10.442 209 HA ASN 36 HA ASN 36 -9.074 -1.944 -13.092 210 1HB ASN 36 2HB ASN 36 -8.887 0.349 -11.166 211 2HB ASN 36 1HB ASN 36 -7.369 -0.183 -11.899 212 1HD2 ASN 36 1HD2 ASN 36 -8.431 2.344 -12.510 213 2HD2 ASN 36 2HD2 ASN 36 -8.940 2.319 -14.160 214 H SER 37 H SER 37 -9.440 -3.247 -10.130 215 HA SER 37 HA SER 37 -8.161 -4.817 -8.982 216 1HB SER 37 2HB SER 37 -7.365 -5.167 -11.548 217 2HB SER 37 1HB SER 37 -5.835 -4.665 -10.833 218 HG SER 37 HG SER 37 -6.068 -6.890 -10.638 219 H TYR 38 H TYR 38 -8.055 -2.857 -7.510 220 HA TYR 38 HA TYR 38 -5.636 -1.304 -7.590 221 1HB TYR 38 2HB TYR 38 -8.014 -1.059 -6.264 222 2HB TYR 38 1HB TYR 38 -6.943 -1.445 -4.921 223 HD1 TYR 38 1HD TYR 38 -8.403 1.255 -5.936 224 HD2 TYR 38 2HD TYR 38 -4.397 -0.285 -6.024 225 HE1 TYR 38 1HE TYR 38 -7.503 3.564 -6.033 226 HE2 TYR 38 2HE TYR 38 -3.530 1.978 -6.118 227 HH TYR 38 HH TYR 38 -4.765 4.527 -5.247 228 HA PRO 39 HA PRO 39 -4.132 -4.173 -4.141 229 1HB PRO 39 2HB PRO 39 -5.407 -6.555 -3.803 230 2HB PRO 39 1HB PRO 39 -5.803 -5.079 -2.926 231 1HG PRO 39 2HG PRO 39 -7.302 -6.388 -5.158 232 2HG PRO 39 1HG PRO 39 -7.906 -5.348 -3.865 233 1HD PRO 39 2HD PRO 39 -7.404 -4.596 -6.525 234 2HD PRO 39 1HD PRO 39 -7.752 -3.487 -5.188 235 H HIS 40 H HIS 40 -2.407 -4.585 -5.318 236 HA HIS 40 HA HIS 40 -2.356 -6.976 -7.121 237 1HB HIS 40 2HB HIS 40 -0.369 -5.400 -8.216 238 2HB HIS 40 1HB HIS 40 -2.035 -5.430 -8.801 239 HD1 HIS 40 1HD HIS 40 -0.759 -3.818 -5.645 240 HD2 HIS 40 2HD HIS 40 -2.454 -2.709 -9.280 241 HE1 HIS 40 1HE HIS 40 -1.522 -1.436 -5.370 242 HE2 HIS 40 2HE HIS 40 -2.150 -0.660 -7.693 243 H LYS 41 H LYS 41 0.285 -7.322 -7.528 244 HA LYS 41 HA LYS 41 1.321 -7.535 -4.741 245 1HB LYS 41 2HB LYS 41 2.602 -9.421 -5.450 246 2HB LYS 41 1HB LYS 41 0.962 -9.638 -6.064 247 1HG LYS 41 2HG LYS 41 1.904 -9.966 -8.061 248 2HG LYS 41 1HG LYS 41 2.108 -8.228 -8.144 249 1HD LYS 41 2HD LYS 41 4.256 -9.094 -8.582 250 2HD LYS 41 1HD LYS 41 4.350 -8.616 -6.888 251 1HE LYS 41 2HE LYS 41 5.038 -10.704 -6.470 252 2HE LYS 41 1HE LYS 41 3.375 -11.228 -6.749 253 1HZ LYS 41 1HZ LYS 41 5.519 -11.048 -8.810 254 2HZ LYS 41 2HZ LYS 41 3.918 -11.516 -9.105 255 3HZ LYS 41 3HZ LYS 41 4.909 -12.468 -8.122 256 H TYR 42 H TYR 42 3.378 -6.792 -4.233 257 HA TYR 42 HA TYR 42 4.659 -5.066 -6.283 258 1HB TYR 42 2HB TYR 42 3.942 -4.156 -3.968 259 2HB TYR 42 1HB TYR 42 5.253 -5.061 -3.316 260 HD1 TYR 42 1HD TYR 42 4.868 -3.021 -6.418 261 HD2 TYR 42 2HD TYR 42 7.019 -3.711 -2.764 262 HE1 TYR 42 1HE TYR 42 6.465 -1.248 -7.013 263 HE2 TYR 42 2HE TYR 42 8.598 -1.905 -3.355 264 HH TYR 42 HH TYR 42 9.194 -0.774 -6.137 265 H ASN 43 H ASN 43 7.068 -5.064 -6.308 266 HA ASN 43 HA ASN 43 8.178 -7.716 -5.454 267 1HB ASN 43 2HB ASN 43 7.966 -6.582 -8.105 268 2HB ASN 43 1HB ASN 43 9.663 -6.683 -7.667 269 1HD2 ASN 43 1HD2 ASN 43 10.515 -8.829 -7.065 270 2HD2 ASN 43 2HD2 ASN 43 9.677 -10.240 -7.604 271 H ASN 44 H ASN 44 8.495 -4.292 -5.374 272 HA ASN 44 HA ASN 44 10.050 -2.942 -4.332 273 1HB ASN 44 2HB ASN 44 9.800 -4.508 -2.443 274 2HB ASN 44 1HB ASN 44 11.019 -5.566 -3.146 275 1HD2 ASN 44 1HD2 ASN 44 13.215 -4.420 -3.596 276 2HD2 ASN 44 2HD2 ASN 44 13.699 -3.275 -2.410 277 H TYR 45 H TYR 45 11.814 -2.017 -5.200 278 HA TYR 45 HA TYR 45 14.106 -3.594 -6.098 279 1HB TYR 45 2HB TYR 45 12.046 -2.577 -8.034 280 2HB TYR 45 1HB TYR 45 13.738 -2.347 -8.497 281 HD1 TYR 45 1HD TYR 45 15.290 -4.291 -8.622 282 HD2 TYR 45 2HD TYR 45 11.059 -4.754 -8.049 283 HE1 TYR 45 1HE TYR 45 15.461 -6.668 -9.303 284 HE2 TYR 45 2HE TYR 45 11.234 -7.137 -8.735 285 HH TYR 45 HH TYR 45 13.668 -8.918 -8.673 286 H GLU 46 H GLU 46 12.412 -0.481 -6.111 287 HA GLU 46 HA GLU 46 14.270 1.348 -6.779 288 1HB GLU 46 2HB GLU 46 11.941 1.352 -5.264 289 2HB GLU 46 1HB GLU 46 13.116 1.941 -4.101 290 1HG GLU 46 2HG GLU 46 13.119 3.078 -6.877 291 2HG GLU 46 1HG GLU 46 11.908 3.586 -5.704 292 H GLY 47 H GLY 47 14.059 0.331 -3.345 293 1HA GLY 47 2HA GLY 47 16.511 -0.599 -2.741 294 2HA GLY 47 1HA GLY 47 16.888 1.114 -2.950 295 H PHE 48 H PHE 48 14.342 -0.843 -1.340 296 HA PHE 48 HA PHE 48 14.214 1.187 0.829 297 1HB PHE 48 2HB PHE 48 12.668 -1.423 0.540 298 2HB PHE 48 1HB PHE 48 12.274 -0.046 1.585 299 HD1 PHE 48 1HD PHE 48 13.101 2.101 -0.532 300 HD2 PHE 48 2HD PHE 48 10.548 -1.345 -0.671 301 HE1 PHE 48 1HE PHE 48 11.817 3.124 -2.352 302 HE2 PHE 48 2HE PHE 48 9.238 -0.299 -2.483 303 HZ PHE 48 HZ PHE 48 9.872 1.928 -3.326 304 H ASP 49 H ASP 49 13.859 -0.170 3.112 305 HA ASP 49 HA ASP 49 16.337 -1.846 3.290 306 1HB ASP 49 2HB ASP 49 16.183 0.499 4.478 307 2HB ASP 49 1HB ASP 49 15.196 -0.362 5.665 308 H PHE 50 H PHE 50 12.946 -1.700 3.908 309 HA PHE 50 HA PHE 50 12.974 -3.886 5.844 310 1HB PHE 50 2HB PHE 50 10.509 -3.804 5.588 311 2HB PHE 50 1HB PHE 50 11.183 -2.196 5.880 312 HD1 PHE 50 1HD PHE 50 10.251 -4.495 3.052 313 HD2 PHE 50 2HD PHE 50 10.622 -0.446 4.444 314 HE1 PHE 50 1HE PHE 50 9.287 -3.696 0.940 315 HE2 PHE 50 2HE PHE 50 9.617 0.357 2.321 316 HZ PHE 50 HZ PHE 50 8.931 -1.270 0.583 317 H SER 51 H SER 51 11.312 -5.770 5.161 318 HA SER 51 HA SER 51 11.271 -6.590 2.436 319 1HB SER 51 2HB SER 51 13.026 -8.614 3.190 320 2HB SER 51 1HB SER 51 13.419 -7.215 2.199 321 HG SER 51 HG SER 51 13.840 -7.583 4.956 322 H VAL 52 H VAL 52 9.244 -6.676 4.133 323 HA VAL 52 HA VAL 52 8.875 -8.718 5.973 324 HB VAL 52 HB VAL 52 6.834 -7.983 3.844 325 1HG1 VAL 52 1HG1 VAL 52 6.413 -8.978 6.663 326 2HG1 VAL 52 2HG1 VAL 52 6.368 -10.029 5.251 327 3HG1 VAL 52 3HG1 VAL 52 5.206 -8.736 5.398 328 1HG2 VAL 52 1HG2 VAL 52 6.045 -6.311 5.433 329 2HG2 VAL 52 2HG2 VAL 52 7.712 -5.979 5.017 330 3HG2 VAL 52 3HG2 VAL 52 7.330 -6.731 6.556 331 H SER 53 H SER 53 8.013 -9.082 2.494 332 HA SER 53 HA SER 53 9.240 -11.755 2.452 333 1HB SER 53 2HB SER 53 6.616 -11.637 3.254 334 2HB SER 53 1HB SER 53 6.416 -11.833 1.518 335 HG SER 53 HG SER 53 6.612 -13.863 2.428 336 H SER 54 H SER 54 8.566 -12.774 0.163 337 HA SER 54 HA SER 54 9.465 -10.825 -1.822 338 1HB SER 54 2HB SER 54 8.431 -13.429 -2.822 339 2HB SER 54 1HB SER 54 9.970 -12.627 -3.073 340 HG SER 54 HG SER 54 10.288 -14.463 -1.823 341 HA PRO 55 HA PRO 55 5.096 -11.599 -3.635 342 1HB PRO 55 2HB PRO 55 3.293 -12.940 -2.063 343 2HB PRO 55 1HB PRO 55 4.381 -13.722 -3.205 344 1HG PRO 55 2HG PRO 55 4.552 -13.629 -0.220 345 2HG PRO 55 1HG PRO 55 5.146 -14.869 -1.338 346 1HD PRO 55 2HD PRO 55 6.663 -12.883 -0.097 347 2HD PRO 55 1HD PRO 55 7.199 -13.907 -1.411 348 H TYR 56 H TYR 56 5.323 -9.336 -3.054 349 HA TYR 56 HA TYR 56 4.055 -8.375 -0.601 350 1HB TYR 56 2HB TYR 56 5.387 -7.117 -2.971 351 2HB TYR 56 1HB TYR 56 4.459 -6.100 -1.901 352 HD1 TYR 56 1HD TYR 56 7.661 -6.812 -2.546 353 HD2 TYR 56 2HD TYR 56 4.887 -7.086 0.720 354 HE1 TYR 56 1HE TYR 56 9.543 -6.708 -0.932 355 HE2 TYR 56 2HE TYR 56 6.754 -6.980 2.316 356 HH TYR 56 HH TYR 56 9.772 -7.626 1.658 357 H TYR 57 H TYR 57 2.535 -6.352 -1.020 358 HA TYR 57 HA TYR 57 0.672 -6.712 -3.211 359 1HB TYR 57 2HB TYR 57 -0.085 -7.332 -0.374 360 2HB TYR 57 1HB TYR 57 -1.294 -7.032 -1.643 361 HD1 TYR 57 1HD TYR 57 0.580 -9.521 -0.017 362 HD2 TYR 57 2HD TYR 57 -0.937 -8.405 -3.858 363 HE1 TYR 57 1HE TYR 57 0.757 -11.885 -0.765 364 HE2 TYR 57 2HE TYR 57 -0.747 -10.748 -4.628 365 HH TYR 57 HH TYR 57 -0.723 -13.224 -3.052 366 H GLU 58 H GLU 58 0.285 -4.645 -3.835 367 HA GLU 58 HA GLU 58 0.548 -2.501 -1.784 368 1HB GLU 58 2HB GLU 58 0.101 -1.889 -4.655 369 2HB GLU 58 1HB GLU 58 1.065 -1.057 -3.485 370 1HG GLU 58 2HG GLU 58 2.862 -2.101 -4.286 371 2HG GLU 58 1HG GLU 58 2.232 -3.622 -3.714 372 H TRP 59 H TRP 59 -1.083 -0.991 -1.395 373 HA TRP 59 HA TRP 59 -3.625 -1.110 -2.821 374 1HB TRP 59 2HB TRP 59 -4.230 -2.912 -1.459 375 2HB TRP 59 1HB TRP 59 -3.242 -2.359 -0.105 376 HD1 TRP 59 HD TRP 59 -4.260 -0.622 1.545 377 HE1 TRP 59 1HE TRP 59 -6.668 0.169 1.979 378 HE3 TRP 59 3HE TRP 59 -6.541 -2.441 -2.657 379 HZ2 TRP 59 2HZ TRP 59 -9.248 -0.007 0.683 380 HZ3 TRP 59 3HZ TRP 59 -8.963 -2.093 -3.013 381 HH2 TRP 59 HH TRP 59 -10.301 -0.893 -1.351 382 HA PRO 60 HA PRO 60 -3.423 3.114 -1.492 383 1HB PRO 60 2HB PRO 60 -6.082 3.780 -1.734 384 2HB PRO 60 1HB PRO 60 -4.955 3.645 -3.078 385 1HG PRO 60 2HG PRO 60 -7.000 1.665 -2.159 386 2HG PRO 60 1HG PRO 60 -6.524 2.048 -3.776 387 1HD PRO 60 2HD PRO 60 -5.662 -0.165 -2.481 388 2HD PRO 60 1HD PRO 60 -4.717 0.584 -3.696 389 H ILE 61 H ILE 61 -3.392 4.080 0.452 390 HA ILE 61 HA ILE 61 -5.214 3.049 2.609 391 HB ILE 61 HB ILE 61 -3.125 2.384 3.378 392 1HG1 ILE 61 2HG1 ILE 61 -2.422 3.919 5.107 393 2HG1 ILE 61 1HG1 ILE 61 -3.096 5.296 4.288 394 1HG2 ILE 61 1HG2 ILE 61 -1.811 3.200 1.518 395 2HG2 ILE 61 2HG2 ILE 61 -1.046 3.734 2.999 396 3HG2 ILE 61 3HG2 ILE 61 -2.002 4.866 2.044 397 1HD1 ILE 61 1HD1 ILE 61 -4.799 4.895 5.733 398 2HD1 ILE 61 2HD1 ILE 61 -4.399 3.220 5.890 399 3HD1 ILE 61 3HD1 ILE 61 -5.331 3.768 4.527 400 H LEU 62 H LEU 62 -6.717 4.631 3.053 401 HA LEU 62 HA LEU 62 -5.797 7.477 2.901 402 1HB LEU 62 2HB LEU 62 -8.712 6.918 2.759 403 2HB LEU 62 1HB LEU 62 -7.724 8.104 1.892 404 HG LEU 62 HG LEU 62 -7.988 5.161 1.286 405 1HD1 LEU 62 1HD1 LEU 62 -8.751 7.725 -0.107 406 2HD1 LEU 62 2HD1 LEU 62 -9.742 6.334 0.249 407 3HD1 LEU 62 3HD1 LEU 62 -8.546 6.226 -1.004 408 1HD2 LEU 62 1HD2 LEU 62 -5.717 6.920 0.815 409 2HD2 LEU 62 2HD2 LEU 62 -6.440 6.420 -0.684 410 3HD2 LEU 62 3HD2 LEU 62 -5.920 5.209 0.438 411 H SER 63 H SER 63 -6.965 8.928 4.460 412 HA SER 63 HA SER 63 -7.880 7.443 6.904 413 1HB SER 63 2HB SER 63 -5.642 8.099 7.433 414 2HB SER 63 1HB SER 63 -5.864 9.700 6.714 415 HG SER 63 HG SER 63 -6.947 10.341 8.456 416 H SER 64 H SER 64 -9.490 8.697 4.824 417 HA SER 64 HA SER 64 -10.615 10.996 6.392 418 1HB SER 64 2HB SER 64 -9.723 10.976 3.738 419 2HB SER 64 1HB SER 64 -11.476 10.830 3.592 420 HG SER 64 HG SER 64 -9.949 12.874 4.788 421 H GLY 65 H GLY 65 -11.103 7.807 5.951 422 1HA GLY 65 2HA GLY 65 -13.112 6.766 6.774 423 2HA GLY 65 1HA GLY 65 -14.070 8.113 6.170 424 H ASP 66 H ASP 66 -12.621 8.162 3.563 425 HA ASP 66 HA ASP 66 -14.027 5.845 2.336 426 1HB ASP 66 2HB ASP 66 -13.148 8.576 1.397 427 2HB ASP 66 1HB ASP 66 -13.365 7.289 0.203 428 H VAL 67 H VAL 67 -12.490 4.217 2.714 429 HA VAL 67 HA VAL 67 -9.683 4.510 2.196 430 HB VAL 67 HB VAL 67 -11.355 1.973 2.097 431 1HG1 VAL 67 1HG1 VAL 67 -9.231 0.871 2.642 432 2HG1 VAL 67 2HG1 VAL 67 -8.398 2.423 2.632 433 3HG1 VAL 67 3HG1 VAL 67 -9.048 1.769 1.155 434 1HG2 VAL 67 1HG2 VAL 67 -9.958 3.384 4.395 435 2HG2 VAL 67 2HG2 VAL 67 -10.622 1.753 4.478 436 3HG2 VAL 67 3HG2 VAL 67 -11.692 3.120 4.220 437 H TYR 68 H TYR 68 -8.466 3.584 0.354 438 HA TYR 68 HA TYR 68 -8.088 3.694 -1.943 439 1HB TYR 68 2HB TYR 68 -9.115 1.824 -3.110 440 2HB TYR 68 1HB TYR 68 -8.823 1.372 -1.452 441 HD1 TYR 68 1HD TYR 68 -11.413 2.184 -3.907 442 HD2 TYR 68 2HD TYR 68 -10.661 1.139 0.168 443 HE1 TYR 68 1HE TYR 68 -13.812 1.738 -3.576 444 HE2 TYR 68 2HE TYR 68 -13.043 0.665 0.515 445 HH TYR 68 HH TYR 68 -15.374 1.706 -1.035 446 H SER 69 H SER 69 -9.839 3.380 -4.139 447 HA SER 69 HA SER 69 -11.154 4.701 -5.505 448 1HB SER 69 2HB SER 69 -12.997 3.891 -4.174 449 2HB SER 69 1HB SER 69 -12.647 5.023 -2.870 450 HG SER 69 HG SER 69 -14.359 5.696 -4.289 451 H GLY 70 H GLY 70 -12.063 7.083 -5.688 452 1HA GLY 70 2HA GLY 70 -11.790 9.364 -4.664 453 2HA GLY 70 1HA GLY 70 -10.126 8.925 -4.290 454 H GLY 71 H GLY 71 -9.507 10.817 -5.589 455 1HA GLY 71 2HA GLY 71 -9.778 10.357 -8.557 456 2HA GLY 71 1HA GLY 71 -9.551 11.926 -7.793 457 H SER 72 H SER 72 -7.823 8.912 -7.023 458 HA SER 72 HA SER 72 -5.424 9.798 -8.447 459 1HB SER 72 2HB SER 72 -5.638 11.088 -6.163 460 2HB SER 72 1HB SER 72 -5.026 9.588 -5.470 461 HG SER 72 HG SER 72 -3.177 9.804 -6.638 462 HA PRO 73 HA PRO 73 -5.734 5.263 -7.748 463 1HB PRO 73 2HB PRO 73 -5.308 4.596 -10.367 464 2HB PRO 73 1HB PRO 73 -6.880 4.982 -9.686 465 1HG PRO 73 2HG PRO 73 -5.154 6.658 -11.456 466 2HG PRO 73 1HG PRO 73 -6.918 6.664 -11.278 467 1HD PRO 73 2HD PRO 73 -5.093 8.515 -10.122 468 2HD PRO 73 1HD PRO 73 -6.822 8.357 -9.744 469 H GLY 74 H GLY 74 -3.390 6.823 -7.109 470 1HA GLY 74 2HA GLY 74 -1.296 4.902 -7.624 471 2HA GLY 74 1HA GLY 74 -1.097 6.321 -8.596 472 H ALA 75 H ALA 75 0.930 6.427 -7.168 473 HA ALA 75 HA ALA 75 2.058 7.749 -5.593 474 1HB ALA 75 1HB ALA 75 -0.566 8.811 -4.601 475 2HB ALA 75 2HB ALA 75 0.087 9.308 -6.157 476 3HB ALA 75 3HB ALA 75 1.009 9.595 -4.689 477 H ASP 76 H ASP 76 0.649 8.387 -2.944 478 HA ASP 76 HA ASP 76 1.659 6.601 -1.232 479 1HB ASP 76 2HB ASP 76 -1.105 7.848 -1.151 480 2HB ASP 76 1HB ASP 76 -0.442 6.948 0.223 481 H ARG 77 H ARG 77 1.492 4.467 -0.731 482 HA ARG 77 HA ARG 77 -0.964 2.970 -1.051 483 1HB ARG 77 2HB ARG 77 0.252 3.241 -3.402 484 2HB ARG 77 1HB ARG 77 1.207 1.881 -2.842 485 1HG ARG 77 2HG ARG 77 -0.741 0.549 -2.502 486 2HG ARG 77 1HG ARG 77 -1.814 1.904 -2.838 487 1HD ARG 77 2HD ARG 77 -0.109 0.330 -4.732 488 2HD ARG 77 1HD ARG 77 -1.817 0.760 -4.869 489 HE ARG 77 HE ARG 77 0.225 2.858 -4.875 490 1HH1 ARG 77 1HH1 ARG 77 -1.011 1.660 -7.656 491 2HH1 ARG 77 2HH1 ARG 77 -2.195 2.897 -7.918 492 1HH2 ARG 77 1HH2 ARG 77 -1.817 4.298 -4.761 493 2HH2 ARG 77 2HH2 ARG 77 -2.758 4.291 -6.205 494 H VAL 78 H VAL 78 -0.745 1.863 0.841 495 HA VAL 78 HA VAL 78 1.826 1.151 1.970 496 HB VAL 78 HB VAL 78 -0.022 1.561 3.480 497 1HG1 VAL 78 1HG1 VAL 78 -1.371 -0.720 1.989 498 2HG1 VAL 78 2HG1 VAL 78 -1.906 0.952 2.091 499 3HG1 VAL 78 3HG1 VAL 78 -1.949 -0.065 3.515 500 1HG2 VAL 78 1HG2 VAL 78 0.446 -1.437 3.588 501 2HG2 VAL 78 2HG2 VAL 78 0.221 -0.279 4.887 502 3HG2 VAL 78 3HG2 VAL 78 1.693 -0.254 3.967 503 H VAL 79 H VAL 79 2.426 -1.170 2.490 504 HA VAL 79 HA VAL 79 1.434 -3.056 0.420 505 HB VAL 79 HB VAL 79 4.284 -2.929 1.320 506 1HG1 VAL 79 1HG1 VAL 79 2.788 -4.265 -0.915 507 2HG1 VAL 79 2HG1 VAL 79 3.849 -5.014 0.270 508 3HG1 VAL 79 3HG1 VAL 79 4.516 -4.033 -1.009 509 1HG2 VAL 79 1HG2 VAL 79 4.706 -1.791 -0.893 510 2HG2 VAL 79 2HG2 VAL 79 3.948 -0.799 0.346 511 3HG2 VAL 79 3HG2 VAL 79 2.966 -1.488 -0.943 512 H PHE 80 H PHE 80 2.131 -5.337 0.977 513 HA PHE 80 HA PHE 80 2.665 -6.012 3.715 514 1HB PHE 80 2HB PHE 80 0.321 -6.891 4.141 515 2HB PHE 80 1HB PHE 80 0.409 -5.139 4.054 516 HD1 PHE 80 1HD PHE 80 -0.923 -8.139 2.544 517 HD2 PHE 80 2HD PHE 80 -0.246 -3.948 1.921 518 HE1 PHE 80 1HE PHE 80 -2.569 -8.140 0.691 519 HE2 PHE 80 2HE PHE 80 -1.882 -3.946 0.081 520 HZ PHE 80 HZ PHE 80 -3.054 -6.041 -0.542 521 H ASN 81 H ASN 81 1.613 -8.523 3.888 522 HA ASN 81 HA ASN 81 2.358 -9.822 1.285 523 1HB ASN 81 2HB ASN 81 4.209 -10.278 2.653 524 2HB ASN 81 1HB ASN 81 3.231 -10.419 4.115 525 1HD2 ASN 81 1HD2 ASN 81 3.225 -12.540 4.782 526 2HD2 ASN 81 2HD2 ASN 81 3.116 -13.900 3.721 527 H GLU 82 H GLU 82 1.312 -11.352 4.289 528 HA GLU 82 HA GLU 82 -1.364 -11.893 3.113 529 1HB GLU 82 2HB GLU 82 0.759 -13.932 3.827 530 2HB GLU 82 1HB GLU 82 -0.958 -14.350 3.950 531 1HG GLU 82 2HG GLU 82 -0.977 -13.261 1.478 532 2HG GLU 82 1HG GLU 82 0.704 -13.818 1.539 533 H ASN 83 H ASN 83 0.411 -10.879 5.712 534 HA ASN 83 HA ASN 83 -1.802 -11.612 7.564 535 1HB ASN 83 2HB ASN 83 1.157 -12.009 7.825 536 2HB ASN 83 1HB ASN 83 0.334 -11.377 9.256 537 1HD2 ASN 83 1HD2 ASN 83 1.452 -14.169 8.441 538 2HD2 ASN 83 2HD2 ASN 83 0.149 -15.212 8.887 539 H ASN 84 H ASN 84 -0.440 -9.165 5.897 540 HA ASN 84 HA ASN 84 -0.693 -6.893 6.136 541 1HB ASN 84 2HB ASN 84 -2.689 -7.744 7.682 542 2HB ASN 84 1HB ASN 84 -1.645 -7.181 8.994 543 1HD2 ASN 84 1HD2 ASN 84 -1.622 -4.988 9.404 544 2HD2 ASN 84 2HD2 ASN 84 -2.374 -3.828 8.389 545 H GLN 85 H GLN 85 1.682 -8.392 6.857 546 HA GLN 85 HA GLN 85 2.875 -7.433 9.294 547 1HB GLN 85 2HB GLN 85 4.516 -7.916 6.847 548 2HB GLN 85 1HB GLN 85 4.878 -8.368 8.508 549 1HG GLN 85 2HG GLN 85 2.498 -9.767 7.863 550 2HG GLN 85 1HG GLN 85 3.534 -9.892 6.433 551 1HE2 GLN 85 1HE2 GLN 85 2.982 -11.036 9.617 552 2HE2 GLN 85 2HE2 GLN 85 4.419 -11.989 9.730 553 H LEU 86 H LEU 86 2.557 -6.149 6.041 554 HA LEU 86 HA LEU 86 2.596 -3.956 5.414 555 1HB LEU 86 2HB LEU 86 2.536 -3.583 8.122 556 2HB LEU 86 1HB LEU 86 4.114 -2.888 7.752 557 HG LEU 86 HG LEU 86 2.490 -1.130 7.598 558 1HD1 LEU 86 1HD1 LEU 86 2.903 -0.353 5.442 559 2HD1 LEU 86 2HD1 LEU 86 2.920 -1.951 4.717 560 3HD1 LEU 86 3HD1 LEU 86 4.240 -1.419 5.759 561 1HD2 LEU 86 1HD2 LEU 86 0.945 -2.644 5.510 562 2HD2 LEU 86 2HD2 LEU 86 0.431 -1.304 6.531 563 3HD2 LEU 86 3HD2 LEU 86 0.598 -2.908 7.217 564 H ALA 87 H ALA 87 4.038 -4.037 3.752 565 HA ALA 87 HA ALA 87 6.874 -4.525 4.143 566 1HB ALA 87 1HB ALA 87 5.288 -4.857 1.988 567 2HB ALA 87 2HB ALA 87 7.028 -4.597 1.885 568 3HB ALA 87 3HB ALA 87 5.952 -3.260 1.631 569 H GLY 88 H GLY 88 4.786 -1.753 3.886 570 1HA GLY 88 2HA GLY 88 6.137 0.149 5.204 571 2HA GLY 88 1HA GLY 88 7.069 0.116 3.705 572 H VAL 89 H VAL 89 6.407 2.214 3.048 573 HA VAL 89 HA VAL 89 3.542 2.340 2.158 574 HB VAL 89 HB VAL 89 5.191 4.546 3.422 575 1HG1 VAL 89 1HG1 VAL 89 3.210 5.953 3.037 576 2HG1 VAL 89 2HG1 VAL 89 2.408 4.624 2.207 577 3HG1 VAL 89 3HG1 VAL 89 3.821 5.375 1.503 578 1HG2 VAL 89 1HG2 VAL 89 4.173 3.009 5.031 579 2HG2 VAL 89 2HG2 VAL 89 2.622 3.147 4.231 580 3HG2 VAL 89 3HG2 VAL 89 3.309 4.528 5.022 581 H ILE 90 H ILE 90 4.246 1.684 0.089 582 HA ILE 90 HA ILE 90 6.277 3.228 -1.363 583 HB ILE 90 HB ILE 90 5.504 1.857 -3.314 584 1HG1 ILE 90 2HG1 ILE 90 3.613 0.665 -1.277 585 2HG1 ILE 90 1HG1 ILE 90 3.155 1.544 -2.721 586 1HG2 ILE 90 1HG2 ILE 90 7.205 1.161 -1.483 587 2HG2 ILE 90 2HG2 ILE 90 6.591 -0.078 -2.562 588 3HG2 ILE 90 3HG2 ILE 90 5.935 0.069 -0.929 589 1HD1 ILE 90 1HD1 ILE 90 3.048 -0.917 -2.870 590 2HD1 ILE 90 2HD1 ILE 90 4.779 -1.004 -2.803 591 3HD1 ILE 90 3HD1 ILE 90 3.987 -0.161 -4.130 592 H THR 91 H THR 91 5.881 4.953 -2.735 593 HA THR 91 HA THR 91 3.045 5.647 -3.239 594 HB THR 91 HB THR 91 4.014 7.056 -1.422 595 HG1 THR 91 1HG THR 91 3.544 8.550 -3.818 596 1HG2 THR 91 1HG2 THR 91 5.906 8.317 -1.709 597 2HG2 THR 91 2HG2 THR 91 5.694 8.451 -3.441 598 3HG2 THR 91 3HG2 THR 91 6.337 6.974 -2.751 599 H HIS 92 H HIS 92 2.704 5.657 -5.404 600 HA HIS 92 HA HIS 92 4.933 6.010 -7.259 601 1HB HIS 92 2HB HIS 92 2.272 4.849 -7.336 602 2HB HIS 92 1HB HIS 92 2.429 5.995 -8.665 603 HD1 HIS 92 1HD HIS 92 2.500 4.084 -10.391 604 HD2 HIS 92 2HD HIS 92 5.610 4.058 -7.678 605 HE1 HIS 92 1HE HIS 92 4.221 2.473 -11.300 606 HE2 HIS 92 2HE HIS 92 6.225 2.661 -9.769 607 H THR 93 H THR 93 5.379 8.223 -6.495 608 HA THR 93 HA THR 93 4.427 10.212 -8.295 609 HB THR 93 HB THR 93 2.944 10.023 -5.674 610 HG1 THR 93 1HG THR 93 2.192 10.724 -8.350 611 1HG2 THR 93 1HG2 THR 93 3.659 12.555 -7.172 612 2HG2 THR 93 2HG2 THR 93 3.772 12.225 -5.437 613 3HG2 THR 93 3HG2 THR 93 2.200 12.417 -6.197 614 H GLY 94 H GLY 94 5.855 9.454 -5.156 615 1HA GLY 94 2HA GLY 94 7.038 11.947 -4.569 616 2HA GLY 94 1HA GLY 94 7.677 10.386 -4.056 617 H ALA 95 H ALA 95 7.724 9.759 -7.160 618 HA ALA 95 HA ALA 95 10.330 11.150 -7.646 619 1HB ALA 95 1HB ALA 95 11.178 9.098 -7.810 620 2HB ALA 95 2HB ALA 95 10.203 8.840 -9.247 621 3HB ALA 95 3HB ALA 95 9.595 8.356 -7.658 622 H SER 96 H SER 96 10.812 11.448 -9.997 623 HA SER 96 HA SER 96 8.948 12.945 -11.365 624 1HB SER 96 2HB SER 96 11.194 11.187 -12.342 625 2HB SER 96 1HB SER 96 10.157 12.003 -13.520 626 HG SER 96 HG SER 96 11.867 13.131 -11.588 627 H GLY 97 H GLY 97 6.914 12.458 -12.087 628 1HA GLY 97 2HA GLY 97 5.253 11.235 -13.244 629 2HA GLY 97 1HA GLY 97 6.391 9.904 -13.474 630 H ASN 98 H ASN 98 6.811 8.501 -11.598 631 HA ASN 98 HA ASN 98 4.998 8.750 -9.334 632 1HB ASN 98 2HB ASN 98 4.611 6.070 -10.064 633 2HB ASN 98 1HB ASN 98 3.431 7.344 -10.128 634 1HD2 ASN 98 1HD2 ASN 98 4.926 5.055 -12.026 635 2HD2 ASN 98 2HD2 ASN 98 4.652 5.802 -13.554 636 H ASN 99 H ASN 99 6.479 5.740 -10.475 637 HA ASN 99 HA ASN 99 8.141 4.450 -9.554 638 1HB ASN 99 2HB ASN 99 9.103 7.221 -9.373 639 2HB ASN 99 1HB ASN 99 9.871 6.175 -8.185 640 1HD2 ASN 99 1HD2 ASN 99 9.816 7.129 -11.476 641 2HD2 ASN 99 2HD2 ASN 99 10.896 5.910 -12.050 642 H PHE 100 H PHE 100 8.082 3.211 -7.712 643 HA PHE 100 HA PHE 100 6.560 4.285 -5.424 644 1HB PHE 100 2HB PHE 100 7.779 1.576 -5.970 645 2HB PHE 100 1HB PHE 100 6.825 1.938 -4.541 646 HD1 PHE 100 1HD PHE 100 4.545 3.306 -5.171 647 HD2 PHE 100 2HD PHE 100 6.634 0.531 -7.694 648 HE1 PHE 100 1HE PHE 100 2.459 2.896 -6.449 649 HE2 PHE 100 2HE PHE 100 4.543 0.110 -8.966 650 HZ PHE 100 HZ PHE 100 2.457 1.302 -8.348 651 H VAL 101 H VAL 101 7.483 5.152 -3.676 652 HA VAL 101 HA VAL 101 10.186 4.277 -2.833 653 HB VAL 101 HB VAL 101 10.603 6.833 -2.362 654 1HG1 VAL 101 1HG1 VAL 101 10.682 6.080 -5.282 655 2HG1 VAL 101 2HG1 VAL 101 11.660 5.222 -4.106 656 3HG1 VAL 101 3HG1 VAL 101 11.872 6.956 -4.311 657 1HG2 VAL 101 1HG2 VAL 101 8.583 6.968 -4.637 658 2HG2 VAL 101 2HG2 VAL 101 9.513 8.304 -3.972 659 3HG2 VAL 101 3HG2 VAL 101 8.305 7.509 -2.983 660 H GLU 102 H GLU 102 10.339 4.170 -0.612 661 HA GLU 102 HA GLU 102 7.966 4.275 0.945 662 1HB GLU 102 2HB GLU 102 9.455 4.048 2.912 663 2HB GLU 102 1HB GLU 102 9.923 2.946 1.609 664 1HG GLU 102 2HG GLU 102 11.668 4.558 0.881 665 2HG GLU 102 1HG GLU 102 11.230 5.614 2.221 666 H CYS 103 H CYS 103 6.907 6.034 1.726 667 HA CYS 103 HA CYS 103 7.756 8.704 1.275 668 1HB CYS 103 2HB CYS 103 5.846 7.647 3.403 669 2HB CYS 103 1HB CYS 103 5.952 9.311 2.847 670 H THR 104 H THR 104 8.363 10.337 2.946 671 HA THR 104 HA THR 104 9.764 9.168 5.314 672 HB THR 104 HB THR 104 11.530 11.140 4.542 673 HG1 THR 104 1HG THR 104 10.822 9.852 2.100 674 1HG2 THR 104 1HG2 THR 104 11.560 8.251 3.630 675 2HG2 THR 104 2HG2 THR 104 12.093 8.836 5.209 676 3HG2 THR 104 3HG2 THR 104 12.955 9.323 3.750 Start of MODEL 17 1 1H ALA 1 1HT ALA 1 -1.954 10.710 16.033 2 2H ALA 1 2HT ALA 1 -1.770 9.837 17.494 3 3H ALA 1 3HT ALA 1 -2.216 9.013 16.052 4 HA ALA 1 HA ALA 1 0.358 10.399 16.571 5 1HB ALA 1 1HB ALA 1 0.100 8.306 17.835 6 2HB ALA 1 2HB ALA 1 1.287 8.112 16.546 7 3HB ALA 1 3HB ALA 1 -0.340 7.455 16.355 8 H CYS 2 H CYS 2 1.954 9.416 14.816 9 HA CYS 2 HA CYS 2 0.948 8.552 12.327 10 1HB CYS 2 2HB CYS 2 1.130 10.619 11.014 11 2HB CYS 2 1HB CYS 2 -0.149 10.775 12.208 12 H ASP 3 H ASP 3 2.834 7.279 12.537 13 HA ASP 3 HA ASP 3 5.437 8.693 12.514 14 1HB ASP 3 2HB ASP 3 4.659 6.315 13.643 15 2HB ASP 3 1HB ASP 3 5.371 5.732 12.136 16 H TYR 4 H TYR 4 3.167 8.042 10.199 17 HA TYR 4 HA TYR 4 5.287 7.676 8.122 18 1HB TYR 4 2HB TYR 4 2.552 6.401 8.395 19 2HB TYR 4 1HB TYR 4 3.308 6.582 6.806 20 HD1 TYR 4 1HD TYR 4 3.222 4.645 9.835 21 HD2 TYR 4 2HD TYR 4 5.663 5.682 6.457 22 HE1 TYR 4 1HE TYR 4 4.634 2.645 10.242 23 HE2 TYR 4 2HE TYR 4 7.071 3.680 6.855 24 HH TYR 4 HH TYR 4 6.401 1.183 8.279 25 H THR 5 H THR 5 5.485 9.707 7.306 26 HA THR 5 HA THR 5 2.985 10.985 6.264 27 HB THR 5 HB THR 5 3.561 12.154 8.362 28 HG1 THR 5 1HG THR 5 4.424 13.793 6.189 29 1HG2 THR 5 1HG2 THR 5 6.159 11.510 7.862 30 2HG2 THR 5 2HG2 THR 5 5.647 12.786 8.945 31 3HG2 THR 5 3HG2 THR 5 6.121 13.175 7.302 32 H CYS 6 H CYS 6 3.352 10.788 4.097 33 HA CYS 6 HA CYS 6 6.106 11.253 3.024 34 1HB CYS 6 2HB CYS 6 3.512 10.228 1.837 35 2HB CYS 6 1HB CYS 6 4.942 10.572 0.872 36 H GLY 7 H GLY 7 4.077 13.271 4.095 37 1HA GLY 7 2HA GLY 7 4.850 15.447 2.470 38 2HA GLY 7 1HA GLY 7 3.219 14.955 1.998 39 H SER 8 H SER 8 1.568 15.829 3.185 40 HA SER 8 HA SER 8 2.245 16.913 5.907 41 1HB SER 8 2HB SER 8 -0.115 18.008 4.450 42 2HB SER 8 1HB SER 8 1.099 18.826 5.441 43 HG SER 8 HG SER 8 1.200 18.122 2.722 44 H ASN 9 H ASN 9 0.757 14.373 4.457 45 HA ASN 9 HA ASN 9 -1.685 14.424 6.136 46 1HB ASN 9 2HB ASN 9 -0.684 12.820 3.808 47 2HB ASN 9 1HB ASN 9 -1.771 12.018 4.911 48 1HD2 ASN 9 1HD2 ASN 9 -3.822 13.373 5.469 49 2HD2 ASN 9 2HD2 ASN 9 -4.512 14.213 4.134 50 H CYS 10 H CYS 10 -0.046 14.442 8.031 51 HA CYS 10 HA CYS 10 1.569 12.275 8.724 52 1HB CYS 10 2HB CYS 10 0.684 14.550 10.018 53 2HB CYS 10 1HB CYS 10 -0.112 13.304 10.975 54 H TYR 11 H TYR 11 0.631 10.333 7.943 55 HA TYR 11 HA TYR 11 -2.026 9.517 8.925 56 1HB TYR 11 2HB TYR 11 0.051 8.392 7.043 57 2HB TYR 11 1HB TYR 11 -1.159 7.290 7.720 58 HD1 TYR 11 1HD TYR 11 -1.876 7.006 5.306 59 HD2 TYR 11 2HD TYR 11 -2.265 10.736 7.409 60 HE1 TYR 11 1HE TYR 11 -3.550 7.792 3.645 61 HE2 TYR 11 2HE TYR 11 -3.916 11.490 5.781 62 HH TYR 11 HH TYR 11 -4.334 10.676 3.018 63 H SER 12 H SER 12 -2.472 7.911 10.374 64 HA SER 12 HA SER 12 -0.437 7.471 12.415 65 1HB SER 12 2HB SER 12 -3.213 7.551 12.397 66 2HB SER 12 1HB SER 12 -2.858 5.856 12.696 67 HG SER 12 HG SER 12 -1.747 6.392 14.501 68 H SER 13 H SER 13 0.914 5.748 12.540 69 HA SER 13 HA SER 13 1.192 3.832 10.523 70 1HB SER 13 2HB SER 13 2.194 2.403 12.550 71 2HB SER 13 1HB SER 13 3.011 3.843 11.937 72 HG SER 13 HG SER 13 2.755 3.891 14.223 73 H SER 14 H SER 14 -0.691 3.639 13.541 74 HA SER 14 HA SER 14 -1.619 0.957 13.184 75 1HB SER 14 2HB SER 14 -2.703 3.354 14.682 76 2HB SER 14 1HB SER 14 -3.568 1.811 14.677 77 HG SER 14 HG SER 14 -1.909 0.855 15.724 78 H ASP 15 H ASP 15 -2.769 4.065 11.961 79 HA ASP 15 HA ASP 15 -5.230 3.076 10.911 80 1HB ASP 15 2HB ASP 15 -4.559 5.533 11.294 81 2HB ASP 15 1HB ASP 15 -3.693 5.424 9.757 82 H VAL 16 H VAL 16 -1.924 3.206 9.789 83 HA VAL 16 HA VAL 16 -2.368 2.694 7.032 84 HB VAL 16 HB VAL 16 -0.058 1.518 8.627 85 1HG1 VAL 16 1HG1 VAL 16 1.140 1.870 6.521 86 2HG1 VAL 16 2HG1 VAL 16 -0.303 2.570 5.785 87 3HG1 VAL 16 3HG1 VAL 16 -0.277 0.867 6.248 88 1HG2 VAL 16 1HG2 VAL 16 1.093 3.670 8.241 89 2HG2 VAL 16 2HG2 VAL 16 -0.308 3.879 9.244 90 3HG2 VAL 16 3HG2 VAL 16 -0.387 4.346 7.570 91 H SER 17 H SER 17 -2.627 0.690 9.884 92 HA SER 17 HA SER 17 -2.604 -1.843 8.504 93 1HB SER 17 2HB SER 17 -2.131 -1.537 10.951 94 2HB SER 17 1HB SER 17 -3.848 -1.199 11.191 95 HG SER 17 HG SER 17 -4.348 -3.253 10.630 96 H THR 18 H THR 18 -5.123 0.428 9.605 97 HA THR 18 HA THR 18 -7.371 -1.185 8.945 98 HB THR 18 HB THR 18 -8.105 1.490 8.301 99 HG1 THR 18 1HG THR 18 -6.461 1.596 10.596 100 1HG2 THR 18 1HG2 THR 18 -9.362 -0.087 9.711 101 2HG2 THR 18 2HG2 THR 18 -9.126 1.464 10.516 102 3HG2 THR 18 3HG2 THR 18 -8.142 0.076 10.978 103 H ALA 19 H ALA 19 -5.378 0.997 6.985 104 HA ALA 19 HA ALA 19 -6.950 0.556 4.561 105 1HB ALA 19 1HB ALA 19 -4.166 1.691 4.980 106 2HB ALA 19 2HB ALA 19 -5.686 2.591 4.871 107 3HB ALA 19 3HB ALA 19 -5.069 1.734 3.457 108 H GLN 20 H GLN 20 -4.261 -0.940 6.202 109 HA GLN 20 HA GLN 20 -3.388 -2.539 3.942 110 1HB GLN 20 2HB GLN 20 -2.475 -1.998 6.614 111 2HB GLN 20 1HB GLN 20 -2.703 -3.723 6.513 112 1HG GLN 20 2HG GLN 20 -0.409 -2.707 5.880 113 2HG GLN 20 1HG GLN 20 -1.106 -3.956 4.854 114 1HE2 GLN 20 1HE2 GLN 20 0.363 -2.899 3.205 115 2HE2 GLN 20 2HE2 GLN 20 -0.337 -1.689 2.250 116 H ALA 21 H ALA 21 -5.986 -2.680 6.145 117 HA ALA 21 HA ALA 21 -6.372 -5.585 5.757 118 1HB ALA 21 1HB ALA 21 -8.308 -5.275 7.239 119 2HB ALA 21 2HB ALA 21 -8.021 -3.533 7.257 120 3HB ALA 21 3HB ALA 21 -6.838 -4.629 7.966 121 H ALA 22 H ALA 22 -7.132 -2.627 4.230 122 HA ALA 22 HA ALA 22 -9.704 -3.485 3.123 123 1HB ALA 22 1HB ALA 22 -9.567 -1.402 1.850 124 2HB ALA 22 2HB ALA 22 -7.906 -1.152 2.378 125 3HB ALA 22 3HB ALA 22 -9.225 -1.097 3.547 126 H GLY 23 H GLY 23 -6.452 -2.751 1.757 127 1HA GLY 23 2HA GLY 23 -7.035 -3.984 -0.802 128 2HA GLY 23 1HA GLY 23 -5.443 -3.589 -0.183 129 H TYR 24 H TYR 24 -5.970 -5.154 2.319 130 HA TYR 24 HA TYR 24 -4.930 -7.679 1.305 131 1HB TYR 24 2HB TYR 24 -4.013 -6.936 3.409 132 2HB TYR 24 1HB TYR 24 -5.629 -6.634 4.051 133 HD1 TYR 24 1HD TYR 24 -6.122 -8.089 5.771 134 HD2 TYR 24 2HD TYR 24 -4.062 -9.548 2.295 135 HE1 TYR 24 1HE TYR 24 -6.207 -10.390 6.690 136 HE2 TYR 24 2HE TYR 24 -4.148 -11.854 3.209 137 HH TYR 24 HH TYR 24 -6.082 -12.948 5.319 138 H GLN 25 H GLN 25 -7.861 -6.753 3.152 139 HA GLN 25 HA GLN 25 -9.143 -9.215 3.222 140 1HB GLN 25 2HB GLN 25 -9.982 -6.886 4.002 141 2HB GLN 25 1HB GLN 25 -10.670 -6.709 2.391 142 1HG GLN 25 2HG GLN 25 -11.276 -9.317 3.643 143 2HG GLN 25 1HG GLN 25 -11.839 -7.937 4.595 144 1HE2 GLN 25 1HE2 GLN 25 -14.059 -8.042 4.102 145 2HE2 GLN 25 2HE2 GLN 25 -14.662 -7.861 2.492 146 H LEU 26 H LEU 26 -9.131 -6.873 0.537 147 HA LEU 26 HA LEU 26 -10.697 -8.433 -1.268 148 1HB LEU 26 2HB LEU 26 -8.917 -6.070 -1.401 149 2HB LEU 26 1HB LEU 26 -8.835 -7.037 -2.871 150 HG LEU 26 HG LEU 26 -10.629 -5.216 -2.836 151 1HD1 LEU 26 1HD1 LEU 26 -11.449 -8.105 -3.243 152 2HD1 LEU 26 2HD1 LEU 26 -10.659 -7.054 -4.399 153 3HD1 LEU 26 3HD1 LEU 26 -12.305 -6.698 -3.870 154 1HD2 LEU 26 1HD2 LEU 26 -12.506 -5.438 -1.493 155 2HD2 LEU 26 2HD2 LEU 26 -11.235 -5.918 -0.378 156 3HD2 LEU 26 3HD2 LEU 26 -12.238 -7.143 -1.159 157 H HIS 27 H HIS 27 -7.159 -8.262 -0.866 158 HA HIS 27 HA HIS 27 -6.519 -10.160 -2.876 159 1HB HIS 27 2HB HIS 27 -4.734 -8.875 -1.917 160 2HB HIS 27 1HB HIS 27 -5.120 -9.438 -0.283 161 HD1 HIS 27 1HD HIS 27 -4.733 -11.546 -3.436 162 HD2 HIS 27 2HD HIS 27 -2.941 -11.029 0.297 163 HE1 HIS 27 1HE HIS 27 -2.985 -13.358 -3.224 164 HE2 HIS 27 2HE HIS 27 -2.121 -13.218 -0.851 165 H GLU 28 H GLU 28 -8.125 -10.677 0.139 166 HA GLU 28 HA GLU 28 -7.323 -13.519 0.221 167 1HB GLU 28 2HB GLU 28 -7.490 -12.050 2.296 168 2HB GLU 28 1HB GLU 28 -9.239 -12.081 2.084 169 1HG GLU 28 2HG GLU 28 -8.295 -14.787 1.836 170 2HG GLU 28 1HG GLU 28 -7.498 -14.067 3.243 171 H ASP 29 H ASP 29 -10.062 -11.474 -0.660 172 HA ASP 29 HA ASP 29 -11.752 -13.903 -1.017 173 1HB ASP 29 2HB ASP 29 -12.288 -11.178 -0.283 174 2HB ASP 29 1HB ASP 29 -13.081 -11.465 -1.836 175 H GLY 30 H GLY 30 -9.407 -12.537 -2.763 176 1HA GLY 30 2HA GLY 30 -8.960 -12.321 -5.032 177 2HA GLY 30 1HA GLY 30 -10.035 -13.710 -5.193 178 H GLU 31 H GLU 31 -11.038 -10.526 -3.976 179 HA GLU 31 HA GLU 31 -12.911 -10.381 -6.296 180 1HB GLU 31 2HB GLU 31 -13.479 -10.197 -3.647 181 2HB GLU 31 1HB GLU 31 -13.222 -8.516 -3.978 182 1HG GLU 31 2HG GLU 31 -15.357 -8.511 -4.631 183 2HG GLU 31 1HG GLU 31 -14.729 -9.160 -6.151 184 H THR 32 H THR 32 -13.296 -7.435 -5.693 185 HA THR 32 HA THR 32 -10.707 -6.244 -6.293 186 HB THR 32 HB THR 32 -12.662 -5.527 -8.405 187 HG1 THR 32 1HG THR 32 -12.721 -7.463 -9.401 188 1HG2 THR 32 1HG2 THR 32 -9.891 -5.468 -7.999 189 2HG2 THR 32 2HG2 THR 32 -10.774 -5.095 -9.484 190 3HG2 THR 32 3HG2 THR 32 -10.140 -6.710 -9.220 191 H VAL 33 H VAL 33 -11.286 -3.800 -7.052 192 HA VAL 33 HA VAL 33 -13.112 -2.805 -4.904 193 HB VAL 33 HB VAL 33 -11.953 -0.666 -5.194 194 1HG1 VAL 33 1HG1 VAL 33 -9.786 -1.329 -4.463 195 2HG1 VAL 33 2HG1 VAL 33 -9.967 -2.955 -5.114 196 3HG1 VAL 33 3HG1 VAL 33 -10.954 -2.425 -3.744 197 1HG2 VAL 33 1HG2 VAL 33 -9.788 -1.272 -6.876 198 2HG2 VAL 33 2HG2 VAL 33 -11.130 -0.205 -7.236 199 3HG2 VAL 33 3HG2 VAL 33 -11.185 -1.877 -7.756 200 H GLY 34 H GLY 34 -13.154 -0.160 -6.577 201 1HA GLY 34 2HA GLY 34 -15.697 -0.197 -7.530 202 2HA GLY 34 1HA GLY 34 -14.435 0.783 -8.277 203 H SER 35 H SER 35 -12.827 -1.019 -9.485 204 HA SER 35 HA SER 35 -13.982 -3.200 -10.831 205 1HB SER 35 2HB SER 35 -14.276 -1.759 -13.125 206 2HB SER 35 1HB SER 35 -15.606 -2.067 -12.009 207 HG SER 35 HG SER 35 -15.452 0.149 -12.451 208 H ASN 36 H ASN 36 -11.841 -0.392 -11.053 209 HA ASN 36 HA ASN 36 -10.138 -1.562 -13.096 210 1HB ASN 36 2HB ASN 36 -9.956 0.795 -11.208 211 2HB ASN 36 1HB ASN 36 -8.524 0.286 -12.112 212 1HD2 ASN 36 1HD2 ASN 36 -8.407 0.833 -14.303 213 2HD2 ASN 36 2HD2 ASN 36 -9.685 1.642 -15.138 214 H SER 37 H SER 37 -10.612 -2.310 -9.824 215 HA SER 37 HA SER 37 -9.485 -3.767 -8.462 216 1HB SER 37 2HB SER 37 -8.037 -5.327 -9.428 217 2HB SER 37 1HB SER 37 -8.790 -4.711 -10.903 218 HG SER 37 HG SER 37 -6.582 -4.580 -11.165 219 H TYR 38 H TYR 38 -6.759 -4.084 -7.988 220 HA TYR 38 HA TYR 38 -5.128 -1.878 -8.048 221 1HB TYR 38 2HB TYR 38 -7.386 -1.125 -6.522 222 2HB TYR 38 1HB TYR 38 -6.141 -1.465 -5.341 223 HD1 TYR 38 1HD TYR 38 -3.710 -0.643 -5.995 224 HD2 TYR 38 2HD TYR 38 -7.371 1.000 -7.468 225 HE1 TYR 38 1HE TYR 38 -2.536 1.477 -6.519 226 HE2 TYR 38 2HE TYR 38 -6.199 3.137 -7.990 227 HH TYR 38 HH TYR 38 -3.560 3.717 -8.530 228 HA PRO 39 HA PRO 39 -3.935 -4.506 -4.229 229 1HB PRO 39 2HB PRO 39 -5.579 -6.589 -3.579 230 2HB PRO 39 1HB PRO 39 -5.697 -4.969 -2.899 231 1HG PRO 39 2HG PRO 39 -7.451 -6.279 -4.930 232 2HG PRO 39 1HG PRO 39 -7.845 -5.002 -3.767 233 1HD PRO 39 2HD PRO 39 -7.322 -4.682 -6.496 234 2HD PRO 39 1HD PRO 39 -7.417 -3.374 -5.312 235 H HIS 40 H HIS 40 -2.275 -5.278 -5.552 236 HA HIS 40 HA HIS 40 -2.614 -8.100 -6.474 237 1HB HIS 40 2HB HIS 40 -0.886 -6.747 -8.365 238 2HB HIS 40 1HB HIS 40 -2.394 -7.619 -8.662 239 HD1 HIS 40 1HD HIS 40 -4.579 -6.274 -8.731 240 HD2 HIS 40 2HD HIS 40 -1.168 -3.942 -8.336 241 HE1 HIS 40 1HE HIS 40 -5.229 -3.930 -9.309 242 HE2 HIS 40 2HE HIS 40 -3.272 -2.446 -8.720 243 H LYS 41 H LYS 41 -0.444 -9.158 -6.843 244 HA LYS 41 HA LYS 41 1.236 -8.671 -4.628 245 1HB LYS 41 2HB LYS 41 2.862 -10.187 -5.667 246 2HB LYS 41 1HB LYS 41 1.226 -10.815 -5.873 247 1HG LYS 41 2HG LYS 41 2.132 -11.059 -7.987 248 2HG LYS 41 1HG LYS 41 1.217 -9.564 -8.137 249 1HD LYS 41 2HD LYS 41 3.869 -8.896 -7.195 250 2HD LYS 41 1HD LYS 41 4.020 -10.045 -8.507 251 1HE LYS 41 2HE LYS 41 1.995 -8.053 -9.175 252 2HE LYS 41 1HE LYS 41 3.549 -7.311 -8.766 253 1HZ LYS 41 1HZ LYS 41 4.646 -8.743 -10.342 254 2HZ LYS 41 2HZ LYS 41 3.408 -7.878 -11.102 255 3HZ LYS 41 3HZ LYS 41 3.181 -9.509 -10.724 256 H TYR 42 H TYR 42 3.417 -7.731 -4.557 257 HA TYR 42 HA TYR 42 3.983 -5.842 -6.802 258 1HB TYR 42 2HB TYR 42 3.072 -4.254 -5.458 259 2HB TYR 42 1HB TYR 42 3.234 -5.214 -3.990 260 HD1 TYR 42 1HD TYR 42 5.709 -5.534 -3.129 261 HD2 TYR 42 2HD TYR 42 4.447 -2.393 -5.731 262 HE1 TYR 42 1HE TYR 42 7.643 -4.221 -2.412 263 HE2 TYR 42 2HE TYR 42 6.404 -1.079 -5.003 264 HH TYR 42 HH TYR 42 8.017 -1.306 -2.470 265 H ASN 43 H ASN 43 6.201 -5.155 -6.911 266 HA ASN 43 HA ASN 43 8.123 -6.677 -5.196 267 1HB ASN 43 2HB ASN 43 8.653 -6.473 -8.176 268 2HB ASN 43 1HB ASN 43 9.226 -7.617 -6.969 269 1HD2 ASN 43 1HD2 ASN 43 8.419 -9.619 -7.419 270 2HD2 ASN 43 2HD2 ASN 43 6.786 -9.913 -7.896 271 H ASN 44 H ASN 44 8.392 -4.547 -8.082 272 HA ASN 44 HA ASN 44 9.215 -2.408 -8.240 273 1HB ASN 44 2HB ASN 44 8.255 -2.372 -5.749 274 2HB ASN 44 1HB ASN 44 9.930 -2.147 -5.321 275 1HD2 ASN 44 1HD2 ASN 44 7.969 -0.967 -8.112 276 2HD2 ASN 44 2HD2 ASN 44 8.375 0.679 -7.813 277 H TYR 45 H TYR 45 11.157 -3.750 -5.524 278 HA TYR 45 HA TYR 45 13.428 -4.192 -5.415 279 1HB TYR 45 2HB TYR 45 13.313 -4.099 -8.472 280 2HB TYR 45 1HB TYR 45 14.643 -4.707 -7.500 281 HD1 TYR 45 1HD TYR 45 11.487 -5.526 -8.998 282 HD2 TYR 45 2HD TYR 45 14.232 -6.618 -5.881 283 HE1 TYR 45 1HE TYR 45 10.444 -7.772 -8.869 284 HE2 TYR 45 2HE TYR 45 13.186 -8.861 -5.742 285 HH TYR 45 HH TYR 45 11.626 -10.320 -7.792 286 H GLU 46 H GLU 46 12.067 -1.388 -6.140 287 HA GLU 46 HA GLU 46 13.700 0.344 -7.414 288 1HB GLU 46 2HB GLU 46 11.641 0.547 -5.547 289 2HB GLU 46 1HB GLU 46 12.984 1.296 -4.734 290 1HG GLU 46 2HG GLU 46 12.819 2.137 -7.526 291 2HG GLU 46 1HG GLU 46 11.351 2.482 -6.613 292 H GLY 47 H GLY 47 14.173 -0.711 -4.045 293 1HA GLY 47 2HA GLY 47 16.891 -1.137 -4.015 294 2HA GLY 47 1HA GLY 47 16.796 0.621 -3.877 295 H PHE 48 H PHE 48 14.486 -1.716 -2.482 296 HA PHE 48 HA PHE 48 15.319 -0.730 0.221 297 1HB PHE 48 2HB PHE 48 12.589 -1.876 -0.378 298 2HB PHE 48 1HB PHE 48 13.086 -0.749 0.894 299 HD1 PHE 48 1HD PHE 48 11.379 -0.966 -2.135 300 HD2 PHE 48 2HD PHE 48 14.213 1.507 -0.058 301 HE1 PHE 48 1HE PHE 48 10.740 0.962 -3.558 302 HE2 PHE 48 2HE PHE 48 13.571 3.436 -1.481 303 HZ PHE 48 HZ PHE 48 11.827 3.154 -3.222 304 H ASP 49 H ASP 49 14.406 -2.469 1.909 305 HA ASP 49 HA ASP 49 15.145 -5.200 0.896 306 1HB ASP 49 2HB ASP 49 15.863 -4.192 3.663 307 2HB ASP 49 1HB ASP 49 16.499 -5.598 2.795 308 H PHE 50 H PHE 50 13.296 -3.259 3.232 309 HA PHE 50 HA PHE 50 11.431 -3.814 4.497 310 1HB PHE 50 2HB PHE 50 11.138 -5.803 2.206 311 2HB PHE 50 1HB PHE 50 9.903 -5.524 3.432 312 HD1 PHE 50 1HD PHE 50 10.636 -2.414 3.597 313 HD2 PHE 50 2HD PHE 50 9.590 -5.114 0.433 314 HE1 PHE 50 1HE PHE 50 9.701 -0.546 2.305 315 HE2 PHE 50 2HE PHE 50 8.617 -3.249 -0.845 316 HZ PHE 50 HZ PHE 50 8.683 -0.955 0.080 317 H SER 51 H SER 51 10.238 -5.855 5.479 318 HA SER 51 HA SER 51 12.234 -7.970 6.165 319 1HB SER 51 2HB SER 51 12.027 -7.648 8.481 320 2HB SER 51 1HB SER 51 12.052 -5.980 7.898 321 HG SER 51 HG SER 51 9.955 -7.447 8.983 322 H VAL 52 H VAL 52 9.623 -7.620 4.576 323 HA VAL 52 HA VAL 52 7.813 -9.415 6.104 324 HB VAL 52 HB VAL 52 7.510 -7.896 3.527 325 1HG1 VAL 52 1HG1 VAL 52 6.043 -9.614 3.062 326 2HG1 VAL 52 2HG1 VAL 52 5.007 -8.683 4.125 327 3HG1 VAL 52 3HG1 VAL 52 5.882 -10.070 4.758 328 1HG2 VAL 52 1HG2 VAL 52 5.767 -6.681 4.857 329 2HG2 VAL 52 2HG2 VAL 52 7.410 -6.470 5.459 330 3HG2 VAL 52 3HG2 VAL 52 6.316 -7.582 6.272 331 H SER 53 H SER 53 8.045 -9.492 2.576 332 HA SER 53 HA SER 53 9.658 -11.876 2.471 333 1HB SER 53 2HB SER 53 6.639 -12.133 2.235 334 2HB SER 53 1HB SER 53 7.768 -13.382 1.708 335 HG SER 53 HG SER 53 7.135 -13.832 3.794 336 H SER 54 H SER 54 8.835 -12.993 0.138 337 HA SER 54 HA SER 54 9.526 -10.968 -1.819 338 1HB SER 54 2HB SER 54 8.446 -13.515 -2.875 339 2HB SER 54 1HB SER 54 9.992 -12.727 -3.123 340 HG SER 54 HG SER 54 10.348 -14.605 -1.982 341 HA PRO 55 HA PRO 55 5.088 -11.820 -3.401 342 1HB PRO 55 2HB PRO 55 3.394 -13.183 -1.730 343 2HB PRO 55 1HB PRO 55 4.416 -13.942 -2.948 344 1HG PRO 55 2HG PRO 55 4.780 -13.865 0.022 345 2HG PRO 55 1HG PRO 55 5.303 -15.098 -1.138 346 1HD PRO 55 2HD PRO 55 6.888 -13.119 0.002 347 2HD PRO 55 1HD PRO 55 7.342 -14.113 -1.369 348 H TYR 56 H TYR 56 5.052 -9.594 -3.018 349 HA TYR 56 HA TYR 56 3.894 -8.621 -0.451 350 1HB TYR 56 2HB TYR 56 5.293 -7.395 -2.792 351 2HB TYR 56 1HB TYR 56 4.307 -6.351 -1.809 352 HD1 TYR 56 1HD TYR 56 7.523 -7.633 -2.220 353 HD2 TYR 56 2HD TYR 56 4.648 -6.646 0.808 354 HE1 TYR 56 1HE TYR 56 9.348 -7.419 -0.556 355 HE2 TYR 56 2HE TYR 56 6.464 -6.459 2.473 356 HH TYR 56 HH TYR 56 9.318 -7.673 2.280 357 H TYR 57 H TYR 57 2.465 -6.452 -1.237 358 HA TYR 57 HA TYR 57 0.648 -7.054 -3.394 359 1HB TYR 57 2HB TYR 57 -0.214 -7.374 -0.506 360 2HB TYR 57 1HB TYR 57 -1.378 -7.120 -1.819 361 HD1 TYR 57 1HD TYR 57 -1.412 -8.723 -3.772 362 HD2 TYR 57 2HD TYR 57 0.751 -9.509 -0.166 363 HE1 TYR 57 1HE TYR 57 -1.299 -11.127 -4.371 364 HE2 TYR 57 2HE TYR 57 0.852 -11.921 -0.735 365 HH TYR 57 HH TYR 57 0.679 -13.205 -3.361 366 H GLU 58 H GLU 58 0.694 -5.036 -4.222 367 HA GLU 58 HA GLU 58 0.928 -2.682 -2.526 368 1HB GLU 58 2HB GLU 58 0.812 -1.430 -4.643 369 2HB GLU 58 1HB GLU 58 1.958 -2.758 -4.745 370 1HG GLU 58 2HG GLU 58 0.820 -3.822 -6.338 371 2HG GLU 58 1HG GLU 58 -0.738 -3.613 -5.563 372 H TRP 59 H TRP 59 -0.608 -1.224 -1.989 373 HA TRP 59 HA TRP 59 -3.278 -1.214 -3.150 374 1HB TRP 59 2HB TRP 59 -3.734 -3.002 -1.626 375 2HB TRP 59 1HB TRP 59 -2.777 -2.240 -0.351 376 HD1 TRP 59 HD TRP 59 -3.910 -0.587 1.212 377 HE1 TRP 59 1HE TRP 59 -6.306 0.312 1.460 378 HE3 TRP 59 3HE TRP 59 -5.949 -2.380 -3.113 379 HZ2 TRP 59 2HZ TRP 59 -8.771 0.270 -0.014 380 HZ3 TRP 59 3HZ TRP 59 -8.295 -1.946 -3.645 381 HH2 TRP 59 HH TRP 59 -9.727 -0.639 -2.143 382 HA PRO 60 HA PRO 60 -2.451 2.978 -1.889 383 1HB PRO 60 2HB PRO 60 -4.968 4.009 -2.297 384 2HB PRO 60 1HB PRO 60 -3.803 3.683 -3.578 385 1HG PRO 60 2HG PRO 60 -6.177 2.056 -2.749 386 2HG PRO 60 1HG PRO 60 -5.530 2.299 -4.378 387 1HD PRO 60 2HD PRO 60 -5.130 0.053 -2.855 388 2HD PRO 60 1HD PRO 60 -4.050 0.539 -4.105 389 H ILE 61 H ILE 61 -2.669 4.267 -0.093 390 HA ILE 61 HA ILE 61 -4.347 3.148 2.120 391 HB ILE 61 HB ILE 61 -2.164 2.988 2.879 392 1HG1 ILE 61 2HG1 ILE 61 -1.800 4.698 4.545 393 2HG1 ILE 61 1HG1 ILE 61 -2.776 5.863 3.660 394 1HG2 ILE 61 1HG2 ILE 61 -0.975 3.932 1.060 395 2HG2 ILE 61 2HG2 ILE 61 -0.474 4.865 2.449 396 3HG2 ILE 61 3HG2 ILE 61 -1.673 5.511 1.324 397 1HD1 ILE 61 1HD1 ILE 61 -4.529 3.775 4.012 398 2HD1 ILE 61 2HD1 ILE 61 -4.430 5.181 5.007 399 3HD1 ILE 61 3HD1 ILE 61 -3.583 3.723 5.467 400 H LEU 62 H LEU 62 -5.990 4.454 2.859 401 HA LEU 62 HA LEU 62 -5.822 7.390 2.246 402 1HB LEU 62 2HB LEU 62 -8.531 6.209 2.531 403 2HB LEU 62 1HB LEU 62 -7.914 7.390 1.368 404 HG LEU 62 HG LEU 62 -7.487 4.383 1.249 405 1HD1 LEU 62 1HD1 LEU 62 -9.735 5.084 0.601 406 2HD1 LEU 62 2HD1 LEU 62 -8.783 4.584 -0.780 407 3HD1 LEU 62 3HD1 LEU 62 -9.062 6.282 -0.507 408 1HD2 LEU 62 1HD2 LEU 62 -6.757 5.673 -1.156 409 2HD2 LEU 62 2HD2 LEU 62 -5.710 4.835 -0.052 410 3HD2 LEU 62 3HD2 LEU 62 -5.951 6.580 0.104 411 H SER 63 H SER 63 -7.058 8.729 3.787 412 HA SER 63 HA SER 63 -7.494 7.394 6.440 413 1HB SER 63 2HB SER 63 -6.064 10.029 5.980 414 2HB SER 63 1HB SER 63 -6.421 9.308 7.549 415 HG SER 63 HG SER 63 -4.565 8.327 7.301 416 H SER 64 H SER 64 -8.972 8.968 3.994 417 HA SER 64 HA SER 64 -10.627 10.703 5.768 418 1HB SER 64 2HB SER 64 -9.691 10.902 3.023 419 2HB SER 64 1HB SER 64 -11.454 10.989 3.071 420 HG SER 64 HG SER 64 -11.353 12.735 4.374 421 H GLY 65 H GLY 65 -11.339 8.752 2.836 422 1HA GLY 65 2HA GLY 65 -13.985 8.089 3.852 423 2HA GLY 65 1HA GLY 65 -13.240 7.460 2.382 424 H ASP 66 H ASP 66 -12.016 5.545 2.496 425 HA ASP 66 HA ASP 66 -11.181 4.269 4.893 426 1HB ASP 66 2HB ASP 66 -13.642 4.113 5.345 427 2HB ASP 66 1HB ASP 66 -13.842 3.228 3.835 428 H VAL 67 H VAL 67 -12.433 3.808 1.586 429 HA VAL 67 HA VAL 67 -10.167 1.913 1.128 430 HB VAL 67 HB VAL 67 -12.915 1.441 -0.068 431 1HG1 VAL 67 1HG1 VAL 67 -10.531 -0.339 0.491 432 2HG1 VAL 67 2HG1 VAL 67 -10.974 0.324 -1.073 433 3HG1 VAL 67 3HG1 VAL 67 -12.016 -0.840 -0.292 434 1HG2 VAL 67 1HG2 VAL 67 -13.291 1.394 2.319 435 2HG2 VAL 67 2HG2 VAL 67 -11.828 0.444 2.583 436 3HG2 VAL 67 3HG2 VAL 67 -13.209 -0.268 1.748 437 H TYR 68 H TYR 68 -9.505 1.834 -1.125 438 HA TYR 68 HA TYR 68 -9.695 4.391 -2.452 439 1HB TYR 68 2HB TYR 68 -7.664 3.213 -2.731 440 2HB TYR 68 1HB TYR 68 -8.477 1.732 -3.265 441 HD1 TYR 68 1HD TYR 68 -9.198 1.469 -5.541 442 HD2 TYR 68 2HD TYR 68 -7.635 5.230 -4.180 443 HE1 TYR 68 1HE TYR 68 -9.085 2.269 -7.887 444 HE2 TYR 68 2HE TYR 68 -7.518 6.030 -6.524 445 HH TYR 68 HH TYR 68 -9.111 4.678 -9.047 446 H SER 69 H SER 69 -11.467 5.007 -3.540 447 HA SER 69 HA SER 69 -12.658 3.178 -5.534 448 1HB SER 69 2HB SER 69 -14.051 2.566 -3.684 449 2HB SER 69 1HB SER 69 -14.182 4.243 -3.136 450 HG SER 69 HG SER 69 -16.045 3.523 -4.311 451 H GLY 70 H GLY 70 -12.852 6.366 -3.911 452 1HA GLY 70 2HA GLY 70 -14.272 7.728 -5.941 453 2HA GLY 70 1HA GLY 70 -13.118 8.488 -4.844 454 H GLY 71 H GLY 71 -10.915 6.668 -5.793 455 1HA GLY 71 2HA GLY 71 -9.673 6.349 -7.823 456 2HA GLY 71 1HA GLY 71 -10.556 7.632 -8.597 457 H SER 72 H SER 72 -8.352 8.451 -9.140 458 HA SER 72 HA SER 72 -6.577 9.910 -8.782 459 1HB SER 72 2HB SER 72 -7.057 11.833 -7.502 460 2HB SER 72 1HB SER 72 -8.663 11.252 -7.955 461 HG SER 72 HG SER 72 -7.421 11.269 -5.469 462 HA PRO 73 HA PRO 73 -5.098 7.317 -5.160 463 1HB PRO 73 2HB PRO 73 -3.631 5.531 -6.622 464 2HB PRO 73 1HB PRO 73 -5.305 5.289 -6.209 465 1HG PRO 73 2HG PRO 73 -4.110 6.047 -8.838 466 2HG PRO 73 1HG PRO 73 -5.623 5.185 -8.511 467 1HD PRO 73 2HD PRO 73 -5.375 7.928 -9.207 468 2HD PRO 73 1HD PRO 73 -6.814 7.100 -8.594 469 H GLY 74 H GLY 74 -2.430 6.402 -5.432 470 1HA GLY 74 2HA GLY 74 -0.253 7.134 -5.914 471 2HA GLY 74 1HA GLY 74 -0.843 8.664 -6.522 472 H ALA 75 H ALA 75 0.996 9.424 -5.006 473 HA ALA 75 HA ALA 75 1.543 10.631 -3.115 474 1HB ALA 75 1HB ALA 75 -1.297 10.074 -2.168 475 2HB ALA 75 2HB ALA 75 -0.838 11.369 -3.248 476 3HB ALA 75 3HB ALA 75 -0.198 11.323 -1.613 477 H ASP 76 H ASP 76 -0.763 8.406 -1.501 478 HA ASP 76 HA ASP 76 1.592 7.227 -0.081 479 1HB ASP 76 2HB ASP 76 -1.252 7.792 0.834 480 2HB ASP 76 1HB ASP 76 -0.154 6.728 1.703 481 H ARG 77 H ARG 77 1.839 5.043 -0.164 482 HA ARG 77 HA ARG 77 -0.424 3.288 -0.868 483 1HB ARG 77 2HB ARG 77 1.900 3.831 -2.740 484 2HB ARG 77 1HB ARG 77 1.041 2.282 -2.774 485 1HG ARG 77 2HG ARG 77 -1.089 3.916 -2.858 486 2HG ARG 77 1HG ARG 77 0.109 5.000 -3.562 487 1HD ARG 77 2HD ARG 77 0.546 2.518 -4.818 488 2HD ARG 77 1HD ARG 77 -1.213 2.673 -4.696 489 HE ARG 77 HE ARG 77 -0.336 5.132 -5.610 490 1HH1 ARG 77 1HH1 ARG 77 0.421 2.018 -6.855 491 2HH1 ARG 77 2HH1 ARG 77 -0.350 2.298 -8.371 492 1HH2 ARG 77 1HH2 ARG 77 -1.582 5.426 -7.519 493 2HH2 ARG 77 2HH2 ARG 77 -1.461 4.226 -8.764 494 H VAL 78 H VAL 78 0.153 2.451 1.256 495 HA VAL 78 HA VAL 78 2.829 1.385 1.687 496 HB VAL 78 HB VAL 78 1.399 2.205 3.549 497 1HG1 VAL 78 1HG1 VAL 78 -0.285 0.232 4.212 498 2HG1 VAL 78 2HG1 VAL 78 -0.458 0.163 2.468 499 3HG1 VAL 78 3HG1 VAL 78 -0.754 1.635 3.319 500 1HG2 VAL 78 1HG2 VAL 78 2.042 -0.758 3.760 501 2HG2 VAL 78 2HG2 VAL 78 1.892 0.378 5.089 502 3HG2 VAL 78 3HG2 VAL 78 3.195 0.541 3.953 503 H VAL 79 H VAL 79 3.377 -0.863 1.792 504 HA VAL 79 HA VAL 79 1.514 -2.616 0.223 505 HB VAL 79 HB VAL 79 4.476 -3.100 0.548 506 1HG1 VAL 79 1HG1 VAL 79 2.303 -4.030 -1.254 507 2HG1 VAL 79 2HG1 VAL 79 3.480 -4.979 -0.375 508 3HG1 VAL 79 3HG1 VAL 79 3.951 -4.089 -1.796 509 1HG2 VAL 79 1HG2 VAL 79 3.113 -1.386 -1.529 510 2HG2 VAL 79 2HG2 VAL 79 4.780 -1.960 -1.628 511 3HG2 VAL 79 3HG2 VAL 79 4.308 -0.855 -0.345 512 H PHE 80 H PHE 80 1.943 -4.998 0.755 513 HA PHE 80 HA PHE 80 2.758 -5.579 3.479 514 1HB PHE 80 2HB PHE 80 0.438 -6.306 4.150 515 2HB PHE 80 1HB PHE 80 0.597 -4.579 3.906 516 HD1 PHE 80 1HD PHE 80 -1.262 -7.436 3.064 517 HD2 PHE 80 2HD PHE 80 0.041 -3.690 1.447 518 HE1 PHE 80 1HE PHE 80 -3.042 -7.523 1.360 519 HE2 PHE 80 2HE PHE 80 -1.715 -3.777 -0.228 520 HZ PHE 80 HZ PHE 80 -3.298 -5.681 -0.283 521 H ASN 81 H ASN 81 1.565 -8.014 3.867 522 HA ASN 81 HA ASN 81 2.187 -9.480 1.326 523 1HB ASN 81 2HB ASN 81 3.929 -9.857 2.894 524 2HB ASN 81 1HB ASN 81 2.822 -10.257 4.194 525 1HD2 ASN 81 1HD2 ASN 81 2.079 -12.429 4.257 526 2HD2 ASN 81 2HD2 ASN 81 2.489 -13.590 3.054 527 H GLU 82 H GLU 82 0.934 -10.745 4.382 528 HA GLU 82 HA GLU 82 -1.723 -11.158 3.113 529 1HB GLU 82 2HB GLU 82 0.105 -13.328 4.196 530 2HB GLU 82 1HB GLU 82 -1.632 -13.565 3.968 531 1HG GLU 82 2HG GLU 82 -1.336 -12.859 1.564 532 2HG GLU 82 1HG GLU 82 0.413 -12.903 1.840 533 H ASN 83 H ASN 83 0.105 -10.378 5.893 534 HA ASN 83 HA ASN 83 -2.383 -10.580 7.519 535 1HB ASN 83 2HB ASN 83 -0.212 -12.207 7.959 536 2HB ASN 83 1HB ASN 83 0.211 -10.827 8.977 537 1HD2 ASN 83 1HD2 ASN 83 -2.630 -12.914 8.250 538 2HD2 ASN 83 2HD2 ASN 83 -3.187 -12.919 9.884 539 H ASN 84 H ASN 84 -1.010 -8.398 5.939 540 HA ASN 84 HA ASN 84 -0.621 -6.139 6.222 541 1HB ASN 84 2HB ASN 84 -1.605 -6.400 9.083 542 2HB ASN 84 1HB ASN 84 -1.766 -5.039 7.973 543 1HD2 ASN 84 1HD2 ASN 84 -2.668 -6.478 5.650 544 2HD2 ASN 84 2HD2 ASN 84 -4.232 -7.043 6.042 545 H GLN 85 H GLN 85 1.338 -8.282 7.168 546 HA GLN 85 HA GLN 85 2.782 -7.616 9.443 547 1HB GLN 85 2HB GLN 85 4.437 -7.973 6.966 548 2HB GLN 85 1HB GLN 85 4.565 -8.748 8.552 549 1HG GLN 85 2HG GLN 85 2.260 -9.861 7.818 550 2HG GLN 85 1HG GLN 85 2.865 -9.465 6.195 551 1HE2 GLN 85 1HE2 GLN 85 5.729 -9.820 7.178 552 2HE2 GLN 85 2HE2 GLN 85 5.889 -11.524 7.312 553 H LEU 86 H LEU 86 2.495 -5.888 6.410 554 HA LEU 86 HA LEU 86 2.762 -3.650 6.064 555 1HB LEU 86 2HB LEU 86 2.889 -3.595 8.766 556 2HB LEU 86 1HB LEU 86 4.579 -3.210 8.429 557 HG LEU 86 HG LEU 86 3.477 -1.117 8.536 558 1HD1 LEU 86 1HD1 LEU 86 3.479 -1.774 5.569 559 2HD1 LEU 86 2HD1 LEU 86 4.945 -1.478 6.519 560 3HD1 LEU 86 3HD1 LEU 86 3.742 -0.221 6.344 561 1HD2 LEU 86 1HD2 LEU 86 1.174 -2.044 8.415 562 2HD2 LEU 86 2HD2 LEU 86 1.376 -2.260 6.680 563 3HD2 LEU 86 3HD2 LEU 86 1.390 -0.643 7.370 564 H ALA 87 H ALA 87 4.041 -3.713 4.280 565 HA ALA 87 HA ALA 87 6.852 -4.571 4.398 566 1HB ALA 87 1HB ALA 87 6.861 -4.249 2.053 567 2HB ALA 87 2HB ALA 87 5.550 -3.085 2.117 568 3HB ALA 87 3HB ALA 87 5.209 -4.784 2.389 569 H GLY 88 H GLY 88 4.974 -1.595 4.272 570 1HA GLY 88 2HA GLY 88 6.334 0.211 5.612 571 2HA GLY 88 1HA GLY 88 7.457 0.052 4.261 572 H VAL 89 H VAL 89 5.705 2.351 5.103 573 HA VAL 89 HA VAL 89 3.699 2.548 2.985 574 HB VAL 89 HB VAL 89 4.763 4.668 4.845 575 1HG1 VAL 89 1HG1 VAL 89 2.326 4.566 3.052 576 2HG1 VAL 89 2HG1 VAL 89 3.695 5.669 2.906 577 3HG1 VAL 89 3HG1 VAL 89 2.606 5.801 4.279 578 1HG2 VAL 89 1HG2 VAL 89 3.715 2.763 6.035 579 2HG2 VAL 89 2HG2 VAL 89 2.291 2.934 5.026 580 3HG2 VAL 89 3HG2 VAL 89 2.723 4.210 6.144 581 H ILE 90 H ILE 90 4.252 3.047 0.923 582 HA ILE 90 HA ILE 90 6.798 4.579 0.464 583 HB ILE 90 HB ILE 90 6.375 3.763 -1.971 584 1HG1 ILE 90 2HG1 ILE 90 4.575 1.923 -0.367 585 2HG1 ILE 90 1HG1 ILE 90 4.174 2.843 -1.834 586 1HG2 ILE 90 1HG2 ILE 90 7.091 1.602 0.001 587 2HG2 ILE 90 2HG2 ILE 90 8.131 2.994 -0.274 588 3HG2 ILE 90 3HG2 ILE 90 7.774 1.908 -1.598 589 1HD1 ILE 90 1HD1 ILE 90 5.721 0.322 -1.478 590 2HD1 ILE 90 2HD1 ILE 90 6.086 1.319 -2.856 591 3HD1 ILE 90 3HD1 ILE 90 4.464 0.700 -2.640 592 H THR 91 H THR 91 6.454 5.949 -1.769 593 HA THR 91 HA THR 91 3.781 7.222 -1.550 594 HB THR 91 HB THR 91 5.724 8.345 -0.218 595 HG1 THR 91 1HG THR 91 4.796 10.474 -1.137 596 1HG2 THR 91 1HG2 THR 91 6.282 9.542 -2.914 597 2HG2 THR 91 2HG2 THR 91 7.264 8.270 -2.210 598 3HG2 THR 91 3HG2 THR 91 7.126 9.824 -1.404 599 H HIS 92 H HIS 92 2.902 7.853 -3.435 600 HA HIS 92 HA HIS 92 4.351 7.305 -5.930 601 1HB HIS 92 2HB HIS 92 1.609 7.449 -5.058 602 2HB HIS 92 1HB HIS 92 1.800 8.431 -6.515 603 HD1 HIS 92 1HD HIS 92 2.715 4.958 -5.241 604 HD2 HIS 92 2HD HIS 92 1.605 6.901 -8.750 605 HE1 HIS 92 1HE HIS 92 2.398 3.170 -6.994 606 HE2 HIS 92 2HE HIS 92 2.195 4.403 -9.205 607 H THR 93 H THR 93 5.794 9.251 -5.000 608 HA THR 93 HA THR 93 5.372 11.492 -6.742 609 HB THR 93 HB THR 93 3.590 11.877 -4.904 610 HG1 THR 93 1HG THR 93 5.600 13.880 -5.201 611 1HG2 THR 93 1HG2 THR 93 5.373 11.149 -3.130 612 2HG2 THR 93 2HG2 THR 93 4.233 12.414 -2.764 613 3HG2 THR 93 3HG2 THR 93 5.873 12.829 -3.222 614 H GLY 94 H GLY 94 7.512 9.627 -5.582 615 1HA GLY 94 2HA GLY 94 9.419 11.750 -4.642 616 2HA GLY 94 1HA GLY 94 9.494 10.064 -4.168 617 H ALA 95 H ALA 95 8.564 10.328 -7.413 618 HA ALA 95 HA ALA 95 11.317 10.456 -8.471 619 1HB ALA 95 1HB ALA 95 11.644 8.265 -8.656 620 2HB ALA 95 2HB ALA 95 10.149 8.057 -9.530 621 3HB ALA 95 3HB ALA 95 10.172 7.961 -7.761 622 H SER 96 H SER 96 10.994 9.654 -10.993 623 HA SER 96 HA SER 96 9.699 11.662 -12.341 624 1HB SER 96 2HB SER 96 11.093 9.611 -13.221 625 2HB SER 96 1HB SER 96 9.511 8.873 -13.495 626 HG SER 96 HG SER 96 9.016 10.461 -14.926 627 H GLY 97 H GLY 97 7.605 12.345 -12.137 628 1HA GLY 97 2HA GLY 97 5.264 12.238 -12.235 629 2HA GLY 97 1HA GLY 97 5.389 10.533 -12.673 630 H ASN 98 H ASN 98 5.763 8.981 -10.889 631 HA ASN 98 HA ASN 98 5.088 10.052 -8.185 632 1HB ASN 98 2HB ASN 98 3.728 7.619 -8.362 633 2HB ASN 98 1HB ASN 98 2.997 9.202 -8.327 634 1HD2 ASN 98 1HD2 ASN 98 2.876 10.312 -10.555 635 2HD2 ASN 98 2HD2 ASN 98 2.512 9.279 -11.886 636 H ASN 99 H ASN 99 5.335 6.715 -9.471 637 HA ASN 99 HA ASN 99 6.742 4.990 -8.816 638 1HB ASN 99 2HB ASN 99 8.474 7.420 -8.615 639 2HB ASN 99 1HB ASN 99 9.114 5.919 -7.971 640 1HD2 ASN 99 1HD2 ASN 99 6.948 6.214 -10.805 641 2HD2 ASN 99 2HD2 ASN 99 8.122 5.625 -11.897 642 H PHE 100 H PHE 100 7.508 3.923 -6.798 643 HA PHE 100 HA PHE 100 6.461 5.386 -4.401 644 1HB PHE 100 2HB PHE 100 6.612 2.666 -3.778 645 2HB PHE 100 1HB PHE 100 5.157 3.631 -4.007 646 HD1 PHE 100 1HD PHE 100 4.659 4.108 -6.611 647 HD2 PHE 100 2HD PHE 100 6.808 0.767 -5.046 648 HE1 PHE 100 1HE PHE 100 4.061 2.791 -8.641 649 HE2 PHE 100 2HE PHE 100 6.205 -0.565 -7.062 650 HZ PHE 100 HZ PHE 100 4.859 0.458 -8.863 651 H VAL 101 H VAL 101 7.990 6.017 -3.046 652 HA VAL 101 HA VAL 101 10.365 4.258 -2.642 653 HB VAL 101 HB VAL 101 11.404 6.669 -2.001 654 1HG1 VAL 101 1HG1 VAL 101 11.167 5.457 -4.774 655 2HG1 VAL 101 2HG1 VAL 101 12.432 5.183 -3.576 656 3HG1 VAL 101 3HG1 VAL 101 12.293 6.751 -4.351 657 1HG2 VAL 101 1HG2 VAL 101 9.466 7.296 -4.262 658 2HG2 VAL 101 2HG2 VAL 101 10.616 8.383 -3.491 659 3HG2 VAL 101 3HG2 VAL 101 9.234 7.794 -2.584 660 H GLU 102 H GLU 102 10.886 3.887 -0.484 661 HA GLU 102 HA GLU 102 8.966 3.957 1.469 662 1HB GLU 102 2HB GLU 102 10.667 3.665 3.117 663 2HB GLU 102 1HB GLU 102 11.308 2.963 1.631 664 1HG GLU 102 2HG GLU 102 13.092 4.249 1.863 665 2HG GLU 102 1HG GLU 102 12.126 5.656 1.480 666 H CYS 103 H CYS 103 8.135 5.408 2.943 667 HA CYS 103 HA CYS 103 8.124 8.157 2.322 668 1HB CYS 103 2HB CYS 103 6.687 6.575 4.042 669 2HB CYS 103 1HB CYS 103 7.679 7.458 5.209 670 H THR 104 H THR 104 9.939 9.416 2.334 671 HA THR 104 HA THR 104 11.872 9.062 4.606 672 HB THR 104 HB THR 104 13.246 10.601 2.836 673 HG1 THR 104 1HG THR 104 11.697 8.946 1.111 674 1HG2 THR 104 1HG2 THR 104 12.952 7.648 2.352 675 2HG2 THR 104 2HG2 THR 104 13.759 8.271 3.794 676 3HG2 THR 104 3HG2 THR 104 14.389 8.647 2.191 Start of MODEL 18 1 1H ALA 1 1HT ALA 1 -1.407 8.456 16.360 2 2H ALA 1 2HT ALA 1 -1.393 10.176 16.355 3 3H ALA 1 3HT ALA 1 -0.988 9.322 17.783 4 HA ALA 1 HA ALA 1 0.970 10.195 16.732 5 1HB ALA 1 1HB ALA 1 1.039 8.038 17.964 6 2HB ALA 1 2HB ALA 1 2.229 8.103 16.669 7 3HB ALA 1 3HB ALA 1 0.740 7.181 16.453 8 H CYS 2 H CYS 2 2.567 9.143 14.845 9 HA CYS 2 HA CYS 2 1.473 8.310 12.415 10 1HB CYS 2 2HB CYS 2 1.498 10.506 11.167 11 2HB CYS 2 1HB CYS 2 0.155 10.354 12.288 12 H ASP 3 H ASP 3 3.418 7.256 12.100 13 HA ASP 3 HA ASP 3 5.895 8.930 12.062 14 1HB ASP 3 2HB ASP 3 5.838 6.796 13.417 15 2HB ASP 3 1HB ASP 3 5.670 5.898 11.903 16 H TYR 4 H TYR 4 3.543 7.644 9.954 17 HA TYR 4 HA TYR 4 5.504 7.576 7.700 18 1HB TYR 4 2HB TYR 4 2.699 6.439 8.015 19 2HB TYR 4 1HB TYR 4 3.570 6.461 6.481 20 HD1 TYR 4 1HD TYR 4 6.328 5.884 7.227 21 HD2 TYR 4 2HD TYR 4 2.664 4.177 8.687 22 HE1 TYR 4 1HE TYR 4 7.545 3.837 7.866 23 HE2 TYR 4 2HE TYR 4 3.887 2.112 9.322 24 HH TYR 4 HH TYR 4 6.553 1.115 8.228 25 H THR 5 H THR 5 5.621 9.899 7.670 26 HA THR 5 HA THR 5 3.132 11.332 6.974 27 HB THR 5 HB THR 5 4.591 13.361 7.030 28 HG1 THR 5 1HG THR 5 6.723 11.603 7.703 29 1HG2 THR 5 1HG2 THR 5 5.624 12.341 9.463 30 2HG2 THR 5 2HG2 THR 5 4.060 11.566 9.224 31 3HG2 THR 5 3HG2 THR 5 4.186 13.322 9.222 32 H CYS 6 H CYS 6 2.567 11.848 4.901 33 HA CYS 6 HA CYS 6 4.665 11.815 2.783 34 1HB CYS 6 2HB CYS 6 2.064 10.387 2.388 35 2HB CYS 6 1HB CYS 6 3.541 10.233 1.436 36 H GLY 7 H GLY 7 3.934 12.931 0.820 37 1HA GLY 7 2HA GLY 7 3.002 14.893 -0.094 38 2HA GLY 7 1HA GLY 7 1.473 14.122 0.338 39 H SER 8 H SER 8 3.926 15.111 2.698 40 HA SER 8 HA SER 8 3.869 16.708 4.361 41 1HB SER 8 2HB SER 8 2.383 17.958 2.145 42 2HB SER 8 1HB SER 8 1.833 18.526 3.710 43 HG SER 8 HG SER 8 3.603 19.706 2.864 44 H ASN 9 H ASN 9 2.520 14.383 4.903 45 HA ASN 9 HA ASN 9 0.202 15.392 6.503 46 1HB ASN 9 2HB ASN 9 0.260 12.907 4.747 47 2HB ASN 9 1HB ASN 9 -0.991 13.232 5.947 48 1HD2 ASN 9 1HD2 ASN 9 -1.489 15.937 5.625 49 2HD2 ASN 9 2HD2 ASN 9 -2.033 16.216 4.017 50 H CYS 10 H CYS 10 -0.471 13.632 8.130 51 HA CYS 10 HA CYS 10 1.970 12.221 9.138 52 1HB CYS 10 2HB CYS 10 0.858 14.457 10.332 53 2HB CYS 10 1HB CYS 10 0.028 13.168 11.199 54 H TYR 11 H TYR 11 1.053 10.366 8.043 55 HA TYR 11 HA TYR 11 -1.590 9.415 8.856 56 1HB TYR 11 2HB TYR 11 0.536 8.577 6.959 57 2HB TYR 11 1HB TYR 11 -0.366 7.239 7.664 58 HD1 TYR 11 1HD TYR 11 -0.632 10.357 5.694 59 HD2 TYR 11 2HD TYR 11 -2.677 6.878 7.166 60 HE1 TYR 11 1HE TYR 11 -2.529 10.827 4.168 61 HE2 TYR 11 2HE TYR 11 -4.570 7.340 5.635 62 HH TYR 11 HH TYR 11 -4.611 8.894 3.134 63 H SER 12 H SER 12 -2.060 7.882 10.384 64 HA SER 12 HA SER 12 -0.010 7.330 12.386 65 1HB SER 12 2HB SER 12 -2.625 7.723 12.636 66 2HB SER 12 1HB SER 12 -2.671 5.973 12.492 67 HG SER 12 HG SER 12 -1.443 5.783 14.300 68 H SER 13 H SER 13 1.305 5.576 12.379 69 HA SER 13 HA SER 13 1.353 3.648 10.342 70 1HB SER 13 2HB SER 13 3.286 3.431 11.543 71 2HB SER 13 1HB SER 13 2.502 3.844 13.073 72 HG SER 13 HG SER 13 3.197 1.603 12.866 73 H SER 14 H SER 14 -0.765 3.878 13.102 74 HA SER 14 HA SER 14 -1.609 1.084 12.988 75 1HB SER 14 2HB SER 14 -1.640 2.670 15.040 76 2HB SER 14 1HB SER 14 -3.127 3.327 14.347 77 HG SER 14 HG SER 14 -3.372 1.502 15.846 78 H ASP 15 H ASP 15 -2.778 4.218 11.801 79 HA ASP 15 HA ASP 15 -5.301 3.233 10.856 80 1HB ASP 15 2HB ASP 15 -5.038 5.617 11.166 81 2HB ASP 15 1HB ASP 15 -3.653 5.652 10.066 82 H VAL 16 H VAL 16 -2.049 3.465 9.557 83 HA VAL 16 HA VAL 16 -2.626 2.914 6.846 84 HB VAL 16 HB VAL 16 -0.192 1.843 8.298 85 1HG1 VAL 16 1HG1 VAL 16 -0.673 2.886 5.483 86 2HG1 VAL 16 2HG1 VAL 16 -0.436 1.203 5.946 87 3HG1 VAL 16 3HG1 VAL 16 0.885 2.357 6.121 88 1HG2 VAL 16 1HG2 VAL 16 0.720 4.196 7.535 89 2HG2 VAL 16 2HG2 VAL 16 -0.139 4.025 9.037 90 3HG2 VAL 16 3HG2 VAL 16 -0.974 4.675 7.643 91 H SER 17 H SER 17 -2.215 0.797 9.655 92 HA SER 17 HA SER 17 -2.299 -1.688 8.256 93 1HB SER 17 2HB SER 17 -1.817 -1.065 10.802 94 2HB SER 17 1HB SER 17 -3.521 -1.489 10.986 95 HG SER 17 HG SER 17 -3.090 -3.526 10.299 96 H THR 18 H THR 18 -4.839 0.517 9.347 97 HA THR 18 HA THR 18 -7.022 -1.323 8.992 98 HB THR 18 HB THR 18 -7.827 1.420 8.398 99 HG1 THR 18 1HG THR 18 -6.267 1.183 10.775 100 1HG2 THR 18 1HG2 THR 18 -9.214 -0.292 9.499 101 2HG2 THR 18 2HG2 THR 18 -9.056 1.157 10.489 102 3HG2 THR 18 3HG2 THR 18 -8.119 -0.283 10.884 103 H ALA 19 H ALA 19 -5.832 1.340 6.930 104 HA ALA 19 HA ALA 19 -7.409 0.596 4.647 105 1HB ALA 19 1HB ALA 19 -4.789 1.821 4.075 106 2HB ALA 19 2HB ALA 19 -5.774 2.694 5.267 107 3HB ALA 19 3HB ALA 19 -6.413 2.361 3.669 108 H GLN 20 H GLN 20 -4.588 -0.761 6.103 109 HA GLN 20 HA GLN 20 -3.591 -2.023 3.724 110 1HB GLN 20 2HB GLN 20 -2.666 -1.669 6.377 111 2HB GLN 20 1HB GLN 20 -2.790 -3.400 6.187 112 1HG GLN 20 2HG GLN 20 -1.161 -1.443 4.635 113 2HG GLN 20 1HG GLN 20 -0.625 -2.896 5.460 114 1HE2 GLN 20 1HE2 GLN 20 -1.461 -1.707 2.399 115 2HE2 GLN 20 2HE2 GLN 20 -1.776 -3.188 1.641 116 H ALA 21 H ALA 21 -5.752 -2.899 6.372 117 HA ALA 21 HA ALA 21 -6.000 -5.685 5.573 118 1HB ALA 21 1HB ALA 21 -7.919 -5.699 7.133 119 2HB ALA 21 2HB ALA 21 -7.816 -3.942 7.274 120 3HB ALA 21 3HB ALA 21 -6.500 -4.954 7.868 121 H ALA 22 H ALA 22 -7.023 -2.785 4.178 122 HA ALA 22 HA ALA 22 -9.585 -3.744 3.156 123 1HB ALA 22 1HB ALA 22 -9.341 -1.377 3.596 124 2HB ALA 22 2HB ALA 22 -9.479 -1.609 1.860 125 3HB ALA 22 3HB ALA 22 -7.915 -1.291 2.570 126 H GLY 23 H GLY 23 -6.392 -2.877 1.734 127 1HA GLY 23 2HA GLY 23 -7.004 -3.991 -0.865 128 2HA GLY 23 1HA GLY 23 -5.402 -3.618 -0.249 129 H TYR 24 H TYR 24 -5.773 -5.296 2.150 130 HA TYR 24 HA TYR 24 -4.786 -7.768 0.977 131 1HB TYR 24 2HB TYR 24 -3.761 -7.189 3.032 132 2HB TYR 24 1HB TYR 24 -5.310 -6.790 3.789 133 HD1 TYR 24 1HD TYR 24 -4.651 -9.826 1.731 134 HD2 TYR 24 2HD TYR 24 -5.144 -8.227 5.691 135 HE1 TYR 24 1HE TYR 24 -4.836 -12.115 2.638 136 HE2 TYR 24 2HE TYR 24 -5.292 -10.527 6.600 137 HH TYR 24 HH TYR 24 -4.284 -13.044 5.467 138 H GLN 25 H GLN 25 -7.570 -7.114 3.162 139 HA GLN 25 HA GLN 25 -8.758 -9.670 2.810 140 1HB GLN 25 2HB GLN 25 -9.757 -6.969 3.651 141 2HB GLN 25 1HB GLN 25 -10.959 -8.187 3.266 142 1HG GLN 25 2HG GLN 25 -10.406 -9.562 4.993 143 2HG GLN 25 1HG GLN 25 -8.719 -9.019 5.061 144 1HE2 GLN 25 1HE2 GLN 25 -8.948 -8.625 7.380 145 2HE2 GLN 25 2HE2 GLN 25 -9.811 -7.232 7.928 146 H LEU 26 H LEU 26 -8.873 -6.767 0.804 147 HA LEU 26 HA LEU 26 -11.017 -7.749 -0.888 148 1HB LEU 26 2HB LEU 26 -10.158 -5.303 -0.591 149 2HB LEU 26 1HB LEU 26 -8.901 -5.743 -1.750 150 HG LEU 26 HG LEU 26 -10.901 -6.609 -3.220 151 1HD1 LEU 26 1HD1 LEU 26 -12.690 -6.515 -1.653 152 2HD1 LEU 26 2HD1 LEU 26 -12.964 -5.152 -2.737 153 3HD1 LEU 26 3HD1 LEU 26 -12.272 -4.880 -1.144 154 1HD2 LEU 26 1HD2 LEU 26 -9.936 -4.824 -4.214 155 2HD2 LEU 26 2HD2 LEU 26 -9.899 -3.850 -2.753 156 3HD2 LEU 26 3HD2 LEU 26 -11.379 -3.986 -3.682 157 H HIS 27 H HIS 27 -7.531 -8.085 -0.770 158 HA HIS 27 HA HIS 27 -7.302 -9.193 -3.456 159 1HB HIS 27 2HB HIS 27 -5.363 -8.081 -2.478 160 2HB HIS 27 1HB HIS 27 -5.399 -9.159 -1.084 161 HD1 HIS 27 1HD HIS 27 -5.737 -10.128 -4.743 162 HD2 HIS 27 2HD HIS 27 -3.149 -10.689 -1.527 163 HE1 HIS 27 1HE HIS 27 -4.008 -11.805 -5.504 164 HE2 HIS 27 2HE HIS 27 -2.673 -12.387 -3.441 165 H GLU 28 H GLU 28 -8.068 -10.390 -0.274 166 HA GLU 28 HA GLU 28 -7.444 -13.186 -1.000 167 1HB GLU 28 2HB GLU 28 -7.029 -12.419 1.296 168 2HB GLU 28 1HB GLU 28 -8.731 -11.980 1.484 169 1HG GLU 28 2HG GLU 28 -8.069 -14.788 0.618 170 2HG GLU 28 1HG GLU 28 -7.807 -14.331 2.306 171 H ASP 29 H ASP 29 -10.235 -11.026 -0.702 172 HA ASP 29 HA ASP 29 -12.148 -13.221 -1.005 173 1HB ASP 29 2HB ASP 29 -12.421 -10.795 0.104 174 2HB ASP 29 1HB ASP 29 -12.924 -10.354 -1.532 175 H GLY 30 H GLY 30 -10.176 -11.379 -3.127 176 1HA GLY 30 2HA GLY 30 -9.972 -11.612 -5.444 177 2HA GLY 30 1HA GLY 30 -11.380 -12.674 -5.452 178 H GLU 31 H GLU 31 -11.242 -9.391 -4.082 179 HA GLU 31 HA GLU 31 -13.351 -8.650 -6.026 180 1HB GLU 31 2HB GLU 31 -13.155 -8.322 -3.207 181 2HB GLU 31 1HB GLU 31 -12.991 -6.732 -3.891 182 1HG GLU 31 2HG GLU 31 -15.262 -8.630 -4.251 183 2HG GLU 31 1HG GLU 31 -15.294 -6.990 -3.585 184 H THR 32 H THR 32 -13.087 -5.806 -5.614 185 HA THR 32 HA THR 32 -10.402 -4.960 -6.162 186 HB THR 32 HB THR 32 -11.182 -4.164 -8.593 187 HG1 THR 32 1HG THR 32 -12.713 -5.424 -9.480 188 1HG2 THR 32 1HG2 THR 32 -9.337 -5.869 -7.872 189 2HG2 THR 32 2HG2 THR 32 -10.002 -5.933 -9.500 190 3HG2 THR 32 3HG2 THR 32 -10.542 -7.074 -8.329 191 H VAL 33 H VAL 33 -10.823 -2.563 -7.411 192 HA VAL 33 HA VAL 33 -13.035 -1.311 -5.809 193 HB VAL 33 HB VAL 33 -11.573 0.630 -5.499 194 1HG1 VAL 33 1HG1 VAL 33 -9.847 -0.554 -4.035 195 2HG1 VAL 33 2HG1 VAL 33 -10.511 -2.066 -4.591 196 3HG1 VAL 33 3HG1 VAL 33 -11.524 -0.939 -3.690 197 1HG2 VAL 33 1HG2 VAL 33 -10.175 0.400 -7.501 198 2HG2 VAL 33 2HG2 VAL 33 -9.477 -1.087 -6.864 199 3HG2 VAL 33 3HG2 VAL 33 -9.173 0.441 -6.063 200 H GLY 34 H GLY 34 -14.021 0.530 -6.741 201 1HA GLY 34 2HA GLY 34 -15.016 1.621 -8.557 202 2HA GLY 34 1HA GLY 34 -13.353 1.872 -9.088 203 H SER 35 H SER 35 -12.445 0.392 -10.577 204 HA SER 35 HA SER 35 -13.794 -1.950 -11.555 205 1HB SER 35 2HB SER 35 -15.052 0.341 -12.461 206 2HB SER 35 1HB SER 35 -13.908 0.042 -13.760 207 HG SER 35 HG SER 35 -15.935 -1.069 -13.990 208 H ASN 36 H ASN 36 -11.087 -0.839 -10.881 209 HA ASN 36 HA ASN 36 -9.717 -1.760 -13.354 210 1HB ASN 36 2HB ASN 36 -9.545 0.909 -12.042 211 2HB ASN 36 1HB ASN 36 -7.982 0.173 -12.394 212 1HD2 ASN 36 1HD2 ASN 36 -9.840 2.371 -13.713 213 2HD2 ASN 36 2HD2 ASN 36 -9.672 1.971 -15.385 214 H SER 37 H SER 37 -10.379 -2.861 -10.597 215 HA SER 37 HA SER 37 -9.269 -3.972 -8.906 216 1HB SER 37 2HB SER 37 -7.323 -5.335 -9.683 217 2HB SER 37 1HB SER 37 -8.631 -5.360 -10.859 218 HG SER 37 HG SER 37 -6.679 -4.897 -11.892 219 H TYR 38 H TYR 38 -6.615 -4.284 -8.226 220 HA TYR 38 HA TYR 38 -4.946 -2.136 -8.319 221 1HB TYR 38 2HB TYR 38 -7.300 -1.293 -6.943 222 2HB TYR 38 1HB TYR 38 -6.067 -1.503 -5.718 223 HD1 TYR 38 1HD TYR 38 -5.607 -0.537 -9.307 224 HD2 TYR 38 2HD TYR 38 -5.426 0.647 -5.227 225 HE1 TYR 38 1HE TYR 38 -4.507 1.551 -9.984 226 HE2 TYR 38 2HE TYR 38 -4.299 2.784 -5.878 227 HH TYR 38 HH TYR 38 -4.383 4.111 -8.645 228 HA PRO 39 HA PRO 39 -3.948 -4.530 -4.340 229 1HB PRO 39 2HB PRO 39 -5.615 -6.586 -3.674 230 2HB PRO 39 1HB PRO 39 -5.774 -4.946 -3.069 231 1HG PRO 39 2HG PRO 39 -7.423 -6.362 -5.117 232 2HG PRO 39 1HG PRO 39 -7.871 -5.039 -4.030 233 1HD PRO 39 2HD PRO 39 -7.238 -4.827 -6.747 234 2HD PRO 39 1HD PRO 39 -7.386 -3.470 -5.625 235 H HIS 40 H HIS 40 -2.244 -5.356 -5.548 236 HA HIS 40 HA HIS 40 -2.516 -8.215 -6.336 237 1HB HIS 40 2HB HIS 40 -0.738 -6.921 -8.235 238 2HB HIS 40 1HB HIS 40 -2.207 -7.857 -8.535 239 HD1 HIS 40 1HD HIS 40 -4.411 -6.594 -8.795 240 HD2 HIS 40 2HD HIS 40 -1.111 -4.109 -8.312 241 HE1 HIS 40 1HE HIS 40 -5.116 -4.308 -9.538 242 HE2 HIS 40 2HE HIS 40 -3.096 -2.834 -9.399 243 H LYS 41 H LYS 41 0.032 -8.715 -7.193 244 HA LYS 41 HA LYS 41 1.463 -8.565 -4.694 245 1HB LYS 41 2HB LYS 41 2.893 -10.135 -5.567 246 2HB LYS 41 1HB LYS 41 1.502 -10.399 -6.624 247 1HG LYS 41 2HG LYS 41 2.472 -8.963 -8.334 248 2HG LYS 41 1HG LYS 41 3.851 -8.581 -7.301 249 1HD LYS 41 2HD LYS 41 3.207 -11.450 -7.965 250 2HD LYS 41 1HD LYS 41 4.114 -10.432 -9.090 251 1HE LYS 41 2HE LYS 41 5.734 -9.903 -7.280 252 2HE LYS 41 1HE LYS 41 4.857 -11.011 -6.213 253 1HZ LYS 41 1HZ LYS 41 5.314 -12.814 -7.766 254 2HZ LYS 41 2HZ LYS 41 6.753 -12.095 -7.251 255 3HZ LYS 41 3HZ LYS 41 6.150 -11.754 -8.791 256 H TYR 42 H TYR 42 3.743 -7.781 -4.566 257 HA TYR 42 HA TYR 42 4.394 -5.544 -6.406 258 1HB TYR 42 2HB TYR 42 3.178 -4.481 -4.560 259 2HB TYR 42 1HB TYR 42 4.200 -5.294 -3.375 260 HD1 TYR 42 1HD TYR 42 6.211 -4.302 -2.680 261 HD2 TYR 42 2HD TYR 42 4.344 -2.981 -6.311 262 HE1 TYR 42 1HE TYR 42 7.858 -2.462 -2.847 263 HE2 TYR 42 2HE TYR 42 6.000 -1.173 -6.477 264 HH TYR 42 HH TYR 42 7.887 -0.078 -4.019 265 H ASN 43 H ASN 43 6.178 -6.769 -7.143 266 HA ASN 43 HA ASN 43 8.026 -7.947 -5.193 267 1HB ASN 43 2HB ASN 43 7.432 -8.429 -7.881 268 2HB ASN 43 1HB ASN 43 9.031 -7.697 -7.971 269 1HD2 ASN 43 1HD2 ASN 43 7.523 -9.893 -5.538 270 2HD2 ASN 43 2HD2 ASN 43 8.792 -11.051 -5.652 271 H ASN 44 H ASN 44 7.762 -5.101 -4.858 272 HA ASN 44 HA ASN 44 9.029 -3.135 -4.863 273 1HB ASN 44 2HB ASN 44 11.602 -4.271 -4.343 274 2HB ASN 44 1HB ASN 44 10.456 -3.599 -3.196 275 1HD2 ASN 44 1HD2 ASN 44 11.456 -6.595 -4.806 276 2HD2 ASN 44 2HD2 ASN 44 10.738 -7.630 -3.624 277 H TYR 45 H TYR 45 11.748 -2.708 -5.476 278 HA TYR 45 HA TYR 45 12.713 -3.688 -7.844 279 1HB TYR 45 2HB TYR 45 10.256 -2.203 -8.338 280 2HB TYR 45 1HB TYR 45 11.588 -1.283 -8.995 281 HD1 TYR 45 1HD TYR 45 9.259 -3.232 -10.203 282 HD2 TYR 45 2HD TYR 45 13.539 -3.298 -9.794 283 HE1 TYR 45 1HE TYR 45 9.427 -4.721 -12.179 284 HE2 TYR 45 2HE TYR 45 13.706 -4.788 -11.757 285 HH TYR 45 HH TYR 45 11.757 -6.593 -12.903 286 H GLU 46 H GLU 46 11.862 -0.326 -6.978 287 HA GLU 46 HA GLU 46 14.153 0.987 -7.595 288 1HB GLU 46 2HB GLU 46 11.940 1.504 -6.012 289 2HB GLU 46 1HB GLU 46 13.238 1.592 -4.832 290 1HG GLU 46 2HG GLU 46 13.813 2.953 -7.409 291 2HG GLU 46 1HG GLU 46 12.460 3.610 -6.488 292 H GLY 47 H GLY 47 13.684 -0.736 -4.490 293 1HA GLY 47 2HA GLY 47 15.851 -2.176 -4.064 294 2HA GLY 47 1HA GLY 47 16.642 -0.600 -4.018 295 H PHE 48 H PHE 48 13.538 -1.827 -2.688 296 HA PHE 48 HA PHE 48 14.278 -0.507 -0.110 297 1HB PHE 48 2HB PHE 48 11.637 -1.641 -1.012 298 2HB PHE 48 1HB PHE 48 11.906 -0.632 0.425 299 HD1 PHE 48 1HD PHE 48 10.366 -0.426 -2.536 300 HD2 PHE 48 2HD PHE 48 13.645 1.471 -0.504 301 HE1 PHE 48 1HE PHE 48 10.069 1.592 -3.932 302 HE2 PHE 48 2HE PHE 48 13.346 3.484 -1.918 303 HZ PHE 48 HZ PHE 48 11.573 3.551 -3.621 304 H ASP 49 H ASP 49 15.227 -1.838 1.332 305 HA ASP 49 HA ASP 49 14.799 -4.758 1.154 306 1HB ASP 49 2HB ASP 49 16.716 -2.919 2.511 307 2HB ASP 49 1HB ASP 49 16.312 -4.370 3.432 308 H PHE 50 H PHE 50 12.591 -4.940 1.725 309 HA PHE 50 HA PHE 50 11.627 -3.817 4.254 310 1HB PHE 50 2HB PHE 50 10.380 -5.921 2.452 311 2HB PHE 50 1HB PHE 50 9.548 -4.996 3.720 312 HD1 PHE 50 1HD PHE 50 9.852 -2.361 3.526 313 HD2 PHE 50 2HD PHE 50 10.214 -5.146 0.276 314 HE1 PHE 50 1HE PHE 50 9.364 -0.541 1.915 315 HE2 PHE 50 2HE PHE 50 9.739 -3.320 -1.331 316 HZ PHE 50 HZ PHE 50 9.317 -1.019 -0.518 317 H SER 51 H SER 51 10.246 -5.763 5.526 318 HA SER 51 HA SER 51 11.948 -8.144 5.900 319 1HB SER 51 2HB SER 51 12.288 -7.708 8.309 320 2HB SER 51 1HB SER 51 13.014 -6.417 7.344 321 HG SER 51 HG SER 51 10.700 -6.360 8.932 322 H VAL 52 H VAL 52 9.293 -7.899 4.968 323 HA VAL 52 HA VAL 52 7.705 -8.937 7.292 324 HB VAL 52 HB VAL 52 6.862 -7.464 4.782 325 1HG1 VAL 52 1HG1 VAL 52 5.287 -9.261 4.972 326 2HG1 VAL 52 2HG1 VAL 52 4.518 -7.853 5.680 327 3HG1 VAL 52 3HG1 VAL 52 5.210 -9.094 6.726 328 1HG2 VAL 52 1HG2 VAL 52 5.568 -6.363 6.900 329 2HG2 VAL 52 2HG2 VAL 52 7.132 -5.802 6.302 330 3HG2 VAL 52 3HG2 VAL 52 7.050 -6.880 7.685 331 H SER 53 H SER 53 8.447 -9.409 3.833 332 HA SER 53 HA SER 53 8.543 -12.216 4.008 333 1HB SER 53 2HB SER 53 5.814 -11.127 3.869 334 2HB SER 53 1HB SER 53 6.161 -12.230 2.555 335 HG SER 53 HG SER 53 5.388 -13.237 4.515 336 H SER 54 H SER 54 7.878 -13.135 1.593 337 HA SER 54 HA SER 54 9.536 -11.487 -0.221 338 1HB SER 54 2HB SER 54 8.495 -13.907 -1.462 339 2HB SER 54 1HB SER 54 10.138 -13.439 -1.069 340 HG SER 54 HG SER 54 10.007 -14.372 0.875 341 HA PRO 55 HA PRO 55 5.645 -11.878 -2.943 342 1HB PRO 55 2HB PRO 55 3.425 -13.089 -1.890 343 2HB PRO 55 1HB PRO 55 4.702 -13.944 -2.750 344 1HG PRO 55 2HG PRO 55 4.144 -13.877 0.187 345 2HG PRO 55 1HG PRO 55 4.904 -15.153 -0.779 346 1HD PRO 55 2HD PRO 55 6.210 -13.290 0.846 347 2HD PRO 55 1HD PRO 55 6.961 -14.348 -0.337 348 H TYR 56 H TYR 56 5.746 -9.640 -2.430 349 HA TYR 56 HA TYR 56 4.028 -8.592 -0.277 350 1HB TYR 56 2HB TYR 56 5.987 -7.487 -2.251 351 2HB TYR 56 1HB TYR 56 4.829 -6.381 -1.560 352 HD1 TYR 56 1HD TYR 56 5.892 -9.296 0.394 353 HD2 TYR 56 2HD TYR 56 6.678 -5.159 -0.470 354 HE1 TYR 56 1HE TYR 56 7.212 -9.111 2.409 355 HE2 TYR 56 2HE TYR 56 8.026 -5.028 1.578 356 HH TYR 56 HH TYR 56 9.320 -7.514 3.143 357 H TYR 57 H TYR 57 2.709 -6.522 -1.077 358 HA TYR 57 HA TYR 57 1.348 -7.020 -3.605 359 1HB TYR 57 2HB TYR 57 0.003 -7.270 -0.932 360 2HB TYR 57 1HB TYR 57 -0.925 -7.070 -2.438 361 HD1 TYR 57 1HD TYR 57 -1.114 -8.909 -3.993 362 HD2 TYR 57 2HD TYR 57 1.330 -9.262 -0.494 363 HE1 TYR 57 1HE TYR 57 -0.888 -11.327 -4.418 364 HE2 TYR 57 2HE TYR 57 1.525 -11.703 -0.890 365 HH TYR 57 HH TYR 57 1.274 -13.219 -3.336 366 H GLU 58 H GLU 58 0.785 -5.124 -4.523 367 HA GLU 58 HA GLU 58 1.245 -2.682 -2.929 368 1HB GLU 58 2HB GLU 58 0.999 -1.499 -5.102 369 2HB GLU 58 1HB GLU 58 2.214 -2.777 -5.159 370 1HG GLU 58 2HG GLU 58 0.520 -4.307 -6.179 371 2HG GLU 58 1HG GLU 58 -0.629 -2.968 -6.191 372 H TRP 59 H TRP 59 -0.302 -1.351 -2.207 373 HA TRP 59 HA TRP 59 -2.960 -1.242 -3.374 374 1HB TRP 59 2HB TRP 59 -3.457 -3.132 -2.013 375 2HB TRP 59 1HB TRP 59 -2.504 -2.510 -0.657 376 HD1 TRP 59 HD TRP 59 -3.583 -0.696 0.875 377 HE1 TRP 59 1HE TRP 59 -5.997 0.118 1.203 378 HE3 TRP 59 3HE TRP 59 -5.761 -2.726 -3.288 379 HZ2 TRP 59 2HZ TRP 59 -8.518 -0.076 -0.133 380 HZ3 TRP 59 3HZ TRP 59 -8.178 -2.391 -3.721 381 HH2 TRP 59 HH TRP 59 -9.536 -1.097 -2.164 382 HA PRO 60 HA PRO 60 -2.181 2.840 -1.776 383 1HB PRO 60 2HB PRO 60 -4.685 3.885 -2.128 384 2HB PRO 60 1HB PRO 60 -3.525 3.627 -3.430 385 1HG PRO 60 2HG PRO 60 -5.899 1.977 -2.691 386 2HG PRO 60 1HG PRO 60 -5.244 2.316 -4.252 387 1HD PRO 60 2HD PRO 60 -4.888 -0.017 -2.847 388 2HD PRO 60 1HD PRO 60 -3.827 0.464 -4.113 389 H ILE 61 H ILE 61 -2.583 4.152 0.029 390 HA ILE 61 HA ILE 61 -4.220 2.855 2.196 391 HB ILE 61 HB ILE 61 -2.073 2.734 3.047 392 1HG1 ILE 61 2HG1 ILE 61 -1.732 4.551 4.653 393 2HG1 ILE 61 1HG1 ILE 61 -2.816 5.615 3.769 394 1HG2 ILE 61 1HG2 ILE 61 -0.848 3.663 1.216 395 2HG2 ILE 61 2HG2 ILE 61 -0.360 4.566 2.640 396 3HG2 ILE 61 3HG2 ILE 61 -1.506 5.276 1.504 397 1HD1 ILE 61 1HD1 ILE 61 -4.679 4.123 4.271 398 2HD1 ILE 61 2HD1 ILE 61 -3.865 4.535 5.734 399 3HD1 ILE 61 3HD1 ILE 61 -3.586 2.973 4.997 400 H LEU 62 H LEU 62 -5.997 4.072 2.727 401 HA LEU 62 HA LEU 62 -5.860 7.030 2.278 402 1HB LEU 62 2HB LEU 62 -8.490 5.590 2.440 403 2HB LEU 62 1HB LEU 62 -8.029 7.030 1.520 404 HG LEU 62 HG LEU 62 -7.472 4.127 0.858 405 1HD1 LEU 62 1HD1 LEU 62 -8.308 5.132 -1.400 406 2HD1 LEU 62 2HD1 LEU 62 -8.909 6.454 -0.417 407 3HD1 LEU 62 3HD1 LEU 62 -9.477 4.810 -0.124 408 1HD2 LEU 62 1HD2 LEU 62 -5.756 6.465 0.282 409 2HD2 LEU 62 2HD2 LEU 62 -6.308 5.649 -1.148 410 3HD2 LEU 62 3HD2 LEU 62 -5.455 4.740 0.052 411 H SER 63 H SER 63 -7.441 8.220 3.772 412 HA SER 63 HA SER 63 -7.395 6.935 6.492 413 1HB SER 63 2HB SER 63 -5.825 8.691 6.638 414 2HB SER 63 1HB SER 63 -6.780 9.775 5.633 415 HG SER 63 HG SER 63 -7.999 10.246 7.337 416 H SER 64 H SER 64 -9.542 6.712 4.618 417 HA SER 64 HA SER 64 -11.603 8.467 5.910 418 1HB SER 64 2HB SER 64 -10.977 8.122 3.176 419 2HB SER 64 1HB SER 64 -12.468 7.212 3.428 420 HG SER 64 HG SER 64 -11.966 9.953 3.834 421 H GLY 65 H GLY 65 -10.700 5.182 4.946 422 1HA GLY 65 2HA GLY 65 -11.408 3.234 6.082 423 2HA GLY 65 1HA GLY 65 -12.733 4.128 6.822 424 H ASP 66 H ASP 66 -12.390 4.713 3.448 425 HA ASP 66 HA ASP 66 -14.737 2.923 2.948 426 1HB ASP 66 2HB ASP 66 -13.884 5.610 1.949 427 2HB ASP 66 1HB ASP 66 -14.666 4.551 0.771 428 H VAL 67 H VAL 67 -11.537 2.624 2.739 429 HA VAL 67 HA VAL 67 -10.138 1.348 1.411 430 HB VAL 67 HB VAL 67 -12.798 0.384 0.278 431 1HG1 VAL 67 1HG1 VAL 67 -10.136 -0.948 0.068 432 2HG1 VAL 67 2HG1 VAL 67 -10.790 0.031 -1.235 433 3HG1 VAL 67 3HG1 VAL 67 -11.621 -1.408 -0.706 434 1HG2 VAL 67 1HG2 VAL 67 -12.845 -0.370 2.439 435 2HG2 VAL 67 2HG2 VAL 67 -11.099 -0.350 2.622 436 3HG2 VAL 67 3HG2 VAL 67 -11.879 -1.661 1.735 437 H TYR 68 H TYR 68 -9.058 1.654 -0.582 438 HA TYR 68 HA TYR 68 -9.590 3.970 -2.052 439 1HB TYR 68 2HB TYR 68 -7.401 2.957 -2.150 440 2HB TYR 68 1HB TYR 68 -8.070 1.486 -2.885 441 HD1 TYR 68 1HD TYR 68 -7.316 1.376 -5.080 442 HD2 TYR 68 2HD TYR 68 -8.673 5.135 -3.542 443 HE1 TYR 68 1HE TYR 68 -7.039 2.403 -7.338 444 HE2 TYR 68 2HE TYR 68 -8.409 6.155 -5.774 445 HH TYR 68 HH TYR 68 -8.381 4.893 -8.411 446 H SER 69 H SER 69 -11.465 4.358 -3.089 447 HA SER 69 HA SER 69 -12.181 2.827 -5.416 448 1HB SER 69 2HB SER 69 -14.560 2.248 -4.226 449 2HB SER 69 1HB SER 69 -13.196 1.141 -4.211 450 HG SER 69 HG SER 69 -13.890 1.388 -2.111 451 H GLY 70 H GLY 70 -11.756 5.523 -5.050 452 1HA GLY 70 2HA GLY 70 -14.447 6.620 -5.709 453 2HA GLY 70 1HA GLY 70 -13.588 7.358 -4.354 454 H GLY 71 H GLY 71 -11.025 7.554 -5.150 455 1HA GLY 71 2HA GLY 71 -10.379 8.203 -7.788 456 2HA GLY 71 1HA GLY 71 -11.137 9.665 -7.150 457 H SER 72 H SER 72 -8.860 10.512 -7.588 458 HA SER 72 HA SER 72 -6.838 11.285 -6.726 459 1HB SER 72 2HB SER 72 -7.178 10.340 -3.959 460 2HB SER 72 1HB SER 72 -7.072 11.980 -4.598 461 HG SER 72 HG SER 72 -9.124 11.402 -3.618 462 HA PRO 73 HA PRO 73 -5.278 6.878 -6.703 463 1HB PRO 73 2HB PRO 73 -4.152 6.968 -9.201 464 2HB PRO 73 1HB PRO 73 -5.819 6.491 -8.892 465 1HG PRO 73 2HG PRO 73 -4.787 9.057 -10.033 466 2HG PRO 73 1HG PRO 73 -6.345 8.258 -10.307 467 1HD PRO 73 2HD PRO 73 -5.884 10.469 -8.591 468 2HD PRO 73 1HD PRO 73 -7.333 9.455 -8.655 469 H GLY 74 H GLY 74 -3.044 6.245 -6.517 470 1HA GLY 74 2HA GLY 74 -0.764 6.570 -6.198 471 2HA GLY 74 1HA GLY 74 -0.866 8.099 -7.068 472 H ALA 75 H ALA 75 0.378 9.258 -5.514 473 HA ALA 75 HA ALA 75 0.518 10.707 -3.706 474 1HB ALA 75 1HB ALA 75 -1.973 9.519 -2.456 475 2HB ALA 75 2HB ALA 75 -2.078 10.576 -3.851 476 3HB ALA 75 3HB ALA 75 -1.326 11.146 -2.373 477 H ASP 76 H ASP 76 -1.094 7.931 -2.084 478 HA ASP 76 HA ASP 76 1.538 7.279 -0.843 479 1HB ASP 76 2HB ASP 76 -1.111 7.878 0.478 480 2HB ASP 76 1HB ASP 76 0.030 6.772 1.255 481 H ARG 77 H ARG 77 1.994 5.146 -0.747 482 HA ARG 77 HA ARG 77 -0.232 3.194 -1.091 483 1HB ARG 77 2HB ARG 77 2.041 3.711 -2.955 484 2HB ARG 77 1HB ARG 77 1.775 2.010 -2.557 485 1HG ARG 77 2HG ARG 77 -0.788 2.796 -3.053 486 2HG ARG 77 1HG ARG 77 0.107 3.882 -4.115 487 1HD ARG 77 2HD ARG 77 1.391 1.693 -4.799 488 2HD ARG 77 1HD ARG 77 -0.027 0.883 -4.106 489 HE ARG 77 HE ARG 77 -0.826 2.979 -5.757 490 1HH1 ARG 77 1HH2 ARG 77 -2.708 1.353 -5.345 491 2HH1 ARG 77 2HH2 ARG 77 -2.760 0.070 -6.513 492 1HH2 ARG 77 1HH1 ARG 77 0.474 0.659 -7.635 493 2HH2 ARG 77 2HH1 ARG 77 -0.956 -0.299 -7.836 494 H VAL 78 H VAL 78 -0.067 1.667 0.490 495 HA VAL 78 HA VAL 78 2.660 1.274 1.686 496 HB VAL 78 HB VAL 78 0.751 2.208 3.144 497 1HG1 VAL 78 1HG1 VAL 78 -0.919 0.730 3.910 498 2HG1 VAL 78 2HG1 VAL 78 -0.107 -0.675 3.253 499 3HG1 VAL 78 3HG1 VAL 78 -0.906 0.470 2.171 500 1HG2 VAL 78 1HG2 VAL 78 2.331 -0.278 3.835 501 2HG2 VAL 78 2HG2 VAL 78 1.422 0.608 5.036 502 3HG2 VAL 78 3HG2 VAL 78 2.726 1.388 4.178 503 H VAL 79 H VAL 79 3.547 -0.646 1.192 504 HA VAL 79 HA VAL 79 1.966 -2.732 -0.120 505 HB VAL 79 HB VAL 79 4.858 -2.878 0.785 506 1HG1 VAL 79 1HG1 VAL 79 3.166 -4.394 -1.194 507 2HG1 VAL 79 2HG1 VAL 79 4.154 -5.048 0.103 508 3HG1 VAL 79 3HG1 VAL 79 4.894 -4.361 -1.302 509 1HG2 VAL 79 1HG2 VAL 79 3.733 -1.833 -1.808 510 2HG2 VAL 79 2HG2 VAL 79 5.443 -2.070 -1.427 511 3HG2 VAL 79 3HG2 VAL 79 4.503 -0.898 -0.531 512 H PHE 80 H PHE 80 2.291 -5.032 0.634 513 HA PHE 80 HA PHE 80 2.648 -5.474 3.476 514 1HB PHE 80 2HB PHE 80 0.286 -6.138 3.848 515 2HB PHE 80 1HB PHE 80 0.445 -4.453 3.375 516 HD1 PHE 80 1HD PHE 80 -1.296 -7.427 2.714 517 HD2 PHE 80 2HD PHE 80 0.343 -3.984 0.741 518 HE1 PHE 80 1HE PHE 80 -2.784 -7.809 0.771 519 HE2 PHE 80 2HE PHE 80 -1.138 -4.367 -1.186 520 HZ PHE 80 HZ PHE 80 -2.707 -6.280 -1.180 521 H ASN 81 H ASN 81 1.435 -7.898 3.766 522 HA ASN 81 HA ASN 81 2.409 -9.463 1.399 523 1HB ASN 81 2HB ASN 81 3.966 -9.621 3.308 524 2HB ASN 81 1HB ASN 81 2.675 -10.226 4.338 525 1HD2 ASN 81 1HD2 ASN 81 1.865 -12.398 3.877 526 2HD2 ASN 81 2HD2 ASN 81 2.734 -13.459 2.847 527 H GLU 82 H GLU 82 0.830 -10.576 4.370 528 HA GLU 82 HA GLU 82 -1.742 -10.928 3.048 529 1HB GLU 82 2HB GLU 82 0.094 -13.285 3.641 530 2HB GLU 82 1HB GLU 82 -1.647 -13.480 3.447 531 1HG GLU 82 2HG GLU 82 0.300 -12.487 1.358 532 2HG GLU 82 1HG GLU 82 -0.680 -13.937 1.340 533 H ASN 83 H ASN 83 -0.327 -9.911 5.607 534 HA ASN 83 HA ASN 83 -2.396 -11.020 7.434 535 1HB ASN 83 2HB ASN 83 0.576 -11.161 7.712 536 2HB ASN 83 1HB ASN 83 -0.288 -10.619 9.154 537 1HD2 ASN 83 1HD2 ASN 83 0.455 -12.700 10.094 538 2HD2 ASN 83 2HD2 ASN 83 -0.485 -14.109 9.751 539 H ASN 84 H ASN 84 -1.956 -8.505 5.825 540 HA ASN 84 HA ASN 84 -2.063 -6.219 6.118 541 1HB ASN 84 2HB ASN 84 -3.733 -5.503 7.666 542 2HB ASN 84 1HB ASN 84 -4.218 -7.132 7.200 543 1HD2 ASN 84 1HD2 ASN 84 -4.791 -8.391 8.940 544 2HD2 ASN 84 2HD2 ASN 84 -4.142 -8.212 10.530 545 H GLN 85 H GLN 85 0.252 -7.701 7.361 546 HA GLN 85 HA GLN 85 0.866 -6.355 9.843 547 1HB GLN 85 2HB GLN 85 3.145 -7.375 8.169 548 2HB GLN 85 1HB GLN 85 2.789 -7.582 9.878 549 1HG GLN 85 2HG GLN 85 0.775 -8.989 8.945 550 2HG GLN 85 1HG GLN 85 1.817 -9.151 7.524 551 1HE2 GLN 85 1HE2 GLN 85 1.675 -9.668 11.054 552 2HE2 GLN 85 2HE2 GLN 85 2.879 -10.907 11.054 553 H LEU 86 H LEU 86 3.108 -6.003 7.071 554 HA LEU 86 HA LEU 86 2.495 -3.527 6.156 555 1HB LEU 86 2HB LEU 86 2.958 -3.108 8.877 556 2HB LEU 86 1HB LEU 86 4.534 -2.802 8.217 557 HG LEU 86 HG LEU 86 3.447 -0.704 8.185 558 1HD1 LEU 86 1HD1 LEU 86 4.624 -1.494 6.055 559 2HD1 LEU 86 2HD1 LEU 86 3.546 -0.136 5.921 560 3HD1 LEU 86 3HD1 LEU 86 3.018 -1.714 5.354 561 1HD2 LEU 86 1HD2 LEU 86 1.113 -2.076 6.808 562 2HD2 LEU 86 2HD2 LEU 86 1.233 -0.361 7.197 563 3HD2 LEU 86 3HD2 LEU 86 1.143 -1.551 8.492 564 H ALA 87 H ALA 87 3.730 -3.871 4.331 565 HA ALA 87 HA ALA 87 6.404 -5.057 4.467 566 1HB ALA 87 1HB ALA 87 6.312 -4.027 1.964 567 2HB ALA 87 2HB ALA 87 4.628 -4.034 2.359 568 3HB ALA 87 3HB ALA 87 5.488 -5.527 2.417 569 H GLY 88 H GLY 88 5.027 -1.835 3.913 570 1HA GLY 88 2HA GLY 88 6.900 -0.291 5.232 571 2HA GLY 88 1HA GLY 88 7.629 -0.534 3.639 572 H VAL 89 H VAL 89 6.623 2.016 4.711 573 HA VAL 89 HA VAL 89 4.132 2.432 3.142 574 HB VAL 89 HB VAL 89 5.665 4.413 4.853 575 1HG1 VAL 89 1HG1 VAL 89 4.195 5.438 3.149 576 2HG1 VAL 89 2HG1 VAL 89 3.512 5.643 4.743 577 3HG1 VAL 89 3HG1 VAL 89 2.862 4.416 3.668 578 1HG2 VAL 89 1HG2 VAL 89 3.547 2.379 5.450 579 2HG2 VAL 89 2HG2 VAL 89 3.503 3.883 6.281 580 3HG2 VAL 89 3HG2 VAL 89 4.918 2.856 6.375 581 H ILE 90 H ILE 90 4.550 2.636 1.027 582 HA ILE 90 HA ILE 90 6.859 4.324 0.135 583 HB ILE 90 HB ILE 90 6.037 3.424 -2.178 584 1HG1 ILE 90 2HG1 ILE 90 4.698 1.492 -0.247 585 2HG1 ILE 90 1HG1 ILE 90 4.013 2.288 -1.678 586 1HG2 ILE 90 1HG2 ILE 90 8.155 2.870 -0.858 587 2HG2 ILE 90 2HG2 ILE 90 7.637 1.689 -2.046 588 3HG2 ILE 90 3HG2 ILE 90 7.315 1.411 -0.332 589 1HD1 ILE 90 1HD1 ILE 90 5.767 0.921 -2.973 590 2HD1 ILE 90 2HD1 ILE 90 4.376 0.109 -2.357 591 3HD1 ILE 90 3HD1 ILE 90 5.930 -0.008 -1.512 592 H THR 91 H THR 91 6.175 5.728 -1.901 593 HA THR 91 HA THR 91 3.393 6.702 -1.577 594 HB THR 91 HB THR 91 5.107 7.918 -0.065 595 HG1 THR 91 1HG THR 91 4.005 9.913 -0.524 596 1HG2 THR 91 1HG2 THR 91 5.723 9.399 -2.593 597 2HG2 THR 91 2HG2 THR 91 6.758 8.121 -1.988 598 3HG2 THR 91 3HG2 THR 91 6.483 9.561 -1.022 599 H HIS 92 H HIS 92 2.522 7.569 -3.401 600 HA HIS 92 HA HIS 92 4.082 7.314 -5.902 601 1HB HIS 92 2HB HIS 92 1.248 7.327 -5.105 602 2HB HIS 92 1HB HIS 92 1.520 8.248 -6.580 603 HD1 HIS 92 1HD HIS 92 3.756 5.349 -5.911 604 HD2 HIS 92 2HD HIS 92 0.247 6.140 -8.020 605 HE1 HIS 92 1HE HIS 92 3.421 3.456 -7.514 606 HE2 HIS 92 2HE HIS 92 1.103 3.725 -8.465 607 H THR 93 H THR 93 5.261 9.296 -4.601 608 HA THR 93 HA THR 93 4.756 11.596 -6.284 609 HB THR 93 HB THR 93 2.940 11.712 -4.432 610 HG1 THR 93 1HG THR 93 3.319 13.574 -5.523 611 1HG2 THR 93 1HG2 THR 93 4.772 11.058 -2.680 612 2HG2 THR 93 2HG2 THR 93 3.541 12.225 -2.264 613 3HG2 THR 93 3HG2 THR 93 5.147 12.777 -2.705 614 H GLY 94 H GLY 94 6.968 9.773 -5.173 615 1HA GLY 94 2HA GLY 94 8.812 11.989 -4.332 616 2HA GLY 94 1HA GLY 94 8.882 10.382 -3.626 617 H ALA 95 H ALA 95 8.085 10.674 -6.999 618 HA ALA 95 HA ALA 95 10.727 10.621 -8.085 619 1HB ALA 95 1HB ALA 95 11.295 8.551 -7.346 620 2HB ALA 95 2HB ALA 95 10.349 8.000 -8.717 621 3HB ALA 95 3HB ALA 95 9.634 8.053 -7.097 622 H SER 96 H SER 96 10.238 11.414 -10.110 623 HA SER 96 HA SER 96 8.975 11.847 -12.035 624 1HB SER 96 2HB SER 96 8.284 8.893 -11.957 625 2HB SER 96 1HB SER 96 8.619 9.916 -13.363 626 HG SER 96 HG SER 96 10.405 8.593 -12.840 627 H GLY 97 H GLY 97 6.639 10.485 -12.984 628 1HA GLY 97 2HA GLY 97 4.534 11.886 -11.984 629 2HA GLY 97 1HA GLY 97 4.340 10.235 -12.574 630 H ASN 98 H ASN 98 5.578 8.700 -10.684 631 HA ASN 98 HA ASN 98 4.685 9.570 -8.010 632 1HB ASN 98 2HB ASN 98 3.579 6.956 -8.289 633 2HB ASN 98 1HB ASN 98 2.738 8.474 -8.057 634 1HD2 ASN 98 1HD2 ASN 98 1.357 9.095 -9.669 635 2HD2 ASN 98 2HD2 ASN 98 1.400 8.445 -11.269 636 H ASN 99 H ASN 99 5.278 6.301 -9.383 637 HA ASN 99 HA ASN 99 6.888 4.746 -8.828 638 1HB ASN 99 2HB ASN 99 8.284 7.237 -9.154 639 2HB ASN 99 1HB ASN 99 8.961 6.423 -7.752 640 1HD2 ASN 99 1HD2 ASN 99 8.050 5.753 -11.143 641 2HD2 ASN 99 2HD2 ASN 99 9.323 4.608 -11.371 642 H PHE 100 H PHE 100 7.586 3.598 -6.938 643 HA PHE 100 HA PHE 100 6.391 4.683 -4.442 644 1HB PHE 100 2HB PHE 100 7.615 1.994 -4.278 645 2HB PHE 100 1HB PHE 100 6.038 2.586 -3.796 646 HD1 PHE 100 1HD PHE 100 4.108 2.322 -5.098 647 HD2 PHE 100 2HD PHE 100 7.986 1.401 -6.702 648 HE1 PHE 100 1HE PHE 100 3.040 1.204 -7.036 649 HE2 PHE 100 2HE PHE 100 6.913 0.290 -8.647 650 HZ PHE 100 HZ PHE 100 4.443 0.188 -8.808 651 H VAL 101 H VAL 101 7.641 5.564 -2.916 652 HA VAL 101 HA VAL 101 10.399 4.630 -2.485 653 HB VAL 101 HB VAL 101 10.943 7.221 -2.222 654 1HG1 VAL 101 1HG1 VAL 101 10.775 5.841 -4.920 655 2HG1 VAL 101 2HG1 VAL 101 12.095 5.679 -3.760 656 3HG1 VAL 101 3HG1 VAL 101 11.786 7.234 -4.527 657 1HG2 VAL 101 1HG2 VAL 101 8.796 7.231 -4.379 658 2HG2 VAL 101 2HG2 VAL 101 9.765 8.574 -3.805 659 3HG2 VAL 101 3HG2 VAL 101 8.575 7.858 -2.745 660 H GLU 102 H GLU 102 10.893 4.612 -0.335 661 HA GLU 102 HA GLU 102 8.972 4.665 1.637 662 1HB GLU 102 2HB GLU 102 10.957 5.485 3.200 663 2HB GLU 102 1HB GLU 102 11.027 3.911 2.416 664 1HG GLU 102 2HG GLU 102 12.077 6.092 0.700 665 2HG GLU 102 1HG GLU 102 12.924 5.915 2.231 666 H CYS 103 H CYS 103 7.734 6.235 2.602 667 HA CYS 103 HA CYS 103 7.622 8.882 1.636 668 1HB CYS 103 2HB CYS 103 6.675 7.541 4.181 669 2HB CYS 103 1HB CYS 103 6.486 9.281 3.986 670 H THR 104 H THR 104 9.572 9.993 1.591 671 HA THR 104 HA THR 104 10.606 10.878 4.235 672 HB THR 104 HB THR 104 12.952 10.480 2.714 673 HG1 THR 104 1HG THR 104 12.779 8.493 1.830 674 1HG2 THR 104 1HG2 THR 104 11.742 8.686 4.835 675 2HG2 THR 104 2HG2 THR 104 12.685 10.148 5.140 676 3HG2 THR 104 3HG2 THR 104 13.442 8.756 4.368 Start of MODEL 19 1 1H ALA 1 1HT ALA 1 -2.257 12.765 15.297 2 2H ALA 1 2HT ALA 1 -0.697 13.479 15.175 3 3H ALA 1 3HT ALA 1 -1.472 13.373 16.699 4 HA ALA 1 HA ALA 1 0.246 11.730 16.513 5 1HB ALA 1 1HB ALA 1 -2.560 10.586 16.391 6 2HB ALA 1 2HB ALA 1 -1.760 11.220 17.827 7 3HB ALA 1 3HB ALA 1 -1.141 9.764 17.051 8 H CYS 2 H CYS 2 1.445 10.576 15.049 9 HA CYS 2 HA CYS 2 0.432 8.825 13.133 10 1HB CYS 2 2HB CYS 2 0.784 10.137 11.035 11 2HB CYS 2 1HB CYS 2 -0.534 10.772 12.001 12 H ASP 3 H ASP 3 2.151 7.947 11.724 13 HA ASP 3 HA ASP 3 4.881 8.884 12.518 14 1HB ASP 3 2HB ASP 3 3.787 6.463 13.253 15 2HB ASP 3 1HB ASP 3 4.585 6.020 11.740 16 H TYR 4 H TYR 4 2.896 7.306 10.014 17 HA TYR 4 HA TYR 4 5.050 7.544 8.039 18 1HB TYR 4 2HB TYR 4 2.212 6.518 8.058 19 2HB TYR 4 1HB TYR 4 2.957 6.905 6.500 20 HD1 TYR 4 1HD TYR 4 2.668 4.444 9.057 21 HD2 TYR 4 2HD TYR 4 5.317 5.962 6.036 22 HE1 TYR 4 1HE TYR 4 3.920 2.303 9.081 23 HE2 TYR 4 2HE TYR 4 6.569 3.823 6.054 24 HH TYR 4 HH TYR 4 6.673 1.748 8.288 25 H THR 5 H THR 5 5.404 9.315 6.790 26 HA THR 5 HA THR 5 3.141 11.235 6.385 27 HB THR 5 HB THR 5 5.803 12.521 6.557 28 HG1 THR 5 1HG THR 5 6.184 12.123 8.666 29 1HG2 THR 5 1HG2 THR 5 3.418 13.054 8.282 30 2HG2 THR 5 2HG2 THR 5 3.372 13.497 6.572 31 3HG2 THR 5 3HG2 THR 5 4.595 14.189 7.636 32 H CYS 6 H CYS 6 2.897 11.751 4.260 33 HA CYS 6 HA CYS 6 5.270 11.539 2.452 34 1HB CYS 6 2HB CYS 6 2.547 10.253 2.034 35 2HB CYS 6 1HB CYS 6 3.819 10.343 0.806 36 H GLY 7 H GLY 7 3.361 13.592 3.654 37 1HA GLY 7 2HA GLY 7 3.499 15.474 1.540 38 2HA GLY 7 1HA GLY 7 1.870 14.790 1.549 39 H SER 8 H SER 8 4.030 15.475 4.316 40 HA SER 8 HA SER 8 3.686 16.808 6.181 41 1HB SER 8 2HB SER 8 2.507 18.347 3.930 42 2HB SER 8 1HB SER 8 1.853 18.771 5.505 43 HG SER 8 HG SER 8 4.506 18.904 4.588 44 H ASN 9 H ASN 9 1.618 14.638 5.144 45 HA ASN 9 HA ASN 9 -0.814 15.468 6.563 46 1HB ASN 9 2HB ASN 9 -0.162 12.724 5.454 47 2HB ASN 9 1HB ASN 9 -1.757 13.434 5.740 48 1HD2 ASN 9 1HD2 ASN 9 -2.082 15.584 4.428 49 2HD2 ASN 9 2HD2 ASN 9 -1.492 15.536 2.805 50 H CYS 10 H CYS 10 -1.620 13.260 7.932 51 HA CYS 10 HA CYS 10 0.627 12.638 9.762 52 1HB CYS 10 2HB CYS 10 -1.388 14.410 10.409 53 2HB CYS 10 1HB CYS 10 -2.065 12.914 11.040 54 H TYR 11 H TYR 11 0.422 10.702 8.192 55 HA TYR 11 HA TYR 11 -1.877 8.938 8.673 56 1HB TYR 11 2HB TYR 11 0.724 8.655 7.145 57 2HB TYR 11 1HB TYR 11 -0.338 7.272 7.383 58 HD1 TYR 11 1HD TYR 11 -0.294 10.790 6.141 59 HD2 TYR 11 2HD TYR 11 -2.190 6.944 5.999 60 HE1 TYR 11 1HE TYR 11 -1.718 11.558 4.253 61 HE2 TYR 11 2HE TYR 11 -3.583 7.713 4.109 62 HH TYR 11 HH TYR 11 -3.155 9.846 2.186 63 H SER 12 H SER 12 -2.039 7.695 10.475 64 HA SER 12 HA SER 12 0.372 7.259 12.132 65 1HB SER 12 2HB SER 12 -2.122 6.079 13.117 66 2HB SER 12 1HB SER 12 -1.047 7.254 13.871 67 HG SER 12 HG SER 12 -2.112 8.886 12.899 68 H SER 13 H SER 13 1.353 5.310 12.434 69 HA SER 13 HA SER 13 1.122 3.251 10.546 70 1HB SER 13 2HB SER 13 2.282 1.808 12.237 71 2HB SER 13 1HB SER 13 3.029 3.400 12.069 72 HG SER 13 HG SER 13 2.743 2.918 14.260 73 H SER 14 H SER 14 -0.915 3.961 13.292 74 HA SER 14 HA SER 14 -2.120 1.293 13.345 75 1HB SER 14 2HB SER 14 -1.887 2.812 15.367 76 2HB SER 14 1HB SER 14 -3.153 3.827 14.666 77 HG SER 14 HG SER 14 -3.314 1.174 15.615 78 H ASP 15 H ASP 15 -2.874 4.502 12.034 79 HA ASP 15 HA ASP 15 -5.529 3.725 11.164 80 1HB ASP 15 2HB ASP 15 -3.763 6.114 10.921 81 2HB ASP 15 1HB ASP 15 -4.810 5.852 9.523 82 H VAL 16 H VAL 16 -2.303 3.362 9.987 83 HA VAL 16 HA VAL 16 -3.037 2.910 7.217 84 HB VAL 16 HB VAL 16 -0.542 1.806 8.543 85 1HG1 VAL 16 1HG1 VAL 16 -0.977 1.274 6.167 86 2HG1 VAL 16 2HG1 VAL 16 0.417 2.337 6.332 87 3HG1 VAL 16 3HG1 VAL 16 -1.132 2.993 5.808 88 1HG2 VAL 16 1HG2 VAL 16 0.187 4.289 7.603 89 2HG2 VAL 16 2HG2 VAL 16 -0.111 3.877 9.255 90 3HG2 VAL 16 3HG2 VAL 16 -1.376 4.642 8.328 91 H SER 17 H SER 17 -2.727 0.945 10.131 92 HA SER 17 HA SER 17 -2.704 -1.624 8.900 93 1HB SER 17 2HB SER 17 -2.411 -2.047 11.110 94 2HB SER 17 1HB SER 17 -3.172 -0.530 11.593 95 HG SER 17 HG SER 17 -4.321 -2.476 12.234 96 H THR 18 H THR 18 -5.422 0.446 9.972 97 HA THR 18 HA THR 18 -7.508 -1.363 9.265 98 HB THR 18 HB THR 18 -7.384 1.667 9.390 99 HG1 THR 18 1HG THR 18 -8.308 1.337 11.347 100 1HG2 THR 18 1HG2 THR 18 -9.650 -0.145 8.572 101 2HG2 THR 18 2HG2 THR 18 -9.139 1.397 7.876 102 3HG2 THR 18 3HG2 THR 18 -9.963 1.363 9.429 103 H ALA 19 H ALA 19 -5.806 1.136 7.385 104 HA ALA 19 HA ALA 19 -7.346 0.604 4.959 105 1HB ALA 19 1HB ALA 19 -6.403 2.530 4.319 106 2HB ALA 19 2HB ALA 19 -4.798 1.809 4.422 107 3HB ALA 19 3HB ALA 19 -5.516 2.582 5.844 108 H GLN 20 H GLN 20 -4.753 -0.934 6.577 109 HA GLN 20 HA GLN 20 -3.612 -2.107 4.166 110 1HB GLN 20 2HB GLN 20 -2.593 -1.611 6.713 111 2HB GLN 20 1HB GLN 20 -2.898 -3.328 6.777 112 1HG GLN 20 2HG GLN 20 -1.016 -1.809 5.015 113 2HG GLN 20 1HG GLN 20 -0.772 -3.295 5.936 114 1HE2 GLN 20 1HE2 GLN 20 -2.132 -5.227 5.140 115 2HE2 GLN 20 2HE2 GLN 20 -2.421 -5.326 3.451 116 H ALA 21 H ALA 21 -6.046 -2.742 6.527 117 HA ALA 21 HA ALA 21 -6.191 -5.631 5.991 118 1HB ALA 21 1HB ALA 21 -8.142 -5.533 7.503 119 2HB ALA 21 2HB ALA 21 -8.025 -3.771 7.538 120 3HB ALA 21 3HB ALA 21 -6.732 -4.753 8.222 121 H ALA 22 H ALA 22 -7.297 -2.729 4.544 122 HA ALA 22 HA ALA 22 -9.785 -3.825 3.466 123 1HB ALA 22 1HB ALA 22 -9.850 -1.718 2.189 124 2HB ALA 22 2HB ALA 22 -8.219 -1.330 2.739 125 3HB ALA 22 3HB ALA 22 -9.543 -1.419 3.899 126 H GLY 23 H GLY 23 -6.647 -2.798 2.019 127 1HA GLY 23 2HA GLY 23 -7.188 -3.989 -0.554 128 2HA GLY 23 1HA GLY 23 -5.607 -3.544 0.064 129 H TYR 24 H TYR 24 -6.119 -5.263 2.508 130 HA TYR 24 HA TYR 24 -4.927 -7.677 1.374 131 1HB TYR 24 2HB TYR 24 -3.981 -7.074 3.448 132 2HB TYR 24 1HB TYR 24 -5.553 -6.669 4.151 133 HD1 TYR 24 1HD TYR 24 -5.551 -8.048 6.075 134 HD2 TYR 24 2HD TYR 24 -4.704 -9.741 2.213 135 HE1 TYR 24 1HE TYR 24 -5.723 -10.329 7.033 136 HE2 TYR 24 2HE TYR 24 -4.890 -12.011 3.164 137 HH TYR 24 HH TYR 24 -4.537 -12.916 5.905 138 H GLN 25 H GLN 25 -7.763 -7.154 3.533 139 HA GLN 25 HA GLN 25 -8.903 -9.664 3.336 140 1HB GLN 25 2HB GLN 25 -9.804 -7.118 4.164 141 2HB GLN 25 1HB GLN 25 -11.001 -7.640 2.991 142 1HG GLN 25 2HG GLN 25 -11.241 -9.775 4.203 143 2HG GLN 25 1HG GLN 25 -10.062 -9.213 5.403 144 1HE2 GLN 25 1HE2 GLN 25 -10.746 -7.624 6.931 145 2HE2 GLN 25 2HE2 GLN 25 -12.399 -7.133 7.048 146 H LEU 26 H LEU 26 -9.199 -7.020 0.967 147 HA LEU 26 HA LEU 26 -10.932 -8.454 -0.797 148 1HB LEU 26 2HB LEU 26 -9.810 -5.887 -0.731 149 2HB LEU 26 1HB LEU 26 -9.018 -6.624 -2.114 150 HG LEU 26 HG LEU 26 -11.105 -5.502 -2.800 151 1HD1 LEU 26 1HD1 LEU 26 -11.281 -8.537 -2.931 152 2HD1 LEU 26 2HD1 LEU 26 -10.384 -7.497 -4.040 153 3HD1 LEU 26 3HD1 LEU 26 -12.127 -7.383 -3.919 154 1HD2 LEU 26 1HD2 LEU 26 -13.205 -6.082 -1.932 155 2HD2 LEU 26 2HD2 LEU 26 -12.192 -5.966 -0.501 156 3HD2 LEU 26 3HD2 LEU 26 -12.617 -7.547 -1.159 157 H HIS 27 H HIS 27 -7.394 -8.177 -0.657 158 HA HIS 27 HA HIS 27 -6.929 -9.801 -2.987 159 1HB HIS 27 2HB HIS 27 -5.163 -8.356 -2.096 160 2HB HIS 27 1HB HIS 27 -5.155 -9.256 -0.573 161 HD1 HIS 27 1HD HIS 27 -5.188 -10.584 -4.146 162 HD2 HIS 27 2HD HIS 27 -2.824 -10.719 -0.712 163 HE1 HIS 27 1HE HIS 27 -3.308 -12.199 -4.636 164 HE2 HIS 27 2HE HIS 27 -2.127 -12.541 -2.432 165 H GLU 28 H GLU 28 -7.986 -10.625 0.196 166 HA GLU 28 HA GLU 28 -6.951 -13.379 -0.028 167 1HB GLU 28 2HB GLU 28 -6.867 -12.130 2.152 168 2HB GLU 28 1HB GLU 28 -8.628 -12.138 2.181 169 1HG GLU 28 2HG GLU 28 -8.092 -14.013 3.448 170 2HG GLU 28 1HG GLU 28 -8.405 -14.737 1.880 171 H ASP 29 H ASP 29 -9.929 -11.559 -0.416 172 HA ASP 29 HA ASP 29 -11.562 -14.022 -0.433 173 1HB ASP 29 2HB ASP 29 -12.552 -12.001 0.510 174 2HB ASP 29 1HB ASP 29 -12.259 -11.119 -0.994 175 H GLY 30 H GLY 30 -9.621 -12.306 -2.659 176 1HA GLY 30 2HA GLY 30 -9.263 -12.763 -4.920 177 2HA GLY 30 1HA GLY 30 -10.521 -13.998 -4.851 178 H GLU 31 H GLU 31 -11.836 -11.221 -3.541 179 HA GLU 31 HA GLU 31 -13.425 -10.757 -5.943 180 1HB GLU 31 2HB GLU 31 -13.498 -9.969 -3.074 181 2HB GLU 31 1HB GLU 31 -14.168 -8.767 -4.161 182 1HG GLU 31 2HG GLU 31 -14.982 -11.621 -4.600 183 2HG GLU 31 1HG GLU 31 -15.628 -10.760 -3.201 184 H THR 32 H THR 32 -13.835 -8.028 -5.991 185 HA THR 32 HA THR 32 -11.095 -6.916 -6.417 186 HB THR 32 HB THR 32 -13.263 -5.920 -8.208 187 HG1 THR 32 1HG THR 32 -13.850 -8.005 -8.443 188 1HG2 THR 32 1HG2 THR 32 -10.409 -6.084 -8.103 189 2HG2 THR 32 2HG2 THR 32 -11.460 -5.244 -9.257 190 3HG2 THR 32 3HG2 THR 32 -10.964 -6.896 -9.562 191 H VAL 33 H VAL 33 -11.417 -4.402 -6.838 192 HA VAL 33 HA VAL 33 -12.636 -3.398 -4.380 193 HB VAL 33 HB VAL 33 -11.166 -1.964 -6.624 194 1HG1 VAL 33 1HG1 VAL 33 -12.699 -0.946 -4.395 195 2HG1 VAL 33 2HG1 VAL 33 -11.707 -0.075 -5.557 196 3HG1 VAL 33 3HG1 VAL 33 -10.990 -0.676 -4.072 197 1HG2 VAL 33 1HG2 VAL 33 -9.293 -2.034 -5.047 198 2HG2 VAL 33 2HG2 VAL 33 -9.810 -3.638 -5.535 199 3HG2 VAL 33 3HG2 VAL 33 -10.249 -3.027 -3.942 200 H GLY 34 H GLY 34 -12.822 -1.307 -7.204 201 1HA GLY 34 2HA GLY 34 -15.805 -1.572 -7.131 202 2HA GLY 34 1HA GLY 34 -14.961 -0.034 -7.263 203 H SER 35 H SER 35 -14.691 -3.203 -8.920 204 HA SER 35 HA SER 35 -14.963 -3.684 -11.191 205 1HB SER 35 2HB SER 35 -16.523 -1.426 -10.944 206 2HB SER 35 1HB SER 35 -15.329 -0.891 -12.136 207 HG SER 35 HG SER 35 -15.981 -2.505 -13.468 208 H ASN 36 H ASN 36 -12.711 -1.470 -9.873 209 HA ASN 36 HA ASN 36 -11.081 -1.574 -12.369 210 1HB ASN 36 2HB ASN 36 -11.380 0.437 -10.151 211 2HB ASN 36 1HB ASN 36 -9.806 0.292 -10.944 212 1HD2 ASN 36 1HD2 ASN 36 -9.569 1.218 -12.983 213 2HD2 ASN 36 2HD2 ASN 36 -10.879 1.935 -13.852 214 H SER 37 H SER 37 -11.430 -2.978 -9.310 215 HA SER 37 HA SER 37 -10.001 -4.275 -8.045 216 1HB SER 37 2HB SER 37 -9.659 -5.263 -10.447 217 2HB SER 37 1HB SER 37 -8.162 -4.354 -10.440 218 HG SER 37 HG SER 37 -8.004 -6.565 -9.646 219 H TYR 38 H TYR 38 -7.398 -4.482 -7.635 220 HA TYR 38 HA TYR 38 -5.736 -2.335 -7.956 221 1HB TYR 38 2HB TYR 38 -7.934 -1.478 -6.348 222 2HB TYR 38 1HB TYR 38 -6.560 -1.605 -5.272 223 HD1 TYR 38 1HD TYR 38 -4.276 -1.046 -6.992 224 HD2 TYR 38 2HD TYR 38 -8.144 0.822 -6.811 225 HE1 TYR 38 1HE TYR 38 -3.307 1.034 -7.898 226 HE2 TYR 38 2HE TYR 38 -7.167 2.917 -7.714 227 HH TYR 38 HH TYR 38 -4.712 3.285 -9.324 228 HA PRO 39 HA PRO 39 -4.403 -4.618 -3.965 229 1HB PRO 39 2HB PRO 39 -6.015 -6.655 -3.106 230 2HB PRO 39 1HB PRO 39 -6.119 -4.993 -2.542 231 1HG PRO 39 2HG PRO 39 -7.929 -6.454 -4.417 232 2HG PRO 39 1HG PRO 39 -8.292 -5.100 -3.331 233 1HD PRO 39 2HD PRO 39 -7.892 -4.926 -6.087 234 2HD PRO 39 1HD PRO 39 -7.874 -3.578 -4.962 235 H HIS 40 H HIS 40 -2.797 -5.471 -5.271 236 HA HIS 40 HA HIS 40 -3.080 -8.361 -5.907 237 1HB HIS 40 2HB HIS 40 -1.577 -7.147 -8.069 238 2HB HIS 40 1HB HIS 40 -3.054 -8.115 -8.146 239 HD1 HIS 40 1HD HIS 40 -5.283 -6.915 -8.289 240 HD2 HIS 40 2HD HIS 40 -2.024 -4.318 -8.157 241 HE1 HIS 40 1HE HIS 40 -6.113 -4.678 -9.056 242 HE2 HIS 40 2HE HIS 40 -4.128 -3.161 -9.166 243 H LYS 41 H LYS 41 -0.707 -9.026 -6.852 244 HA LYS 41 HA LYS 41 1.071 -8.402 -4.665 245 1HB LYS 41 2HB LYS 41 1.466 -10.561 -5.332 246 2HB LYS 41 1HB LYS 41 1.156 -10.201 -7.023 247 1HG LYS 41 2HG LYS 41 3.618 -9.140 -5.590 248 2HG LYS 41 1HG LYS 41 3.542 -10.739 -6.288 249 1HD LYS 41 2HD LYS 41 2.569 -9.340 -8.396 250 2HD LYS 41 1HD LYS 41 3.613 -8.116 -7.683 251 1HE LYS 41 2HE LYS 41 5.461 -9.109 -8.354 252 2HE LYS 41 1HE LYS 41 4.962 -10.688 -7.744 253 1HZ LYS 41 1HZ LYS 41 5.216 -10.732 -10.128 254 2HZ LYS 41 2HZ LYS 41 4.109 -9.470 -10.321 255 3HZ LYS 41 3HZ LYS 41 3.590 -10.971 -9.728 256 H TYR 42 H TYR 42 3.171 -7.301 -4.864 257 HA TYR 42 HA TYR 42 3.271 -5.515 -7.240 258 1HB TYR 42 2HB TYR 42 2.530 -4.282 -5.227 259 2HB TYR 42 1HB TYR 42 3.979 -4.813 -4.362 260 HD1 TYR 42 1HD TYR 42 5.305 -2.904 -4.057 261 HD2 TYR 42 2HD TYR 42 3.516 -3.635 -7.896 262 HE1 TYR 42 1HE TYR 42 6.557 -0.987 -5.012 263 HE2 TYR 42 2HE TYR 42 4.773 -1.736 -8.850 264 HH TYR 42 HH TYR 42 7.273 -0.484 -7.896 265 H ASN 43 H ASN 43 5.334 -5.079 -8.085 266 HA ASN 43 HA ASN 43 7.573 -6.684 -6.904 267 1HB ASN 43 2HB ASN 43 6.898 -7.577 -9.081 268 2HB ASN 43 1HB ASN 43 7.003 -5.966 -9.803 269 1HD2 ASN 43 1HD2 ASN 43 8.570 -7.884 -10.965 270 2HD2 ASN 43 2HD2 ASN 43 10.222 -7.643 -10.520 271 H ASN 44 H ASN 44 7.579 -4.491 -5.656 272 HA ASN 44 HA ASN 44 8.254 -2.023 -6.620 273 1HB ASN 44 2HB ASN 44 10.088 -2.091 -4.637 274 2HB ASN 44 1HB ASN 44 8.354 -2.027 -4.312 275 1HD2 ASN 44 1HD2 ASN 44 7.838 -3.482 -2.713 276 2HD2 ASN 44 2HD2 ASN 44 8.594 -5.005 -2.536 277 H TYR 45 H TYR 45 10.103 -0.943 -7.391 278 HA TYR 45 HA TYR 45 12.301 -2.756 -8.357 279 1HB TYR 45 2HB TYR 45 11.187 -0.223 -9.632 280 2HB TYR 45 1HB TYR 45 12.541 -1.179 -10.257 281 HD1 TYR 45 1HD TYR 45 8.917 -0.956 -9.922 282 HD2 TYR 45 2HD TYR 45 12.189 -3.496 -11.061 283 HE1 TYR 45 1HE TYR 45 7.337 -2.458 -11.108 284 HE2 TYR 45 2HE TYR 45 10.613 -4.998 -12.247 285 HH TYR 45 HH TYR 45 7.931 -4.399 -13.337 286 H GLU 46 H GLU 46 11.498 0.554 -7.294 287 HA GLU 46 HA GLU 46 13.900 1.786 -7.171 288 1HB GLU 46 2HB GLU 46 11.438 2.145 -5.954 289 2HB GLU 46 1HB GLU 46 12.480 1.878 -4.562 290 1HG GLU 46 2HG GLU 46 13.852 3.628 -6.391 291 2HG GLU 46 1HG GLU 46 12.200 4.205 -6.188 292 H GLY 47 H GLY 47 12.785 -0.601 -4.762 293 1HA GLY 47 2HA GLY 47 14.801 -2.198 -4.239 294 2HA GLY 47 1HA GLY 47 15.568 -0.724 -3.647 295 H PHE 48 H PHE 48 12.217 -1.973 -3.336 296 HA PHE 48 HA PHE 48 12.379 -1.356 -0.422 297 1HB PHE 48 2HB PHE 48 10.060 -2.052 -2.251 298 2HB PHE 48 1HB PHE 48 9.900 -1.784 -0.535 299 HD1 PHE 48 1HD PHE 48 10.098 -0.219 -3.749 300 HD2 PHE 48 2HD PHE 48 10.685 0.449 0.454 301 HE1 PHE 48 1HE PHE 48 10.007 2.216 -4.120 302 HE2 PHE 48 2HE PHE 48 10.557 2.859 0.053 303 HZ PHE 48 HZ PHE 48 10.217 3.728 -2.199 304 H ASP 49 H ASP 49 13.650 -3.157 0.269 305 HA ASP 49 HA ASP 49 12.304 -5.818 -0.086 306 1HB ASP 49 2HB ASP 49 15.005 -5.025 -0.576 307 2HB ASP 49 1HB ASP 49 15.045 -6.072 0.840 308 H PHE 50 H PHE 50 10.949 -5.338 1.745 309 HA PHE 50 HA PHE 50 12.179 -4.853 4.368 310 1HB PHE 50 2HB PHE 50 9.350 -5.866 4.028 311 2HB PHE 50 1HB PHE 50 10.001 -4.704 5.196 312 HD1 PHE 50 1HD PHE 50 8.283 -5.044 2.130 313 HD2 PHE 50 2HD PHE 50 10.948 -2.474 4.235 314 HE1 PHE 50 1HE PHE 50 7.599 -3.197 0.646 315 HE2 PHE 50 2HE PHE 50 10.287 -0.593 2.757 316 HZ PHE 50 HZ PHE 50 8.609 -0.953 0.965 317 H SER 51 H SER 51 10.910 -6.594 6.085 318 HA SER 51 HA SER 51 12.048 -9.240 5.248 319 1HB SER 51 2HB SER 51 11.638 -7.999 7.984 320 2HB SER 51 1HB SER 51 12.151 -9.672 7.725 321 HG SER 51 HG SER 51 13.530 -7.283 7.149 322 H VAL 52 H VAL 52 9.215 -7.925 4.938 323 HA VAL 52 HA VAL 52 7.515 -9.638 6.575 324 HB VAL 52 HB VAL 52 6.965 -7.853 4.194 325 1HG1 VAL 52 1HG1 VAL 52 5.054 -9.427 5.943 326 2HG1 VAL 52 2HG1 VAL 52 5.313 -9.646 4.217 327 3HG1 VAL 52 3HG1 VAL 52 4.564 -8.175 4.803 328 1HG2 VAL 52 1HG2 VAL 52 5.781 -6.553 5.978 329 2HG2 VAL 52 2HG2 VAL 52 7.524 -6.572 6.144 330 3HG2 VAL 52 3HG2 VAL 52 6.519 -7.594 7.177 331 H SER 53 H SER 53 8.031 -9.442 3.011 332 HA SER 53 HA SER 53 8.384 -12.291 2.757 333 1HB SER 53 2HB SER 53 5.641 -11.271 2.788 334 2HB SER 53 1HB SER 53 5.984 -12.132 1.299 335 HG SER 53 HG SER 53 6.070 -13.062 3.951 336 H SER 54 H SER 54 8.518 -12.939 0.459 337 HA SER 54 HA SER 54 9.771 -10.876 -1.144 338 1HB SER 54 2HB SER 54 8.931 -13.275 -2.648 339 2HB SER 54 1HB SER 54 10.525 -12.614 -2.337 340 HG SER 54 HG SER 54 10.017 -14.719 -1.348 341 HA PRO 55 HA PRO 55 5.859 -11.302 -3.864 342 1HB PRO 55 2HB PRO 55 3.780 -12.790 -2.883 343 2HB PRO 55 1HB PRO 55 5.092 -13.452 -3.854 344 1HG PRO 55 2HG PRO 55 4.627 -13.712 -0.911 345 2HG PRO 55 1HG PRO 55 5.447 -14.828 -2.018 346 1HD PRO 55 2HD PRO 55 6.669 -13.033 -0.253 347 2HD PRO 55 1HD PRO 55 7.460 -13.908 -1.554 348 H TYR 56 H TYR 56 5.859 -9.120 -3.046 349 HA TYR 56 HA TYR 56 4.188 -8.434 -0.742 350 1HB TYR 56 2HB TYR 56 5.622 -6.840 -2.886 351 2HB TYR 56 1HB TYR 56 4.641 -6.063 -1.682 352 HD1 TYR 56 1HD TYR 56 5.089 -7.132 0.824 353 HD2 TYR 56 2HD TYR 56 7.878 -6.836 -2.422 354 HE1 TYR 56 1HE TYR 56 6.971 -7.221 2.425 355 HE2 TYR 56 2HE TYR 56 9.765 -6.904 -0.814 356 HH TYR 56 HH TYR 56 9.877 -8.007 1.868 357 H TYR 57 H TYR 57 2.652 -6.363 -1.392 358 HA TYR 57 HA TYR 57 1.122 -6.842 -3.803 359 1HB TYR 57 2HB TYR 57 -0.103 -7.259 -1.064 360 2HB TYR 57 1HB TYR 57 -1.041 -7.191 -2.555 361 HD1 TYR 57 1HD TYR 57 -1.192 -9.113 -3.996 362 HD2 TYR 57 2HD TYR 57 1.543 -9.098 -0.715 363 HE1 TYR 57 1HE TYR 57 -0.769 -11.514 -4.367 364 HE2 TYR 57 2HE TYR 57 1.937 -11.526 -1.042 365 HH TYR 57 HH TYR 57 0.286 -13.526 -2.311 366 H GLU 58 H GLU 58 0.208 -4.966 -4.507 367 HA GLU 58 HA GLU 58 0.688 -2.591 -2.788 368 1HB GLU 58 2HB GLU 58 0.219 -1.364 -4.873 369 2HB GLU 58 1HB GLU 58 1.585 -2.437 -5.025 370 1HG GLU 58 2HG GLU 58 0.400 -3.959 -6.334 371 2HG GLU 58 1HG GLU 58 -1.179 -3.362 -5.831 372 H TRP 59 H TRP 59 -0.855 -1.157 -2.207 373 HA TRP 59 HA TRP 59 -3.599 -1.260 -3.150 374 1HB TRP 59 2HB TRP 59 -3.922 -3.022 -1.570 375 2HB TRP 59 1HB TRP 59 -2.883 -2.243 -0.368 376 HD1 TRP 59 HD TRP 59 -3.962 -0.572 1.246 377 HE1 TRP 59 1HE TRP 59 -6.344 0.330 1.599 378 HE3 TRP 59 3HE TRP 59 -6.220 -2.431 -2.945 379 HZ2 TRP 59 2HZ TRP 59 -8.868 0.275 0.249 380 HZ3 TRP 59 3HZ TRP 59 -8.595 -1.986 -3.348 381 HH2 TRP 59 HH TRP 59 -9.936 -0.676 -1.820 382 HA PRO 60 HA PRO 60 -2.725 2.970 -2.015 383 1HB PRO 60 2HB PRO 60 -5.254 3.989 -2.290 384 2HB PRO 60 1HB PRO 60 -4.166 3.641 -3.632 385 1HG PRO 60 2HG PRO 60 -6.499 2.034 -2.661 386 2HG PRO 60 1HG PRO 60 -5.917 2.233 -4.312 387 1HD PRO 60 2HD PRO 60 -5.459 0.032 -2.757 388 2HD PRO 60 1HD PRO 60 -4.464 0.474 -4.109 389 H ILE 61 H ILE 61 -2.861 4.302 -0.240 390 HA ILE 61 HA ILE 61 -4.518 3.285 2.042 391 HB ILE 61 HB ILE 61 -2.292 2.860 2.673 392 1HG1 ILE 61 2HG1 ILE 61 -1.782 4.468 4.423 393 2HG1 ILE 61 1HG1 ILE 61 -2.764 5.714 3.657 394 1HG2 ILE 61 1HG2 ILE 61 -1.640 5.471 1.280 395 2HG2 ILE 61 2HG2 ILE 61 -1.087 3.848 0.882 396 3HG2 ILE 61 3HG2 ILE 61 -0.491 4.638 2.325 397 1HD1 ILE 61 1HD1 ILE 61 -4.274 4.916 5.174 398 2HD1 ILE 61 2HD1 ILE 61 -3.559 3.332 5.193 399 3HD1 ILE 61 3HD1 ILE 61 -4.633 3.782 3.906 400 H LEU 62 H LEU 62 -5.809 4.848 3.054 401 HA LEU 62 HA LEU 62 -5.486 7.669 2.098 402 1HB LEU 62 2HB LEU 62 -8.126 6.656 3.099 403 2HB LEU 62 1HB LEU 62 -7.760 7.845 1.839 404 HG LEU 62 HG LEU 62 -7.517 4.824 1.614 405 1HD1 LEU 62 1HD1 LEU 62 -9.231 4.994 0.002 406 2HD1 LEU 62 2HD1 LEU 62 -9.112 6.759 -0.076 407 3HD1 LEU 62 3HD1 LEU 62 -9.778 5.976 1.351 408 1HD2 LEU 62 1HD2 LEU 62 -7.059 6.069 -0.845 409 2HD2 LEU 62 2HD2 LEU 62 -5.925 5.177 0.070 410 3HD2 LEU 62 3HD2 LEU 62 -6.028 6.928 0.235 411 H SER 63 H SER 63 -6.614 9.224 3.702 412 HA SER 63 HA SER 63 -5.911 8.369 6.498 413 1HB SER 63 2HB SER 63 -5.523 10.907 6.802 414 2HB SER 63 1HB SER 63 -4.325 10.035 5.892 415 HG SER 63 HG SER 63 -6.331 11.767 4.963 416 H SER 64 H SER 64 -8.506 8.184 5.031 417 HA SER 64 HA SER 64 -10.101 9.939 6.861 418 1HB SER 64 2HB SER 64 -9.965 10.229 4.119 419 2HB SER 64 1HB SER 64 -11.391 9.222 4.280 420 HG SER 64 HG SER 64 -10.877 11.796 5.308 421 H GLY 65 H GLY 65 -12.579 8.695 5.735 422 1HA GLY 65 2HA GLY 65 -12.288 5.963 6.954 423 2HA GLY 65 1HA GLY 65 -13.686 7.006 7.197 424 H ASP 66 H ASP 66 -11.815 5.495 4.544 425 HA ASP 66 HA ASP 66 -14.204 4.361 3.389 426 1HB ASP 66 2HB ASP 66 -14.305 6.915 2.799 427 2HB ASP 66 1HB ASP 66 -12.989 6.562 1.681 428 H VAL 67 H VAL 67 -13.698 3.079 1.471 429 HA VAL 67 HA VAL 67 -10.814 2.338 1.386 430 HB VAL 67 HB VAL 67 -13.193 0.985 0.057 431 1HG1 VAL 67 1HG1 VAL 67 -10.939 0.449 -0.845 432 2HG1 VAL 67 2HG1 VAL 67 -11.681 -0.927 -0.067 433 3HG1 VAL 67 3HG1 VAL 67 -10.438 -0.019 0.774 434 1HG2 VAL 67 1HG2 VAL 67 -13.530 1.040 2.473 435 2HG2 VAL 67 2HG2 VAL 67 -11.876 0.490 2.748 436 3HG2 VAL 67 3HG2 VAL 67 -13.050 -0.582 1.987 437 H TYR 68 H TYR 68 -9.710 2.165 -0.706 438 HA TYR 68 HA TYR 68 -10.415 4.347 -2.470 439 1HB TYR 68 2HB TYR 68 -8.079 2.893 -1.948 440 2HB TYR 68 1HB TYR 68 -8.458 2.428 -3.611 441 HD1 TYR 68 1HD TYR 68 -6.968 3.678 -4.945 442 HD2 TYR 68 2HD TYR 68 -9.125 5.638 -1.820 443 HE1 TYR 68 1HE TYR 68 -6.092 5.856 -5.699 444 HE2 TYR 68 2HE TYR 68 -8.267 7.817 -2.555 445 HH TYR 68 HH TYR 68 -5.870 8.444 -4.090 446 H SER 69 H SER 69 -12.526 3.794 -3.182 447 HA SER 69 HA SER 69 -12.911 1.352 -4.748 448 1HB SER 69 2HB SER 69 -14.831 2.120 -3.559 449 2HB SER 69 1HB SER 69 -14.653 3.754 -4.210 450 HG SER 69 HG SER 69 -15.491 3.117 -6.084 451 H GLY 70 H GLY 70 -11.452 4.316 -5.351 452 1HA GLY 70 2HA GLY 70 -11.138 3.800 -8.150 453 2HA GLY 70 1HA GLY 70 -12.345 5.067 -7.899 454 H GLY 71 H GLY 71 -11.090 6.805 -8.663 455 1HA GLY 71 2HA GLY 71 -9.696 8.655 -8.170 456 2HA GLY 71 1HA GLY 71 -9.022 7.784 -6.793 457 H SER 72 H SER 72 -6.864 8.408 -7.561 458 HA SER 72 HA SER 72 -5.997 6.707 -9.854 459 1HB SER 72 2HB SER 72 -6.015 9.440 -9.926 460 2HB SER 72 1HB SER 72 -4.379 9.142 -9.330 461 HG SER 72 HG SER 72 -4.377 9.100 -11.578 462 HA PRO 73 HA PRO 73 -2.948 5.147 -7.052 463 1HB PRO 73 2HB PRO 73 -1.037 4.391 -8.871 464 2HB PRO 73 1HB PRO 73 -2.528 3.515 -8.618 465 1HG PRO 73 2HG PRO 73 -1.764 5.308 -10.882 466 2HG PRO 73 1HG PRO 73 -2.901 3.947 -10.875 467 1HD PRO 73 2HD PRO 73 -3.574 6.682 -10.794 468 2HD PRO 73 1HD PRO 73 -4.673 5.331 -10.473 469 H GLY 74 H GLY 74 -0.324 5.268 -6.917 470 1HA GLY 74 2HA GLY 74 1.569 6.615 -6.898 471 2HA GLY 74 1HA GLY 74 0.723 7.927 -7.697 472 H ALA 75 H ALA 75 1.811 9.258 -5.968 473 HA ALA 75 HA ALA 75 1.670 10.523 -4.046 474 1HB ALA 75 1HB ALA 75 -1.039 9.171 -3.717 475 2HB ALA 75 2HB ALA 75 -0.720 10.651 -4.592 476 3HB ALA 75 3HB ALA 75 -0.468 10.589 -2.854 477 H ASP 76 H ASP 76 -0.214 7.796 -2.705 478 HA ASP 76 HA ASP 76 2.190 6.960 -1.158 479 1HB ASP 76 2HB ASP 76 -0.549 7.394 0.078 480 2HB ASP 76 1HB ASP 76 0.965 6.998 0.909 481 H ARG 77 H ARG 77 1.994 4.783 -0.293 482 HA ARG 77 HA ARG 77 -0.295 3.143 -0.886 483 1HB ARG 77 2HB ARG 77 1.389 3.604 -3.093 484 2HB ARG 77 1HB ARG 77 1.881 2.014 -2.513 485 1HG ARG 77 2HG ARG 77 -0.182 1.062 -2.860 486 2HG ARG 77 1HG ARG 77 -1.043 2.591 -2.755 487 1HD ARG 77 2HD ARG 77 -0.975 2.868 -4.945 488 2HD ARG 77 1HD ARG 77 0.791 2.788 -4.948 489 HE ARG 77 HE ARG 77 -0.394 0.237 -4.647 490 1HH1 ARG 77 1HH1 ARG 77 -0.652 1.640 -7.626 491 2HH1 ARG 77 2HH1 ARG 77 0.760 0.914 -8.318 492 1HH2 ARG 77 1HH2 ARG 77 1.951 -0.308 -5.295 493 2HH2 ARG 77 2HH2 ARG 77 2.209 -0.227 -7.001 494 H VAL 78 H VAL 78 -0.184 1.829 0.864 495 HA VAL 78 HA VAL 78 2.462 1.112 1.985 496 HB VAL 78 HB VAL 78 0.621 1.848 3.491 497 1HG1 VAL 78 1HG1 VAL 78 -0.679 -0.822 2.871 498 2HG1 VAL 78 2HG1 VAL 78 -1.184 0.667 2.076 499 3HG1 VAL 78 3HG1 VAL 78 -1.311 0.515 3.817 500 1HG2 VAL 78 1HG2 VAL 78 1.622 -1.009 3.827 501 2HG2 VAL 78 2HG2 VAL 78 0.854 -0.056 5.086 502 3HG2 VAL 78 3HG2 VAL 78 2.370 0.463 4.420 503 H VAL 79 H VAL 79 3.363 -0.907 1.767 504 HA VAL 79 HA VAL 79 1.844 -2.874 0.107 505 HB VAL 79 HB VAL 79 4.777 -2.467 0.718 506 1HG1 VAL 79 1HG1 VAL 79 4.380 -4.904 0.898 507 2HG1 VAL 79 2HG1 VAL 79 5.213 -4.511 -0.568 508 3HG1 VAL 79 3HG1 VAL 79 3.497 -4.859 -0.615 509 1HG2 VAL 79 1HG2 VAL 79 4.952 -1.934 -1.501 510 2HG2 VAL 79 2HG2 VAL 79 3.281 -1.429 -1.241 511 3HG2 VAL 79 3HG2 VAL 79 3.620 -2.965 -1.994 512 H PHE 80 H PHE 80 2.120 -5.149 0.645 513 HA PHE 80 HA PHE 80 2.783 -5.873 3.379 514 1HB PHE 80 2HB PHE 80 0.498 -6.508 4.002 515 2HB PHE 80 1HB PHE 80 0.555 -4.797 3.593 516 HD1 PHE 80 1HD PHE 80 -0.056 -4.102 1.176 517 HD2 PHE 80 2HD PHE 80 -1.010 -7.922 2.895 518 HE1 PHE 80 1HE PHE 80 -1.801 -4.434 -0.541 519 HE2 PHE 80 2HE PHE 80 -2.769 -8.252 1.176 520 HZ PHE 80 HZ PHE 80 -3.164 -6.507 -0.543 521 H ASN 81 H ASN 81 1.468 -8.322 3.513 522 HA ASN 81 HA ASN 81 2.238 -9.634 0.934 523 1HB ASN 81 2HB ASN 81 3.438 -11.308 2.031 524 2HB ASN 81 1HB ASN 81 3.893 -9.853 2.905 525 1HD2 ASN 81 1HD2 ASN 81 2.769 -9.464 5.011 526 2HD2 ASN 81 2HD2 ASN 81 2.157 -10.826 5.859 527 H GLU 82 H GLU 82 0.363 -9.963 3.923 528 HA GLU 82 HA GLU 82 -2.046 -10.678 2.875 529 1HB GLU 82 2HB GLU 82 -0.072 -12.901 2.573 530 2HB GLU 82 1HB GLU 82 -1.563 -13.365 3.360 531 1HG GLU 82 2HG GLU 82 -2.484 -11.807 1.233 532 2HG GLU 82 1HG GLU 82 -1.102 -12.677 0.558 533 H ASN 83 H ASN 83 0.359 -11.284 5.303 534 HA ASN 83 HA ASN 83 -1.646 -12.066 7.277 535 1HB ASN 83 2HB ASN 83 1.204 -12.446 6.989 536 2HB ASN 83 1HB ASN 83 0.914 -11.563 8.485 537 1HD2 ASN 83 1HD2 ASN 83 1.848 -14.190 8.599 538 2HD2 ASN 83 2HD2 ASN 83 0.579 -15.173 9.236 539 H ASN 84 H ASN 84 -0.706 -9.214 5.920 540 HA ASN 84 HA ASN 84 -1.008 -7.032 6.534 541 1HB ASN 84 2HB ASN 84 -3.159 -7.739 7.438 542 2HB ASN 84 1HB ASN 84 -2.406 -8.294 8.928 543 1HD2 ASN 84 1HD2 ASN 84 -2.731 -6.848 10.570 544 2HD2 ASN 84 2HD2 ASN 84 -2.748 -5.133 10.367 545 H GLN 85 H GLN 85 1.381 -8.587 7.346 546 HA GLN 85 HA GLN 85 2.182 -7.706 10.006 547 1HB GLN 85 2HB GLN 85 4.232 -8.267 7.870 548 2HB GLN 85 1HB GLN 85 4.218 -8.739 9.571 549 1HG GLN 85 2HG GLN 85 1.981 -10.036 8.420 550 2HG GLN 85 1HG GLN 85 3.288 -10.168 7.253 551 1HE2 GLN 85 1HE2 GLN 85 3.271 -10.209 10.838 552 2HE2 GLN 85 2HE2 GLN 85 4.100 -11.719 10.928 553 H LEU 86 H LEU 86 2.224 -6.414 6.766 554 HA LEU 86 HA LEU 86 2.382 -4.204 6.168 555 1HB LEU 86 2HB LEU 86 2.182 -3.771 8.800 556 2HB LEU 86 1HB LEU 86 3.912 -3.413 8.655 557 HG LEU 86 HG LEU 86 2.561 -1.374 8.394 558 1HD1 LEU 86 1HD1 LEU 86 4.703 -1.887 6.992 559 2HD1 LEU 86 2HD1 LEU 86 3.666 -0.554 6.508 560 3HD1 LEU 86 3HD1 LEU 86 3.572 -2.075 5.648 561 1HD2 LEU 86 1HD2 LEU 86 0.616 -2.804 7.364 562 2HD2 LEU 86 2HD2 LEU 86 1.414 -2.463 5.825 563 3HD2 LEU 86 3HD2 LEU 86 0.856 -1.145 6.850 564 H ALA 87 H ALA 87 3.830 -4.042 4.570 565 HA ALA 87 HA ALA 87 6.627 -4.915 4.975 566 1HB ALA 87 1HB ALA 87 6.578 -5.284 2.790 567 2HB ALA 87 2HB ALA 87 5.969 -3.699 2.390 568 3HB ALA 87 3HB ALA 87 4.875 -4.995 2.840 569 H GLY 88 H GLY 88 4.860 -1.958 4.073 570 1HA GLY 88 2HA GLY 88 6.390 -0.133 5.510 571 2HA GLY 88 1HA GLY 88 7.270 -0.326 3.991 572 H VAL 89 H VAL 89 6.723 1.962 3.562 573 HA VAL 89 HA VAL 89 4.025 2.154 2.308 574 HB VAL 89 HB VAL 89 5.191 4.327 4.067 575 1HG1 VAL 89 1HG1 VAL 89 2.500 3.970 2.701 576 2HG1 VAL 89 2HG1 VAL 89 3.733 5.159 2.280 577 3HG1 VAL 89 3HG1 VAL 89 2.899 5.272 3.823 578 1HG2 VAL 89 1HG2 VAL 89 4.496 2.368 5.415 579 2HG2 VAL 89 2HG2 VAL 89 2.973 2.344 4.589 580 3HG2 VAL 89 3HG2 VAL 89 3.345 3.673 5.630 581 H ILE 90 H ILE 90 4.806 2.208 0.267 582 HA ILE 90 HA ILE 90 7.097 3.869 -0.526 583 HB ILE 90 HB ILE 90 6.396 3.118 -2.795 584 1HG1 ILE 90 2HG1 ILE 90 3.923 2.680 -1.740 585 2HG1 ILE 90 1HG1 ILE 90 4.495 1.919 -3.201 586 1HG2 ILE 90 1HG2 ILE 90 6.899 1.019 -0.715 587 2HG2 ILE 90 2HG2 ILE 90 8.057 1.930 -1.605 588 3HG2 ILE 90 3HG2 ILE 90 7.092 0.764 -2.453 589 1HD1 ILE 90 1HD1 ILE 90 5.102 -0.056 -2.100 590 2HD1 ILE 90 2HD1 ILE 90 3.506 0.376 -1.525 591 3HD1 ILE 90 3HD1 ILE 90 4.893 0.628 -0.487 592 H THR 91 H THR 91 6.904 5.847 -1.706 593 HA THR 91 HA THR 91 4.114 6.880 -1.995 594 HB THR 91 HB THR 91 5.150 7.825 0.017 595 HG1 THR 91 1HG THR 91 5.033 10.106 -0.775 596 1HG2 THR 91 1HG2 THR 91 7.485 7.869 -1.594 597 2HG2 THR 91 2HG2 THR 91 7.327 8.319 0.062 598 3HG2 THR 91 3HG2 THR 91 7.107 9.529 -1.186 599 H HIS 92 H HIS 92 3.678 7.782 -3.914 600 HA HIS 92 HA HIS 92 5.840 8.023 -5.910 601 1HB HIS 92 2HB HIS 92 2.956 7.623 -5.889 602 2HB HIS 92 1HB HIS 92 3.432 8.690 -7.191 603 HD1 HIS 92 1HD HIS 92 5.767 6.023 -6.063 604 HD2 HIS 92 2HD HIS 92 2.943 6.601 -9.063 605 HE1 HIS 92 1HE HIS 92 6.109 4.177 -7.732 606 HE2 HIS 92 2HE HIS 92 4.161 4.315 -9.340 607 H THR 93 H THR 93 6.790 9.946 -4.828 608 HA THR 93 HA THR 93 5.913 12.357 -6.114 609 HB THR 93 HB THR 93 5.072 11.955 -3.229 610 HG1 THR 93 1HG THR 93 3.124 12.512 -4.053 611 1HG2 THR 93 1HG2 THR 93 4.566 14.485 -3.380 612 2HG2 THR 93 2HG2 THR 93 5.797 14.530 -4.637 613 3HG2 THR 93 3HG2 THR 93 6.213 13.995 -3.003 614 H GLY 94 H GLY 94 7.868 13.326 -6.427 615 1HA GLY 94 2HA GLY 94 9.688 14.606 -5.353 616 2HA GLY 94 1HA GLY 94 9.843 13.333 -4.150 617 H ALA 95 H ALA 95 9.244 11.880 -7.128 618 HA ALA 95 HA ALA 95 12.106 11.864 -7.939 619 1HB ALA 95 1HB ALA 95 11.828 10.011 -6.320 620 2HB ALA 95 2HB ALA 95 12.170 9.419 -7.944 621 3HB ALA 95 3HB ALA 95 10.524 9.350 -7.308 622 H SER 96 H SER 96 12.378 11.357 -10.143 623 HA SER 96 HA SER 96 10.427 12.053 -11.975 624 1HB SER 96 2HB SER 96 12.666 10.023 -12.232 625 2HB SER 96 1HB SER 96 11.676 10.514 -13.613 626 HG SER 96 HG SER 96 13.474 12.050 -12.083 627 H GLY 97 H GLY 97 8.717 10.953 -13.052 628 1HA GLY 97 2HA GLY 97 6.953 9.400 -13.140 629 2HA GLY 97 1HA GLY 97 8.237 8.187 -13.094 630 H ASN 98 H ASN 98 7.470 10.571 -10.581 631 HA ASN 98 HA ASN 98 7.287 10.196 -8.285 632 1HB ASN 98 2HB ASN 98 5.055 8.322 -8.829 633 2HB ASN 98 1HB ASN 98 5.082 9.793 -7.902 634 1HD2 ASN 98 1HD2 ASN 98 4.425 8.417 -11.002 635 2HD2 ASN 98 2HD2 ASN 98 3.910 9.898 -11.730 636 H ASN 99 H ASN 99 9.290 8.473 -9.228 637 HA ASN 99 HA ASN 99 8.961 5.742 -8.843 638 1HB ASN 99 2HB ASN 99 11.193 7.622 -8.767 639 2HB ASN 99 1HB ASN 99 11.432 6.371 -7.548 640 1HD2 ASN 99 1HD2 ASN 99 12.878 6.743 -10.115 641 2HD2 ASN 99 2HD2 ASN 99 12.636 5.261 -10.967 642 H PHE 100 H PHE 100 8.547 4.421 -7.085 643 HA PHE 100 HA PHE 100 7.552 5.579 -4.686 644 1HB PHE 100 2HB PHE 100 8.485 2.782 -5.384 645 2HB PHE 100 1HB PHE 100 7.936 3.160 -3.758 646 HD1 PHE 100 1HD PHE 100 5.697 4.890 -3.991 647 HD2 PHE 100 2HD PHE 100 6.846 1.656 -6.552 648 HE1 PHE 100 1HE PHE 100 3.341 4.635 -4.713 649 HE2 PHE 100 2HE PHE 100 4.483 1.387 -7.280 650 HZ PHE 100 HZ PHE 100 2.733 2.882 -6.360 651 H VAL 101 H VAL 101 8.497 6.149 -2.801 652 HA VAL 101 HA VAL 101 11.336 5.351 -2.302 653 HB VAL 101 HB VAL 101 11.443 7.876 -1.372 654 1HG1 VAL 101 1HG1 VAL 101 11.825 7.009 -4.257 655 2HG1 VAL 101 2HG1 VAL 101 13.014 6.949 -2.955 656 3HG1 VAL 101 3HG1 VAL 101 12.465 8.502 -3.565 657 1HG2 VAL 101 1HG2 VAL 101 9.500 8.027 -3.710 658 2HG2 VAL 101 2HG2 VAL 101 10.286 9.386 -2.922 659 3HG2 VAL 101 3HG2 VAL 101 9.158 8.407 -2.036 660 H GLU 102 H GLU 102 11.572 4.692 -0.220 661 HA GLU 102 HA GLU 102 9.360 4.334 1.487 662 1HB GLU 102 2HB GLU 102 10.975 3.817 3.239 663 2HB GLU 102 1HB GLU 102 11.543 3.147 1.714 664 1HG GLU 102 2HG GLU 102 12.638 5.728 1.720 665 2HG GLU 102 1HG GLU 102 12.740 5.208 3.414 666 H CYS 103 H CYS 103 8.127 5.972 2.277 667 HA CYS 103 HA CYS 103 8.912 8.669 2.504 668 1HB CYS 103 2HB CYS 103 6.628 7.022 3.371 669 2HB CYS 103 1HB CYS 103 6.963 8.331 4.514 670 H THR 104 H THR 104 9.656 9.945 4.248 671 HA THR 104 HA THR 104 10.571 8.450 6.681 672 HB THR 104 HB THR 104 12.716 9.705 6.577 673 HG1 THR 104 1HG THR 104 11.832 10.541 3.980 674 1HG2 THR 104 1HG2 THR 104 12.367 7.416 5.474 675 2HG2 THR 104 2HG2 THR 104 13.739 8.369 4.912 676 3HG2 THR 104 3HG2 THR 104 12.269 8.303 3.952 Start of MODEL 20 1 1H ALA 1 1HT ALA 1 -2.564 11.460 15.941 2 2H ALA 1 2HT ALA 1 -1.671 12.851 15.466 3 3H ALA 1 3HT ALA 1 -1.886 12.499 17.128 4 HA ALA 1 HA ALA 1 0.327 11.939 16.425 5 1HB ALA 1 1HB ALA 1 -1.437 9.528 16.962 6 2HB ALA 1 2HB ALA 1 -0.752 10.600 18.182 7 3HB ALA 1 3HB ALA 1 0.313 9.596 17.200 8 H CYS 2 H CYS 2 1.676 10.558 15.065 9 HA CYS 2 HA CYS 2 0.832 8.757 13.153 10 1HB CYS 2 2HB CYS 2 0.927 10.382 11.064 11 2HB CYS 2 1HB CYS 2 -0.563 10.201 11.985 12 H ASP 3 H ASP 3 2.550 8.025 11.873 13 HA ASP 3 HA ASP 3 5.117 9.548 12.186 14 1HB ASP 3 2HB ASP 3 4.752 7.239 13.410 15 2HB ASP 3 1HB ASP 3 5.014 6.545 11.805 16 H TYR 4 H TYR 4 2.967 7.762 10.048 17 HA TYR 4 HA TYR 4 4.894 7.907 7.824 18 1HB TYR 4 2HB TYR 4 2.126 6.741 8.213 19 2HB TYR 4 1HB TYR 4 2.760 6.977 6.577 20 HD1 TYR 4 1HD TYR 4 2.461 4.602 9.051 21 HD2 TYR 4 2HD TYR 4 5.394 6.273 6.400 22 HE1 TYR 4 1HE TYR 4 3.791 2.515 9.215 23 HE2 TYR 4 2HE TYR 4 6.729 4.189 6.561 24 HH TYR 4 HH TYR 4 6.780 2.165 8.648 25 H THR 5 H THR 5 5.115 9.855 6.855 26 HA THR 5 HA THR 5 2.625 11.332 6.117 27 HB THR 5 HB THR 5 5.071 12.572 7.444 28 HG1 THR 5 1HG THR 5 3.782 11.780 9.032 29 1HG2 THR 5 1HG2 THR 5 3.021 13.673 5.702 30 2HG2 THR 5 2HG2 THR 5 4.488 14.407 6.301 31 3HG2 THR 5 3HG2 THR 5 3.022 14.448 7.273 32 H CYS 6 H CYS 6 2.701 11.611 3.938 33 HA CYS 6 HA CYS 6 5.398 11.943 2.661 34 1HB CYS 6 2HB CYS 6 2.876 10.622 1.682 35 2HB CYS 6 1HB CYS 6 4.229 10.974 0.617 36 H GLY 7 H GLY 7 3.233 13.787 3.731 37 1HA GLY 7 2HA GLY 7 3.671 15.995 2.111 38 2HA GLY 7 1HA GLY 7 2.211 15.245 1.457 39 H SER 8 H SER 8 3.545 15.990 4.705 40 HA SER 8 HA SER 8 2.518 16.958 6.552 41 1HB SER 8 2HB SER 8 1.246 18.275 4.216 42 2HB SER 8 1HB SER 8 0.257 18.300 5.669 43 HG SER 8 HG SER 8 2.823 19.363 5.243 44 H ASN 9 H ASN 9 1.494 14.351 5.143 45 HA ASN 9 HA ASN 9 -1.270 14.189 6.021 46 1HB ASN 9 2HB ASN 9 0.674 12.090 4.990 47 2HB ASN 9 1HB ASN 9 -1.037 11.791 5.324 48 1HD2 ASN 9 1HD2 ASN 9 1.101 13.740 3.297 49 2HD2 ASN 9 2HD2 ASN 9 -0.035 14.041 2.062 50 H CYS 10 H CYS 10 -1.946 13.459 7.993 51 HA CYS 10 HA CYS 10 0.153 12.615 9.905 52 1HB CYS 10 2HB CYS 10 -1.372 14.471 10.576 53 2HB CYS 10 1HB CYS 10 -2.757 13.380 10.402 54 H TYR 11 H TYR 11 -0.092 10.573 8.291 55 HA TYR 11 HA TYR 11 -2.341 8.810 8.985 56 1HB TYR 11 2HB TYR 11 0.200 8.437 7.354 57 2HB TYR 11 1HB TYR 11 -0.946 7.127 7.632 58 HD1 TYR 11 1HD TYR 11 -0.989 7.195 5.044 59 HD2 TYR 11 2HD TYR 11 -2.593 10.323 7.520 60 HE1 TYR 11 1HE TYR 11 -2.387 8.007 3.162 61 HE2 TYR 11 2HE TYR 11 -3.948 11.128 5.667 62 HH TYR 11 HH TYR 11 -3.518 10.629 2.676 63 H SER 12 H SER 12 -2.371 7.444 10.691 64 HA SER 12 HA SER 12 -0.004 7.341 12.425 65 1HB SER 12 2HB SER 12 -2.629 7.413 13.011 66 2HB SER 12 1HB SER 12 -2.391 5.672 13.058 67 HG SER 12 HG SER 12 -1.915 6.484 15.074 68 H SER 13 H SER 13 1.314 5.578 12.745 69 HA SER 13 HA SER 13 1.556 3.613 10.723 70 1HB SER 13 2HB SER 13 2.556 2.410 13.083 71 2HB SER 13 1HB SER 13 3.462 3.356 11.899 72 HG SER 13 HG SER 13 3.684 4.295 13.931 73 H SER 14 H SER 14 -0.666 3.860 13.361 74 HA SER 14 HA SER 14 -1.363 1.006 13.325 75 1HB SER 14 2HB SER 14 -1.388 2.686 15.359 76 2HB SER 14 1HB SER 14 -2.977 3.133 14.732 77 HG SER 14 HG SER 14 -3.244 1.433 16.157 78 H ASP 15 H ASP 15 -2.535 4.078 12.064 79 HA ASP 15 HA ASP 15 -5.115 3.078 11.237 80 1HB ASP 15 2HB ASP 15 -3.500 5.572 10.840 81 2HB ASP 15 1HB ASP 15 -4.695 5.218 9.589 82 H VAL 16 H VAL 16 -1.911 3.319 9.821 83 HA VAL 16 HA VAL 16 -2.580 2.721 7.133 84 HB VAL 16 HB VAL 16 -0.105 1.580 8.470 85 1HG1 VAL 16 1HG1 VAL 16 -0.634 2.875 5.768 86 2HG1 VAL 16 2HG1 VAL 16 -0.496 1.141 6.063 87 3HG1 VAL 16 3HG1 VAL 16 0.901 2.187 6.305 88 1HG2 VAL 16 1HG2 VAL 16 0.113 3.661 9.351 89 2HG2 VAL 16 2HG2 VAL 16 -0.898 4.457 8.158 90 3HG2 VAL 16 3HG2 VAL 16 0.762 4.014 7.774 91 H SER 17 H SER 17 -2.191 0.660 9.985 92 HA SER 17 HA SER 17 -2.176 -1.864 8.728 93 1HB SER 17 2HB SER 17 -2.084 -1.073 11.301 94 2HB SER 17 1HB SER 17 -3.776 -1.577 11.246 95 HG SER 17 HG SER 17 -2.189 -3.253 11.775 96 H THR 18 H THR 18 -4.907 0.241 9.634 97 HA THR 18 HA THR 18 -6.951 -1.627 8.863 98 HB THR 18 HB THR 18 -7.705 1.198 8.461 99 HG1 THR 18 1HG THR 18 -7.049 1.990 10.383 100 1HG2 THR 18 1HG2 THR 18 -9.267 -0.629 8.995 101 2HG2 THR 18 2HG2 THR 18 -9.307 0.643 10.215 102 3HG2 THR 18 3HG2 THR 18 -8.456 -0.864 10.548 103 H ALA 19 H ALA 19 -5.660 1.246 7.167 104 HA ALA 19 HA ALA 19 -6.989 0.579 4.673 105 1HB ALA 19 1HB ALA 19 -5.193 2.272 3.784 106 2HB ALA 19 2HB ALA 19 -4.851 2.503 5.505 107 3HB ALA 19 3HB ALA 19 -6.456 2.843 4.876 108 H GLN 20 H GLN 20 -4.401 -0.867 6.259 109 HA GLN 20 HA GLN 20 -3.053 -1.627 3.778 110 1HB GLN 20 2HB GLN 20 -1.628 -0.841 5.654 111 2HB GLN 20 1HB GLN 20 -2.273 -2.135 6.672 112 1HG GLN 20 2HG GLN 20 -0.087 -2.698 5.736 113 2HG GLN 20 1HG GLN 20 -1.302 -3.809 5.145 114 1HE2 GLN 20 1HE2 GLN 20 -2.231 -3.171 2.895 115 2HE2 GLN 20 2HE2 GLN 20 -1.222 -2.276 1.847 116 H ALA 21 H ALA 21 -5.487 -2.680 5.850 117 HA ALA 21 HA ALA 21 -4.991 -5.569 5.282 118 1HB ALA 21 1HB ALA 21 -7.214 -4.547 7.020 119 2HB ALA 21 2HB ALA 21 -5.582 -4.567 7.654 120 3HB ALA 21 3HB ALA 21 -6.320 -6.062 7.105 121 H ALA 22 H ALA 22 -6.710 -2.880 4.111 122 HA ALA 22 HA ALA 22 -9.091 -4.360 3.257 123 1HB ALA 22 1HB ALA 22 -9.677 -2.286 2.114 124 2HB ALA 22 2HB ALA 22 -8.065 -1.631 2.408 125 3HB ALA 22 3HB ALA 22 -9.156 -1.934 3.759 126 H GLY 23 H GLY 23 -6.013 -3.258 1.841 127 1HA GLY 23 2HA GLY 23 -6.666 -4.076 -0.863 128 2HA GLY 23 1HA GLY 23 -5.065 -3.725 -0.239 129 H TYR 24 H TYR 24 -5.974 -5.821 1.978 130 HA TYR 24 HA TYR 24 -4.838 -8.127 0.497 131 1HB TYR 24 2HB TYR 24 -3.579 -7.716 2.448 132 2HB TYR 24 1HB TYR 24 -5.003 -7.324 3.401 133 HD1 TYR 24 1HD TYR 24 -3.535 -10.159 1.433 134 HD2 TYR 24 2HD TYR 24 -5.837 -8.938 4.848 135 HE1 TYR 24 1HE TYR 24 -3.637 -12.514 2.204 136 HE2 TYR 24 2HE TYR 24 -5.942 -11.292 5.621 137 HH TYR 24 HH TYR 24 -5.639 -13.788 4.038 138 H GLN 25 H GLN 25 -7.469 -7.351 2.806 139 HA GLN 25 HA GLN 25 -8.739 -9.851 2.801 140 1HB GLN 25 2HB GLN 25 -9.318 -7.423 3.919 141 2HB GLN 25 1HB GLN 25 -10.563 -7.478 2.665 142 1HG GLN 25 2HG GLN 25 -10.871 -9.971 3.624 143 2HG GLN 25 1HG GLN 25 -10.169 -9.215 5.064 144 1HE2 GLN 25 1HE2 GLN 25 -13.060 -9.597 3.267 145 2HE2 GLN 25 2HE2 GLN 25 -13.989 -8.428 4.137 146 H LEU 26 H LEU 26 -8.965 -7.221 0.439 147 HA LEU 26 HA LEU 26 -10.952 -8.641 -1.158 148 1HB LEU 26 2HB LEU 26 -9.920 -5.978 -1.009 149 2HB LEU 26 1HB LEU 26 -9.513 -6.558 -2.622 150 HG LEU 26 HG LEU 26 -11.731 -5.472 -2.592 151 1HD1 LEU 26 1HD1 LEU 26 -12.110 -8.454 -2.944 152 2HD1 LEU 26 2HD1 LEU 26 -11.136 -7.481 -4.039 153 3HD1 LEU 26 3HD1 LEU 26 -12.837 -7.101 -3.812 154 1HD2 LEU 26 1HD2 LEU 26 -13.517 -6.265 -1.283 155 2HD2 LEU 26 2HD2 LEU 26 -12.167 -6.210 -0.159 156 3HD2 LEU 26 3HD2 LEU 26 -12.690 -7.751 -0.839 157 H HIS 27 H HIS 27 -7.494 -7.932 -1.404 158 HA HIS 27 HA HIS 27 -6.878 -9.010 -3.868 159 1HB HIS 27 2HB HIS 27 -4.807 -8.545 -3.054 160 2HB HIS 27 1HB HIS 27 -5.447 -8.478 -1.422 161 HD1 HIS 27 1HD HIS 27 -5.742 -10.979 -0.249 162 HD2 HIS 27 2HD HIS 27 -3.048 -10.565 -3.347 163 HE1 HIS 27 1HE HIS 27 -4.269 -13.023 -0.166 164 HE2 HIS 27 2HE HIS 27 -2.731 -12.847 -2.162 165 H GLU 28 H GLU 28 -7.566 -10.831 -0.891 166 HA GLU 28 HA GLU 28 -7.124 -13.360 -2.356 167 1HB GLU 28 2HB GLU 28 -6.336 -12.955 0.085 168 2HB GLU 28 1HB GLU 28 -8.014 -13.064 0.525 169 1HG GLU 28 2HG GLU 28 -7.181 -15.239 0.806 170 2HG GLU 28 1HG GLU 28 -8.055 -15.307 -0.727 171 H ASP 29 H ASP 29 -9.711 -11.542 -0.742 172 HA ASP 29 HA ASP 29 -11.787 -13.389 -0.924 173 1HB ASP 29 2HB ASP 29 -12.091 -11.114 0.009 174 2HB ASP 29 1HB ASP 29 -11.934 -10.422 -1.610 175 H GLY 30 H GLY 30 -10.024 -11.776 -3.480 176 1HA GLY 30 2HA GLY 30 -9.969 -12.367 -5.737 177 2HA GLY 30 1HA GLY 30 -11.294 -13.499 -5.471 178 H GLU 31 H GLU 31 -11.855 -10.342 -4.205 179 HA GLU 31 HA GLU 31 -13.715 -9.818 -6.483 180 1HB GLU 31 2HB GLU 31 -13.779 -9.331 -3.561 181 2HB GLU 31 1HB GLU 31 -14.427 -8.013 -4.517 182 1HG GLU 31 2HG GLU 31 -15.265 -10.820 -5.171 183 2HG GLU 31 1HG GLU 31 -15.935 -10.019 -3.744 184 H THR 32 H THR 32 -14.064 -7.114 -6.296 185 HA THR 32 HA THR 32 -11.331 -5.942 -6.449 186 HB THR 32 HB THR 32 -13.152 -4.921 -8.537 187 HG1 THR 32 1HG THR 32 -13.370 -6.761 -9.689 188 1HG2 THR 32 1HG2 THR 32 -10.397 -5.204 -8.073 189 2HG2 THR 32 2HG2 THR 32 -11.202 -4.575 -9.517 190 3HG2 THR 32 3HG2 THR 32 -10.757 -6.271 -9.428 191 H VAL 33 H VAL 33 -11.610 -3.467 -6.810 192 HA VAL 33 HA VAL 33 -13.340 -2.527 -4.620 193 HB VAL 33 HB VAL 33 -12.279 -0.270 -5.221 194 1HG1 VAL 33 1HG1 VAL 33 -10.084 -0.900 -4.361 195 2HG1 VAL 33 2HG1 VAL 33 -10.414 -2.599 -4.714 196 3HG1 VAL 33 3HG1 VAL 33 -11.358 -1.750 -3.488 197 1HG2 VAL 33 1HG2 VAL 33 -10.728 -0.098 -6.922 198 2HG2 VAL 33 2HG2 VAL 33 -11.849 -1.224 -7.663 199 3HG2 VAL 33 3HG2 VAL 33 -10.374 -1.816 -6.926 200 H GLY 34 H GLY 34 -14.090 0.042 -5.611 201 1HA GLY 34 2HA GLY 34 -16.591 -0.188 -6.573 202 2HA GLY 34 1HA GLY 34 -15.551 1.128 -7.111 203 H SER 35 H SER 35 -13.843 0.144 -8.823 204 HA SER 35 HA SER 35 -14.680 -1.949 -10.568 205 1HB SER 35 2HB SER 35 -15.314 0.084 -12.399 206 2HB SER 35 1HB SER 35 -16.457 -0.967 -11.567 207 HG SER 35 HG SER 35 -16.833 1.327 -11.294 208 H ASN 36 H ASN 36 -12.264 -0.592 -9.473 209 HA ASN 36 HA ASN 36 -10.814 -0.277 -12.055 210 1HB ASN 36 2HB ASN 36 -11.070 1.644 -9.792 211 2HB ASN 36 1HB ASN 36 -9.415 1.382 -10.351 212 1HD2 ASN 36 1HD2 ASN 36 -9.381 1.280 -12.957 213 2HD2 ASN 36 2HD2 ASN 36 -10.215 2.607 -13.683 214 H SER 37 H SER 37 -11.180 -2.191 -9.457 215 HA SER 37 HA SER 37 -9.772 -3.555 -8.240 216 1HB SER 37 2HB SER 37 -9.375 -3.963 -10.936 217 2HB SER 37 1HB SER 37 -7.726 -3.635 -10.394 218 HG SER 37 HG SER 37 -8.221 -5.846 -10.208 219 H TYR 38 H TYR 38 -7.139 -3.914 -7.960 220 HA TYR 38 HA TYR 38 -5.374 -1.843 -8.030 221 1HB TYR 38 2HB TYR 38 -7.527 -1.039 -6.290 222 2HB TYR 38 1HB TYR 38 -6.104 -1.296 -5.306 223 HD1 TYR 38 1HD TYR 38 -7.717 1.132 -7.154 224 HD2 TYR 38 2HD TYR 38 -3.815 -0.538 -6.512 225 HE1 TYR 38 1HE TYR 38 -6.683 3.244 -7.940 226 HE2 TYR 38 2HE TYR 38 -2.789 1.562 -7.293 227 HH TYR 38 HH TYR 38 -3.991 3.698 -9.061 228 HA PRO 39 HA PRO 39 -4.247 -4.562 -4.251 229 1HB PRO 39 2HB PRO 39 -5.957 -6.615 -3.649 230 2HB PRO 39 1HB PRO 39 -6.002 -5.015 -2.913 231 1HG PRO 39 2HG PRO 39 -7.826 -6.178 -4.977 232 2HG PRO 39 1HG PRO 39 -8.167 -4.953 -3.741 233 1HD PRO 39 2HD PRO 39 -7.694 -4.483 -6.445 234 2HD PRO 39 1HD PRO 39 -7.667 -3.244 -5.187 235 H HIS 40 H HIS 40 -2.649 -5.299 -5.609 236 HA HIS 40 HA HIS 40 -2.968 -8.097 -6.575 237 1HB HIS 40 2HB HIS 40 -1.286 -6.696 -8.473 238 2HB HIS 40 1HB HIS 40 -2.785 -7.583 -8.766 239 HD1 HIS 40 1HD HIS 40 -4.998 -6.256 -8.759 240 HD2 HIS 40 2HD HIS 40 -1.595 -3.912 -8.462 241 HE1 HIS 40 1HE HIS 40 -5.690 -3.916 -9.334 242 HE2 HIS 40 2HE HIS 40 -3.617 -2.507 -9.297 243 H LYS 41 H LYS 41 -0.529 -8.766 -7.341 244 HA LYS 41 HA LYS 41 1.014 -8.458 -4.940 245 1HB LYS 41 2HB LYS 41 2.468 -10.028 -5.799 246 2HB LYS 41 1HB LYS 41 1.005 -10.398 -6.704 247 1HG LYS 41 2HG LYS 41 2.102 -10.081 -8.597 248 2HG LYS 41 1HG LYS 41 2.316 -8.394 -8.235 249 1HD LYS 41 2HD LYS 41 4.511 -9.034 -8.439 250 2HD LYS 41 1HD LYS 41 4.303 -9.278 -6.703 251 1HE LYS 41 2HE LYS 41 4.796 -11.442 -6.953 252 2HE LYS 41 1HE LYS 41 3.402 -11.669 -8.013 253 1HZ LYS 41 1HZ LYS 41 6.112 -10.762 -8.858 254 2HZ LYS 41 2HZ LYS 41 4.776 -10.934 -9.885 255 3HZ LYS 41 3HZ LYS 41 5.439 -12.290 -9.126 256 H TYR 42 H TYR 42 3.019 -7.346 -4.639 257 HA TYR 42 HA TYR 42 3.458 -5.098 -6.559 258 1HB TYR 42 2HB TYR 42 2.796 -4.043 -4.603 259 2HB TYR 42 1HB TYR 42 3.468 -5.266 -3.559 260 HD1 TYR 42 1HD TYR 42 4.117 -2.187 -5.406 261 HD2 TYR 42 2HD TYR 42 5.903 -5.300 -3.112 262 HE1 TYR 42 1HE TYR 42 6.139 -0.790 -5.056 263 HE2 TYR 42 2HE TYR 42 7.913 -3.942 -2.734 264 HH TYR 42 HH TYR 42 8.134 -0.903 -2.935 265 H ASN 43 H ASN 43 5.635 -4.654 -7.134 266 HA ASN 43 HA ASN 43 7.802 -6.228 -5.912 267 1HB ASN 43 2HB ASN 43 8.457 -7.170 -8.222 268 2HB ASN 43 1HB ASN 43 7.039 -7.902 -7.462 269 1HD2 ASN 43 1HD2 ASN 43 6.662 -8.434 -9.881 270 2HD2 ASN 43 2HD2 ASN 43 5.774 -7.249 -10.772 271 H ASN 44 H ASN 44 8.733 -4.178 -5.483 272 HA ASN 44 HA ASN 44 9.575 -2.647 -7.922 273 1HB ASN 44 2HB ASN 44 8.129 -1.625 -5.966 274 2HB ASN 44 1HB ASN 44 9.697 -1.419 -5.179 275 1HD2 ASN 44 1HD2 ASN 44 8.120 -0.905 -8.373 276 2HD2 ASN 44 2HD2 ASN 44 8.917 0.601 -8.652 277 H TYR 45 H TYR 45 10.678 -3.535 -4.614 278 HA TYR 45 HA TYR 45 12.851 -3.817 -3.810 279 1HB TYR 45 2HB TYR 45 13.402 -4.802 -6.643 280 2HB TYR 45 1HB TYR 45 14.264 -5.252 -5.164 281 HD1 TYR 45 1HD TYR 45 13.325 -6.809 -3.571 282 HD2 TYR 45 2HD TYR 45 11.115 -5.613 -7.054 283 HE1 TYR 45 1HE TYR 45 11.707 -8.646 -3.178 284 HE2 TYR 45 2HE TYR 45 9.521 -7.451 -6.645 285 HH TYR 45 HH TYR 45 9.890 -9.975 -5.129 286 H GLU 46 H GLU 46 12.110 -1.276 -5.321 287 HA GLU 46 HA GLU 46 13.966 -0.202 -6.966 288 1HB GLU 46 2HB GLU 46 11.997 0.783 -5.263 289 2HB GLU 46 1HB GLU 46 13.441 1.522 -4.625 290 1HG GLU 46 2HG GLU 46 13.210 1.567 -7.583 291 2HG GLU 46 1HG GLU 46 12.037 2.526 -6.679 292 H GLY 47 H GLY 47 14.337 -0.045 -3.404 293 1HA GLY 47 2HA GLY 47 17.079 -0.890 -3.410 294 2HA GLY 47 1HA GLY 47 17.021 0.876 -3.408 295 H PHE 48 H PHE 48 14.851 -1.491 -1.824 296 HA PHE 48 HA PHE 48 15.650 -0.271 0.804 297 1HB PHE 48 2HB PHE 48 12.880 -1.372 0.476 298 2HB PHE 48 1HB PHE 48 13.480 -0.004 1.417 299 HD1 PHE 48 1HD PHE 48 14.774 1.787 -0.310 300 HD2 PHE 48 2HD PHE 48 11.339 -0.661 -1.113 301 HE1 PHE 48 1HE PHE 48 14.076 3.357 -2.095 302 HE2 PHE 48 2HE PHE 48 10.628 0.922 -2.885 303 HZ PHE 48 HZ PHE 48 12.001 2.927 -3.379 304 H ASP 49 H ASP 49 15.066 -1.771 2.662 305 HA ASP 49 HA ASP 49 15.396 -4.635 1.824 306 1HB ASP 49 2HB ASP 49 17.466 -3.500 2.839 307 2HB ASP 49 1HB ASP 49 16.570 -3.427 4.360 308 H PHE 50 H PHE 50 12.932 -4.302 2.003 309 HA PHE 50 HA PHE 50 11.609 -3.851 4.444 310 1HB PHE 50 2HB PHE 50 10.974 -5.762 2.181 311 2HB PHE 50 1HB PHE 50 9.809 -5.407 3.468 312 HD1 PHE 50 1HD PHE 50 10.343 -2.501 3.908 313 HD2 PHE 50 2HD PHE 50 9.936 -4.777 0.287 314 HE1 PHE 50 1HE PHE 50 9.572 -0.498 2.719 315 HE2 PHE 50 2HE PHE 50 9.153 -2.754 -0.898 316 HZ PHE 50 HZ PHE 50 8.988 -0.597 0.315 317 H SER 51 H SER 51 10.212 -6.001 5.310 318 HA SER 51 HA SER 51 12.015 -8.259 5.824 319 1HB SER 51 2HB SER 51 12.073 -7.944 8.256 320 2HB SER 51 1HB SER 51 12.749 -6.509 7.475 321 HG SER 51 HG SER 51 11.148 -6.097 9.165 322 H VAL 52 H VAL 52 9.406 -7.963 4.604 323 HA VAL 52 HA VAL 52 7.637 -9.233 6.672 324 HB VAL 52 HB VAL 52 6.955 -7.861 4.051 325 1HG1 VAL 52 1HG1 VAL 52 5.497 -9.823 4.680 326 2HG1 VAL 52 2HG1 VAL 52 4.669 -8.263 4.624 327 3HG1 VAL 52 3HG1 VAL 52 5.100 -8.984 6.172 328 1HG2 VAL 52 1HG2 VAL 52 6.522 -7.091 6.953 329 2HG2 VAL 52 2HG2 VAL 52 5.820 -6.300 5.557 330 3HG2 VAL 52 3HG2 VAL 52 7.558 -6.265 5.778 331 H SER 53 H SER 53 7.744 -9.429 3.083 332 HA SER 53 HA SER 53 8.541 -12.220 3.151 333 1HB SER 53 2HB SER 53 5.852 -11.779 3.680 334 2HB SER 53 1HB SER 53 5.843 -12.075 1.949 335 HG SER 53 HG SER 53 6.706 -13.747 4.047 336 H SER 54 H SER 54 8.062 -13.187 0.848 337 HA SER 54 HA SER 54 9.269 -11.357 -1.080 338 1HB SER 54 2HB SER 54 8.139 -13.867 -2.173 339 2HB SER 54 1HB SER 54 9.773 -13.231 -2.196 340 HG SER 54 HG SER 54 9.544 -15.150 -0.921 341 HA PRO 55 HA PRO 55 5.078 -11.947 -3.326 342 1HB PRO 55 2HB PRO 55 3.022 -13.051 -1.885 343 2HB PRO 55 1HB PRO 55 4.148 -13.973 -2.877 344 1HG PRO 55 2HG PRO 55 4.045 -13.723 0.103 345 2HG PRO 55 1HG PRO 55 4.624 -15.075 -0.887 346 1HD PRO 55 2HD PRO 55 6.204 -13.182 0.394 347 2HD PRO 55 1HD PRO 55 6.751 -14.285 -0.852 348 H TYR 56 H TYR 56 5.166 -9.711 -3.094 349 HA TYR 56 HA TYR 56 3.893 -8.442 -0.774 350 1HB TYR 56 2HB TYR 56 5.371 -7.500 -3.212 351 2HB TYR 56 1HB TYR 56 4.421 -6.340 -2.307 352 HD1 TYR 56 1HD TYR 56 7.579 -6.868 -2.761 353 HD2 TYR 56 2HD TYR 56 4.788 -7.284 0.466 354 HE1 TYR 56 1HE TYR 56 9.410 -6.557 -1.121 355 HE2 TYR 56 2HE TYR 56 6.594 -6.986 2.097 356 HH TYR 56 HH TYR 56 9.568 -7.423 1.679 357 H TYR 57 H TYR 57 2.497 -6.384 -1.586 358 HA TYR 57 HA TYR 57 0.755 -6.971 -3.799 359 1HB TYR 57 2HB TYR 57 -0.210 -7.265 -0.967 360 2HB TYR 57 1HB TYR 57 -1.335 -7.068 -2.324 361 HD1 TYR 57 1HD TYR 57 0.724 -9.357 -0.472 362 HD2 TYR 57 2HD TYR 57 -1.234 -8.760 -4.216 363 HE1 TYR 57 1HE TYR 57 0.905 -11.799 -0.968 364 HE2 TYR 57 2HE TYR 57 -1.047 -11.166 -4.731 365 HH TYR 57 HH TYR 57 -0.667 -13.459 -2.703 366 H GLU 58 H GLU 58 0.423 -4.995 -4.671 367 HA GLU 58 HA GLU 58 0.825 -2.604 -3.015 368 1HB GLU 58 2HB GLU 58 0.545 -1.368 -5.118 369 2HB GLU 58 1HB GLU 58 1.700 -2.677 -5.309 370 1HG GLU 58 2HG GLU 58 0.435 -3.826 -6.749 371 2HG GLU 58 1HG GLU 58 -1.077 -3.497 -5.927 372 H TRP 59 H TRP 59 -0.683 -1.118 -2.430 373 HA TRP 59 HA TRP 59 -3.424 -1.170 -3.403 374 1HB TRP 59 2HB TRP 59 -3.765 -2.926 -1.818 375 2HB TRP 59 1HB TRP 59 -2.738 -2.136 -0.618 376 HD1 TRP 59 HD TRP 59 -3.770 -0.352 0.922 377 HE1 TRP 59 1HE TRP 59 -6.170 0.461 1.344 378 HE3 TRP 59 3HE TRP 59 -6.137 -2.500 -3.078 379 HZ2 TRP 59 2HZ TRP 59 -8.764 0.216 0.134 380 HZ3 TRP 59 3HZ TRP 59 -8.561 -2.190 -3.400 381 HH2 TRP 59 HH TRP 59 -9.872 -0.844 -1.841 382 HA PRO 60 HA PRO 60 -2.607 3.061 -2.296 383 1HB PRO 60 2HB PRO 60 -5.187 4.013 -2.425 384 2HB PRO 60 1HB PRO 60 -4.163 3.698 -3.825 385 1HG PRO 60 2HG PRO 60 -6.374 2.012 -2.717 386 2HG PRO 60 1HG PRO 60 -5.933 2.259 -4.408 387 1HD PRO 60 2HD PRO 60 -5.293 0.040 -2.940 388 2HD PRO 60 1HD PRO 60 -4.368 0.557 -4.302 389 H ILE 61 H ILE 61 -2.635 4.336 -0.477 390 HA ILE 61 HA ILE 61 -4.050 3.209 1.922 391 HB ILE 61 HB ILE 61 -1.753 3.144 2.383 392 1HG1 ILE 61 2HG1 ILE 61 -1.352 4.899 4.044 393 2HG1 ILE 61 1HG1 ILE 61 -2.637 5.890 3.362 394 1HG2 ILE 61 1HG2 ILE 61 -1.593 5.783 0.917 395 2HG2 ILE 61 2HG2 ILE 61 -0.847 4.252 0.498 396 3HG2 ILE 61 3HG2 ILE 61 -0.265 5.139 1.879 397 1HD1 ILE 61 1HD1 ILE 61 -4.289 4.479 4.204 398 2HD1 ILE 61 2HD1 ILE 61 -3.081 4.346 5.430 399 3HD1 ILE 61 3HD1 ILE 61 -3.234 3.089 4.217 400 H LEU 62 H LEU 62 -5.481 4.546 3.003 401 HA LEU 62 HA LEU 62 -5.581 7.425 2.163 402 1HB LEU 62 2HB LEU 62 -8.091 6.098 3.086 403 2HB LEU 62 1HB LEU 62 -7.831 7.299 1.811 404 HG LEU 62 HG LEU 62 -7.224 4.325 1.625 405 1HD1 LEU 62 1HD1 LEU 62 -8.893 4.447 -0.154 406 2HD1 LEU 62 2HD1 LEU 62 -9.238 6.111 0.232 407 3HD1 LEU 62 3HD1 LEU 62 -9.590 4.829 1.398 408 1HD2 LEU 62 1HD2 LEU 62 -5.746 4.872 0.022 409 2HD2 LEU 62 2HD2 LEU 62 -6.095 6.601 0.179 410 3HD2 LEU 62 3HD2 LEU 62 -7.043 5.596 -0.883 411 H SER 63 H SER 63 -7.182 8.545 3.908 412 HA SER 63 HA SER 63 -6.131 7.736 6.607 413 1HB SER 63 2HB SER 63 -5.333 9.815 6.758 414 2HB SER 63 1HB SER 63 -6.025 10.280 5.194 415 HG SER 63 HG SER 63 -7.095 10.503 7.796 416 H SER 64 H SER 64 -8.890 8.188 4.644 417 HA SER 64 HA SER 64 -10.751 8.837 6.772 418 1HB SER 64 2HB SER 64 -10.798 8.648 3.912 419 2HB SER 64 1HB SER 64 -12.042 7.560 4.528 420 HG SER 64 HG SER 64 -11.772 10.339 4.890 421 H GLY 65 H GLY 65 -10.255 5.875 4.789 422 1HA GLY 65 2HA GLY 65 -9.971 3.722 5.977 423 2HA GLY 65 1HA GLY 65 -11.123 4.269 7.190 424 H ASP 66 H ASP 66 -12.005 5.217 4.018 425 HA ASP 66 HA ASP 66 -14.192 3.236 4.067 426 1HB ASP 66 2HB ASP 66 -13.902 5.930 3.158 427 2HB ASP 66 1HB ASP 66 -14.227 4.950 1.726 428 H VAL 67 H VAL 67 -11.153 2.835 3.213 429 HA VAL 67 HA VAL 67 -10.070 1.456 1.727 430 HB VAL 67 HB VAL 67 -12.913 0.580 1.060 431 1HG1 VAL 67 1HG1 VAL 67 -11.112 0.058 -0.666 432 2HG1 VAL 67 2HG1 VAL 67 -11.978 -1.302 0.010 433 3HG1 VAL 67 3HG1 VAL 67 -10.370 -0.935 0.585 434 1HG2 VAL 67 1HG2 VAL 67 -12.366 0.231 3.408 435 2HG2 VAL 67 2HG2 VAL 67 -10.830 -0.504 2.969 436 3HG2 VAL 67 3HG2 VAL 67 -12.341 -1.316 2.566 437 H TYR 68 H TYR 68 -9.177 2.012 -0.236 438 HA TYR 68 HA TYR 68 -9.950 4.177 -1.764 439 1HB TYR 68 2HB TYR 68 -7.797 2.981 -2.012 440 2HB TYR 68 1HB TYR 68 -8.620 1.654 -2.849 441 HD1 TYR 68 1HD TYR 68 -9.851 2.145 -5.020 442 HD2 TYR 68 2HD TYR 68 -7.179 4.951 -3.166 443 HE1 TYR 68 1HE TYR 68 -9.699 3.391 -7.143 444 HE2 TYR 68 2HE TYR 68 -7.002 6.187 -5.299 445 HH TYR 68 HH TYR 68 -7.441 5.322 -8.008 446 H SER 69 H SER 69 -12.010 4.467 -2.536 447 HA SER 69 HA SER 69 -13.136 2.280 -4.261 448 1HB SER 69 2HB SER 69 -14.320 3.672 -1.915 449 2HB SER 69 1HB SER 69 -15.383 3.534 -3.316 450 HG SER 69 HG SER 69 -14.191 1.492 -1.793 451 H GLY 70 H GLY 70 -11.673 5.041 -4.585 452 1HA GLY 70 2HA GLY 70 -12.303 5.875 -7.010 453 2HA GLY 70 1HA GLY 70 -13.743 6.473 -6.181 454 H GLY 71 H GLY 71 -10.188 6.528 -5.759 455 1HA GLY 71 2HA GLY 71 -10.420 9.449 -5.113 456 2HA GLY 71 1HA GLY 71 -9.477 8.371 -4.084 457 H SER 72 H SER 72 -8.652 10.688 -5.808 458 HA SER 72 HA SER 72 -7.350 10.011 -8.129 459 1HB SER 72 2HB SER 72 -6.604 12.111 -7.895 460 2HB SER 72 1HB SER 72 -7.134 12.117 -6.212 461 HG SER 72 HG SER 72 -4.861 12.507 -6.478 462 HA PRO 73 HA PRO 73 -4.508 6.855 -6.580 463 1HB PRO 73 2HB PRO 73 -3.471 6.193 -9.029 464 2HB PRO 73 1HB PRO 73 -5.046 5.665 -8.446 465 1HG PRO 73 2HG PRO 73 -4.438 7.758 -10.484 466 2HG PRO 73 1HG PRO 73 -5.856 6.705 -10.345 467 1HD PRO 73 2HD PRO 73 -5.715 9.421 -9.542 468 2HD PRO 73 1HD PRO 73 -6.994 8.263 -9.125 469 H GLY 74 H GLY 74 -2.241 6.738 -6.214 470 1HA GLY 74 2HA GLY 74 0.011 7.418 -6.719 471 2HA GLY 74 1HA GLY 74 -0.551 8.931 -7.395 472 H ALA 75 H ALA 75 1.218 9.651 -5.744 473 HA ALA 75 HA ALA 75 1.543 10.987 -3.876 474 1HB ALA 75 1HB ALA 75 -1.110 10.190 -2.681 475 2HB ALA 75 2HB ALA 75 -1.066 11.231 -4.098 476 3HB ALA 75 3HB ALA 75 -0.244 11.715 -2.627 477 H ASP 76 H ASP 76 -0.479 8.287 -2.559 478 HA ASP 76 HA ASP 76 1.982 7.316 -1.164 479 1HB ASP 76 2HB ASP 76 -0.698 8.037 0.060 480 2HB ASP 76 1HB ASP 76 0.407 6.903 0.840 481 H ARG 77 H ARG 77 1.947 5.090 -0.630 482 HA ARG 77 HA ARG 77 -0.348 3.422 -1.310 483 1HB ARG 77 2HB ARG 77 1.790 3.930 -3.297 484 2HB ARG 77 1HB ARG 77 1.496 2.212 -3.008 485 1HG ARG 77 2HG ARG 77 -0.665 2.274 -3.759 486 2HG ARG 77 1HG ARG 77 -0.886 3.986 -3.424 487 1HD ARG 77 2HD ARG 77 0.436 4.626 -5.299 488 2HD ARG 77 1HD ARG 77 1.020 2.968 -5.540 489 HE ARG 77 HE ARG 77 -1.801 3.771 -5.834 490 1HH1 ARG 77 1HH1 ARG 77 0.014 1.245 -7.077 491 2HH1 ARG 77 2HH1 ARG 77 -0.109 1.730 -8.736 492 1HH2 ARG 77 1HH2 ARG 77 -1.566 4.801 -8.007 493 2HH2 ARG 77 2HH2 ARG 77 -1.005 3.747 -9.263 494 H VAL 78 H VAL 78 -0.157 2.217 0.556 495 HA VAL 78 HA VAL 78 2.540 1.376 1.447 496 HB VAL 78 HB VAL 78 0.802 2.200 3.066 497 1HG1 VAL 78 1HG1 VAL 78 -0.601 -0.315 2.157 498 2HG1 VAL 78 2HG1 VAL 78 -1.218 1.290 2.267 499 3HG1 VAL 78 3HG1 VAL 78 -0.900 0.384 3.730 500 1HG2 VAL 78 1HG2 VAL 78 2.016 -0.558 3.359 501 2HG2 VAL 78 2HG2 VAL 78 1.149 0.222 4.669 502 3HG2 VAL 78 3HG2 VAL 78 2.583 0.966 3.987 503 H VAL 79 H VAL 79 3.221 -0.794 1.496 504 HA VAL 79 HA VAL 79 1.546 -2.697 -0.122 505 HB VAL 79 HB VAL 79 4.543 -2.361 0.163 506 1HG1 VAL 79 1HG1 VAL 79 4.048 -4.795 0.321 507 2HG1 VAL 79 2HG1 VAL 79 4.751 -4.403 -1.196 508 3HG1 VAL 79 3HG1 VAL 79 3.029 -4.661 -1.088 509 1HG2 VAL 79 1HG2 VAL 79 4.488 -2.080 -2.198 510 2HG2 VAL 79 2HG2 VAL 79 3.224 -1.043 -1.552 511 3HG2 VAL 79 3HG2 VAL 79 2.805 -2.584 -2.303 512 H PHE 80 H PHE 80 1.895 -4.984 0.439 513 HA PHE 80 HA PHE 80 2.709 -5.504 3.221 514 1HB PHE 80 2HB PHE 80 0.420 -6.625 3.564 515 2HB PHE 80 1HB PHE 80 0.446 -4.865 3.574 516 HD1 PHE 80 1HD PHE 80 -1.089 -7.707 2.155 517 HD2 PHE 80 2HD PHE 80 0.059 -3.679 1.246 518 HE1 PHE 80 1HE PHE 80 -2.730 -7.643 0.295 519 HE2 PHE 80 2HE PHE 80 -1.543 -3.624 -0.599 520 HZ PHE 80 HZ PHE 80 -2.966 -5.594 -1.080 521 H ASN 81 H ASN 81 2.052 -8.040 3.567 522 HA ASN 81 HA ASN 81 3.096 -9.392 1.100 523 1HB ASN 81 2HB ASN 81 3.921 -11.144 2.603 524 2HB ASN 81 1HB ASN 81 4.554 -9.572 3.041 525 1HD2 ASN 81 1HD2 ASN 81 3.320 -12.303 4.404 526 2HD2 ASN 81 2HD2 ASN 81 2.633 -11.615 5.825 527 H GLU 82 H GLU 82 0.841 -9.815 3.796 528 HA GLU 82 HA GLU 82 -1.356 -10.692 2.396 529 1HB GLU 82 2HB GLU 82 -1.248 -13.198 2.643 530 2HB GLU 82 1HB GLU 82 -0.086 -12.581 1.480 531 1HG GLU 82 2HG GLU 82 1.277 -12.486 3.925 532 2HG GLU 82 1HG GLU 82 0.349 -13.966 4.001 533 H ASN 83 H ASN 83 0.654 -10.966 5.229 534 HA ASN 83 HA ASN 83 -1.615 -11.772 6.912 535 1HB ASN 83 2HB ASN 83 1.184 -12.173 7.061 536 2HB ASN 83 1HB ASN 83 0.801 -11.065 8.360 537 1HD2 ASN 83 1HD2 ASN 83 0.422 -12.164 10.235 538 2HD2 ASN 83 2HD2 ASN 83 -0.412 -13.673 10.318 539 H ASN 84 H ASN 84 -0.853 -8.989 5.480 540 HA ASN 84 HA ASN 84 -1.349 -6.799 5.909 541 1HB ASN 84 2HB ASN 84 -3.474 -7.612 6.769 542 2HB ASN 84 1HB ASN 84 -2.753 -8.009 8.324 543 1HD2 ASN 84 1HD2 ASN 84 -3.322 -5.243 6.192 544 2HD2 ASN 84 2HD2 ASN 84 -3.476 -4.091 7.463 545 H GLN 85 H GLN 85 0.988 -8.367 7.361 546 HA GLN 85 HA GLN 85 1.508 -7.016 9.803 547 1HB GLN 85 2HB GLN 85 3.823 -7.719 7.982 548 2HB GLN 85 1HB GLN 85 3.639 -7.915 9.723 549 1HG GLN 85 2HG GLN 85 1.747 -9.594 9.038 550 2HG GLN 85 1HG GLN 85 2.611 -9.623 7.487 551 1HE2 GLN 85 1HE2 GLN 85 4.591 -10.747 7.413 552 2HE2 GLN 85 2HE2 GLN 85 5.260 -11.547 8.790 553 H LEU 86 H LEU 86 3.501 -6.316 6.902 554 HA LEU 86 HA LEU 86 2.692 -3.828 6.253 555 1HB LEU 86 2HB LEU 86 3.535 -3.644 8.962 556 2HB LEU 86 1HB LEU 86 4.878 -3.012 8.057 557 HG LEU 86 HG LEU 86 3.331 -1.205 8.579 558 1HD1 LEU 86 1HD1 LEU 86 3.177 -0.281 6.397 559 2HD1 LEU 86 2HD1 LEU 86 3.073 -1.856 5.623 560 3HD1 LEU 86 3HD1 LEU 86 4.590 -1.327 6.355 561 1HD2 LEU 86 1HD2 LEU 86 1.306 -2.960 7.146 562 2HD2 LEU 86 2HD2 LEU 86 1.069 -1.252 7.448 563 3HD2 LEU 86 3HD2 LEU 86 1.255 -2.360 8.793 564 H ALA 87 H ALA 87 3.695 -3.879 4.321 565 HA ALA 87 HA ALA 87 6.392 -4.954 3.978 566 1HB ALA 87 1HB ALA 87 6.121 -4.406 1.666 567 2HB ALA 87 2HB ALA 87 4.844 -3.268 2.018 568 3HB ALA 87 3HB ALA 87 4.567 -4.994 2.228 569 H GLY 88 H GLY 88 4.877 -1.736 3.927 570 1HA GLY 88 2HA GLY 88 6.593 -0.137 5.196 571 2HA GLY 88 1HA GLY 88 7.546 -0.425 3.736 572 H VAL 89 H VAL 89 6.283 2.105 4.668 573 HA VAL 89 HA VAL 89 4.095 2.509 2.715 574 HB VAL 89 HB VAL 89 5.414 4.505 4.565 575 1HG1 VAL 89 1HG1 VAL 89 2.802 4.529 3.024 576 2HG1 VAL 89 2HG1 VAL 89 4.198 5.570 2.737 577 3HG1 VAL 89 3HG1 VAL 89 3.271 5.737 4.221 578 1HG2 VAL 89 1HG2 VAL 89 2.952 2.780 4.877 579 2HG2 VAL 89 2HG2 VAL 89 3.365 4.037 5.964 580 3HG2 VAL 89 3HG2 VAL 89 4.400 2.629 5.823 581 H ILE 90 H ILE 90 4.381 3.424 0.754 582 HA ILE 90 HA ILE 90 7.021 4.711 0.137 583 HB ILE 90 HB ILE 90 6.510 3.807 -2.239 584 1HG1 ILE 90 2HG1 ILE 90 4.715 2.094 -0.495 585 2HG1 ILE 90 1HG1 ILE 90 4.325 2.889 -2.034 586 1HG2 ILE 90 1HG2 ILE 90 7.266 1.654 -0.281 587 2HG2 ILE 90 2HG2 ILE 90 8.285 3.074 -0.482 588 3HG2 ILE 90 3HG2 ILE 90 7.974 2.034 -1.854 589 1HD1 ILE 90 1HD1 ILE 90 6.488 1.015 -2.434 590 2HD1 ILE 90 2HD1 ILE 90 4.878 1.025 -3.094 591 3HD1 ILE 90 3HD1 ILE 90 5.184 0.252 -1.555 592 H THR 91 H THR 91 6.648 6.009 -2.096 593 HA THR 91 HA THR 91 3.963 7.297 -1.960 594 HB THR 91 HB THR 91 5.841 8.479 -0.589 595 HG1 THR 91 1HG THR 91 4.958 10.492 -1.256 596 1HG2 THR 91 1HG2 THR 91 6.569 9.580 -3.280 597 2HG2 THR 91 2HG2 THR 91 7.432 8.219 -2.609 598 3HG2 THR 91 3HG2 THR 91 7.420 9.754 -1.758 599 H HIS 92 H HIS 92 3.232 8.181 -3.876 600 HA HIS 92 HA HIS 92 4.643 7.325 -6.328 601 1HB HIS 92 2HB HIS 92 1.889 7.710 -5.508 602 2HB HIS 92 1HB HIS 92 2.187 8.572 -7.019 603 HD1 HIS 92 1HD HIS 92 3.586 5.248 -5.819 604 HD2 HIS 92 2HD HIS 92 1.237 6.827 -8.880 605 HE1 HIS 92 1HE HIS 92 3.108 3.365 -7.420 606 HE2 HIS 92 2HE HIS 92 1.955 4.379 -9.406 607 H THR 93 H THR 93 6.317 9.054 -5.993 608 HA THR 93 HA THR 93 5.877 11.276 -7.696 609 HB THR 93 HB THR 93 4.360 11.957 -5.707 610 HG1 THR 93 1HG THR 93 4.933 13.574 -7.055 611 1HG2 THR 93 1HG2 THR 93 6.176 11.133 -4.057 612 2HG2 THR 93 2HG2 THR 93 5.308 12.605 -3.695 613 3HG2 THR 93 3HG2 THR 93 6.934 12.691 -4.358 614 H GLY 94 H GLY 94 7.684 9.887 -5.010 615 1HA GLY 94 2HA GLY 94 9.918 11.645 -5.074 616 2HA GLY 94 1HA GLY 94 9.929 10.015 -4.453 617 H ALA 95 H ALA 95 8.856 9.497 -7.493 618 HA ALA 95 HA ALA 95 11.586 9.559 -8.705 619 1HB ALA 95 1HB ALA 95 11.669 7.340 -8.618 620 2HB ALA 95 2HB ALA 95 10.258 7.251 -9.655 621 3HB ALA 95 3HB ALA 95 10.078 7.265 -7.891 622 H SER 96 H SER 96 11.486 9.268 -11.096 623 HA SER 96 HA SER 96 9.973 11.141 -12.411 624 1HB SER 96 2HB SER 96 10.187 9.612 -14.479 625 2HB SER 96 1HB SER 96 11.689 10.000 -13.631 626 HG SER 96 HG SER 96 11.808 7.989 -12.863 627 H GLY 97 H GLY 97 7.786 11.416 -12.607 628 1HA GLY 97 2HA GLY 97 5.553 10.810 -13.099 629 2HA GLY 97 1HA GLY 97 6.035 9.115 -13.192 630 H ASN 98 H ASN 98 6.534 8.040 -11.072 631 HA ASN 98 HA ASN 98 5.586 9.337 -8.654 632 1HB ASN 98 2HB ASN 98 4.013 6.985 -8.751 633 2HB ASN 98 1HB ASN 98 3.433 8.644 -8.710 634 1HD2 ASN 98 1HD2 ASN 98 2.327 9.336 -10.522 635 2HD2 ASN 98 2HD2 ASN 98 2.342 8.499 -12.033 636 H ASN 99 H ASN 99 5.723 5.932 -9.806 637 HA ASN 99 HA ASN 99 6.904 4.129 -8.956 638 1HB ASN 99 2HB ASN 99 8.710 6.328 -9.185 639 2HB ASN 99 1HB ASN 99 9.192 5.419 -7.753 640 1HD2 ASN 99 1HD2 ASN 99 8.443 5.071 -11.231 641 2HD2 ASN 99 2HD2 ASN 99 9.451 3.683 -11.438 642 H PHE 100 H PHE 100 8.349 3.643 -6.677 643 HA PHE 100 HA PHE 100 6.700 4.802 -4.465 644 1HB PHE 100 2HB PHE 100 7.421 1.947 -4.088 645 2HB PHE 100 1HB PHE 100 5.947 2.844 -3.769 646 HD1 PHE 100 1HD PHE 100 7.858 1.812 -6.803 647 HD2 PHE 100 2HD PHE 100 4.067 2.173 -4.825 648 HE1 PHE 100 1HE PHE 100 6.731 0.827 -8.782 649 HE2 PHE 100 2HE PHE 100 2.949 1.167 -6.794 650 HZ PHE 100 HZ PHE 100 4.285 0.487 -8.768 651 H VAL 101 H VAL 101 8.139 5.807 -3.174 652 HA VAL 101 HA VAL 101 10.695 4.379 -2.548 653 HB VAL 101 HB VAL 101 11.413 6.924 -2.042 654 1HG1 VAL 101 1HG1 VAL 101 11.383 5.671 -4.806 655 2HG1 VAL 101 2HG1 VAL 101 12.572 5.349 -3.543 656 3HG1 VAL 101 3HG1 VAL 101 12.463 6.955 -4.258 657 1HG2 VAL 101 1HG2 VAL 101 9.449 7.181 -4.355 658 2HG2 VAL 101 2HG2 VAL 101 10.504 8.424 -3.699 659 3HG2 VAL 101 3HG2 VAL 101 9.200 7.799 -2.723 660 H GLU 102 H GLU 102 11.117 4.154 -0.393 661 HA GLU 102 HA GLU 102 9.029 4.393 1.484 662 1HB GLU 102 2HB GLU 102 11.976 4.497 2.178 663 2HB GLU 102 1HB GLU 102 10.654 3.903 3.190 664 1HG GLU 102 2HG GLU 102 10.440 2.423 0.790 665 2HG GLU 102 1HG GLU 102 12.178 2.540 1.115 666 H CYS 103 H CYS 103 8.124 6.208 2.345 667 HA CYS 103 HA CYS 103 9.182 8.821 1.924 668 1HB CYS 103 2HB CYS 103 6.879 7.632 3.287 669 2HB CYS 103 1HB CYS 103 7.530 8.970 4.239 670 H THR 104 H THR 104 9.544 10.331 4.002 671 HA THR 104 HA THR 104 11.617 8.931 5.669 672 HB THR 104 HB THR 104 12.837 10.979 5.742 673 HG1 THR 104 1HG THR 104 10.554 12.218 4.527 674 1HG2 THR 104 1HG2 THR 104 11.692 10.904 2.945 675 2HG2 THR 104 2HG2 THR 104 12.857 9.715 3.538 676 3HG2 THR 104 3HG2 THR 104 13.300 11.417 3.443 Start of MODEL 21 1 1H ALA 1 1HT ALA 1 -1.943 9.543 15.704 2 2H ALA 1 2HT ALA 1 -1.767 11.221 15.368 3 3H ALA 1 3HT ALA 1 -1.473 10.631 16.948 4 HA ALA 1 HA ALA 1 0.579 11.105 15.825 5 1HB ALA 1 1HB ALA 1 0.445 9.247 17.454 6 2HB ALA 1 2HB ALA 1 1.629 8.917 16.193 7 3HB ALA 1 3HB ALA 1 0.048 8.133 16.146 8 H CYS 2 H CYS 2 2.123 9.667 14.230 9 HA CYS 2 HA CYS 2 1.156 8.356 12.011 10 1HB CYS 2 2HB CYS 2 1.178 10.360 10.347 11 2HB CYS 2 1HB CYS 2 -0.279 10.107 11.296 12 H ASP 3 H ASP 3 3.054 7.460 11.380 13 HA ASP 3 HA ASP 3 5.490 9.209 11.369 14 1HB ASP 3 2HB ASP 3 5.551 7.190 12.848 15 2HB ASP 3 1HB ASP 3 5.320 6.170 11.423 16 H TYR 4 H TYR 4 3.177 8.206 9.271 17 HA TYR 4 HA TYR 4 5.116 7.623 7.086 18 1HB TYR 4 2HB TYR 4 2.178 7.033 7.520 19 2HB TYR 4 1HB TYR 4 2.829 7.072 5.874 20 HD1 TYR 4 1HD TYR 4 5.536 5.991 6.197 21 HD2 TYR 4 2HD TYR 4 1.831 4.755 7.964 22 HE1 TYR 4 1HE TYR 4 6.425 3.706 6.449 23 HE2 TYR 4 2HE TYR 4 2.703 2.445 8.194 24 HH TYR 4 HH TYR 4 5.272 1.261 6.600 25 H THR 5 H THR 5 5.626 9.990 7.282 26 HA THR 5 HA THR 5 3.559 11.796 6.185 27 HB THR 5 HB THR 5 5.130 12.595 7.941 28 HG1 THR 5 1HG THR 5 5.620 13.944 5.465 29 1HG2 THR 5 1HG2 THR 5 7.415 12.641 7.686 30 2HG2 THR 5 2HG2 THR 5 7.335 12.678 5.930 31 3HG2 THR 5 3HG2 THR 5 7.068 11.176 6.788 32 H CYS 6 H CYS 6 3.313 12.097 4.008 33 HA CYS 6 HA CYS 6 5.656 11.496 2.226 34 1HB CYS 6 2HB CYS 6 2.693 10.988 1.803 35 2HB CYS 6 1HB CYS 6 3.914 10.821 0.529 36 H GLY 7 H GLY 7 4.376 13.955 3.505 37 1HA GLY 7 2HA GLY 7 5.137 15.958 1.884 38 2HA GLY 7 1HA GLY 7 3.600 15.531 1.127 39 H SER 8 H SER 8 1.808 15.173 2.934 40 HA SER 8 HA SER 8 2.021 16.854 5.298 41 1HB SER 8 2HB SER 8 0.572 17.898 2.844 42 2HB SER 8 1HB SER 8 0.198 18.481 4.471 43 HG SER 8 HG SER 8 2.454 18.922 2.916 44 H ASN 9 H ASN 9 1.195 14.151 4.647 45 HA ASN 9 HA ASN 9 -1.740 14.290 5.254 46 1HB ASN 9 2HB ASN 9 -0.011 12.235 3.856 47 2HB ASN 9 1HB ASN 9 -1.588 11.796 4.528 48 1HD2 ASN 9 1HD2 ASN 9 -0.402 14.673 2.692 49 2HD2 ASN 9 2HD2 ASN 9 -1.690 14.618 1.578 50 H CYS 10 H CYS 10 1.397 13.112 6.372 51 HA CYS 10 HA CYS 10 1.945 11.852 8.233 52 1HB CYS 10 2HB CYS 10 1.052 14.294 8.900 53 2HB CYS 10 1HB CYS 10 -0.179 13.366 9.756 54 H TYR 11 H TYR 11 0.910 9.904 7.285 55 HA TYR 11 HA TYR 11 -1.802 9.226 8.172 56 1HB TYR 11 2HB TYR 11 0.305 8.005 6.446 57 2HB TYR 11 1HB TYR 11 -0.717 6.844 7.302 58 HD1 TYR 11 1HD TYR 11 -3.133 6.774 6.962 59 HD2 TYR 11 2HD TYR 11 -0.626 9.474 4.754 60 HE1 TYR 11 1HE TYR 11 -4.947 7.170 5.356 61 HE2 TYR 11 2HE TYR 11 -2.464 9.855 3.134 62 HH TYR 11 HH TYR 11 -5.330 9.543 3.461 63 H SER 12 H SER 12 -2.316 7.578 9.691 64 HA SER 12 HA SER 12 -0.429 7.427 11.924 65 1HB SER 12 2HB SER 12 -3.266 6.801 11.462 66 2HB SER 12 1HB SER 12 -2.472 5.769 12.649 67 HG SER 12 HG SER 12 -2.851 8.554 12.671 68 H SER 13 H SER 13 0.924 5.725 12.372 69 HA SER 13 HA SER 13 1.346 3.667 10.420 70 1HB SER 13 2HB SER 13 2.782 2.612 12.195 71 2HB SER 13 1HB SER 13 3.130 4.328 11.952 72 HG SER 13 HG SER 13 2.263 4.798 13.861 73 H SER 14 H SER 14 -1.024 4.003 12.890 74 HA SER 14 HA SER 14 -1.538 1.079 12.970 75 1HB SER 14 2HB SER 14 -2.426 1.429 15.023 76 2HB SER 14 1HB SER 14 -1.620 2.998 14.967 77 HG SER 14 HG SER 14 -4.311 2.372 14.638 78 H ASP 15 H ASP 15 -2.799 4.101 11.714 79 HA ASP 15 HA ASP 15 -5.415 3.039 11.104 80 1HB ASP 15 2HB ASP 15 -4.705 5.528 11.344 81 2HB ASP 15 1HB ASP 15 -4.159 5.410 9.665 82 H VAL 16 H VAL 16 -2.302 3.326 9.503 83 HA VAL 16 HA VAL 16 -3.081 2.677 6.861 84 HB VAL 16 HB VAL 16 -0.548 1.571 8.106 85 1HG1 VAL 16 1HG1 VAL 16 0.362 2.075 5.906 86 2HG1 VAL 16 2HG1 VAL 16 -1.147 2.832 5.403 87 3HG1 VAL 16 3HG1 VAL 16 -1.081 1.098 5.720 88 1HG2 VAL 16 1HG2 VAL 16 -0.115 3.629 8.867 89 2HG2 VAL 16 2HG2 VAL 16 -1.396 4.409 7.930 90 3HG2 VAL 16 3HG2 VAL 16 0.148 4.056 7.195 91 H SER 17 H SER 17 -2.515 0.672 9.716 92 HA SER 17 HA SER 17 -2.627 -1.874 8.478 93 1HB SER 17 2HB SER 17 -2.323 -0.999 11.054 94 2HB SER 17 1HB SER 17 -3.964 -1.648 11.129 95 HG SER 17 HG SER 17 -3.210 -3.625 10.565 96 H THR 18 H THR 18 -5.215 0.274 9.659 97 HA THR 18 HA THR 18 -7.369 -1.544 9.161 98 HB THR 18 HB THR 18 -8.172 1.217 8.630 99 HG1 THR 18 1HG THR 18 -6.681 0.903 11.040 100 1HG2 THR 18 1HG2 THR 18 -9.585 -0.529 9.641 101 2HG2 THR 18 2HG2 THR 18 -9.453 0.887 10.681 102 3HG2 THR 18 3HG2 THR 18 -8.526 -0.566 11.053 103 H ALA 19 H ALA 19 -5.850 0.975 7.163 104 HA ALA 19 HA ALA 19 -7.499 0.368 4.834 105 1HB ALA 19 1HB ALA 19 -6.134 1.961 3.694 106 2HB ALA 19 2HB ALA 19 -4.834 1.782 4.877 107 3HB ALA 19 3HB ALA 19 -6.347 2.575 5.338 108 H GLN 20 H GLN 20 -4.897 -1.200 6.348 109 HA GLN 20 HA GLN 20 -3.817 -2.284 3.888 110 1HB GLN 20 2HB GLN 20 -2.694 -1.817 6.395 111 2HB GLN 20 1HB GLN 20 -2.919 -3.556 6.411 112 1HG GLN 20 2HG GLN 20 -1.283 -1.893 4.532 113 2HG GLN 20 1HG GLN 20 -0.796 -3.284 5.485 114 1HE2 GLN 20 1HE2 GLN 20 -2.267 -2.303 2.475 115 2HE2 GLN 20 2HE2 GLN 20 -2.595 -3.877 1.907 116 H ALA 21 H ALA 21 -6.054 -3.083 6.413 117 HA ALA 21 HA ALA 21 -6.157 -5.939 5.764 118 1HB ALA 21 1HB ALA 21 -8.077 -5.960 7.316 119 2HB ALA 21 2HB ALA 21 -8.023 -4.197 7.408 120 3HB ALA 21 3HB ALA 21 -6.682 -5.155 8.032 121 H ALA 22 H ALA 22 -7.396 -3.029 4.442 122 HA ALA 22 HA ALA 22 -9.846 -4.195 3.337 123 1HB ALA 22 1HB ALA 22 -9.997 -2.034 2.143 124 2HB ALA 22 2HB ALA 22 -8.400 -1.590 2.744 125 3HB ALA 22 3HB ALA 22 -9.740 -1.800 3.870 126 H GLY 23 H GLY 23 -6.782 -2.909 1.947 127 1HA GLY 23 2HA GLY 23 -7.196 -3.995 -0.672 128 2HA GLY 23 1HA GLY 23 -5.639 -3.566 0.021 129 H TYR 24 H TYR 24 -6.070 -5.378 2.339 130 HA TYR 24 HA TYR 24 -4.853 -7.722 1.141 131 1HB TYR 24 2HB TYR 24 -4.081 -7.155 3.322 132 2HB TYR 24 1HB TYR 24 -5.728 -6.991 3.947 133 HD1 TYR 24 1HD TYR 24 -3.940 -9.630 1.966 134 HD2 TYR 24 2HD TYR 24 -6.202 -8.666 5.486 135 HE1 TYR 24 1HE TYR 24 -3.924 -12.018 2.626 136 HE2 TYR 24 2HE TYR 24 -6.182 -11.055 6.154 137 HH TYR 24 HH TYR 24 -5.754 -13.484 4.362 138 H GLN 25 H GLN 25 -7.839 -7.320 3.102 139 HA GLN 25 HA GLN 25 -8.872 -9.898 2.607 140 1HB GLN 25 2HB GLN 25 -9.761 -7.663 3.984 141 2HB GLN 25 1HB GLN 25 -10.931 -7.743 2.682 142 1HG GLN 25 2HG GLN 25 -11.895 -9.094 4.293 143 2HG GLN 25 1HG GLN 25 -11.073 -10.286 3.275 144 1HE2 GLN 25 1HE2 GLN 25 -11.620 -10.930 5.943 145 2HE2 GLN 25 2HE2 GLN 25 -10.134 -10.955 6.822 146 H LEU 26 H LEU 26 -9.849 -6.897 0.944 147 HA LEU 26 HA LEU 26 -11.444 -7.975 -1.073 148 1HB LEU 26 2HB LEU 26 -9.509 -5.649 -1.019 149 2HB LEU 26 1HB LEU 26 -10.329 -6.048 -2.518 150 HG LEU 26 HG LEU 26 -11.481 -4.320 -0.979 151 1HD1 LEU 26 1HD1 LEU 26 -12.500 -5.691 -2.892 152 2HD1 LEU 26 2HD1 LEU 26 -13.601 -5.006 -1.738 153 3HD1 LEU 26 3HD1 LEU 26 -13.184 -6.710 -1.648 154 1HD2 LEU 26 1HD2 LEU 26 -11.155 -5.625 1.122 155 2HD2 LEU 26 2HD2 LEU 26 -12.267 -6.855 0.516 156 3HD2 LEU 26 3HD2 LEU 26 -12.822 -5.225 0.807 157 H HIS 27 H HIS 27 -7.908 -7.908 -0.906 158 HA HIS 27 HA HIS 27 -7.446 -8.874 -3.552 159 1HB HIS 27 2HB HIS 27 -5.629 -7.888 -2.312 160 2HB HIS 27 1HB HIS 27 -5.772 -9.090 -1.033 161 HD1 HIS 27 1HD HIS 27 -5.948 -9.976 -4.690 162 HD2 HIS 27 2HD HIS 27 -3.281 -10.297 -1.496 163 HE1 HIS 27 1HE HIS 27 -4.093 -11.500 -5.461 164 HE2 HIS 27 2HE HIS 27 -2.641 -11.916 -3.433 165 H GLU 28 H GLU 28 -7.398 -10.668 -0.444 166 HA GLU 28 HA GLU 28 -7.360 -13.216 -1.924 167 1HB GLU 28 2HB GLU 28 -6.227 -12.525 0.420 168 2HB GLU 28 1HB GLU 28 -7.762 -13.118 1.055 169 1HG GLU 28 2HG GLU 28 -6.394 -15.020 1.025 170 2HG GLU 28 1HG GLU 28 -7.376 -15.199 -0.437 171 H ASP 29 H ASP 29 -9.812 -11.193 -1.602 172 HA ASP 29 HA ASP 29 -11.752 -13.271 -0.718 173 1HB ASP 29 2HB ASP 29 -11.629 -10.827 0.289 174 2HB ASP 29 1HB ASP 29 -12.525 -10.388 -1.167 175 H GLY 30 H GLY 30 -10.380 -12.032 -3.501 176 1HA GLY 30 2HA GLY 30 -10.998 -12.623 -5.695 177 2HA GLY 30 1HA GLY 30 -12.601 -13.086 -5.131 178 H GLU 31 H GLU 31 -12.217 -10.212 -3.662 179 HA GLU 31 HA GLU 31 -13.585 -8.788 -5.868 180 1HB GLU 31 2HB GLU 31 -14.353 -9.040 -3.313 181 2HB GLU 31 1HB GLU 31 -13.301 -7.673 -3.119 182 1HG GLU 31 2HG GLU 31 -15.259 -6.570 -3.621 183 2HG GLU 31 1HG GLU 31 -14.609 -6.746 -5.255 184 H THR 32 H THR 32 -12.900 -6.150 -4.684 185 HA THR 32 HA THR 32 -10.110 -5.764 -4.532 186 HB THR 32 HB THR 32 -10.258 -4.514 -6.983 187 HG1 THR 32 1HG THR 32 -11.481 -5.709 -8.341 188 1HG2 THR 32 1HG2 THR 32 -8.946 -6.784 -5.877 189 2HG2 THR 32 2HG2 THR 32 -8.485 -5.806 -7.252 190 3HG2 THR 32 3HG2 THR 32 -9.504 -7.197 -7.482 191 H VAL 33 H VAL 33 -11.993 -3.672 -6.654 192 HA VAL 33 HA VAL 33 -12.907 -1.992 -4.440 193 HB VAL 33 HB VAL 33 -11.517 -0.031 -5.792 194 1HG1 VAL 33 1HG1 VAL 33 -11.621 -0.450 -3.337 195 2HG1 VAL 33 2HG1 VAL 33 -9.993 -0.052 -3.903 196 3HG1 VAL 33 3HG1 VAL 33 -10.438 -1.710 -3.562 197 1HG2 VAL 33 1HG2 VAL 33 -9.360 -0.747 -6.378 198 2HG2 VAL 33 2HG2 VAL 33 -10.432 -1.891 -7.147 199 3HG2 VAL 33 3HG2 VAL 33 -9.582 -2.347 -5.679 200 H GLY 34 H GLY 34 -13.448 0.344 -5.806 201 1HA GLY 34 2HA GLY 34 -15.715 -0.385 -7.372 202 2HA GLY 34 1HA GLY 34 -15.021 1.232 -7.271 203 H SER 35 H SER 35 -14.890 -1.829 -9.031 204 HA SER 35 HA SER 35 -13.814 -2.367 -11.044 205 1HB SER 35 2HB SER 35 -15.832 -0.555 -11.416 206 2HB SER 35 1HB SER 35 -14.509 0.293 -12.211 207 HG SER 35 HG SER 35 -15.463 -1.075 -13.694 208 H ASN 36 H ASN 36 -11.910 -1.337 -9.234 209 HA ASN 36 HA ASN 36 -10.174 0.285 -11.071 210 1HB ASN 36 2HB ASN 36 -10.808 0.566 -8.163 211 2HB ASN 36 1HB ASN 36 -9.117 0.805 -8.615 212 1HD2 ASN 36 1HD2 ASN 36 -8.590 2.600 -9.993 213 2HD2 ASN 36 2HD2 ASN 36 -9.741 3.855 -10.284 214 H SER 37 H SER 37 -10.445 -2.520 -8.977 215 HA SER 37 HA SER 37 -8.892 -4.157 -8.446 216 1HB SER 37 2HB SER 37 -7.634 -3.710 -11.149 217 2HB SER 37 1HB SER 37 -8.076 -5.222 -10.344 218 HG SER 37 HG SER 37 -9.693 -3.401 -11.744 219 H TYR 38 H TYR 38 -7.852 -2.595 -6.921 220 HA TYR 38 HA TYR 38 -5.309 -1.465 -7.868 221 1HB TYR 38 2HB TYR 38 -7.243 -0.545 -6.086 222 2HB TYR 38 1HB TYR 38 -5.866 -0.955 -5.061 223 HD1 TYR 38 1HD TYR 38 -3.506 -0.405 -6.440 224 HD2 TYR 38 2HD TYR 38 -7.233 1.691 -6.701 225 HE1 TYR 38 1HE TYR 38 -2.311 1.606 -7.213 226 HE2 TYR 38 2HE TYR 38 -6.032 3.725 -7.460 227 HH TYR 38 HH TYR 38 -2.587 4.029 -7.325 228 HA PRO 39 HA PRO 39 -3.869 -4.437 -4.360 229 1HB PRO 39 2HB PRO 39 -5.265 -6.759 -4.124 230 2HB PRO 39 1HB PRO 39 -5.607 -5.297 -3.204 231 1HG PRO 39 2HG PRO 39 -7.074 -6.456 -5.506 232 2HG PRO 39 1HG PRO 39 -7.718 -5.472 -4.181 233 1HD PRO 39 2HD PRO 39 -7.126 -4.596 -6.791 234 2HD PRO 39 1HD PRO 39 -7.451 -3.556 -5.383 235 H HIS 40 H HIS 40 -2.096 -4.851 -5.743 236 HA HIS 40 HA HIS 40 -2.237 -7.475 -7.194 237 1HB HIS 40 2HB HIS 40 -0.197 -5.838 -8.420 238 2HB HIS 40 1HB HIS 40 -1.645 -6.534 -9.143 239 HD1 HIS 40 1HD HIS 40 -3.916 -5.100 -8.577 240 HD2 HIS 40 2HD HIS 40 -0.276 -3.093 -8.590 241 HE1 HIS 40 1HE HIS 40 -4.406 -2.674 -8.914 242 HE2 HIS 40 2HE HIS 40 -2.274 -1.424 -8.414 243 H LYS 41 H LYS 41 0.332 -8.010 -7.715 244 HA LYS 41 HA LYS 41 1.545 -7.935 -5.009 245 1HB LYS 41 2HB LYS 41 2.524 -9.966 -5.441 246 2HB LYS 41 1HB LYS 41 1.109 -10.101 -6.477 247 1HG LYS 41 2HG LYS 41 2.554 -10.587 -8.093 248 2HG LYS 41 1HG LYS 41 2.867 -8.873 -8.208 249 1HD LYS 41 2HD LYS 41 4.593 -9.438 -6.226 250 2HD LYS 41 1HD LYS 41 4.463 -11.064 -6.920 251 1HE LYS 41 2HE LYS 41 4.968 -8.688 -8.718 252 2HE LYS 41 1HE LYS 41 6.290 -9.428 -7.809 253 1HZ LYS 41 1HZ LYS 41 5.765 -11.566 -8.793 254 2HZ LYS 41 2HZ LYS 41 6.057 -10.420 -10.002 255 3HZ LYS 41 3HZ LYS 41 4.471 -10.889 -9.655 256 H TYR 42 H TYR 42 3.655 -7.139 -4.684 257 HA TYR 42 HA TYR 42 4.715 -5.584 -6.980 258 1HB TYR 42 2HB TYR 42 4.030 -4.236 -5.008 259 2HB TYR 42 1HB TYR 42 5.159 -5.153 -3.998 260 HD1 TYR 42 1HD TYR 42 6.423 -3.151 -3.394 261 HD2 TYR 42 2HD TYR 42 5.965 -4.305 -7.511 262 HE1 TYR 42 1HE TYR 42 8.247 -1.603 -4.047 263 HE2 TYR 42 2HE TYR 42 7.789 -2.798 -8.151 264 HH TYR 42 HH TYR 42 8.896 -0.718 -7.274 265 H ASN 43 H ASN 43 6.802 -6.011 -7.641 266 HA ASN 43 HA ASN 43 8.188 -8.302 -6.396 267 1HB ASN 43 2HB ASN 43 9.728 -8.004 -8.434 268 2HB ASN 43 1HB ASN 43 8.050 -8.449 -8.771 269 1HD2 ASN 43 1HD2 ASN 43 6.661 -6.864 -9.736 270 2HD2 ASN 43 2HD2 ASN 43 7.299 -5.392 -10.376 271 H ASN 44 H ASN 44 8.184 -5.092 -5.777 272 HA ASN 44 HA ASN 44 9.709 -3.535 -4.998 273 1HB ASN 44 2HB ASN 44 11.131 -4.447 -3.191 274 2HB ASN 44 1HB ASN 44 9.454 -4.994 -3.085 275 1HD2 ASN 44 1HD2 ASN 44 12.726 -6.049 -3.486 276 2HD2 ASN 44 2HD2 ASN 44 12.351 -7.725 -3.667 277 H TYR 45 H TYR 45 11.004 -2.655 -6.556 278 HA TYR 45 HA TYR 45 13.596 -4.052 -6.998 279 1HB TYR 45 2HB TYR 45 11.587 -3.101 -9.010 280 2HB TYR 45 1HB TYR 45 13.284 -2.772 -9.392 281 HD1 TYR 45 1HD TYR 45 14.667 -5.086 -8.184 282 HD2 TYR 45 2HD TYR 45 11.043 -4.856 -10.476 283 HE1 TYR 45 1HE TYR 45 14.989 -7.416 -8.915 284 HE2 TYR 45 2HE TYR 45 11.357 -7.206 -11.205 285 HH TYR 45 HH TYR 45 13.780 -8.773 -11.397 286 H GLU 46 H GLU 46 11.844 -1.016 -6.836 287 HA GLU 46 HA GLU 46 13.643 0.878 -7.472 288 1HB GLU 46 2HB GLU 46 11.367 0.775 -5.884 289 2HB GLU 46 1HB GLU 46 12.602 1.266 -4.735 290 1HG GLU 46 2HG GLU 46 12.935 2.722 -7.227 291 2HG GLU 46 1HG GLU 46 11.276 2.849 -6.639 292 H GLY 47 H GLY 47 13.687 -0.796 -4.310 293 1HA GLY 47 2HA GLY 47 16.210 -1.508 -3.884 294 2HA GLY 47 1HA GLY 47 16.456 0.238 -3.833 295 H PHE 48 H PHE 48 13.835 -1.850 -2.543 296 HA PHE 48 HA PHE 48 14.197 -0.445 0.077 297 1HB PHE 48 2HB PHE 48 11.852 -2.169 -0.800 298 2HB PHE 48 1HB PHE 48 11.930 -1.040 0.562 299 HD1 PHE 48 1HD PHE 48 10.573 -1.382 -2.561 300 HD2 PHE 48 2HD PHE 48 12.912 1.410 -0.281 301 HE1 PHE 48 1HE PHE 48 9.779 0.468 -4.011 302 HE2 PHE 48 2HE PHE 48 12.126 3.257 -1.741 303 HZ PHE 48 HZ PHE 48 10.560 2.770 -3.594 304 H ASP 49 H ASP 49 14.516 -1.677 1.965 305 HA ASP 49 HA ASP 49 14.999 -4.606 1.512 306 1HB ASP 49 2HB ASP 49 16.632 -2.488 2.834 307 2HB ASP 49 1HB ASP 49 16.537 -4.013 3.714 308 H PHE 50 H PHE 50 12.464 -3.875 2.137 309 HA PHE 50 HA PHE 50 11.773 -3.538 4.843 310 1HB PHE 50 2HB PHE 50 10.444 -5.343 2.797 311 2HB PHE 50 1HB PHE 50 9.657 -4.761 4.276 312 HD1 PHE 50 1HD PHE 50 8.862 -4.316 1.285 313 HD2 PHE 50 2HD PHE 50 10.975 -1.935 4.150 314 HE1 PHE 50 1HE PHE 50 8.155 -2.281 0.089 315 HE2 PHE 50 2HE PHE 50 10.285 0.104 2.959 316 HZ PHE 50 HZ PHE 50 8.870 -0.059 0.930 317 H SER 51 H SER 51 10.586 -5.530 6.061 318 HA SER 51 HA SER 51 12.482 -7.855 6.051 319 1HB SER 51 2HB SER 51 12.182 -7.771 8.633 320 2HB SER 51 1HB SER 51 13.253 -6.576 7.899 321 HG SER 51 HG SER 51 11.767 -5.616 9.363 322 H VAL 52 H VAL 52 9.563 -7.176 5.198 323 HA VAL 52 HA VAL 52 8.011 -8.954 6.966 324 HB VAL 52 HB VAL 52 7.341 -7.429 4.453 325 1HG1 VAL 52 1HG1 VAL 52 5.889 -9.318 4.374 326 2HG1 VAL 52 2HG1 VAL 52 4.941 -8.081 5.168 327 3HG1 VAL 52 3HG1 VAL 52 5.709 -9.345 6.126 328 1HG2 VAL 52 1HG2 VAL 52 5.758 -6.380 6.248 329 2HG2 VAL 52 2HG2 VAL 52 7.431 -5.854 6.132 330 3HG2 VAL 52 3HG2 VAL 52 6.947 -6.997 7.382 331 H SER 53 H SER 53 7.966 -9.000 3.387 332 HA SER 53 HA SER 53 9.115 -11.696 3.331 333 1HB SER 53 2HB SER 53 6.483 -11.671 3.879 334 2HB SER 53 1HB SER 53 6.371 -11.521 2.122 335 HG SER 53 HG SER 53 6.468 -13.722 2.979 336 H SER 54 H SER 54 8.806 -12.558 0.957 337 HA SER 54 HA SER 54 9.933 -10.518 -0.804 338 1HB SER 54 2HB SER 54 9.106 -13.010 -2.142 339 2HB SER 54 1HB SER 54 10.689 -12.279 -1.950 340 HG SER 54 HG SER 54 10.997 -13.302 -0.068 341 HA PRO 55 HA PRO 55 5.912 -11.315 -3.277 342 1HB PRO 55 2HB PRO 55 3.934 -12.761 -2.043 343 2HB PRO 55 1HB PRO 55 5.197 -13.462 -3.051 344 1HG PRO 55 2HG PRO 55 4.942 -13.499 -0.069 345 2HG PRO 55 1HG PRO 55 5.711 -14.683 -1.141 346 1HD PRO 55 2HD PRO 55 7.005 -12.745 0.388 347 2HD PRO 55 1HD PRO 55 7.729 -13.679 -0.916 348 H TYR 56 H TYR 56 5.700 -9.117 -2.875 349 HA TYR 56 HA TYR 56 4.096 -8.274 -0.535 350 1HB TYR 56 2HB TYR 56 5.847 -6.878 -2.553 351 2HB TYR 56 1HB TYR 56 4.715 -5.941 -1.618 352 HD1 TYR 56 1HD TYR 56 4.770 -7.394 0.993 353 HD2 TYR 56 2HD TYR 56 7.929 -6.245 -1.668 354 HE1 TYR 56 1HE TYR 56 6.318 -7.387 2.869 355 HE2 TYR 56 2HE TYR 56 9.512 -6.226 0.240 356 HH TYR 56 HH TYR 56 9.477 -7.565 2.705 357 H TYR 57 H TYR 57 2.655 -6.237 -1.179 358 HA TYR 57 HA TYR 57 1.255 -6.648 -3.704 359 1HB TYR 57 2HB TYR 57 -0.083 -7.034 -1.035 360 2HB TYR 57 1HB TYR 57 -0.972 -6.962 -2.567 361 HD1 TYR 57 1HD TYR 57 -0.587 -8.756 -4.268 362 HD2 TYR 57 2HD TYR 57 1.096 -8.951 -0.335 363 HE1 TYR 57 1HE TYR 57 -0.147 -11.166 -4.595 364 HE2 TYR 57 2HE TYR 57 1.535 -11.388 -0.652 365 HH TYR 57 HH TYR 57 1.775 -12.898 -3.309 366 H GLU 58 H GLU 58 0.524 -4.723 -4.444 367 HA GLU 58 HA GLU 58 0.902 -2.368 -2.683 368 1HB GLU 58 2HB GLU 58 0.489 -1.084 -4.830 369 2HB GLU 58 1HB GLU 58 1.891 -2.158 -4.849 370 1HG GLU 58 2HG GLU 58 -0.606 -3.488 -5.733 371 2HG GLU 58 1HG GLU 58 -0.106 -2.111 -6.703 372 H TRP 59 H TRP 59 -0.718 -0.981 -2.080 373 HA TRP 59 HA TRP 59 -3.415 -1.182 -3.166 374 1HB TRP 59 2HB TRP 59 -3.708 -3.000 -1.670 375 2HB TRP 59 1HB TRP 59 -2.734 -2.236 -0.408 376 HD1 TRP 59 HD TRP 59 -3.906 -0.644 1.229 377 HE1 TRP 59 1HE TRP 59 -6.349 0.066 1.609 378 HE3 TRP 59 3HE TRP 59 -6.030 -2.558 -3.006 379 HZ2 TRP 59 2HZ TRP 59 -8.877 -0.158 0.270 380 HZ3 TRP 59 3HZ TRP 59 -8.450 -2.300 -3.420 381 HH2 TRP 59 HH TRP 59 -9.851 -1.125 -1.794 382 HA PRO 60 HA PRO 60 -2.947 3.067 -1.902 383 1HB PRO 60 2HB PRO 60 -5.557 3.848 -2.222 384 2HB PRO 60 1HB PRO 60 -4.417 3.637 -3.545 385 1HG PRO 60 2HG PRO 60 -6.596 1.791 -2.654 386 2HG PRO 60 1HG PRO 60 -6.028 2.099 -4.283 387 1HD PRO 60 2HD PRO 60 -5.379 -0.099 -2.787 388 2HD PRO 60 1HD PRO 60 -4.393 0.477 -4.079 389 H ILE 61 H ILE 61 -3.337 4.386 -0.107 390 HA ILE 61 HA ILE 61 -4.934 3.127 2.107 391 HB ILE 61 HB ILE 61 -2.777 2.919 2.919 392 1HG1 ILE 61 2HG1 ILE 61 -2.344 4.698 4.536 393 2HG1 ILE 61 1HG1 ILE 61 -3.369 5.816 3.643 394 1HG2 ILE 61 1HG2 ILE 61 -1.576 3.823 1.071 395 2HG2 ILE 61 2HG2 ILE 61 -0.993 4.663 2.484 396 3HG2 ILE 61 3HG2 ILE 61 -2.131 5.454 1.392 397 1HD1 ILE 61 1HD1 ILE 61 -5.136 3.811 4.061 398 2HD1 ILE 61 2HD1 ILE 61 -4.881 5.090 5.186 399 3HD1 ILE 61 3HD1 ILE 61 -4.078 3.579 5.411 400 H LEU 62 H LEU 62 -6.548 4.424 2.893 401 HA LEU 62 HA LEU 62 -6.414 7.353 2.264 402 1HB LEU 62 2HB LEU 62 -9.048 6.051 2.801 403 2HB LEU 62 1HB LEU 62 -8.620 7.364 1.692 404 HG LEU 62 HG LEU 62 -8.140 4.394 1.285 405 1HD1 LEU 62 1HD1 LEU 62 -10.168 4.619 0.352 406 2HD1 LEU 62 2HD1 LEU 62 -9.352 5.472 -0.952 407 3HD1 LEU 62 3HD1 LEU 62 -10.103 6.376 0.349 408 1HD2 LEU 62 1HD2 LEU 62 -7.408 5.838 -1.019 409 2HD2 LEU 62 2HD2 LEU 62 -6.359 4.950 0.031 410 3HD2 LEU 62 3HD2 LEU 62 -6.606 6.679 0.280 411 H SER 63 H SER 63 -7.876 8.617 3.875 412 HA SER 63 HA SER 63 -7.557 7.433 6.621 413 1HB SER 63 2HB SER 63 -6.652 10.045 5.506 414 2HB SER 63 1HB SER 63 -7.383 10.108 7.110 415 HG SER 63 HG SER 63 -5.054 9.680 7.010 416 H SER 64 H SER 64 -9.863 7.518 4.716 417 HA SER 64 HA SER 64 -11.711 9.330 6.207 418 1HB SER 64 2HB SER 64 -11.413 8.829 3.482 419 2HB SER 64 1HB SER 64 -12.822 7.858 3.916 420 HG SER 64 HG SER 64 -12.434 10.639 4.140 421 H GLY 65 H GLY 65 -10.715 6.057 6.007 422 1HA GLY 65 2HA GLY 65 -11.477 4.401 7.535 423 2HA GLY 65 1HA GLY 65 -13.004 5.257 7.728 424 H ASP 66 H ASP 66 -12.640 5.410 4.510 425 HA ASP 66 HA ASP 66 -14.248 2.955 4.100 426 1HB ASP 66 2HB ASP 66 -13.720 5.237 2.172 427 2HB ASP 66 1HB ASP 66 -14.996 4.013 2.088 428 H VAL 67 H VAL 67 -13.848 1.942 1.847 429 HA VAL 67 HA VAL 67 -10.960 1.270 1.687 430 HB VAL 67 HB VAL 67 -13.391 0.130 0.257 431 1HG1 VAL 67 1HG1 VAL 67 -10.559 -0.877 0.423 432 2HG1 VAL 67 2HG1 VAL 67 -11.275 -0.162 -1.016 433 3HG1 VAL 67 3HG1 VAL 67 -11.876 -1.681 -0.391 434 1HG2 VAL 67 1HG2 VAL 67 -13.429 -0.298 2.664 435 2HG2 VAL 67 2HG2 VAL 67 -11.758 -0.860 2.619 436 3HG2 VAL 67 3HG2 VAL 67 -13.024 -1.782 1.807 437 H TYR 68 H TYR 68 -9.761 1.551 -0.300 438 HA TYR 68 HA TYR 68 -10.095 3.913 -1.684 439 1HB TYR 68 2HB TYR 68 -8.045 2.664 -1.911 440 2HB TYR 68 1HB TYR 68 -8.887 1.357 -2.758 441 HD1 TYR 68 1HD TYR 68 -7.231 4.525 -3.118 442 HD2 TYR 68 2HD TYR 68 -10.080 1.905 -4.967 443 HE1 TYR 68 1HE TYR 68 -6.942 5.710 -5.270 444 HE2 TYR 68 2HE TYR 68 -9.824 3.117 -7.087 445 HH TYR 68 HH TYR 68 -8.763 5.949 -7.520 446 H SER 69 H SER 69 -11.738 4.660 -2.904 447 HA SER 69 HA SER 69 -13.082 2.733 -4.769 448 1HB SER 69 2HB SER 69 -14.746 2.848 -3.141 449 2HB SER 69 1HB SER 69 -14.314 4.495 -2.662 450 HG SER 69 HG SER 69 -15.801 3.626 -4.893 451 H GLY 70 H GLY 70 -11.113 5.229 -4.769 452 1HA GLY 70 2HA GLY 70 -11.039 6.232 -7.128 453 2HA GLY 70 1HA GLY 70 -12.649 6.854 -6.769 454 H GLY 71 H GLY 71 -9.938 8.196 -7.216 455 1HA GLY 71 2HA GLY 71 -10.005 10.558 -6.100 456 2HA GLY 71 1HA GLY 71 -9.703 9.670 -4.607 457 H SER 72 H SER 72 -7.588 9.896 -4.065 458 HA SER 72 HA SER 72 -5.549 10.537 -5.975 459 1HB SER 72 2HB SER 72 -4.033 9.806 -3.919 460 2HB SER 72 1HB SER 72 -5.015 11.273 -3.853 461 HG SER 72 HG SER 72 -5.223 9.762 -2.025 462 HA PRO 73 HA PRO 73 -4.971 6.216 -7.207 463 1HB PRO 73 2HB PRO 73 -3.179 6.765 -9.208 464 2HB PRO 73 1HB PRO 73 -4.923 6.954 -9.373 465 1HG PRO 73 2HG PRO 73 -2.836 9.076 -9.044 466 2HG PRO 73 1HG PRO 73 -4.409 9.168 -9.849 467 1HD PRO 73 2HD PRO 73 -3.809 10.148 -7.259 468 2HD PRO 73 1HD PRO 73 -5.425 9.939 -7.959 469 H GLY 74 H GLY 74 -2.026 8.301 -7.252 470 1HA GLY 74 2HA GLY 74 -0.511 6.098 -6.043 471 2HA GLY 74 1HA GLY 74 0.140 7.498 -6.798 472 H ALA 75 H ALA 75 0.914 9.051 -5.405 473 HA ALA 75 HA ALA 75 1.275 10.250 -3.469 474 1HB ALA 75 1HB ALA 75 -1.628 9.496 -2.976 475 2HB ALA 75 2HB ALA 75 -1.033 10.928 -3.786 476 3HB ALA 75 3HB ALA 75 -0.723 10.700 -2.070 477 H ASP 76 H ASP 76 -1.025 8.027 -1.864 478 HA ASP 76 HA ASP 76 1.319 6.897 -0.389 479 1HB ASP 76 2HB ASP 76 -1.445 7.433 0.745 480 2HB ASP 76 1HB ASP 76 -0.001 6.906 1.624 481 H ARG 77 H ARG 77 1.433 4.720 -0.360 482 HA ARG 77 HA ARG 77 -1.009 3.077 -0.654 483 1HB ARG 77 2HB ARG 77 0.438 1.743 -2.484 484 2HB ARG 77 1HB ARG 77 -0.670 3.032 -2.884 485 1HG ARG 77 2HG ARG 77 2.126 3.862 -2.209 486 2HG ARG 77 1HG ARG 77 1.897 2.981 -3.705 487 1HD ARG 77 2HD ARG 77 0.676 5.624 -2.956 488 2HD ARG 77 1HD ARG 77 1.659 5.215 -4.342 489 HE ARG 77 HE ARG 77 -1.154 4.639 -3.938 490 1HH1 ARG 77 1HH1 ARG 77 0.845 4.838 -6.612 491 2HH1 ARG 77 2HH1 ARG 77 0.438 3.309 -7.282 492 1HH2 ARG 77 1HH2 ARG 77 -1.381 2.284 -4.509 493 2HH2 ARG 77 2HH2 ARG 77 -0.756 1.835 -6.050 494 H VAL 78 H VAL 78 -0.672 1.910 1.181 495 HA VAL 78 HA VAL 78 1.998 1.165 2.072 496 HB VAL 78 HB VAL 78 0.240 1.628 3.693 497 1HG1 VAL 78 1HG1 VAL 78 -1.668 0.146 3.947 498 2HG1 VAL 78 2HG1 VAL 78 -1.108 -0.856 2.632 499 3HG1 VAL 78 3HG1 VAL 78 -1.665 0.772 2.315 500 1HG2 VAL 78 1HG2 VAL 78 0.979 -1.316 3.777 501 2HG2 VAL 78 2HG2 VAL 78 0.573 -0.275 5.122 502 3HG2 VAL 78 3HG2 VAL 78 2.073 -0.010 4.247 503 H VAL 79 H VAL 79 3.019 -0.794 1.852 504 HA VAL 79 HA VAL 79 1.714 -2.793 0.066 505 HB VAL 79 HB VAL 79 4.579 -2.303 0.892 506 1HG1 VAL 79 1HG1 VAL 79 4.145 -4.787 0.826 507 2HG1 VAL 79 2HG1 VAL 79 5.181 -4.257 -0.454 508 3HG1 VAL 79 3HG1 VAL 79 3.487 -4.576 -0.774 509 1HG2 VAL 79 1HG2 VAL 79 4.944 -1.784 -1.363 510 2HG2 VAL 79 2HG2 VAL 79 3.391 -1.023 -0.980 511 3HG2 VAL 79 3HG2 VAL 79 3.430 -2.525 -1.886 512 H PHE 80 H PHE 80 2.125 -5.117 0.662 513 HA PHE 80 HA PHE 80 2.598 -5.656 3.493 514 1HB PHE 80 2HB PHE 80 0.248 -6.518 3.818 515 2HB PHE 80 1HB PHE 80 0.373 -4.780 3.575 516 HD1 PHE 80 1HD PHE 80 -1.180 -7.765 2.437 517 HD2 PHE 80 2HD PHE 80 0.081 -3.874 1.139 518 HE1 PHE 80 1HE PHE 80 -2.709 -7.901 0.489 519 HE2 PHE 80 2HE PHE 80 -1.406 -4.019 -0.808 520 HZ PHE 80 HZ PHE 80 -2.822 -6.028 -1.134 521 H ASN 81 H ASN 81 1.602 -8.115 3.807 522 HA ASN 81 HA ASN 81 2.762 -9.624 1.499 523 1HB ASN 81 2HB ASN 81 4.013 -10.029 3.513 524 2HB ASN 81 1HB ASN 81 2.538 -10.296 4.431 525 1HD2 ASN 81 1HD2 ASN 81 3.275 -11.555 1.166 526 2HD2 ASN 81 2HD2 ASN 81 3.193 -13.198 1.657 527 H GLU 82 H GLU 82 0.651 -10.748 4.113 528 HA GLU 82 HA GLU 82 -1.662 -10.998 2.356 529 1HB GLU 82 2HB GLU 82 -1.742 -13.465 2.385 530 2HB GLU 82 1HB GLU 82 -0.257 -12.903 1.601 531 1HG GLU 82 2HG GLU 82 0.858 -13.162 3.896 532 2HG GLU 82 1HG GLU 82 -0.585 -14.024 4.384 533 H ASN 83 H ASN 83 -0.765 -10.025 5.090 534 HA ASN 83 HA ASN 83 -3.113 -11.032 6.536 535 1HB ASN 83 2HB ASN 83 -1.422 -12.624 7.298 536 2HB ASN 83 1HB ASN 83 -0.271 -11.313 7.592 537 1HD2 ASN 83 1HD2 ASN 83 -3.763 -11.361 8.424 538 2HD2 ASN 83 2HD2 ASN 83 -3.472 -11.194 10.109 539 H ASN 84 H ASN 84 -2.878 -8.587 5.435 540 HA ASN 84 HA ASN 84 -2.676 -6.309 5.840 541 1HB ASN 84 2HB ASN 84 -3.754 -5.570 7.882 542 2HB ASN 84 1HB ASN 84 -4.598 -7.020 7.329 543 1HD2 ASN 84 1HD2 ASN 84 -4.914 -8.548 8.919 544 2HD2 ASN 84 2HD2 ASN 84 -3.937 -8.696 10.337 545 H GLN 85 H GLN 85 -0.277 -8.008 6.280 546 HA GLN 85 HA GLN 85 1.147 -7.077 8.590 547 1HB GLN 85 2HB GLN 85 1.756 -8.566 6.083 548 2HB GLN 85 1HB GLN 85 3.125 -7.673 6.723 549 1HG GLN 85 2HG GLN 85 2.803 -8.727 8.926 550 2HG GLN 85 1HG GLN 85 1.449 -9.659 8.263 551 1HE2 GLN 85 1HE2 GLN 85 4.486 -10.198 9.129 552 2HE2 GLN 85 2HE2 GLN 85 4.980 -11.282 7.878 553 H LEU 86 H LEU 86 3.553 -5.974 7.481 554 HA LEU 86 HA LEU 86 2.599 -3.626 5.969 555 1HB LEU 86 2HB LEU 86 2.633 -3.358 8.631 556 2HB LEU 86 1HB LEU 86 4.356 -3.101 8.369 557 HG LEU 86 HG LEU 86 3.408 -0.925 8.236 558 1HD1 LEU 86 1HD1 LEU 86 4.953 -1.582 6.328 559 2HD1 LEU 86 2HD1 LEU 86 3.867 -0.246 6.010 560 3HD1 LEU 86 3HD1 LEU 86 3.501 -1.814 5.336 561 1HD2 LEU 86 1HD2 LEU 86 1.335 -2.010 6.301 562 2HD2 LEU 86 2HD2 LEU 86 1.424 -0.392 6.995 563 3HD2 LEU 86 3HD2 LEU 86 1.045 -1.764 8.025 564 H ALA 87 H ALA 87 3.881 -3.849 4.218 565 HA ALA 87 HA ALA 87 6.687 -4.704 4.455 566 1HB ALA 87 1HB ALA 87 6.716 -4.571 2.062 567 2HB ALA 87 2HB ALA 87 5.323 -3.541 2.070 568 3HB ALA 87 3HB ALA 87 5.131 -5.216 2.505 569 H GLY 88 H GLY 88 4.849 -1.733 3.851 570 1HA GLY 88 2HA GLY 88 6.375 0.151 5.038 571 2HA GLY 88 1HA GLY 88 7.320 -0.134 3.575 572 H VAL 89 H VAL 89 5.511 2.172 4.577 573 HA VAL 89 HA VAL 89 3.426 2.253 2.505 574 HB VAL 89 HB VAL 89 4.338 4.188 4.591 575 1HG1 VAL 89 1HG1 VAL 89 3.706 5.686 2.920 576 2HG1 VAL 89 2HG1 VAL 89 2.220 5.469 3.823 577 3HG1 VAL 89 3HG1 VAL 89 2.455 4.605 2.305 578 1HG2 VAL 89 1HG2 VAL 89 1.773 2.704 4.120 579 2HG2 VAL 89 2HG2 VAL 89 2.033 3.791 5.447 580 3HG2 VAL 89 3HG2 VAL 89 2.947 2.286 5.344 581 H ILE 90 H ILE 90 4.353 2.358 0.491 582 HA ILE 90 HA ILE 90 6.578 4.248 -0.031 583 HB ILE 90 HB ILE 90 6.465 3.366 -2.295 584 1HG1 ILE 90 2HG1 ILE 90 3.793 2.514 -1.435 585 2HG1 ILE 90 1HG1 ILE 90 4.431 2.647 -3.047 586 1HG2 ILE 90 1HG2 ILE 90 6.358 1.198 -0.185 587 2HG2 ILE 90 2HG2 ILE 90 7.749 2.203 -0.561 588 3HG2 ILE 90 3HG2 ILE 90 7.156 1.073 -1.760 589 1HD1 ILE 90 1HD1 ILE 90 5.479 0.433 -2.844 590 2HD1 ILE 90 2HD1 ILE 90 3.747 0.364 -2.552 591 3HD1 ILE 90 3HD1 ILE 90 4.861 0.317 -1.197 592 H THR 91 H THR 91 6.317 5.943 -1.739 593 HA THR 91 HA THR 91 3.499 6.897 -1.875 594 HB THR 91 HB THR 91 5.002 8.229 -0.394 595 HG1 THR 91 1HG THR 91 3.357 9.429 -1.158 596 1HG2 THR 91 1HG2 THR 91 7.084 7.970 -1.586 597 2HG2 THR 91 2HG2 THR 91 6.682 9.673 -1.485 598 3HG2 THR 91 3HG2 THR 91 6.434 8.813 -2.994 599 H HIS 92 H HIS 92 2.987 8.246 -3.742 600 HA HIS 92 HA HIS 92 4.635 7.566 -6.124 601 1HB HIS 92 2HB HIS 92 1.852 7.206 -5.557 602 2HB HIS 92 1HB HIS 92 1.985 8.307 -6.939 603 HD1 HIS 92 1HD HIS 92 4.027 5.255 -5.926 604 HD2 HIS 92 2HD HIS 92 1.721 6.665 -9.100 605 HE1 HIS 92 1HE HIS 92 4.251 3.576 -7.797 606 HE2 HIS 92 2HE HIS 92 2.560 4.240 -9.548 607 H THR 93 H THR 93 5.806 9.583 -5.361 608 HA THR 93 HA THR 93 5.061 11.780 -7.024 609 HB THR 93 HB THR 93 4.884 12.902 -4.292 610 HG1 THR 93 1HG THR 93 3.029 11.944 -3.675 611 1HG2 THR 93 1HG2 THR 93 3.032 12.982 -6.689 612 2HG2 THR 93 2HG2 THR 93 4.339 14.122 -6.361 613 3HG2 THR 93 3HG2 THR 93 2.956 14.032 -5.274 614 H GLY 94 H GLY 94 6.906 12.985 -7.358 615 1HA GLY 94 2HA GLY 94 8.930 14.076 -6.691 616 2HA GLY 94 1HA GLY 94 8.982 13.111 -5.218 617 H ALA 95 H ALA 95 8.231 10.869 -7.499 618 HA ALA 95 HA ALA 95 11.113 10.360 -8.140 619 1HB ALA 95 1HB ALA 95 10.229 8.781 -6.474 620 2HB ALA 95 2HB ALA 95 10.585 7.969 -7.997 621 3HB ALA 95 3HB ALA 95 8.915 8.351 -7.566 622 H SER 96 H SER 96 11.545 9.572 -10.233 623 HA SER 96 HA SER 96 10.094 10.496 -12.392 624 1HB SER 96 2HB SER 96 11.622 7.863 -12.283 625 2HB SER 96 1HB SER 96 11.210 8.755 -13.755 626 HG SER 96 HG SER 96 13.102 9.352 -11.782 627 H GLY 97 H GLY 97 7.980 10.117 -12.959 628 1HA GLY 97 2HA GLY 97 5.971 8.963 -13.311 629 2HA GLY 97 1HA GLY 97 6.912 7.469 -13.317 630 H ASN 98 H ASN 98 6.536 9.906 -10.744 631 HA ASN 98 HA ASN 98 6.241 9.498 -8.460 632 1HB ASN 98 2HB ASN 98 3.655 8.235 -8.765 633 2HB ASN 98 1HB ASN 98 4.054 9.870 -8.347 634 1HD2 ASN 98 1HD2 ASN 98 3.639 7.789 -11.204 635 2HD2 ASN 98 2HD2 ASN 98 3.163 9.102 -12.218 636 H ASN 99 H ASN 99 7.813 7.374 -9.486 637 HA ASN 99 HA ASN 99 6.784 4.795 -9.041 638 1HB ASN 99 2HB ASN 99 9.278 5.842 -9.688 639 2HB ASN 99 1HB ASN 99 9.580 5.167 -8.085 640 1HD2 ASN 99 1HD2 ASN 99 10.872 3.935 -10.131 641 2HD2 ASN 99 2HD2 ASN 99 10.113 2.426 -10.493 642 H PHE 100 H PHE 100 7.458 3.376 -7.107 643 HA PHE 100 HA PHE 100 6.382 4.613 -4.702 644 1HB PHE 100 2HB PHE 100 7.746 1.966 -4.451 645 2HB PHE 100 1HB PHE 100 6.211 2.506 -3.870 646 HD1 PHE 100 1HD PHE 100 7.956 1.097 -6.721 647 HD2 PHE 100 2HD PHE 100 4.178 2.424 -5.175 648 HE1 PHE 100 1HE PHE 100 6.786 -0.077 -8.570 649 HE2 PHE 100 2HE PHE 100 3.009 1.258 -7.022 650 HZ PHE 100 HZ PHE 100 4.311 0.006 -8.719 651 H VAL 101 H VAL 101 7.529 4.955 -2.732 652 HA VAL 101 HA VAL 101 10.397 4.508 -2.568 653 HB VAL 101 HB VAL 101 10.523 7.193 -2.084 654 1HG1 VAL 101 1HG1 VAL 101 10.828 6.055 -4.872 655 2HG1 VAL 101 2HG1 VAL 101 11.954 5.678 -3.569 656 3HG1 VAL 101 3HG1 VAL 101 11.741 7.341 -4.100 657 1HG2 VAL 101 1HG2 VAL 101 8.059 7.186 -3.033 658 2HG2 VAL 101 2HG2 VAL 101 8.851 7.080 -4.587 659 3HG2 VAL 101 3HG2 VAL 101 9.185 8.437 -3.514 660 H GLU 102 H GLU 102 10.716 3.998 -0.465 661 HA GLU 102 HA GLU 102 8.881 3.996 1.554 662 1HB GLU 102 2HB GLU 102 10.816 4.135 3.171 663 2HB GLU 102 1HB GLU 102 11.048 2.962 1.868 664 1HG GLU 102 2HG GLU 102 12.653 4.184 0.808 665 2HG GLU 102 1HG GLU 102 12.060 5.740 1.367 666 H CYS 103 H CYS 103 7.875 5.517 2.821 667 HA CYS 103 HA CYS 103 8.601 8.364 2.365 668 1HB CYS 103 2HB CYS 103 6.154 6.878 3.097 669 2HB CYS 103 1HB CYS 103 6.396 8.318 4.095 670 H THR 104 H THR 104 9.902 9.382 3.802 671 HA THR 104 HA THR 104 10.444 8.099 6.420 672 HB THR 104 HB THR 104 12.118 10.022 6.614 673 HG1 THR 104 1HG THR 104 12.318 11.381 4.910 674 1HG2 THR 104 1HG2 THR 104 12.280 8.288 4.133 675 2HG2 THR 104 2HG2 THR 104 12.760 7.804 5.762 676 3HG2 THR 104 3HG2 THR 104 13.632 9.091 4.931 Start of MODEL 22 1 1H ALA 1 1HT ALA 1 0.521 12.220 16.181 2 2H ALA 1 2HT ALA 1 -0.320 12.021 17.659 3 3H ALA 1 3HT ALA 1 -1.137 11.771 16.166 4 HA ALA 1 HA ALA 1 1.108 10.156 17.249 5 1HB ALA 1 1HB ALA 1 -0.609 8.397 17.457 6 2HB ALA 1 2HB ALA 1 -1.841 9.539 16.909 7 3HB ALA 1 3HB ALA 1 -1.008 9.807 18.439 8 H CYS 2 H CYS 2 2.282 9.430 15.510 9 HA CYS 2 HA CYS 2 1.291 7.854 13.484 10 1HB CYS 2 2HB CYS 2 1.400 9.632 11.530 11 2HB CYS 2 1HB CYS 2 -0.068 9.487 12.488 12 H ASP 3 H ASP 3 3.001 7.013 12.306 13 HA ASP 3 HA ASP 3 5.616 8.471 12.547 14 1HB ASP 3 2HB ASP 3 5.515 6.319 13.796 15 2HB ASP 3 1HB ASP 3 5.120 5.479 12.291 16 H TYR 4 H TYR 4 3.263 7.087 10.393 17 HA TYR 4 HA TYR 4 5.175 7.145 8.127 18 1HB TYR 4 2HB TYR 4 2.399 6.034 8.579 19 2HB TYR 4 1HB TYR 4 2.936 6.364 6.925 20 HD1 TYR 4 1HD TYR 4 5.541 5.634 6.547 21 HD2 TYR 4 2HD TYR 4 2.734 3.838 9.251 22 HE1 TYR 4 1HE TYR 4 6.848 3.527 6.500 23 HE2 TYR 4 2HE TYR 4 4.036 1.726 9.207 24 HH TYR 4 HH TYR 4 6.983 1.368 7.198 25 H THR 5 H THR 5 5.467 9.161 7.306 26 HA THR 5 HA THR 5 3.029 10.701 6.553 27 HB THR 5 HB THR 5 4.438 12.799 7.399 28 HG1 THR 5 1HG THR 5 5.348 10.829 9.252 29 1HG2 THR 5 1HG2 THR 5 3.125 11.009 9.442 30 2HG2 THR 5 2HG2 THR 5 2.222 11.942 8.261 31 3HG2 THR 5 3HG2 THR 5 3.239 12.762 9.450 32 H CYS 6 H CYS 6 3.311 11.916 4.677 33 HA CYS 6 HA CYS 6 6.060 11.894 3.466 34 1HB CYS 6 2HB CYS 6 3.596 10.620 2.516 35 2HB CYS 6 1HB CYS 6 4.235 11.759 1.327 36 H GLY 7 H GLY 7 3.868 13.776 4.712 37 1HA GLY 7 2HA GLY 7 4.755 16.141 3.322 38 2HA GLY 7 1HA GLY 7 3.090 15.732 2.900 39 H SER 8 H SER 8 5.001 15.646 5.931 40 HA SER 8 HA SER 8 4.451 16.408 8.058 41 1HB SER 8 2HB SER 8 3.313 18.535 6.238 42 2HB SER 8 1HB SER 8 3.004 18.621 7.968 43 HG SER 8 HG SER 8 5.459 18.740 6.607 44 H ASN 9 H ASN 9 2.538 14.598 6.439 45 HA ASN 9 HA ASN 9 -0.105 15.260 7.443 46 1HB ASN 9 2HB ASN 9 1.023 13.440 5.546 47 2HB ASN 9 1HB ASN 9 0.159 12.447 6.700 48 1HD2 ASN 9 1HD2 ASN 9 -0.315 13.844 3.834 49 2HD2 ASN 9 2HD2 ASN 9 -1.984 14.264 3.980 50 H CYS 10 H CYS 10 -0.855 12.583 8.351 51 HA CYS 10 HA CYS 10 0.899 12.014 10.601 52 1HB CYS 10 2HB CYS 10 -0.505 13.946 11.396 53 2HB CYS 10 1HB CYS 10 -1.956 12.976 11.097 54 H TYR 11 H TYR 11 0.543 10.208 8.765 55 HA TYR 11 HA TYR 11 -1.878 8.586 9.263 56 1HB TYR 11 2HB TYR 11 0.503 8.384 7.419 57 2HB TYR 11 1HB TYR 11 -0.502 6.962 7.697 58 HD1 TYR 11 1HD TYR 11 -1.564 10.549 7.623 59 HD2 TYR 11 2HD TYR 11 -1.627 6.741 5.637 60 HE1 TYR 11 1HE TYR 11 -3.225 11.420 6.051 61 HE2 TYR 11 2HE TYR 11 -3.303 7.634 4.034 62 HH TYR 11 HH TYR 11 -3.864 10.347 3.241 63 H SER 12 H SER 12 -1.944 7.332 11.055 64 HA SER 12 HA SER 12 0.531 6.588 12.428 65 1HB SER 12 2HB SER 12 -1.371 7.175 13.801 66 2HB SER 12 1HB SER 12 -2.372 5.956 13.002 67 HG SER 12 HG SER 12 -0.237 5.594 14.809 68 H SER 13 H SER 13 1.524 4.625 12.410 69 HA SER 13 HA SER 13 1.204 2.814 10.311 70 1HB SER 13 2HB SER 13 2.384 1.156 11.777 71 2HB SER 13 1HB SER 13 3.151 2.748 11.793 72 HG SER 13 HG SER 13 2.375 3.127 13.792 73 H SER 14 H SER 14 -0.553 3.018 13.360 74 HA SER 14 HA SER 14 -1.867 0.464 13.132 75 1HB SER 14 2HB SER 14 -1.632 1.960 15.216 76 2HB SER 14 1HB SER 14 -2.988 2.892 14.571 77 HG SER 14 HG SER 14 -3.625 1.170 15.999 78 H ASP 15 H ASP 15 -2.725 3.787 12.152 79 HA ASP 15 HA ASP 15 -5.350 3.100 11.203 80 1HB ASP 15 2HB ASP 15 -3.980 5.468 11.535 81 2HB ASP 15 1HB ASP 15 -3.907 5.299 9.777 82 H VAL 16 H VAL 16 -2.124 2.902 9.887 83 HA VAL 16 HA VAL 16 -2.909 2.500 7.144 84 HB VAL 16 HB VAL 16 -0.411 1.319 8.406 85 1HG1 VAL 16 1HG1 VAL 16 -1.041 2.528 5.684 86 2HG1 VAL 16 2HG1 VAL 16 -0.872 0.808 6.041 87 3HG1 VAL 16 3HG1 VAL 16 0.516 1.884 6.199 88 1HG2 VAL 16 1HG2 VAL 16 -0.375 3.513 9.236 89 2HG2 VAL 16 2HG2 VAL 16 -1.059 4.213 7.797 90 3HG2 VAL 16 3HG2 VAL 16 0.597 3.607 7.801 91 H SER 17 H SER 17 -2.536 0.409 9.963 92 HA SER 17 HA SER 17 -2.548 -2.107 8.711 93 1HB SER 17 2HB SER 17 -2.619 -1.233 11.320 94 2HB SER 17 1HB SER 17 -4.225 -1.945 11.154 95 HG SER 17 HG SER 17 -1.696 -3.154 10.862 96 H THR 18 H THR 18 -5.332 -0.086 9.707 97 HA THR 18 HA THR 18 -7.345 -1.911 8.818 98 HB THR 18 HB THR 18 -8.611 0.468 8.495 99 HG1 THR 18 1HG THR 18 -7.559 2.084 9.524 100 1HG2 THR 18 1HG2 THR 18 -9.093 0.425 10.887 101 2HG2 THR 18 2HG2 THR 18 -7.719 -0.643 11.166 102 3HG2 THR 18 3HG2 THR 18 -9.101 -1.210 10.225 103 H ALA 19 H ALA 19 -6.025 0.979 7.175 104 HA ALA 19 HA ALA 19 -7.324 0.326 4.658 105 1HB ALA 19 1HB ALA 19 -5.173 1.968 4.050 106 2HB ALA 19 2HB ALA 19 -5.609 2.427 5.708 107 3HB ALA 19 3HB ALA 19 -6.811 2.499 4.426 108 H GLN 20 H GLN 20 -4.747 -1.128 6.247 109 HA GLN 20 HA GLN 20 -3.368 -1.840 3.769 110 1HB GLN 20 2HB GLN 20 -1.963 -1.102 5.684 111 2HB GLN 20 1HB GLN 20 -2.612 -2.429 6.655 112 1HG GLN 20 2HG GLN 20 -0.411 -2.967 5.723 113 2HG GLN 20 1HG GLN 20 -1.634 -4.048 5.071 114 1HE2 GLN 20 1HE2 GLN 20 -2.526 -3.365 2.839 115 2HE2 GLN 20 2HE2 GLN 20 -1.511 -2.429 1.825 116 H ALA 21 H ALA 21 -5.698 -2.966 5.995 117 HA ALA 21 HA ALA 21 -5.279 -5.804 5.335 118 1HB ALA 21 1HB ALA 21 -5.844 -5.222 7.652 119 2HB ALA 21 2HB ALA 21 -7.121 -6.194 6.925 120 3HB ALA 21 3HB ALA 21 -7.329 -4.450 7.099 121 H ALA 22 H ALA 22 -7.009 -3.063 4.233 122 HA ALA 22 HA ALA 22 -9.305 -4.485 3.148 123 1HB ALA 22 1HB ALA 22 -8.158 -1.755 2.472 124 2HB ALA 22 2HB ALA 22 -9.410 -2.083 3.669 125 3HB ALA 22 3HB ALA 22 -9.735 -2.362 1.958 126 H GLY 23 H GLY 23 -6.266 -3.138 1.783 127 1HA GLY 23 2HA GLY 23 -6.723 -4.019 -0.886 128 2HA GLY 23 1HA GLY 23 -5.133 -3.718 -0.190 129 H TYR 24 H TYR 24 -5.738 -5.694 2.003 130 HA TYR 24 HA TYR 24 -4.756 -8.049 0.569 131 1HB TYR 24 2HB TYR 24 -3.717 -7.641 2.689 132 2HB TYR 24 1HB TYR 24 -5.278 -7.382 3.466 133 HD1 TYR 24 1HD TYR 24 -5.967 -9.096 4.858 134 HD2 TYR 24 2HD TYR 24 -3.675 -10.046 1.353 135 HE1 TYR 24 1HE TYR 24 -6.051 -11.493 5.461 136 HE2 TYR 24 2HE TYR 24 -3.773 -12.454 1.943 137 HH TYR 24 HH TYR 24 -5.880 -13.788 4.001 138 H GLN 25 H GLN 25 -7.720 -7.020 2.226 139 HA GLN 25 HA GLN 25 -9.006 -9.571 2.198 140 1HB GLN 25 2HB GLN 25 -9.658 -7.073 3.165 141 2HB GLN 25 1HB GLN 25 -10.744 -7.179 1.779 142 1HG GLN 25 2HG GLN 25 -10.856 -9.714 3.099 143 2HG GLN 25 1HG GLN 25 -10.917 -8.466 4.351 144 1HE2 GLN 25 1HE2 GLN 25 -13.042 -10.293 2.982 145 2HE2 GLN 25 2HE2 GLN 25 -14.297 -9.165 2.618 146 H LEU 26 H LEU 26 -9.163 -6.828 -0.081 147 HA LEU 26 HA LEU 26 -10.831 -8.152 -1.999 148 1HB LEU 26 2HB LEU 26 -9.186 -5.698 -1.849 149 2HB LEU 26 1HB LEU 26 -9.141 -6.443 -3.440 150 HG LEU 26 HG LEU 26 -11.441 -6.252 -3.801 151 1HD1 LEU 26 1HD1 LEU 26 -12.905 -5.417 -1.805 152 2HD1 LEU 26 2HD1 LEU 26 -11.597 -6.018 -0.792 153 3HD1 LEU 26 3HD1 LEU 26 -12.464 -7.113 -1.872 154 1HD2 LEU 26 1HD2 LEU 26 -10.284 -4.074 -3.871 155 2HD2 LEU 26 2HD2 LEU 26 -10.631 -3.831 -2.158 156 3HD2 LEU 26 3HD2 LEU 26 -11.951 -3.894 -3.328 157 H HIS 27 H HIS 27 -7.319 -8.041 -1.586 158 HA HIS 27 HA HIS 27 -6.668 -9.466 -3.973 159 1HB HIS 27 2HB HIS 27 -4.824 -8.452 -2.908 160 2HB HIS 27 1HB HIS 27 -5.285 -9.066 -1.313 161 HD1 HIS 27 1HD HIS 27 -4.806 -11.011 -4.559 162 HD2 HIS 27 2HD HIS 27 -3.234 -10.798 -0.700 163 HE1 HIS 27 1HE HIS 27 -3.162 -12.917 -4.351 164 HE2 HIS 27 2HE HIS 27 -2.446 -12.957 -1.926 165 H GLU 28 H GLU 28 -8.079 -10.534 -0.970 166 HA GLU 28 HA GLU 28 -7.373 -13.347 -1.480 167 1HB GLU 28 2HB GLU 28 -7.507 -12.182 0.844 168 2HB GLU 28 1HB GLU 28 -9.255 -12.353 0.676 169 1HG GLU 28 2HG GLU 28 -9.056 -14.435 1.454 170 2HG GLU 28 1HG GLU 28 -8.257 -14.878 -0.060 171 H ASP 29 H ASP 29 -10.136 -11.154 -1.770 172 HA ASP 29 HA ASP 29 -11.905 -13.435 -2.482 173 1HB ASP 29 2HB ASP 29 -12.268 -10.585 -1.696 174 2HB ASP 29 1HB ASP 29 -13.415 -11.179 -2.901 175 H GLY 30 H GLY 30 -9.536 -11.988 -4.114 176 1HA GLY 30 2HA GLY 30 -9.151 -11.443 -6.340 177 2HA GLY 30 1HA GLY 30 -10.289 -12.753 -6.657 178 H GLU 31 H GLU 31 -11.359 -9.943 -4.854 179 HA GLU 31 HA GLU 31 -13.276 -9.362 -7.013 180 1HB GLU 31 2HB GLU 31 -13.733 -9.461 -4.429 181 2HB GLU 31 1HB GLU 31 -13.076 -7.832 -4.397 182 1HG GLU 31 2HG GLU 31 -15.164 -7.167 -4.928 183 2HG GLU 31 1HG GLU 31 -14.803 -7.710 -6.571 184 H THR 32 H THR 32 -13.165 -6.420 -5.826 185 HA THR 32 HA THR 32 -10.655 -5.360 -6.599 186 HB THR 32 HB THR 32 -12.325 -4.262 -8.682 187 HG1 THR 32 1HG THR 32 -13.069 -6.041 -9.702 188 1HG2 THR 32 1HG2 THR 32 -10.502 -4.611 -9.876 189 2HG2 THR 32 2HG2 THR 32 -10.320 -6.282 -9.432 190 3HG2 THR 32 3HG2 THR 32 -9.711 -5.023 -8.367 191 H VAL 33 H VAL 33 -10.890 -2.893 -6.914 192 HA VAL 33 HA VAL 33 -12.696 -1.938 -4.788 193 HB VAL 33 HB VAL 33 -11.533 0.212 -5.117 194 1HG1 VAL 33 1HG1 VAL 33 -9.614 -2.113 -5.132 195 2HG1 VAL 33 2HG1 VAL 33 -10.521 -1.569 -3.723 196 3HG1 VAL 33 3HG1 VAL 33 -9.319 -0.514 -4.455 197 1HG2 VAL 33 1HG2 VAL 33 -9.447 -0.279 -6.841 198 2HG2 VAL 33 2HG2 VAL 33 -10.885 0.645 -7.228 199 3HG2 VAL 33 3HG2 VAL 33 -10.796 -1.040 -7.672 200 H GLY 34 H GLY 34 -12.805 0.769 -6.404 201 1HA GLY 34 2HA GLY 34 -15.429 0.712 -7.192 202 2HA GLY 34 1HA GLY 34 -14.234 1.790 -7.912 203 H SER 35 H SER 35 -12.601 0.088 -9.258 204 HA SER 35 HA SER 35 -13.807 -1.990 -10.754 205 1HB SER 35 2HB SER 35 -14.859 0.567 -11.490 206 2HB SER 35 1HB SER 35 -13.771 0.088 -12.782 207 HG SER 35 HG SER 35 -15.833 -0.766 -13.127 208 H ASN 36 H ASN 36 -11.567 0.742 -10.735 209 HA ASN 36 HA ASN 36 -9.836 -0.261 -12.800 210 1HB ASN 36 2HB ASN 36 -9.399 1.662 -10.486 211 2HB ASN 36 1HB ASN 36 -8.182 1.354 -11.732 212 1HD2 ASN 36 1HD2 ASN 36 -10.669 3.439 -10.955 213 2HD2 ASN 36 2HD2 ASN 36 -11.020 3.997 -12.552 214 H SER 37 H SER 37 -10.453 -1.427 -9.653 215 HA SER 37 HA SER 37 -9.434 -3.091 -8.442 216 1HB SER 37 2HB SER 37 -7.223 -3.482 -10.410 217 2HB SER 37 1HB SER 37 -8.237 -4.697 -9.667 218 HG SER 37 HG SER 37 -9.968 -3.707 -11.133 219 H TYR 38 H TYR 38 -6.838 -3.690 -7.859 220 HA TYR 38 HA TYR 38 -4.915 -1.724 -7.920 221 1HB TYR 38 2HB TYR 38 -7.138 -0.713 -6.409 222 2HB TYR 38 1HB TYR 38 -5.841 -1.028 -5.278 223 HD1 TYR 38 1HD TYR 38 -6.994 1.212 -7.823 224 HD2 TYR 38 2HD TYR 38 -3.486 -0.255 -5.834 225 HE1 TYR 38 1HE TYR 38 -5.739 3.178 -8.606 226 HE2 TYR 38 2HE TYR 38 -2.245 1.702 -6.607 227 HH TYR 38 HH TYR 38 -3.150 4.317 -7.343 228 HA PRO 39 HA PRO 39 -4.133 -4.265 -3.945 229 1HB PRO 39 2HB PRO 39 -5.985 -6.183 -3.319 230 2HB PRO 39 1HB PRO 39 -5.976 -4.557 -2.685 231 1HG PRO 39 2HG PRO 39 -7.740 -5.753 -4.764 232 2HG PRO 39 1HG PRO 39 -8.098 -4.431 -3.639 233 1HD PRO 39 2HD PRO 39 -7.442 -4.197 -6.340 234 2HD PRO 39 1HD PRO 39 -7.438 -2.861 -5.190 235 H HIS 40 H HIS 40 -2.498 -5.208 -5.148 236 HA HIS 40 HA HIS 40 -2.969 -8.041 -5.923 237 1HB HIS 40 2HB HIS 40 -1.149 -6.890 -7.871 238 2HB HIS 40 1HB HIS 40 -2.681 -7.731 -8.132 239 HD1 HIS 40 1HD HIS 40 -4.809 -6.323 -8.370 240 HD2 HIS 40 2HD HIS 40 -1.332 -4.055 -7.969 241 HE1 HIS 40 1HE HIS 40 -5.376 -3.997 -9.118 242 HE2 HIS 40 2HE HIS 40 -3.252 -2.669 -9.056 243 H LYS 41 H LYS 41 -0.531 -8.803 -6.757 244 HA LYS 41 HA LYS 41 1.114 -8.312 -4.364 245 1HB LYS 41 2HB LYS 41 0.878 -10.609 -4.783 246 2HB LYS 41 1HB LYS 41 1.099 -10.404 -6.492 247 1HG LYS 41 2HG LYS 41 3.458 -9.443 -5.082 248 2HG LYS 41 1HG LYS 41 3.027 -11.045 -4.523 249 1HD LYS 41 2HD LYS 41 2.797 -10.822 -7.446 250 2HD LYS 41 1HD LYS 41 4.408 -10.418 -6.853 251 1HE LYS 41 2HE LYS 41 3.083 -12.851 -5.701 252 2HE LYS 41 1HE LYS 41 3.704 -12.926 -7.353 253 1HZ LYS 41 1HZ LYS 41 5.861 -12.190 -6.574 254 2HZ LYS 41 2HZ LYS 41 5.383 -13.582 -5.743 255 3HZ LYS 41 3HZ LYS 41 5.286 -12.076 -4.982 256 H TYR 42 H TYR 42 2.818 -6.931 -4.440 257 HA TYR 42 HA TYR 42 3.888 -6.139 -7.095 258 1HB TYR 42 2HB TYR 42 3.174 -4.184 -5.977 259 2HB TYR 42 1HB TYR 42 3.745 -4.760 -4.403 260 HD1 TYR 42 1HD TYR 42 5.624 -3.678 -3.604 261 HD2 TYR 42 2HD TYR 42 5.187 -4.239 -7.839 262 HE1 TYR 42 1HE TYR 42 7.789 -2.529 -3.976 263 HE2 TYR 42 2HE TYR 42 7.338 -3.082 -8.209 264 HH TYR 42 HH TYR 42 9.278 -2.314 -7.196 265 H ASN 43 H ASN 43 6.138 -6.383 -7.460 266 HA ASN 43 HA ASN 43 7.463 -8.337 -5.732 267 1HB ASN 43 2HB ASN 43 8.289 -6.848 -8.248 268 2HB ASN 43 1HB ASN 43 9.392 -7.945 -7.396 269 1HD2 ASN 43 1HD2 ASN 43 7.593 -8.010 -10.031 270 2HD2 ASN 43 2HD2 ASN 43 6.997 -9.630 -9.956 271 H ASN 44 H ASN 44 9.661 -5.950 -6.908 272 HA ASN 44 HA ASN 44 9.832 -3.914 -5.171 273 1HB ASN 44 2HB ASN 44 11.296 -4.899 -3.258 274 2HB ASN 44 1HB ASN 44 9.556 -5.127 -3.156 275 1HD2 ASN 44 1HD2 ASN 44 9.664 -7.142 -2.024 276 2HD2 ASN 44 2HD2 ASN 44 10.297 -8.564 -2.756 277 H TYR 45 H TYR 45 11.202 -3.163 -6.822 278 HA TYR 45 HA TYR 45 13.931 -4.427 -6.876 279 1HB TYR 45 2HB TYR 45 13.928 -3.398 -9.317 280 2HB TYR 45 1HB TYR 45 13.156 -4.957 -9.008 281 HD1 TYR 45 1HD TYR 45 10.709 -5.150 -8.777 282 HD2 TYR 45 2HD TYR 45 12.606 -1.453 -9.860 283 HE1 TYR 45 1HE TYR 45 8.531 -4.267 -9.568 284 HE2 TYR 45 2HE TYR 45 10.428 -0.564 -10.650 285 HH TYR 45 HH TYR 45 8.004 -2.088 -11.525 286 H GLU 46 H GLU 46 12.013 -1.480 -6.870 287 HA GLU 46 HA GLU 46 13.746 0.504 -7.489 288 1HB GLU 46 2HB GLU 46 11.385 0.312 -6.058 289 2HB GLU 46 1HB GLU 46 12.474 0.951 -4.834 290 1HG GLU 46 2HG GLU 46 12.445 2.135 -7.603 291 2HG GLU 46 1HG GLU 46 11.207 2.557 -6.417 292 H GLY 47 H GLY 47 13.538 -0.698 -4.113 293 1HA GLY 47 2HA GLY 47 16.028 -1.439 -3.459 294 2HA GLY 47 1HA GLY 47 16.290 0.301 -3.610 295 H PHE 48 H PHE 48 13.814 -1.848 -2.142 296 HA PHE 48 HA PHE 48 13.638 0.076 0.137 297 1HB PHE 48 2HB PHE 48 11.907 -2.340 -0.524 298 2HB PHE 48 1HB PHE 48 11.615 -1.138 0.729 299 HD1 PHE 48 1HD PHE 48 11.504 -1.840 -2.853 300 HD2 PHE 48 2HD PHE 48 10.988 1.179 0.160 301 HE1 PHE 48 1HE PHE 48 10.316 -0.406 -4.487 302 HE2 PHE 48 2HE PHE 48 9.798 2.569 -1.481 303 HZ PHE 48 HZ PHE 48 9.482 1.813 -3.800 304 H ASP 49 H ASP 49 13.799 -0.743 2.327 305 HA ASP 49 HA ASP 49 15.248 -3.354 2.507 306 1HB ASP 49 2HB ASP 49 16.347 -0.852 3.033 307 2HB ASP 49 1HB ASP 49 15.855 -1.373 4.641 308 H PHE 50 H PHE 50 12.511 -3.254 2.726 309 HA PHE 50 HA PHE 50 11.526 -2.823 5.380 310 1HB PHE 50 2HB PHE 50 10.569 -4.875 3.367 311 2HB PHE 50 1HB PHE 50 9.608 -4.190 4.684 312 HD1 PHE 50 1HD PHE 50 9.082 -4.123 1.615 313 HD2 PHE 50 2HD PHE 50 10.754 -1.307 4.352 314 HE1 PHE 50 1HE PHE 50 8.348 -2.302 0.135 315 HE2 PHE 50 2HE PHE 50 10.045 0.532 2.881 316 HZ PHE 50 HZ PHE 50 8.830 0.043 0.774 317 H SER 51 H SER 51 10.374 -5.155 6.253 318 HA SER 51 HA SER 51 12.508 -7.188 6.514 319 1HB SER 51 2HB SER 51 12.542 -5.232 8.359 320 2HB SER 51 1HB SER 51 11.275 -6.229 9.083 321 HG SER 51 HG SER 51 13.971 -6.869 8.557 322 H VAL 52 H VAL 52 9.727 -6.994 5.368 323 HA VAL 52 HA VAL 52 8.262 -8.844 7.205 324 HB VAL 52 HB VAL 52 7.350 -7.327 4.744 325 1HG1 VAL 52 1HG1 VAL 52 6.245 -9.665 6.063 326 2HG1 VAL 52 2HG1 VAL 52 5.654 -8.764 4.686 327 3HG1 VAL 52 3HG1 VAL 52 5.194 -8.288 6.314 328 1HG2 VAL 52 1HG2 VAL 52 5.847 -6.365 6.669 329 2HG2 VAL 52 2HG2 VAL 52 7.456 -5.715 6.372 330 3HG2 VAL 52 3HG2 VAL 52 7.186 -6.851 7.693 331 H SER 53 H SER 53 8.183 -8.679 3.624 332 HA SER 53 HA SER 53 9.522 -11.272 3.392 333 1HB SER 53 2HB SER 53 7.558 -12.439 2.459 334 2HB SER 53 1HB SER 53 7.222 -11.903 4.101 335 HG SER 53 HG SER 53 6.110 -10.135 3.268 336 H SER 54 H SER 54 9.185 -12.046 0.992 337 HA SER 54 HA SER 54 9.999 -9.797 -0.706 338 1HB SER 54 2HB SER 54 9.501 -12.518 -1.874 339 2HB SER 54 1HB SER 54 10.814 -11.381 -2.132 340 HG SER 54 HG SER 54 11.792 -12.035 -0.309 341 HA PRO 55 HA PRO 55 6.039 -11.094 -3.100 342 1HB PRO 55 2HB PRO 55 4.214 -12.641 -1.756 343 2HB PRO 55 1HB PRO 55 5.504 -13.277 -2.772 344 1HG PRO 55 2HG PRO 55 5.329 -13.217 0.214 345 2HG PRO 55 1HG PRO 55 6.164 -14.376 -0.835 346 1HD PRO 55 2HD PRO 55 7.328 -12.276 0.571 347 2HD PRO 55 1HD PRO 55 8.114 -13.196 -0.698 348 H TYR 56 H TYR 56 5.926 -8.838 -2.535 349 HA TYR 56 HA TYR 56 4.193 -8.048 -0.303 350 1HB TYR 56 2HB TYR 56 5.787 -6.601 -2.415 351 2HB TYR 56 1HB TYR 56 4.655 -5.723 -1.441 352 HD1 TYR 56 1HD TYR 56 4.891 -7.008 1.197 353 HD2 TYR 56 2HD TYR 56 7.896 -5.953 -1.675 354 HE1 TYR 56 1HE TYR 56 6.542 -6.869 3.001 355 HE2 TYR 56 2HE TYR 56 9.574 -5.811 0.145 356 HH TYR 56 HH TYR 56 9.587 -7.075 2.768 357 H TYR 57 H TYR 57 2.685 -6.049 -1.078 358 HA TYR 57 HA TYR 57 1.210 -6.651 -3.521 359 1HB TYR 57 2HB TYR 57 0.034 -6.882 -0.763 360 2HB TYR 57 1HB TYR 57 -0.985 -6.724 -2.205 361 HD1 TYR 57 1HD TYR 57 1.650 -8.824 -0.593 362 HD2 TYR 57 2HD TYR 57 -1.540 -8.654 -3.455 363 HE1 TYR 57 1HE TYR 57 1.820 -11.267 -0.932 364 HE2 TYR 57 2HE TYR 57 -1.335 -11.072 -3.824 365 HH TYR 57 HH TYR 57 -0.179 -13.149 -1.875 366 H GLU 58 H GLU 58 0.679 -4.708 -4.438 367 HA GLU 58 HA GLU 58 1.049 -2.300 -2.766 368 1HB GLU 58 2HB GLU 58 1.021 -1.053 -4.798 369 2HB GLU 58 1HB GLU 58 1.937 -2.531 -5.132 370 1HG GLU 58 2HG GLU 58 -0.226 -3.542 -6.011 371 2HG GLU 58 1HG GLU 58 -0.928 -1.918 -5.901 372 H TRP 59 H TRP 59 -0.533 -0.934 -2.134 373 HA TRP 59 HA TRP 59 -3.219 -1.015 -3.242 374 1HB TRP 59 2HB TRP 59 -3.590 -2.860 -1.785 375 2HB TRP 59 1HB TRP 59 -2.632 -2.134 -0.489 376 HD1 TRP 59 HD TRP 59 -3.762 -0.386 1.051 377 HE1 TRP 59 1HE TRP 59 -6.198 0.342 1.415 378 HE3 TRP 59 3HE TRP 59 -5.930 -2.511 -3.060 379 HZ2 TRP 59 2HZ TRP 59 -8.738 0.034 0.103 380 HZ3 TRP 59 3HZ TRP 59 -8.350 -2.301 -3.433 381 HH2 TRP 59 HH TRP 59 -9.770 -1.013 -1.881 382 HA PRO 60 HA PRO 60 -2.604 3.177 -1.887 383 1HB PRO 60 2HB PRO 60 -5.191 4.060 -2.180 384 2HB PRO 60 1HB PRO 60 -4.062 3.823 -3.511 385 1HG PRO 60 2HG PRO 60 -6.299 2.048 -2.633 386 2HG PRO 60 1HG PRO 60 -5.720 2.346 -4.272 387 1HD PRO 60 2HD PRO 60 -5.159 0.112 -2.799 388 2HD PRO 60 1HD PRO 60 -4.168 0.678 -4.086 389 H ILE 61 H ILE 61 -3.062 4.573 -0.119 390 HA ILE 61 HA ILE 61 -4.657 3.321 2.094 391 HB ILE 61 HB ILE 61 -2.463 2.910 2.788 392 1HG1 ILE 61 2HG1 ILE 61 -2.009 4.425 4.619 393 2HG1 ILE 61 1HG1 ILE 61 -2.947 5.707 3.871 394 1HG2 ILE 61 1HG2 ILE 61 -1.328 4.103 0.952 395 2HG2 ILE 61 2HG2 ILE 61 -0.609 4.523 2.495 396 3HG2 ILE 61 3HG2 ILE 61 -1.722 5.634 1.713 397 1HD1 ILE 61 1HD1 ILE 61 -4.463 4.859 5.376 398 2HD1 ILE 61 2HD1 ILE 61 -3.832 3.239 5.223 399 3HD1 ILE 61 3HD1 ILE 61 -4.886 3.884 4.002 400 H LEU 62 H LEU 62 -6.151 4.728 2.937 401 HA LEU 62 HA LEU 62 -5.699 7.666 2.517 402 1HB LEU 62 2HB LEU 62 -8.499 6.700 2.828 403 2HB LEU 62 1HB LEU 62 -7.825 7.949 1.771 404 HG LEU 62 HG LEU 62 -7.722 4.948 1.321 405 1HD1 LEU 62 1HD1 LEU 62 -9.853 6.074 0.772 406 2HD1 LEU 62 2HD1 LEU 62 -9.020 5.497 -0.674 407 3HD1 LEU 62 3HD1 LEU 62 -8.982 7.210 -0.258 408 1HD2 LEU 62 1HD2 LEU 62 -6.805 6.343 -0.939 409 2HD2 LEU 62 2HD2 LEU 62 -5.868 5.319 0.100 410 3HD2 LEU 62 3HD2 LEU 62 -5.927 7.064 0.389 411 H SER 63 H SER 63 -6.973 8.974 4.182 412 HA SER 63 HA SER 63 -7.117 7.489 6.790 413 1HB SER 63 2HB SER 63 -6.093 9.364 7.904 414 2HB SER 63 1HB SER 63 -5.049 8.909 6.572 415 HG SER 63 HG SER 63 -5.584 11.238 6.808 416 H SER 64 H SER 64 -9.432 7.530 5.773 417 HA SER 64 HA SER 64 -10.919 9.566 7.267 418 1HB SER 64 2HB SER 64 -10.265 10.103 4.548 419 2HB SER 64 1HB SER 64 -11.980 9.698 4.560 420 HG SER 64 HG SER 64 -11.443 11.950 4.994 421 H GLY 65 H GLY 65 -10.654 6.553 6.940 422 1HA GLY 65 2HA GLY 65 -12.055 4.694 6.840 423 2HA GLY 65 1HA GLY 65 -13.286 5.796 7.459 424 H ASP 66 H ASP 66 -11.590 5.802 4.313 425 HA ASP 66 HA ASP 66 -14.278 5.499 3.002 426 1HB ASP 66 2HB ASP 66 -13.570 7.757 2.626 427 2HB ASP 66 1HB ASP 66 -11.915 7.250 2.266 428 H VAL 67 H VAL 67 -10.869 4.574 3.038 429 HA VAL 67 HA VAL 67 -9.780 2.852 1.967 430 HB VAL 67 HB VAL 67 -12.471 1.797 1.035 431 1HG1 VAL 67 1HG1 VAL 67 -10.786 0.379 0.306 432 2HG1 VAL 67 2HG1 VAL 67 -11.195 -0.344 1.847 433 3HG1 VAL 67 3HG1 VAL 67 -9.763 0.673 1.715 434 1HG2 VAL 67 1HG2 VAL 67 -12.985 2.301 3.283 435 2HG2 VAL 67 2HG2 VAL 67 -11.360 1.922 3.843 436 3HG2 VAL 67 3HG2 VAL 67 -12.452 0.633 3.342 437 H TYR 68 H TYR 68 -9.661 1.802 -0.396 438 HA TYR 68 HA TYR 68 -10.035 4.043 -2.286 439 1HB TYR 68 2HB TYR 68 -7.816 2.980 -2.071 440 2HB TYR 68 1HB TYR 68 -8.488 1.445 -2.634 441 HD1 TYR 68 1HD TYR 68 -7.147 4.632 -3.613 442 HD2 TYR 68 2HD TYR 68 -9.610 1.395 -4.939 443 HE1 TYR 68 1HE TYR 68 -6.851 5.359 -5.964 444 HE2 TYR 68 2HE TYR 68 -9.331 2.111 -7.279 445 HH TYR 68 HH TYR 68 -8.534 4.876 -8.282 446 H SER 69 H SER 69 -12.059 3.977 -3.156 447 HA SER 69 HA SER 69 -12.801 1.592 -4.728 448 1HB SER 69 2HB SER 69 -15.062 2.614 -3.113 449 2HB SER 69 1HB SER 69 -14.613 0.950 -3.515 450 HG SER 69 HG SER 69 -13.233 0.899 -1.825 451 H GLY 70 H GLY 70 -12.116 4.581 -5.040 452 1HA GLY 70 2HA GLY 70 -14.587 5.350 -6.567 453 2HA GLY 70 1HA GLY 70 -13.516 6.499 -5.772 454 H GLY 71 H GLY 71 -11.505 7.001 -6.740 455 1HA GLY 71 2HA GLY 71 -10.265 5.672 -8.883 456 2HA GLY 71 1HA GLY 71 -11.437 6.753 -9.624 457 H SER 72 H SER 72 -9.116 7.010 -6.891 458 HA SER 72 HA SER 72 -7.931 9.402 -8.245 459 1HB SER 72 2HB SER 72 -7.923 10.351 -5.729 460 2HB SER 72 1HB SER 72 -9.289 10.595 -6.813 461 HG SER 72 HG SER 72 -9.818 9.728 -4.685 462 HA PRO 73 HA PRO 73 -4.883 6.458 -6.256 463 1HB PRO 73 2HB PRO 73 -3.750 5.604 -8.604 464 2HB PRO 73 1HB PRO 73 -5.133 4.856 -7.809 465 1HG PRO 73 2HG PRO 73 -5.073 6.540 -10.263 466 2HG PRO 73 1HG PRO 73 -6.199 5.241 -9.834 467 1HD PRO 73 2HD PRO 73 -6.701 8.022 -9.592 468 2HD PRO 73 1HD PRO 73 -7.630 6.694 -8.895 469 H GLY 74 H GLY 74 -2.496 6.689 -6.338 470 1HA GLY 74 2HA GLY 74 -0.675 7.960 -7.635 471 2HA GLY 74 1HA GLY 74 -1.686 9.383 -7.416 472 H ALA 75 H ALA 75 1.064 8.378 -6.324 473 HA ALA 75 HA ALA 75 2.291 8.917 -4.435 474 1HB ALA 75 1HB ALA 75 1.554 10.616 -3.072 475 2HB ALA 75 2HB ALA 75 -0.125 10.082 -3.089 476 3HB ALA 75 3HB ALA 75 0.569 10.872 -4.502 477 H ASP 76 H ASP 76 1.171 9.016 -1.702 478 HA ASP 76 HA ASP 76 1.641 7.019 -0.273 479 1HB ASP 76 2HB ASP 76 -1.187 8.078 -0.505 480 2HB ASP 76 1HB ASP 76 -0.720 6.952 0.765 481 H ARG 77 H ARG 77 1.726 4.862 -0.272 482 HA ARG 77 HA ARG 77 -0.479 3.211 -1.238 483 1HB ARG 77 2HB ARG 77 0.663 3.713 -3.390 484 2HB ARG 77 1HB ARG 77 2.173 3.187 -2.717 485 1HG ARG 77 2HG ARG 77 1.668 1.186 -3.613 486 2HG ARG 77 1HG ARG 77 0.699 0.961 -2.169 487 1HD ARG 77 2HD ARG 77 -0.596 0.430 -4.149 488 2HD ARG 77 1HD ARG 77 -1.273 1.832 -3.339 489 HE ARG 77 HE ARG 77 0.742 2.225 -5.064 490 1HH1 ARG 77 1HH2 ARG 77 -1.294 3.752 -3.429 491 2HH1 ARG 77 2HH2 ARG 77 -1.995 4.829 -4.558 492 1HH2 ARG 77 1HH1 ARG 77 -0.876 3.166 -7.374 493 2HH2 ARG 77 2HH1 ARG 77 -1.689 4.564 -6.762 494 H VAL 78 H VAL 78 -0.163 2.604 1.067 495 HA VAL 78 HA VAL 78 2.280 1.547 2.049 496 HB VAL 78 HB VAL 78 0.313 2.222 3.477 497 1HG1 VAL 78 1HG1 VAL 78 -1.474 1.181 2.244 498 2HG1 VAL 78 2HG1 VAL 78 -1.421 0.438 3.832 499 3HG1 VAL 78 3HG1 VAL 78 -0.795 -0.404 2.438 500 1HG2 VAL 78 1HG2 VAL 78 1.826 -0.345 3.787 501 2HG2 VAL 78 2HG2 VAL 78 0.535 -0.044 4.891 502 3HG2 VAL 78 3HG2 VAL 78 1.851 1.093 4.759 503 H VAL 79 H VAL 79 3.040 -0.610 2.152 504 HA VAL 79 HA VAL 79 1.665 -2.502 0.264 505 HB VAL 79 HB VAL 79 4.586 -2.177 0.999 506 1HG1 VAL 79 1HG1 VAL 79 4.973 -4.021 -0.568 507 2HG1 VAL 79 2HG1 VAL 79 3.248 -4.257 -0.742 508 3HG1 VAL 79 3HG1 VAL 79 4.040 -4.603 0.777 509 1HG2 VAL 79 1HG2 VAL 79 4.841 -1.729 -1.381 510 2HG2 VAL 79 2HG2 VAL 79 3.681 -0.599 -0.647 511 3HG2 VAL 79 3HG2 VAL 79 3.106 -1.938 -1.634 512 H PHE 80 H PHE 80 2.005 -4.798 0.796 513 HA PHE 80 HA PHE 80 2.535 -5.407 3.617 514 1HB PHE 80 2HB PHE 80 0.231 -6.401 3.864 515 2HB PHE 80 1HB PHE 80 0.255 -4.666 3.707 516 HD1 PHE 80 1HD PHE 80 -1.241 -7.593 2.519 517 HD2 PHE 80 2HD PHE 80 0.077 -3.725 1.202 518 HE1 PHE 80 1HE PHE 80 -2.744 -7.730 0.556 519 HE2 PHE 80 2HE PHE 80 -1.404 -3.868 -0.750 520 HZ PHE 80 HZ PHE 80 -2.835 -5.865 -1.078 521 H ASN 81 H ASN 81 1.643 -7.928 3.800 522 HA ASN 81 HA ASN 81 2.851 -9.280 1.401 523 1HB ASN 81 2HB ASN 81 3.268 -11.141 3.284 524 2HB ASN 81 1HB ASN 81 4.356 -9.786 3.036 525 1HD2 ASN 81 1HD2 ASN 81 3.781 -7.740 4.377 526 2HD2 ASN 81 2HD2 ASN 81 3.198 -8.044 5.963 527 H GLU 82 H GLU 82 1.163 -10.727 4.158 528 HA GLU 82 HA GLU 82 -1.227 -11.240 2.528 529 1HB GLU 82 2HB GLU 82 0.684 -13.421 3.439 530 2HB GLU 82 1HB GLU 82 -0.987 -13.742 2.940 531 1HG GLU 82 2HG GLU 82 -0.408 -12.487 0.769 532 2HG GLU 82 1HG GLU 82 1.284 -12.653 1.277 533 H ASN 83 H ASN 83 -0.089 -10.254 5.361 534 HA ASN 83 HA ASN 83 -2.428 -11.385 6.814 535 1HB ASN 83 2HB ASN 83 -0.223 -12.483 7.503 536 2HB ASN 83 1HB ASN 83 0.275 -10.923 8.112 537 1HD2 ASN 83 1HD2 ASN 83 0.254 -12.352 10.200 538 2HD2 ASN 83 2HD2 ASN 83 -1.245 -12.370 11.058 539 H ASN 84 H ASN 84 -1.183 -8.708 5.492 540 HA ASN 84 HA ASN 84 -1.680 -6.485 5.802 541 1HB ASN 84 2HB ASN 84 -3.068 -7.109 8.423 542 2HB ASN 84 1HB ASN 84 -3.436 -5.875 7.220 543 1HD2 ASN 84 1HD2 ASN 84 -4.485 -8.832 8.336 544 2HD2 ASN 84 2HD2 ASN 84 -5.340 -9.330 6.923 545 H GLN 85 H GLN 85 0.442 -8.233 7.447 546 HA GLN 85 HA GLN 85 1.064 -6.918 9.835 547 1HB GLN 85 2HB GLN 85 3.161 -7.821 7.824 548 2HB GLN 85 1HB GLN 85 3.328 -7.709 9.568 549 1HG GLN 85 2HG GLN 85 1.062 -9.371 8.866 550 2HG GLN 85 1HG GLN 85 2.522 -9.922 8.041 551 1HE2 GLN 85 1HE2 GLN 85 4.070 -10.983 9.311 552 2HE2 GLN 85 2HE2 GLN 85 3.914 -11.166 11.021 553 H LEU 86 H LEU 86 3.334 -6.205 7.205 554 HA LEU 86 HA LEU 86 2.555 -3.690 6.490 555 1HB LEU 86 2HB LEU 86 3.082 -3.550 9.235 556 2HB LEU 86 1HB LEU 86 4.601 -3.051 8.549 557 HG LEU 86 HG LEU 86 3.162 -1.109 8.883 558 1HD1 LEU 86 1HD1 LEU 86 4.730 -1.349 6.857 559 2HD1 LEU 86 2HD1 LEU 86 3.456 -0.140 6.744 560 3HD1 LEU 86 3HD1 LEU 86 3.271 -1.679 5.915 561 1HD2 LEU 86 1HD2 LEU 86 1.252 -2.491 6.962 562 2HD2 LEU 86 2HD2 LEU 86 1.081 -0.882 7.627 563 3HD2 LEU 86 3HD2 LEU 86 0.994 -2.272 8.689 564 H ALA 87 H ALA 87 3.672 -3.794 4.631 565 HA ALA 87 HA ALA 87 6.458 -4.766 4.581 566 1HB ALA 87 1HB ALA 87 4.793 -3.527 2.427 567 2HB ALA 87 2HB ALA 87 4.849 -5.234 2.722 568 3HB ALA 87 3HB ALA 87 6.293 -4.358 2.157 569 H GLY 88 H GLY 88 4.670 -1.737 4.490 570 1HA GLY 88 2HA GLY 88 6.352 0.036 5.558 571 2HA GLY 88 1HA GLY 88 7.130 -0.157 3.986 572 H VAL 89 H VAL 89 6.562 2.208 3.824 573 HA VAL 89 HA VAL 89 3.826 2.472 2.638 574 HB VAL 89 HB VAL 89 5.185 4.485 4.450 575 1HG1 VAL 89 1HG1 VAL 89 3.918 5.614 2.706 576 2HG1 VAL 89 2HG1 VAL 89 2.995 5.691 4.198 577 3HG1 VAL 89 3HG1 VAL 89 2.546 4.531 2.949 578 1HG2 VAL 89 1HG2 VAL 89 3.192 4.009 5.905 579 2HG2 VAL 89 2HG2 VAL 89 4.214 2.597 5.700 580 3HG2 VAL 89 3HG2 VAL 89 2.740 2.753 4.806 581 H ILE 90 H ILE 90 4.459 2.573 0.515 582 HA ILE 90 HA ILE 90 6.676 4.453 -0.192 583 HB ILE 90 HB ILE 90 6.742 3.300 -2.321 584 1HG1 ILE 90 2HG1 ILE 90 4.148 2.244 -1.349 585 2HG1 ILE 90 1HG1 ILE 90 4.651 2.501 -2.968 586 1HG2 ILE 90 1HG2 ILE 90 7.565 1.156 -1.523 587 2HG2 ILE 90 2HG2 ILE 90 6.637 1.326 -0.029 588 3HG2 ILE 90 3HG2 ILE 90 7.975 2.409 -0.364 589 1HD1 ILE 90 1HD1 ILE 90 5.410 0.185 -1.216 590 2HD1 ILE 90 2HD1 ILE 90 6.020 0.430 -2.845 591 3HD1 ILE 90 3HD1 ILE 90 4.306 0.157 -2.589 592 H THR 91 H THR 91 6.298 6.003 -1.915 593 HA THR 91 HA THR 91 3.388 6.572 -2.366 594 HB THR 91 HB THR 91 4.451 8.213 -0.832 595 HG1 THR 91 1HG THR 91 3.991 9.371 -3.402 596 1HG2 THR 91 1HG2 THR 91 6.224 9.654 -1.666 597 2HG2 THR 91 2HG2 THR 91 6.285 8.789 -3.180 598 3HG2 THR 91 3HG2 THR 91 6.763 7.988 -1.694 599 H HIS 92 H HIS 92 2.798 6.920 -4.463 600 HA HIS 92 HA HIS 92 4.733 6.454 -6.561 601 1HB HIS 92 2HB HIS 92 1.797 6.590 -6.319 602 2HB HIS 92 1HB HIS 92 2.379 7.191 -7.855 603 HD1 HIS 92 1HD HIS 92 4.712 5.265 -8.299 604 HD2 HIS 92 2HD HIS 92 1.015 4.070 -6.961 605 HE1 HIS 92 1HE HIS 92 4.542 2.831 -8.883 606 HE2 HIS 92 2HE HIS 92 2.390 2.040 -7.815 607 H THR 93 H THR 93 6.040 8.403 -5.951 608 HA THR 93 HA THR 93 5.519 10.571 -7.768 609 HB THR 93 HB THR 93 3.831 11.027 -5.854 610 HG1 THR 93 1HG THR 93 4.159 13.160 -6.134 611 1HG2 THR 93 1HG2 THR 93 5.744 10.390 -4.156 612 2HG2 THR 93 2HG2 THR 93 4.573 11.632 -3.763 613 3HG2 THR 93 3HG2 THR 93 6.175 12.083 -4.338 614 H GLY 94 H GLY 94 7.266 12.205 -7.658 615 1HA GLY 94 2HA GLY 94 9.402 12.978 -6.974 616 2HA GLY 94 1HA GLY 94 9.488 11.694 -5.769 617 H ALA 95 H ALA 95 8.572 9.896 -8.247 618 HA ALA 95 HA ALA 95 11.270 9.715 -9.509 619 1HB ALA 95 1HB ALA 95 9.672 7.616 -8.090 620 2HB ALA 95 2HB ALA 95 11.392 7.938 -8.043 621 3HB ALA 95 3HB ALA 95 10.712 7.146 -9.452 622 H SER 96 H SER 96 10.912 10.117 -11.667 623 HA SER 96 HA SER 96 9.767 10.206 -13.708 624 1HB SER 96 2HB SER 96 9.331 8.076 -14.590 625 2HB SER 96 1HB SER 96 10.408 7.669 -13.250 626 HG SER 96 HG SER 96 8.546 7.238 -11.989 627 H GLY 97 H GLY 97 7.313 8.941 -14.463 628 1HA GLY 97 2HA GLY 97 5.362 10.757 -13.846 629 2HA GLY 97 1HA GLY 97 4.986 9.056 -14.134 630 H ASN 98 H ASN 98 6.151 7.859 -11.893 631 HA ASN 98 HA ASN 98 5.225 9.272 -9.487 632 1HB ASN 98 2HB ASN 98 3.907 6.719 -9.370 633 2HB ASN 98 1HB ASN 98 3.211 8.311 -9.315 634 1HD2 ASN 98 1HD2 ASN 98 3.503 5.488 -11.222 635 2HD2 ASN 98 2HD2 ASN 98 2.739 6.140 -12.628 636 H ASN 99 H ASN 99 5.592 5.771 -10.228 637 HA ASN 99 HA ASN 99 7.076 4.228 -9.351 638 1HB ASN 99 2HB ASN 99 8.659 6.714 -9.588 639 2HB ASN 99 1HB ASN 99 9.329 5.538 -8.472 640 1HD2 ASN 99 1HD2 ASN 99 7.685 5.383 -11.675 641 2HD2 ASN 99 2HD2 ASN 99 8.906 4.379 -12.367 642 H PHE 100 H PHE 100 7.091 3.296 -7.339 643 HA PHE 100 HA PHE 100 6.260 4.996 -5.071 644 1HB PHE 100 2HB PHE 100 6.332 2.519 -4.008 645 2HB PHE 100 1HB PHE 100 4.917 3.182 -4.823 646 HD1 PHE 100 1HD PHE 100 8.208 1.598 -5.753 647 HD2 PHE 100 2HD PHE 100 3.955 1.688 -6.292 648 HE1 PHE 100 1HE PHE 100 8.386 -0.230 -7.394 649 HE2 PHE 100 2HE PHE 100 4.129 -0.164 -7.933 650 HZ PHE 100 HZ PHE 100 6.342 -1.118 -8.485 651 H VAL 101 H VAL 101 7.495 5.326 -3.241 652 HA VAL 101 HA VAL 101 10.033 3.881 -2.897 653 HB VAL 101 HB VAL 101 11.244 6.139 -2.662 654 1HG1 VAL 101 1HG1 VAL 101 11.268 4.408 -4.626 655 2HG1 VAL 101 2HG1 VAL 101 11.971 5.996 -4.864 656 3HG1 VAL 101 3HG1 VAL 101 10.365 5.633 -5.498 657 1HG2 VAL 101 1HG2 VAL 101 10.292 7.989 -3.891 658 2HG2 VAL 101 2HG2 VAL 101 9.113 7.476 -2.691 659 3HG2 VAL 101 3HG2 VAL 101 8.901 7.027 -4.384 660 H GLU 102 H GLU 102 10.803 4.037 -0.728 661 HA GLU 102 HA GLU 102 8.981 4.191 1.333 662 1HB GLU 102 2HB GLU 102 11.027 4.975 2.776 663 2HB GLU 102 1HB GLU 102 11.089 3.404 1.974 664 1HG GLU 102 2HG GLU 102 12.644 4.035 0.436 665 2HG GLU 102 1HG GLU 102 12.088 5.717 0.370 666 H CYS 103 H CYS 103 8.076 5.812 2.613 667 HA CYS 103 HA CYS 103 7.697 8.349 1.491 668 1HB CYS 103 2HB CYS 103 7.061 7.033 4.050 669 2HB CYS 103 1HB CYS 103 7.366 8.759 4.276 670 H THR 104 H THR 104 8.651 10.403 1.846 671 HA THR 104 HA THR 104 11.339 10.283 3.180 672 HB THR 104 HB THR 104 11.795 12.322 1.677 673 HG1 THR 104 1HG THR 104 9.792 12.910 0.991 674 1HG2 THR 104 1HG2 THR 104 12.246 10.931 -0.284 675 2HG2 THR 104 2HG2 THR 104 11.193 9.667 0.348 676 3HG2 THR 104 3HG2 THR 104 12.686 10.079 1.196 Start of MODEL 23 1 1H ALA 1 1HT ALA 1 -1.235 12.780 15.415 2 2H ALA 1 2HT ALA 1 0.158 13.635 14.882 3 3H ALA 1 3HT ALA 1 -0.166 13.490 16.557 4 HA ALA 1 HA ALA 1 1.591 12.013 15.909 5 1HB ALA 1 1HB ALA 1 -1.019 10.604 16.542 6 2HB ALA 1 2HB ALA 1 0.068 11.346 17.714 7 3HB ALA 1 3HB ALA 1 0.597 9.937 16.797 8 H CYS 2 H CYS 2 2.377 10.464 14.452 9 HA CYS 2 HA CYS 2 0.822 8.946 12.688 10 1HB CYS 2 2HB CYS 2 1.168 10.154 10.578 11 2HB CYS 2 1HB CYS 2 0.164 11.098 11.654 12 H ASP 3 H ASP 3 2.328 7.295 12.755 13 HA ASP 3 HA ASP 3 5.154 7.791 12.770 14 1HB ASP 3 2HB ASP 3 3.768 5.655 13.519 15 2HB ASP 3 1HB ASP 3 4.008 5.145 11.845 16 H TYR 4 H TYR 4 2.974 6.494 10.235 17 HA TYR 4 HA TYR 4 5.119 6.908 8.211 18 1HB TYR 4 2HB TYR 4 2.369 5.610 8.134 19 2HB TYR 4 1HB TYR 4 3.349 5.885 6.685 20 HD1 TYR 4 1HD TYR 4 2.814 3.746 9.507 21 HD2 TYR 4 2HD TYR 4 5.723 4.959 6.612 22 HE1 TYR 4 1HE TYR 4 4.133 1.691 9.975 23 HE2 TYR 4 2HE TYR 4 7.039 2.911 7.070 24 HH TYR 4 HH TYR 4 6.945 1.163 9.592 25 H THR 5 H THR 5 5.246 9.055 7.618 26 HA THR 5 HA THR 5 2.702 10.304 6.691 27 HB THR 5 HB THR 5 3.149 11.333 8.825 28 HG1 THR 5 1HG THR 5 4.272 13.184 6.994 29 1HG2 THR 5 1HG2 THR 5 5.952 11.848 7.825 30 2HG2 THR 5 2HG2 THR 5 5.514 10.643 9.033 31 3HG2 THR 5 3HG2 THR 5 5.291 12.349 9.367 32 H CYS 6 H CYS 6 2.875 11.087 4.658 33 HA CYS 6 HA CYS 6 5.570 11.215 3.483 34 1HB CYS 6 2HB CYS 6 3.434 10.023 2.470 35 2HB CYS 6 1HB CYS 6 3.057 11.618 1.850 36 H GLY 7 H GLY 7 5.105 13.088 1.433 37 1HA GLY 7 2HA GLY 7 5.756 15.501 2.639 38 2HA GLY 7 1HA GLY 7 5.108 15.353 1.008 39 H SER 8 H SER 8 4.346 16.142 4.318 40 HA SER 8 HA SER 8 2.527 17.318 5.173 41 1HB SER 8 2HB SER 8 1.066 17.554 2.583 42 2HB SER 8 1HB SER 8 1.530 18.796 3.751 43 HG SER 8 HG SER 8 2.652 18.861 1.687 44 H ASN 9 H ASN 9 2.386 14.679 5.544 45 HA ASN 9 HA ASN 9 -0.514 14.162 5.406 46 1HB ASN 9 2HB ASN 9 1.257 11.974 4.309 47 2HB ASN 9 1HB ASN 9 -0.463 12.252 4.067 48 1HD2 ASN 9 1HD2 ASN 9 -1.048 14.137 2.673 49 2HD2 ASN 9 2HD2 ASN 9 0.072 14.611 1.447 50 H CYS 10 H CYS 10 -0.329 14.238 7.702 51 HA CYS 10 HA CYS 10 1.549 12.561 9.091 52 1HB CYS 10 2HB CYS 10 0.003 14.719 9.804 53 2HB CYS 10 1HB CYS 10 -0.896 13.424 10.582 54 H TYR 11 H TYR 11 1.018 10.480 8.001 55 HA TYR 11 HA TYR 11 -1.633 9.334 8.720 56 1HB TYR 11 2HB TYR 11 0.456 8.763 6.678 57 2HB TYR 11 1HB TYR 11 -0.337 7.332 7.352 58 HD1 TYR 11 1HD TYR 11 -1.069 10.729 5.964 59 HD2 TYR 11 2HD TYR 11 -2.415 6.690 6.517 60 HE1 TYR 11 1HE TYR 11 -3.042 11.194 4.533 61 HE2 TYR 11 2HE TYR 11 -4.392 7.171 5.094 62 HH TYR 11 HH TYR 11 -4.707 9.331 2.998 63 H SER 12 H SER 12 -1.839 8.037 10.468 64 HA SER 12 HA SER 12 0.599 7.274 11.936 65 1HB SER 12 2HB SER 12 -1.400 8.262 13.091 66 2HB SER 12 1HB SER 12 -2.285 6.780 12.713 67 HG SER 12 HG SER 12 -1.303 6.695 14.790 68 H SER 13 H SER 13 1.466 5.280 11.928 69 HA SER 13 HA SER 13 0.818 3.293 10.103 70 1HB SER 13 2HB SER 13 2.794 3.434 11.792 71 2HB SER 13 1HB SER 13 1.742 2.522 12.876 72 HG SER 13 HG SER 13 2.894 1.038 11.700 73 H SER 14 H SER 14 -0.794 4.070 13.117 74 HA SER 14 HA SER 14 -2.241 1.612 13.394 75 1HB SER 14 2HB SER 14 -1.977 3.276 15.225 76 2HB SER 14 1HB SER 14 -3.003 4.407 14.333 77 HG SER 14 HG SER 14 -4.168 3.151 15.898 78 H ASP 15 H ASP 15 -3.082 4.763 11.923 79 HA ASP 15 HA ASP 15 -5.681 3.871 11.020 80 1HB ASP 15 2HB ASP 15 -4.112 6.305 10.913 81 2HB ASP 15 1HB ASP 15 -4.670 5.940 9.279 82 H VAL 16 H VAL 16 -2.422 3.590 9.834 83 HA VAL 16 HA VAL 16 -3.091 2.978 7.104 84 HB VAL 16 HB VAL 16 -0.655 2.004 8.633 85 1HG1 VAL 16 1HG1 VAL 16 -1.166 2.664 5.706 86 2HG1 VAL 16 2HG1 VAL 16 -0.974 1.045 6.383 87 3HG1 VAL 16 3HG1 VAL 16 0.384 2.164 6.387 88 1HG2 VAL 16 1HG2 VAL 16 -0.749 4.345 9.024 89 2HG2 VAL 16 2HG2 VAL 16 -1.259 4.708 7.399 90 3HG2 VAL 16 3HG2 VAL 16 0.380 4.144 7.721 91 H SER 17 H SER 17 -2.747 1.054 10.067 92 HA SER 17 HA SER 17 -2.772 -1.531 8.933 93 1HB SER 17 2HB SER 17 -2.548 -0.756 11.421 94 2HB SER 17 1HB SER 17 -4.308 -0.917 11.468 95 HG SER 17 HG SER 17 -4.124 -3.065 11.063 96 H THR 18 H THR 18 -5.538 0.531 9.898 97 HA THR 18 HA THR 18 -7.591 -1.297 9.195 98 HB THR 18 HB THR 18 -8.738 1.131 8.569 99 HG1 THR 18 1HG THR 18 -7.642 2.740 9.562 100 1HG2 THR 18 1HG2 THR 18 -9.437 -0.399 10.365 101 2HG2 THR 18 2HG2 THR 18 -9.360 1.271 10.924 102 3HG2 THR 18 3HG2 THR 18 -8.077 0.142 11.354 103 H ALA 19 H ALA 19 -6.176 1.324 7.228 104 HA ALA 19 HA ALA 19 -7.543 0.531 4.813 105 1HB ALA 19 1HB ALA 19 -5.889 2.025 3.695 106 2HB ALA 19 2HB ALA 19 -5.011 2.125 5.225 107 3HB ALA 19 3HB ALA 19 -6.639 2.788 5.101 108 H GLN 20 H GLN 20 -4.906 -0.835 6.521 109 HA GLN 20 HA GLN 20 -3.639 -1.957 4.198 110 1HB GLN 20 2HB GLN 20 -2.754 -1.490 6.777 111 2HB GLN 20 1HB GLN 20 -3.030 -3.219 6.828 112 1HG GLN 20 2HG GLN 20 -1.106 -1.649 5.146 113 2HG GLN 20 1HG GLN 20 -0.842 -3.114 6.102 114 1HE2 GLN 20 1HE2 GLN 20 -1.979 -1.930 3.004 115 2HE2 GLN 20 2HE2 GLN 20 -2.243 -3.454 2.313 116 H ALA 21 H ALA 21 -6.084 -2.841 6.506 117 HA ALA 21 HA ALA 21 -6.079 -5.683 5.767 118 1HB ALA 21 1HB ALA 21 -8.080 -5.795 7.205 119 2HB ALA 21 2HB ALA 21 -8.071 -4.035 7.355 120 3HB ALA 21 3HB ALA 21 -6.746 -4.984 8.024 121 H ALA 22 H ALA 22 -7.343 -2.751 4.500 122 HA ALA 22 HA ALA 22 -9.741 -3.848 3.287 123 1HB ALA 22 1HB ALA 22 -9.830 -1.723 2.104 124 2HB ALA 22 2HB ALA 22 -8.168 -1.349 2.569 125 3HB ALA 22 3HB ALA 22 -9.433 -1.435 3.795 126 H GLY 23 H GLY 23 -6.571 -2.795 1.926 127 1HA GLY 23 2HA GLY 23 -7.058 -3.942 -0.677 128 2HA GLY 23 1HA GLY 23 -5.490 -3.503 -0.022 129 H TYR 24 H TYR 24 -5.822 -5.197 2.356 130 HA TYR 24 HA TYR 24 -4.671 -7.596 1.245 131 1HB TYR 24 2HB TYR 24 -3.814 -7.073 3.370 132 2HB TYR 24 1HB TYR 24 -5.403 -6.622 3.994 133 HD1 TYR 24 1HD TYR 24 -3.704 -9.632 2.526 134 HD2 TYR 24 2HD TYR 24 -6.395 -8.076 5.489 135 HE1 TYR 24 1HE TYR 24 -3.974 -11.909 3.476 136 HE2 TYR 24 2HE TYR 24 -6.668 -10.349 6.440 137 HH TYR 24 HH TYR 24 -6.252 -12.970 5.146 138 H GLN 25 H GLN 25 -7.845 -6.798 2.623 139 HA GLN 25 HA GLN 25 -8.818 -9.501 2.543 140 1HB GLN 25 2HB GLN 25 -9.870 -6.920 3.257 141 2HB GLN 25 1HB GLN 25 -10.970 -7.614 2.091 142 1HG GLN 25 2HG GLN 25 -11.826 -8.537 3.986 143 2HG GLN 25 1HG GLN 25 -10.689 -9.815 3.541 144 1HE2 GLN 25 1HE2 GLN 25 -10.422 -10.433 5.798 145 2HE2 GLN 25 2HE2 GLN 25 -9.523 -9.427 6.878 146 H LEU 26 H LEU 26 -9.283 -6.771 0.271 147 HA LEU 26 HA LEU 26 -10.748 -8.153 -1.693 148 1HB LEU 26 2HB LEU 26 -9.050 -5.736 -1.597 149 2HB LEU 26 1HB LEU 26 -9.019 -6.551 -3.147 150 HG LEU 26 HG LEU 26 -10.844 -4.798 -2.840 151 1HD1 LEU 26 1HD1 LEU 26 -11.600 -7.623 -3.615 152 2HD1 LEU 26 2HD1 LEU 26 -10.816 -6.450 -4.649 153 3HD1 LEU 26 3HD1 LEU 26 -12.461 -6.166 -4.095 154 1HD2 LEU 26 1HD2 LEU 26 -12.691 -5.270 -1.527 155 2HD2 LEU 26 2HD2 LEU 26 -11.384 -5.841 -0.501 156 3HD2 LEU 26 3HD2 LEU 26 -12.348 -6.992 -1.433 157 H HIS 27 H HIS 27 -7.235 -8.003 -1.274 158 HA HIS 27 HA HIS 27 -6.462 -9.426 -3.562 159 1HB HIS 27 2HB HIS 27 -4.761 -8.477 -2.149 160 2HB HIS 27 1HB HIS 27 -5.292 -9.440 -0.764 161 HD1 HIS 27 1HD HIS 27 -4.873 -10.858 -4.240 162 HD2 HIS 27 2HD HIS 27 -2.962 -10.986 -0.532 163 HE1 HIS 27 1HE HIS 27 -3.129 -12.674 -4.398 164 HE2 HIS 27 2HE HIS 27 -2.247 -12.968 -2.053 165 H GLU 28 H GLU 28 -7.187 -10.817 -0.338 166 HA GLU 28 HA GLU 28 -7.157 -13.539 -1.468 167 1HB GLU 28 2HB GLU 28 -7.588 -12.333 1.269 168 2HB GLU 28 1HB GLU 28 -8.058 -14.013 0.975 169 1HG GLU 28 2HG GLU 28 -5.471 -13.724 -0.172 170 2HG GLU 28 1HG GLU 28 -5.430 -12.905 1.395 171 H ASP 29 H ASP 29 -9.406 -11.094 -1.560 172 HA ASP 29 HA ASP 29 -11.746 -12.838 -1.173 173 1HB ASP 29 2HB ASP 29 -11.258 -9.920 -1.370 174 2HB ASP 29 1HB ASP 29 -12.771 -10.462 -2.058 175 H GLY 30 H GLY 30 -9.580 -12.280 -3.644 176 1HA GLY 30 2HA GLY 30 -9.689 -12.543 -5.954 177 2HA GLY 30 1HA GLY 30 -11.003 -13.667 -5.603 178 H GLU 31 H GLU 31 -10.984 -10.180 -4.903 179 HA GLU 31 HA GLU 31 -13.072 -9.825 -7.007 180 1HB GLU 31 2HB GLU 31 -13.643 -9.871 -4.308 181 2HB GLU 31 1HB GLU 31 -13.326 -8.169 -4.529 182 1HG GLU 31 2HG GLU 31 -15.668 -8.581 -4.891 183 2HG GLU 31 1HG GLU 31 -14.938 -8.138 -6.437 184 H THR 32 H THR 32 -13.373 -6.990 -6.249 185 HA THR 32 HA THR 32 -10.735 -5.805 -6.544 186 HB THR 32 HB THR 32 -11.805 -4.658 -8.777 187 HG1 THR 32 1HG THR 32 -13.067 -6.066 -9.857 188 1HG2 THR 32 1HG2 THR 32 -9.616 -6.077 -8.347 189 2HG2 THR 32 2HG2 THR 32 -10.283 -5.883 -9.982 190 3HG2 THR 32 3HG2 THR 32 -10.563 -7.345 -9.101 191 H VAL 33 H VAL 33 -11.288 -3.288 -7.247 192 HA VAL 33 HA VAL 33 -13.664 -2.477 -5.597 193 HB VAL 33 HB VAL 33 -12.341 -0.711 -4.588 194 1HG1 VAL 33 1HG1 VAL 33 -10.856 -2.060 -3.229 195 2HG1 VAL 33 2HG1 VAL 33 -10.795 -3.322 -4.446 196 3HG1 VAL 33 3HG1 VAL 33 -12.293 -3.006 -3.569 197 1HG2 VAL 33 1HG2 VAL 33 -10.836 -0.184 -6.427 198 2HG2 VAL 33 2HG2 VAL 33 -10.095 -1.781 -6.332 199 3HG2 VAL 33 3HG2 VAL 33 -9.876 -0.627 -5.025 200 H GLY 34 H GLY 34 -14.426 -0.283 -6.108 201 1HA GLY 34 2HA GLY 34 -15.178 1.259 -7.699 202 2HA GLY 34 1HA GLY 34 -13.490 1.336 -8.210 203 H SER 35 H SER 35 -12.805 -0.014 -9.930 204 HA SER 35 HA SER 35 -14.453 -1.982 -11.207 205 1HB SER 35 2HB SER 35 -14.843 -0.437 -13.335 206 2HB SER 35 1HB SER 35 -15.956 -0.357 -11.972 207 HG SER 35 HG SER 35 -15.241 1.585 -11.480 208 H ASN 36 H ASN 36 -11.590 -1.210 -10.536 209 HA ASN 36 HA ASN 36 -10.431 -2.132 -13.091 210 1HB ASN 36 2HB ASN 36 -10.096 0.577 -11.898 211 2HB ASN 36 1HB ASN 36 -8.581 -0.213 -12.337 212 1HD2 ASN 36 1HD2 ASN 36 -8.714 1.748 -13.915 213 2HD2 ASN 36 2HD2 ASN 36 -9.459 1.402 -15.435 214 H SER 37 H SER 37 -10.822 -2.840 -10.022 215 HA SER 37 HA SER 37 -9.618 -4.096 -8.522 216 1HB SER 37 2HB SER 37 -8.051 -5.612 -9.426 217 2HB SER 37 1HB SER 37 -8.844 -5.095 -10.923 218 HG SER 37 HG SER 37 -7.104 -3.971 -11.436 219 H TYR 38 H TYR 38 -6.982 -4.288 -7.873 220 HA TYR 38 HA TYR 38 -5.364 -2.102 -8.084 221 1HB TYR 38 2HB TYR 38 -7.691 -1.211 -6.736 222 2HB TYR 38 1HB TYR 38 -6.484 -1.409 -5.480 223 HD1 TYR 38 1HD TYR 38 -6.088 -0.478 -9.093 224 HD2 TYR 38 2HD TYR 38 -5.686 0.675 -5.022 225 HE1 TYR 38 1HE TYR 38 -4.929 1.570 -9.812 226 HE2 TYR 38 2HE TYR 38 -4.485 2.766 -5.717 227 HH TYR 38 HH TYR 38 -3.133 3.228 -8.592 228 HA PRO 39 HA PRO 39 -4.189 -4.322 -4.054 229 1HB PRO 39 2HB PRO 39 -5.795 -6.380 -3.238 230 2HB PRO 39 1HB PRO 39 -5.968 -4.711 -2.707 231 1HG PRO 39 2HG PRO 39 -7.663 -6.240 -4.637 232 2HG PRO 39 1HG PRO 39 -8.085 -4.862 -3.600 233 1HD PRO 39 2HD PRO 39 -7.547 -4.780 -6.336 234 2HD PRO 39 1HD PRO 39 -7.695 -3.379 -5.276 235 H HIS 40 H HIS 40 -2.508 -5.190 -5.295 236 HA HIS 40 HA HIS 40 -2.824 -8.079 -5.994 237 1HB HIS 40 2HB HIS 40 -1.049 -6.871 -7.941 238 2HB HIS 40 1HB HIS 40 -2.551 -7.762 -8.204 239 HD1 HIS 40 1HD HIS 40 -4.731 -6.424 -8.410 240 HD2 HIS 40 2HD HIS 40 -1.332 -4.060 -8.104 241 HE1 HIS 40 1HE HIS 40 -5.366 -4.129 -9.176 242 HE2 HIS 40 2HE HIS 40 -3.297 -2.736 -9.166 243 H LYS 41 H LYS 41 -0.364 -8.764 -6.777 244 HA LYS 41 HA LYS 41 1.167 -8.371 -4.346 245 1HB LYS 41 2HB LYS 41 2.531 -10.115 -5.064 246 2HB LYS 41 1HB LYS 41 0.990 -10.505 -5.817 247 1HG LYS 41 2HG LYS 41 2.128 -10.646 -7.714 248 2HG LYS 41 1HG LYS 41 2.075 -8.902 -7.751 249 1HD LYS 41 2HD LYS 41 4.263 -9.530 -6.058 250 2HD LYS 41 1HD LYS 41 4.320 -10.732 -7.355 251 1HE LYS 41 2HE LYS 41 4.367 -7.739 -7.612 252 2HE LYS 41 1HE LYS 41 5.606 -8.889 -8.115 253 1HZ LYS 41 1HZ LYS 41 4.542 -8.457 -10.074 254 2HZ LYS 41 2HZ LYS 41 3.030 -8.234 -9.375 255 3HZ LYS 41 3HZ LYS 41 3.647 -9.802 -9.582 256 H TYR 42 H TYR 42 3.080 -7.199 -4.107 257 HA TYR 42 HA TYR 42 3.637 -5.262 -6.261 258 1HB TYR 42 2HB TYR 42 3.143 -4.400 -3.956 259 2HB TYR 42 1HB TYR 42 4.572 -5.241 -3.372 260 HD1 TYR 42 1HD TYR 42 6.062 -3.533 -2.770 261 HD2 TYR 42 2HD TYR 42 4.080 -3.396 -6.583 262 HE1 TYR 42 1HE TYR 42 7.476 -1.612 -3.443 263 HE2 TYR 42 2HE TYR 42 5.498 -1.499 -7.256 264 HH TYR 42 HH TYR 42 7.984 -0.637 -6.459 265 H ASN 43 H ASN 43 5.520 -5.439 -7.422 266 HA ASN 43 HA ASN 43 7.422 -7.575 -6.611 267 1HB ASN 43 2HB ASN 43 6.457 -7.187 -9.027 268 2HB ASN 43 1HB ASN 43 7.670 -5.919 -9.130 269 1HD2 ASN 43 1HD2 ASN 43 9.957 -6.583 -8.764 270 2HD2 ASN 43 2HD2 ASN 43 10.401 -8.210 -9.133 271 H ASN 44 H ASN 44 7.093 -4.270 -6.113 272 HA ASN 44 HA ASN 44 8.617 -2.547 -5.712 273 1HB ASN 44 2HB ASN 44 10.513 -3.465 -4.132 274 2HB ASN 44 1HB ASN 44 8.843 -3.493 -3.578 275 1HD2 ASN 44 1HD2 ASN 44 7.692 -5.552 -3.618 276 2HD2 ASN 44 2HD2 ASN 44 8.584 -7.027 -3.730 277 H TYR 45 H TYR 45 9.452 -1.985 -7.719 278 HA TYR 45 HA TYR 45 11.732 -3.540 -8.783 279 1HB TYR 45 2HB TYR 45 10.390 -0.990 -9.767 280 2HB TYR 45 1HB TYR 45 11.626 -1.903 -10.648 281 HD1 TYR 45 1HD TYR 45 11.157 -4.468 -10.959 282 HD2 TYR 45 2HD TYR 45 8.146 -1.512 -10.157 283 HE1 TYR 45 1HE TYR 45 9.427 -5.979 -11.893 284 HE2 TYR 45 2HE TYR 45 6.414 -3.020 -11.090 285 HH TYR 45 HH TYR 45 6.795 -5.319 -13.027 286 H GLU 46 H GLU 46 11.127 -0.363 -7.298 287 HA GLU 46 HA GLU 46 13.441 0.996 -7.655 288 1HB GLU 46 2HB GLU 46 11.365 1.089 -5.824 289 2HB GLU 46 1HB GLU 46 12.738 0.772 -4.774 290 1HG GLU 46 2HG GLU 46 13.199 2.830 -6.880 291 2HG GLU 46 1HG GLU 46 11.979 3.224 -5.668 292 H GLY 47 H GLY 47 13.074 -1.704 -5.335 293 1HA GLY 47 2HA GLY 47 14.886 -3.325 -5.097 294 2HA GLY 47 1HA GLY 47 16.059 -2.053 -5.422 295 H PHE 48 H PHE 48 13.382 -2.698 -3.117 296 HA PHE 48 HA PHE 48 14.965 -1.293 -1.009 297 1HB PHE 48 2HB PHE 48 12.085 -2.311 -1.055 298 2HB PHE 48 1HB PHE 48 12.891 -1.509 0.295 299 HD1 PHE 48 1HD PHE 48 14.206 0.724 -0.350 300 HD2 PHE 48 2HD PHE 48 10.791 -0.893 -2.398 301 HE1 PHE 48 1HE PHE 48 13.678 2.974 -1.252 302 HE2 PHE 48 2HE PHE 48 10.273 1.348 -3.297 303 HZ PHE 48 HZ PHE 48 11.722 3.274 -2.730 304 H ASP 49 H ASP 49 14.525 -2.483 1.260 305 HA ASP 49 HA ASP 49 15.232 -5.373 0.820 306 1HB ASP 49 2HB ASP 49 16.231 -3.337 2.837 307 2HB ASP 49 1HB ASP 49 16.409 -5.078 3.103 308 H PHE 50 H PHE 50 13.589 -3.049 2.976 309 HA PHE 50 HA PHE 50 11.931 -3.409 4.564 310 1HB PHE 50 2HB PHE 50 11.188 -5.286 2.291 311 2HB PHE 50 1HB PHE 50 10.162 -5.100 3.713 312 HD1 PHE 50 1HD PHE 50 12.153 -2.641 1.711 313 HD2 PHE 50 2HD PHE 50 8.353 -3.837 3.198 314 HE1 PHE 50 1HE PHE 50 11.154 -0.568 0.808 315 HE2 PHE 50 2HE PHE 50 7.326 -1.761 2.223 316 HZ PHE 50 HZ PHE 50 8.749 -0.143 1.040 317 H SER 51 H SER 51 10.608 -5.564 5.540 318 HA SER 51 HA SER 51 12.587 -7.708 6.101 319 1HB SER 51 2HB SER 51 11.163 -6.379 8.417 320 2HB SER 51 1HB SER 51 12.643 -7.350 8.417 321 HG SER 51 HG SER 51 12.276 -4.658 7.687 322 H VAL 52 H VAL 52 9.822 -7.253 4.798 323 HA VAL 52 HA VAL 52 8.116 -8.957 6.526 324 HB VAL 52 HB VAL 52 7.651 -7.470 3.983 325 1HG1 VAL 52 1HG1 VAL 52 5.993 -9.551 5.345 326 2HG1 VAL 52 2HG1 VAL 52 6.248 -9.306 3.619 327 3HG1 VAL 52 3HG1 VAL 52 5.190 -8.228 4.502 328 1HG2 VAL 52 1HG2 VAL 52 6.544 -7.192 6.758 329 2HG2 VAL 52 2HG2 VAL 52 6.000 -6.245 5.373 330 3HG2 VAL 52 3HG2 VAL 52 7.655 -6.079 5.957 331 H SER 53 H SER 53 8.322 -9.063 2.964 332 HA SER 53 HA SER 53 9.674 -11.615 2.909 333 1HB SER 53 2HB SER 53 6.662 -11.577 2.478 334 2HB SER 53 1HB SER 53 7.719 -12.952 2.141 335 HG SER 53 HG SER 53 6.791 -13.135 4.203 336 H SER 54 H SER 54 9.046 -12.644 0.567 337 HA SER 54 HA SER 54 9.846 -10.599 -1.350 338 1HB SER 54 2HB SER 54 8.924 -13.176 -2.478 339 2HB SER 54 1HB SER 54 10.464 -12.346 -2.603 340 HG SER 54 HG SER 54 10.708 -14.261 -1.431 341 HA PRO 55 HA PRO 55 5.550 -11.549 -3.240 342 1HB PRO 55 2HB PRO 55 3.791 -12.995 -1.713 343 2HB PRO 55 1HB PRO 55 4.920 -13.704 -2.865 344 1HG PRO 55 2HG PRO 55 5.066 -13.664 0.123 345 2HG PRO 55 1HG PRO 55 5.715 -14.860 -1.013 346 1HD PRO 55 2HD PRO 55 7.145 -12.844 0.272 347 2HD PRO 55 1HD PRO 55 7.729 -13.807 -1.073 348 H TYR 56 H TYR 56 5.523 -9.320 -2.755 349 HA TYR 56 HA TYR 56 4.190 -8.440 -0.275 350 1HB TYR 56 2HB TYR 56 5.718 -7.151 -2.515 351 2HB TYR 56 1HB TYR 56 4.613 -6.139 -1.620 352 HD1 TYR 56 1HD TYR 56 7.886 -6.842 -1.762 353 HD2 TYR 56 2HD TYR 56 4.706 -6.899 1.080 354 HE1 TYR 56 1HE TYR 56 9.532 -6.569 0.062 355 HE2 TYR 56 2HE TYR 56 6.307 -6.627 2.905 356 HH TYR 56 HH TYR 56 9.505 -7.222 2.691 357 H TYR 57 H TYR 57 2.772 -6.255 -1.057 358 HA TYR 57 HA TYR 57 0.995 -6.889 -3.236 359 1HB TYR 57 2HB TYR 57 0.104 -7.122 -0.354 360 2HB TYR 57 1HB TYR 57 -1.038 -6.890 -1.695 361 HD1 TYR 57 1HD TYR 57 1.161 -9.250 -0.030 362 HD2 TYR 57 2HD TYR 57 -1.248 -8.567 -3.484 363 HE1 TYR 57 1HE TYR 57 1.242 -11.675 -0.559 364 HE2 TYR 57 2HE TYR 57 -1.141 -10.959 -4.059 365 HH TYR 57 HH TYR 57 -0.169 -13.351 -1.866 366 H GLU 58 H GLU 58 0.586 -4.967 -4.144 367 HA GLU 58 HA GLU 58 1.024 -2.515 -2.556 368 1HB GLU 58 2HB GLU 58 0.611 -1.381 -4.801 369 2HB GLU 58 1HB GLU 58 2.010 -2.457 -4.712 370 1HG GLU 58 2HG GLU 58 0.942 -4.192 -5.885 371 2HG GLU 58 1HG GLU 58 -0.664 -3.474 -5.695 372 H TRP 59 H TRP 59 -0.519 -1.107 -1.943 373 HA TRP 59 HA TRP 59 -3.206 -1.119 -3.050 374 1HB TRP 59 2HB TRP 59 -3.574 -2.955 -1.557 375 2HB TRP 59 1HB TRP 59 -2.667 -2.171 -0.255 376 HD1 TRP 59 HD TRP 59 -3.904 -0.483 1.243 377 HE1 TRP 59 1HE TRP 59 -6.351 0.276 1.451 378 HE3 TRP 59 3HE TRP 59 -5.808 -2.545 -3.029 379 HZ2 TRP 59 2HZ TRP 59 -8.795 0.028 -0.027 380 HZ3 TRP 59 3HZ TRP 59 -8.206 -2.273 -3.588 381 HH2 TRP 59 HH TRP 59 -9.677 -1.007 -2.133 382 HA PRO 60 HA PRO 60 -2.439 3.059 -1.702 383 1HB PRO 60 2HB PRO 60 -4.957 4.068 -2.108 384 2HB PRO 60 1HB PRO 60 -3.797 3.754 -3.397 385 1HG PRO 60 2HG PRO 60 -6.139 2.117 -2.543 386 2HG PRO 60 1HG PRO 60 -5.547 2.391 -4.145 387 1HD PRO 60 2HD PRO 60 -5.106 0.119 -2.660 388 2HD PRO 60 1HD PRO 60 -4.036 0.589 -3.942 389 H ILE 61 H ILE 61 -2.754 4.363 0.082 390 HA ILE 61 HA ILE 61 -4.441 3.178 2.268 391 HB ILE 61 HB ILE 61 -2.317 3.097 3.169 392 1HG1 ILE 61 2HG1 ILE 61 -1.982 4.939 4.699 393 2HG1 ILE 61 1HG1 ILE 61 -2.914 6.038 3.685 394 1HG2 ILE 61 1HG2 ILE 61 -1.690 5.505 1.439 395 2HG2 ILE 61 2HG2 ILE 61 -1.060 3.866 1.332 396 3HG2 ILE 61 3HG2 ILE 61 -0.572 4.888 2.657 397 1HD1 ILE 61 1HD1 ILE 61 -4.573 3.801 4.241 398 2HD1 ILE 61 2HD1 ILE 61 -4.741 5.421 4.800 399 3HD1 ILE 61 3HD1 ILE 61 -3.831 4.284 5.736 400 H LEU 62 H LEU 62 -6.179 4.429 2.850 401 HA LEU 62 HA LEU 62 -6.060 7.363 2.202 402 1HB LEU 62 2HB LEU 62 -8.677 5.894 2.397 403 2HB LEU 62 1HB LEU 62 -8.235 7.317 1.439 404 HG LEU 62 HG LEU 62 -7.506 4.426 0.881 405 1HD1 LEU 62 1HD1 LEU 62 -8.547 5.091 -1.338 406 2HD1 LEU 62 2HD1 LEU 62 -9.119 6.554 -0.544 407 3HD1 LEU 62 3HD1 LEU 62 -9.650 4.974 0.021 408 1HD2 LEU 62 1HD2 LEU 62 -5.610 5.176 -0.064 409 2HD2 LEU 62 2HD2 LEU 62 -6.013 6.870 0.223 410 3HD2 LEU 62 3HD2 LEU 62 -6.584 6.055 -1.201 411 H SER 63 H SER 63 -7.518 8.672 3.624 412 HA SER 63 HA SER 63 -7.770 7.457 6.360 413 1HB SER 63 2HB SER 63 -5.798 8.966 6.192 414 2HB SER 63 1HB SER 63 -6.852 10.301 5.759 415 HG SER 63 HG SER 63 -7.726 10.218 7.775 416 H SER 64 H SER 64 -9.910 7.481 4.619 417 HA SER 64 HA SER 64 -11.632 9.599 5.856 418 1HB SER 64 2HB SER 64 -10.857 9.703 3.218 419 2HB SER 64 1HB SER 64 -12.359 8.783 3.093 420 HG SER 64 HG SER 64 -11.939 11.389 4.081 421 H GLY 65 H GLY 65 -11.101 6.585 6.239 422 1HA GLY 65 2HA GLY 65 -12.381 4.686 6.665 423 2HA GLY 65 1HA GLY 65 -13.710 5.812 6.946 424 H ASP 66 H ASP 66 -11.899 5.146 3.935 425 HA ASP 66 HA ASP 66 -14.291 3.832 2.791 426 1HB ASP 66 2HB ASP 66 -13.733 6.629 2.377 427 2HB ASP 66 1HB ASP 66 -13.426 5.795 0.851 428 H VAL 67 H VAL 67 -13.461 2.068 1.844 429 HA VAL 67 HA VAL 67 -10.728 1.609 1.295 430 HB VAL 67 HB VAL 67 -13.123 0.384 -0.131 431 1HG1 VAL 67 1HG1 VAL 67 -10.903 -0.021 -1.209 432 2HG1 VAL 67 2HG1 VAL 67 -11.636 -1.477 -0.582 433 3HG1 VAL 67 3HG1 VAL 67 -10.350 -0.707 0.311 434 1HG2 VAL 67 1HG2 VAL 67 -13.335 0.135 2.284 435 2HG2 VAL 67 2HG2 VAL 67 -11.660 -0.396 2.411 436 3HG2 VAL 67 3HG2 VAL 67 -12.851 -1.406 1.592 437 H TYR 68 H TYR 68 -9.504 1.759 -0.668 438 HA TYR 68 HA TYR 68 -9.956 4.015 -2.297 439 1HB TYR 68 2HB TYR 68 -7.744 3.119 -2.215 440 2HB TYR 68 1HB TYR 68 -8.285 1.523 -2.763 441 HD1 TYR 68 1HD TYR 68 -7.928 5.090 -3.793 442 HD2 TYR 68 2HD TYR 68 -8.463 1.027 -5.075 443 HE1 TYR 68 1HE TYR 68 -7.557 5.783 -6.144 444 HE2 TYR 68 2HE TYR 68 -8.102 1.717 -7.429 445 HH TYR 68 HH TYR 68 -8.447 4.426 -8.648 446 H SER 69 H SER 69 -10.625 4.176 -4.529 447 HA SER 69 HA SER 69 -11.907 1.862 -5.799 448 1HB SER 69 2HB SER 69 -13.864 2.314 -4.651 449 2HB SER 69 1HB SER 69 -13.471 4.025 -4.426 450 HG SER 69 HG SER 69 -14.334 4.482 -6.327 451 H GLY 70 H GLY 70 -11.829 5.450 -5.837 452 1HA GLY 70 2HA GLY 70 -10.529 5.464 -8.450 453 2HA GLY 70 1HA GLY 70 -12.236 5.900 -8.551 454 H GLY 71 H GLY 71 -9.179 6.799 -6.970 455 1HA GLY 71 2HA GLY 71 -9.258 9.511 -7.437 456 2HA GLY 71 1HA GLY 71 -10.261 9.340 -5.995 457 H SER 72 H SER 72 -7.493 10.538 -6.461 458 HA SER 72 HA SER 72 -5.386 10.512 -5.446 459 1HB SER 72 2HB SER 72 -7.448 10.038 -3.330 460 2HB SER 72 1HB SER 72 -5.757 9.873 -2.852 461 HG SER 72 HG SER 72 -5.375 11.949 -3.373 462 HA PRO 73 HA PRO 73 -5.018 5.839 -5.590 463 1HB PRO 73 2HB PRO 73 -3.786 5.712 -8.036 464 2HB PRO 73 1HB PRO 73 -5.534 5.625 -7.816 465 1HG PRO 73 2HG PRO 73 -3.865 7.888 -8.841 466 2HG PRO 73 1HG PRO 73 -5.558 7.502 -9.194 467 1HD PRO 73 2HD PRO 73 -4.635 9.499 -7.400 468 2HD PRO 73 1HD PRO 73 -6.284 8.882 -7.557 469 H GLY 74 H GLY 74 -2.671 8.213 -6.945 470 1HA GLY 74 2HA GLY 74 -0.420 6.669 -5.905 471 2HA GLY 74 1HA GLY 74 -0.346 8.210 -6.770 472 H ALA 75 H ALA 75 0.811 9.532 -5.346 473 HA ALA 75 HA ALA 75 1.240 10.819 -3.486 474 1HB ALA 75 1HB ALA 75 -1.594 10.048 -2.693 475 2HB ALA 75 2HB ALA 75 -1.130 11.417 -3.677 476 3HB ALA 75 3HB ALA 75 -0.631 11.340 -1.994 477 H ASP 76 H ASP 76 -0.895 8.545 -1.723 478 HA ASP 76 HA ASP 76 1.555 7.561 -0.315 479 1HB ASP 76 2HB ASP 76 -1.158 8.421 0.682 480 2HB ASP 76 1HB ASP 76 -0.283 7.164 1.565 481 H ARG 77 H ARG 77 1.749 5.371 -0.037 482 HA ARG 77 HA ARG 77 -0.556 3.601 -0.599 483 1HB ARG 77 2HB ARG 77 1.914 3.777 -2.350 484 2HB ARG 77 1HB ARG 77 0.973 2.281 -2.235 485 1HG ARG 77 2HG ARG 77 -1.075 3.696 -2.823 486 2HG ARG 77 1HG ARG 77 0.064 4.976 -3.244 487 1HD ARG 77 2HD ARG 77 1.029 3.680 -4.941 488 2HD ARG 77 1HD ARG 77 0.312 2.192 -4.380 489 HE ARG 77 HE ARG 77 -1.769 3.041 -4.860 490 1HH1 ARG 77 1HH2 ARG 77 -0.530 1.331 -6.536 491 2HH1 ARG 77 2HH2 ARG 77 -0.585 1.976 -8.144 492 1HH2 ARG 77 1HH1 ARG 77 -1.296 5.204 -7.119 493 2HH2 ARG 77 2HH1 ARG 77 -1.025 4.175 -8.468 494 H VAL 78 H VAL 78 -0.381 1.772 0.665 495 HA VAL 78 HA VAL 78 2.269 1.341 2.012 496 HB VAL 78 HB VAL 78 0.437 2.040 3.545 497 1HG1 VAL 78 1HG1 VAL 78 -1.447 0.550 3.920 498 2HG1 VAL 78 2HG1 VAL 78 -0.852 -0.575 2.720 499 3HG1 VAL 78 3HG1 VAL 78 -1.429 1.005 2.225 500 1HG2 VAL 78 1HG2 VAL 78 1.288 -0.860 3.885 501 2HG2 VAL 78 2HG2 VAL 78 0.778 0.238 5.157 502 3HG2 VAL 78 3HG2 VAL 78 2.280 0.541 4.294 503 H VAL 79 H VAL 79 3.144 -0.701 1.927 504 HA VAL 79 HA VAL 79 1.684 -2.685 0.229 505 HB VAL 79 HB VAL 79 4.613 -2.257 0.831 506 1HG1 VAL 79 1HG1 VAL 79 4.206 -4.687 0.856 507 2HG1 VAL 79 2HG1 VAL 79 5.014 -4.236 -0.610 508 3HG1 VAL 79 3HG1 VAL 79 3.292 -4.550 -0.631 509 1HG2 VAL 79 1HG2 VAL 79 4.804 -1.842 -1.501 510 2HG2 VAL 79 2HG2 VAL 79 3.406 -0.918 -0.950 511 3HG2 VAL 79 3HG2 VAL 79 3.170 -2.431 -1.816 512 H PHE 80 H PHE 80 2.104 -4.987 0.820 513 HA PHE 80 HA PHE 80 2.754 -5.554 3.598 514 1HB PHE 80 2HB PHE 80 0.426 -6.343 4.109 515 2HB PHE 80 1HB PHE 80 0.534 -4.610 3.812 516 HD1 PHE 80 1HD PHE 80 0.146 -3.821 1.319 517 HD2 PHE 80 2HD PHE 80 -1.166 -7.574 2.928 518 HE1 PHE 80 1HE PHE 80 -1.469 -4.015 -0.515 519 HE2 PHE 80 2HE PHE 80 -2.808 -7.767 1.088 520 HZ PHE 80 HZ PHE 80 -2.976 -5.982 -0.631 521 H ASN 81 H ASN 81 1.690 -8.028 3.904 522 HA ASN 81 HA ASN 81 2.492 -9.483 1.403 523 1HB ASN 81 2HB ASN 81 4.174 -9.689 3.171 524 2HB ASN 81 1HB ASN 81 2.966 -10.330 4.283 525 1HD2 ASN 81 1HD2 ASN 81 4.660 -12.208 4.163 526 2HD2 ASN 81 2HD2 ASN 81 4.374 -13.377 2.926 527 H GLU 82 H GLU 82 0.602 -9.685 4.386 528 HA GLU 82 HA GLU 82 -1.818 -10.443 3.311 529 1HB GLU 82 2HB GLU 82 -1.799 -12.967 3.683 530 2HB GLU 82 1HB GLU 82 -0.875 -12.423 2.291 531 1HG GLU 82 2HG GLU 82 1.139 -12.345 4.053 532 2HG GLU 82 1HG GLU 82 0.078 -13.432 4.943 533 H ASN 83 H ASN 83 0.555 -10.841 5.845 534 HA ASN 83 HA ASN 83 -1.599 -11.199 7.858 535 1HB ASN 83 2HB ASN 83 1.173 -12.077 7.631 536 2HB ASN 83 1HB ASN 83 0.970 -11.154 9.118 537 1HD2 ASN 83 1HD2 ASN 83 1.445 -13.951 9.141 538 2HD2 ASN 83 2HD2 ASN 83 0.017 -14.709 9.751 539 H ASN 84 H ASN 84 -1.058 -8.699 6.333 540 HA ASN 84 HA ASN 84 -0.706 -6.458 6.682 541 1HB ASN 84 2HB ASN 84 -1.929 -5.563 8.546 542 2HB ASN 84 1HB ASN 84 -2.782 -7.037 8.071 543 1HD2 ASN 84 1HD2 ASN 84 -0.719 -5.612 10.549 544 2HD2 ASN 84 2HD2 ASN 84 -0.949 -6.893 11.685 545 H GLN 85 H GLN 85 1.516 -8.280 7.359 546 HA GLN 85 HA GLN 85 2.848 -7.555 9.759 547 1HB GLN 85 2HB GLN 85 4.487 -7.892 7.249 548 2HB GLN 85 1HB GLN 85 4.739 -8.563 8.869 549 1HG GLN 85 2HG GLN 85 2.388 -9.788 8.163 550 2HG GLN 85 1HG GLN 85 3.187 -9.624 6.589 551 1HE2 GLN 85 1HE2 GLN 85 4.568 -11.322 6.141 552 2HE2 GLN 85 2HE2 GLN 85 5.313 -12.317 7.340 553 H LEU 86 H LEU 86 2.478 -5.948 6.657 554 HA LEU 86 HA LEU 86 2.590 -3.703 6.242 555 1HB LEU 86 2HB LEU 86 2.723 -3.582 8.969 556 2HB LEU 86 1HB LEU 86 4.343 -3.000 8.579 557 HG LEU 86 HG LEU 86 3.000 -1.058 8.645 558 1HD1 LEU 86 1HD1 LEU 86 3.068 -0.219 6.422 559 2HD1 LEU 86 2HD1 LEU 86 2.950 -1.810 5.698 560 3HD1 LEU 86 3HD1 LEU 86 4.419 -1.328 6.557 561 1HD2 LEU 86 1HD2 LEU 86 0.825 -2.229 8.675 562 2HD2 LEU 86 2HD2 LEU 86 0.978 -2.548 6.949 563 3HD2 LEU 86 3HD2 LEU 86 0.824 -0.892 7.527 564 H ALA 87 H ALA 87 3.906 -3.677 4.486 565 HA ALA 87 HA ALA 87 6.756 -4.385 4.659 566 1HB ALA 87 1HB ALA 87 6.732 -4.249 2.308 567 2HB ALA 87 2HB ALA 87 5.478 -3.049 2.302 568 3HB ALA 87 3HB ALA 87 5.087 -4.715 2.668 569 H GLY 88 H GLY 88 4.800 -1.460 4.110 570 1HA GLY 88 2HA GLY 88 6.214 0.397 5.517 571 2HA GLY 88 1HA GLY 88 7.203 0.255 4.060 572 H VAL 89 H VAL 89 5.819 2.649 4.789 573 HA VAL 89 HA VAL 89 3.481 2.725 2.940 574 HB VAL 89 HB VAL 89 4.573 4.841 4.812 575 1HG1 VAL 89 1HG1 VAL 89 2.050 4.680 3.134 576 2HG1 VAL 89 2HG1 VAL 89 3.357 5.853 2.962 577 3HG1 VAL 89 3HG1 VAL 89 2.333 5.886 4.389 578 1HG2 VAL 89 1HG2 VAL 89 3.677 2.934 6.053 579 2HG2 VAL 89 2HG2 VAL 89 2.279 2.882 5.015 580 3HG2 VAL 89 3HG2 VAL 89 2.472 4.216 6.104 581 H ILE 90 H ILE 90 4.530 2.640 0.943 582 HA ILE 90 HA ILE 90 6.703 4.500 0.271 583 HB ILE 90 HB ILE 90 6.305 3.654 -2.054 584 1HG1 ILE 90 2HG1 ILE 90 4.023 2.273 -0.661 585 2HG1 ILE 90 1HG1 ILE 90 4.083 2.926 -2.278 586 1HG2 ILE 90 1HG2 ILE 90 6.641 1.433 -0.042 587 2HG2 ILE 90 2HG2 ILE 90 7.869 2.659 -0.339 588 3HG2 ILE 90 3HG2 ILE 90 7.396 1.577 -1.634 589 1HD1 ILE 90 1HD1 ILE 90 4.019 0.600 -2.545 590 2HD1 ILE 90 2HD1 ILE 90 5.141 0.331 -1.226 591 3HD1 ILE 90 3HD1 ILE 90 5.722 0.944 -2.742 592 H THR 91 H THR 91 6.319 5.908 -1.829 593 HA THR 91 HA THR 91 3.621 7.173 -1.660 594 HB THR 91 HB THR 91 5.518 8.393 -0.415 595 HG1 THR 91 1HG THR 91 4.139 9.779 -2.521 596 1HG2 THR 91 1HG2 THR 91 6.278 9.388 -3.142 597 2HG2 THR 91 2HG2 THR 91 7.079 7.988 -2.449 598 3HG2 THR 91 3HG2 THR 91 7.150 9.536 -1.623 599 H HIS 92 H HIS 92 2.827 8.036 -3.555 600 HA HIS 92 HA HIS 92 4.164 7.175 -6.050 601 1HB HIS 92 2HB HIS 92 1.481 7.465 -5.152 602 2HB HIS 92 1HB HIS 92 1.671 8.460 -6.602 603 HD1 HIS 92 1HD HIS 92 2.426 4.935 -5.394 604 HD2 HIS 92 2HD HIS 92 1.484 6.991 -8.891 605 HE1 HIS 92 1HE HIS 92 1.993 3.197 -7.174 606 HE2 HIS 92 2HE HIS 92 1.832 4.452 -9.352 607 H THR 93 H THR 93 5.746 9.036 -5.235 608 HA THR 93 HA THR 93 5.521 11.198 -7.070 609 HB THR 93 HB THR 93 3.664 11.734 -5.294 610 HG1 THR 93 1HG THR 93 4.163 13.303 -6.724 611 1HG2 THR 93 1HG2 THR 93 5.493 11.284 -3.442 612 2HG2 THR 93 2HG2 THR 93 4.295 12.549 -3.264 613 3HG2 THR 93 3HG2 THR 93 5.915 12.965 -3.782 614 H GLY 94 H GLY 94 7.495 9.328 -5.652 615 1HA GLY 94 2HA GLY 94 9.520 11.460 -5.053 616 2HA GLY 94 1HA GLY 94 9.353 10.035 -4.032 617 H ALA 95 H ALA 95 8.859 9.775 -7.499 618 HA ALA 95 HA ALA 95 11.636 8.937 -7.985 619 1HB ALA 95 1HB ALA 95 9.520 7.015 -7.333 620 2HB ALA 95 2HB ALA 95 11.262 6.827 -7.292 621 3HB ALA 95 3HB ALA 95 10.404 6.620 -8.812 622 H SER 96 H SER 96 11.666 10.337 -9.763 623 HA SER 96 HA SER 96 10.998 11.242 -11.829 624 1HB SER 96 2HB SER 96 11.762 8.451 -11.989 625 2HB SER 96 1HB SER 96 10.621 8.810 -13.280 626 HG SER 96 HG SER 96 12.756 9.281 -13.894 627 H GLY 97 H GLY 97 8.754 11.467 -10.390 628 1HA GLY 97 2HA GLY 97 6.564 11.938 -11.551 629 2HA GLY 97 1HA GLY 97 6.585 10.269 -12.112 630 H ASN 98 H ASN 98 6.306 8.564 -10.522 631 HA ASN 98 HA ASN 98 5.414 9.480 -7.883 632 1HB ASN 98 2HB ASN 98 3.663 7.410 -8.524 633 2HB ASN 98 1HB ASN 98 3.229 9.093 -8.396 634 1HD2 ASN 98 1HD2 ASN 98 3.355 10.411 -10.381 635 2HD2 ASN 98 2HD2 ASN 98 3.159 9.609 -11.898 636 H ASN 99 H ASN 99 5.437 6.354 -9.597 637 HA ASN 99 HA ASN 99 6.199 4.298 -8.812 638 1HB ASN 99 2HB ASN 99 8.349 6.108 -9.146 639 2HB ASN 99 1HB ASN 99 8.687 5.275 -7.625 640 1HD2 ASN 99 1HD2 ASN 99 9.987 3.524 -7.999 641 2HD2 ASN 99 2HD2 ASN 99 9.844 2.481 -9.368 642 H PHE 100 H PHE 100 7.775 3.573 -6.593 643 HA PHE 100 HA PHE 100 6.228 4.734 -4.316 644 1HB PHE 100 2HB PHE 100 6.882 1.867 -4.031 645 2HB PHE 100 1HB PHE 100 5.448 2.798 -3.665 646 HD1 PHE 100 1HD PHE 100 7.264 1.774 -6.757 647 HD2 PHE 100 2HD PHE 100 3.521 2.200 -4.687 648 HE1 PHE 100 1HE PHE 100 6.077 0.844 -8.713 649 HE2 PHE 100 2HE PHE 100 2.339 1.246 -6.642 650 HZ PHE 100 HZ PHE 100 3.612 0.575 -8.656 651 H VAL 101 H VAL 101 7.674 5.660 -3.002 652 HA VAL 101 HA VAL 101 10.150 4.147 -2.361 653 HB VAL 101 HB VAL 101 11.176 6.539 -2.047 654 1HG1 VAL 101 1HG1 VAL 101 10.616 5.339 -4.780 655 2HG1 VAL 101 2HG1 VAL 101 11.989 4.989 -3.732 656 3HG1 VAL 101 3HG1 VAL 101 11.828 6.579 -4.454 657 1HG2 VAL 101 1HG2 VAL 101 8.934 7.110 -4.027 658 2HG2 VAL 101 2HG2 VAL 101 10.222 8.201 -3.541 659 3HG2 VAL 101 3HG2 VAL 101 9.022 7.707 -2.368 660 H GLU 102 H GLU 102 10.352 3.797 -0.220 661 HA GLU 102 HA GLU 102 8.414 4.304 1.672 662 1HB GLU 102 2HB GLU 102 11.419 4.326 2.145 663 2HB GLU 102 1HB GLU 102 10.194 4.106 3.402 664 1HG GLU 102 2HG GLU 102 9.433 2.206 1.543 665 2HG GLU 102 1HG GLU 102 11.196 2.216 1.364 666 H CYS 103 H CYS 103 7.444 6.292 1.929 667 HA CYS 103 HA CYS 103 8.897 8.777 1.696 668 1HB CYS 103 2HB CYS 103 6.235 8.132 1.637 669 2HB CYS 103 1HB CYS 103 6.342 8.817 3.263 670 H THR 104 H THR 104 10.477 9.230 3.178 671 HA THR 104 HA THR 104 9.707 9.163 6.069 672 HB THR 104 HB THR 104 11.029 7.099 5.582 673 HG1 THR 104 1HG THR 104 11.411 7.869 7.602 674 1HG2 THR 104 1HG2 THR 104 12.278 8.096 3.632 675 2HG2 THR 104 2HG2 THR 104 13.290 7.251 4.792 676 3HG2 THR 104 3HG2 THR 104 13.247 9.007 4.793 Start of MODEL 24 1 1H ALA 1 1HT ALA 1 0.886 12.680 15.164 2 2H ALA 1 2HT ALA 1 0.236 12.478 16.736 3 3H ALA 1 3HT ALA 1 -0.773 12.281 15.358 4 HA ALA 1 HA ALA 1 1.538 10.580 16.117 5 1HB ALA 1 1HB ALA 1 -1.448 10.052 16.150 6 2HB ALA 1 2HB ALA 1 -0.418 10.272 17.563 7 3HB ALA 1 3HB ALA 1 -0.190 8.868 16.521 8 H CYS 2 H CYS 2 2.399 9.619 14.323 9 HA CYS 2 HA CYS 2 1.063 8.236 12.379 10 1HB CYS 2 2HB CYS 2 1.193 10.011 10.432 11 2HB CYS 2 1HB CYS 2 -0.169 10.049 11.553 12 H ASP 3 H ASP 3 2.907 6.995 12.268 13 HA ASP 3 HA ASP 3 5.517 8.246 11.823 14 1HB ASP 3 2HB ASP 3 4.866 5.943 13.015 15 2HB ASP 3 1HB ASP 3 5.051 5.295 11.381 16 H TYR 4 H TYR 4 2.896 7.664 9.803 17 HA TYR 4 HA TYR 4 4.691 7.373 7.452 18 1HB TYR 4 2HB TYR 4 1.912 6.306 8.023 19 2HB TYR 4 1HB TYR 4 2.470 6.516 6.354 20 HD1 TYR 4 1HD TYR 4 1.924 3.973 8.365 21 HD2 TYR 4 2HD TYR 4 5.324 5.848 6.515 22 HE1 TYR 4 1HE TYR 4 3.169 1.831 8.465 23 HE2 TYR 4 2HE TYR 4 6.564 3.723 6.628 24 HH TYR 4 HH TYR 4 6.159 1.411 8.417 25 H THR 5 H THR 5 4.984 9.367 6.672 26 HA THR 5 HA THR 5 2.541 10.927 5.964 27 HB THR 5 HB THR 5 4.948 12.033 7.472 28 HG1 THR 5 1HG THR 5 2.178 11.758 8.155 29 1HG2 THR 5 1HG2 THR 5 2.794 13.315 5.851 30 2HG2 THR 5 2HG2 THR 5 4.451 13.831 6.165 31 3HG2 THR 5 3HG2 THR 5 3.212 14.067 7.389 32 H CYS 6 H CYS 6 2.810 12.077 4.007 33 HA CYS 6 HA CYS 6 5.513 11.799 2.715 34 1HB CYS 6 2HB CYS 6 2.737 11.472 1.545 35 2HB CYS 6 1HB CYS 6 4.198 11.616 0.553 36 H GLY 7 H GLY 7 3.878 13.986 4.136 37 1HA GLY 7 2HA GLY 7 5.015 16.215 2.979 38 2HA GLY 7 1HA GLY 7 3.475 16.033 2.136 39 H SER 8 H SER 8 1.509 16.246 3.361 40 HA SER 8 HA SER 8 1.896 17.460 6.083 41 1HB SER 8 2HB SER 8 0.804 18.646 3.702 42 2HB SER 8 1HB SER 8 -0.505 18.468 4.865 43 HG SER 8 HG SER 8 1.905 19.900 5.104 44 H ASN 9 H ASN 9 1.203 14.652 5.192 45 HA ASN 9 HA ASN 9 -1.570 14.499 6.309 46 1HB ASN 9 2HB ASN 9 0.056 12.713 4.494 47 2HB ASN 9 1HB ASN 9 -1.285 12.063 5.412 48 1HD2 ASN 9 1HD2 ASN 9 -0.693 15.020 3.462 49 2HD2 ASN 9 2HD2 ASN 9 -2.207 14.922 2.653 50 H CYS 10 H CYS 10 -1.862 13.605 8.284 51 HA CYS 10 HA CYS 10 0.527 12.451 9.623 52 1HB CYS 10 2HB CYS 10 -0.566 14.420 10.713 53 2HB CYS 10 1HB CYS 10 -2.070 13.496 10.834 54 H TYR 11 H TYR 11 0.065 10.417 8.375 55 HA TYR 11 HA TYR 11 -2.406 8.977 9.063 56 1HB TYR 11 2HB TYR 11 -0.002 8.405 7.339 57 2HB TYR 11 1HB TYR 11 -1.083 7.086 7.781 58 HD1 TYR 11 1HD TYR 11 -2.261 6.610 5.820 59 HD2 TYR 11 2HD TYR 11 -1.876 10.689 7.100 60 HE1 TYR 11 1HE TYR 11 -3.865 7.334 4.061 61 HE2 TYR 11 2HE TYR 11 -3.467 11.395 5.377 62 HH TYR 11 HH TYR 11 -5.161 10.579 3.911 63 H SER 12 H SER 12 -2.636 7.661 10.779 64 HA SER 12 HA SER 12 -0.360 7.167 12.560 65 1HB SER 12 2HB SER 12 -2.892 5.754 13.127 66 2HB SER 12 1HB SER 12 -1.923 6.813 14.147 67 HG SER 12 HG SER 12 -3.890 7.801 13.639 68 H SER 13 H SER 13 0.912 5.368 12.461 69 HA SER 13 HA SER 13 0.751 3.412 10.480 70 1HB SER 13 2HB SER 13 1.803 2.003 12.663 71 2HB SER 13 1HB SER 13 2.710 3.010 11.532 72 HG SER 13 HG SER 13 3.097 3.762 13.598 73 H SER 14 H SER 14 -1.178 3.715 13.378 74 HA SER 14 HA SER 14 -2.111 0.955 13.329 75 1HB SER 14 2HB SER 14 -2.435 3.318 15.047 76 2HB SER 14 1HB SER 14 -3.939 2.417 14.849 77 HG SER 14 HG SER 14 -3.006 0.634 15.691 78 H ASP 15 H ASP 15 -3.370 4.110 12.226 79 HA ASP 15 HA ASP 15 -5.930 3.030 11.421 80 1HB ASP 15 2HB ASP 15 -4.585 5.618 11.344 81 2HB ASP 15 1HB ASP 15 -5.309 5.285 9.769 82 H VAL 16 H VAL 16 -2.781 3.432 9.924 83 HA VAL 16 HA VAL 16 -3.516 2.830 7.250 84 HB VAL 16 HB VAL 16 -0.930 1.852 8.504 85 1HG1 VAL 16 1HG1 VAL 16 -1.700 2.980 5.802 86 2HG1 VAL 16 2HG1 VAL 16 -1.292 1.314 6.150 87 3HG1 VAL 16 3HG1 VAL 16 -0.058 2.567 6.269 88 1HG2 VAL 16 1HG2 VAL 16 -0.243 4.319 7.728 89 2HG2 VAL 16 2HG2 VAL 16 -0.816 3.967 9.325 90 3HG2 VAL 16 3HG2 VAL 16 -1.918 4.662 8.159 91 H SER 17 H SER 17 -3.188 0.844 10.111 92 HA SER 17 HA SER 17 -2.966 -1.704 8.872 93 1HB SER 17 2HB SER 17 -2.716 -1.136 11.358 94 2HB SER 17 1HB SER 17 -4.480 -1.146 11.448 95 HG SER 17 HG SER 17 -3.749 -3.201 11.931 96 H THR 18 H THR 18 -5.805 0.245 9.831 97 HA THR 18 HA THR 18 -7.755 -1.691 8.994 98 HB THR 18 HB THR 18 -8.825 0.944 8.563 99 HG1 THR 18 1HG THR 18 -8.015 2.111 10.214 100 1HG2 THR 18 1HG2 THR 18 -9.985 -0.961 9.601 101 2HG2 THR 18 2HG2 THR 18 -10.036 0.472 10.626 102 3HG2 THR 18 3HG2 THR 18 -8.921 -0.841 11.006 103 H ALA 19 H ALA 19 -5.937 0.827 7.335 104 HA ALA 19 HA ALA 19 -7.380 0.427 4.800 105 1HB ALA 19 1HB ALA 19 -5.835 2.070 3.924 106 2HB ALA 19 2HB ALA 19 -4.828 1.946 5.373 107 3HB ALA 19 3HB ALA 19 -6.446 2.649 5.478 108 H GLN 20 H GLN 20 -4.877 -1.130 6.505 109 HA GLN 20 HA GLN 20 -3.500 -2.075 4.097 110 1HB GLN 20 2HB GLN 20 -2.592 -1.600 6.667 111 2HB GLN 20 1HB GLN 20 -2.847 -3.334 6.728 112 1HG GLN 20 2HG GLN 20 -1.019 -1.771 4.935 113 2HG GLN 20 1HG GLN 20 -0.674 -3.143 5.986 114 1HE2 GLN 20 1HE2 GLN 20 -1.895 -5.212 5.366 115 2HE2 GLN 20 2HE2 GLN 20 -2.135 -5.503 3.705 116 H ALA 21 H ALA 21 -6.006 -2.972 6.304 117 HA ALA 21 HA ALA 21 -5.917 -5.833 5.587 118 1HB ALA 21 1HB ALA 21 -6.546 -5.171 7.868 119 2HB ALA 21 2HB ALA 21 -7.881 -5.997 7.066 120 3HB ALA 21 3HB ALA 21 -7.904 -4.239 7.237 121 H ALA 22 H ALA 22 -7.134 -2.951 4.239 122 HA ALA 22 HA ALA 22 -9.579 -4.104 3.113 123 1HB ALA 22 1HB ALA 22 -8.091 -1.562 2.370 124 2HB ALA 22 2HB ALA 22 -9.359 -1.679 3.590 125 3HB ALA 22 3HB ALA 22 -9.732 -2.002 1.902 126 H GLY 23 H GLY 23 -6.461 -2.948 1.731 127 1HA GLY 23 2HA GLY 23 -6.896 -4.056 -0.872 128 2HA GLY 23 1HA GLY 23 -5.325 -3.668 -0.183 129 H TYR 24 H TYR 24 -6.022 -5.503 2.176 130 HA TYR 24 HA TYR 24 -4.916 -7.927 0.938 131 1HB TYR 24 2HB TYR 24 -3.903 -7.301 3.013 132 2HB TYR 24 1HB TYR 24 -5.469 -7.068 3.793 133 HD1 TYR 24 1HD TYR 24 -6.218 -8.759 5.182 134 HD2 TYR 24 2HD TYR 24 -3.585 -9.739 1.934 135 HE1 TYR 24 1HE TYR 24 -6.190 -11.126 5.922 136 HE2 TYR 24 2HE TYR 24 -3.561 -12.108 2.668 137 HH TYR 24 HH TYR 24 -5.554 -13.575 4.310 138 H GLN 25 H GLN 25 -7.536 -7.512 3.365 139 HA GLN 25 HA GLN 25 -8.814 -9.925 3.018 140 1HB GLN 25 2HB GLN 25 -9.503 -7.472 4.209 141 2HB GLN 25 1HB GLN 25 -10.803 -7.747 3.068 142 1HG GLN 25 2HG GLN 25 -11.600 -8.882 4.892 143 2HG GLN 25 1HG GLN 25 -10.756 -10.199 4.066 144 1HE2 GLN 25 1HE2 GLN 25 -10.828 -8.256 6.938 145 2HE2 GLN 25 2HE2 GLN 25 -9.437 -8.969 7.674 146 H LEU 26 H LEU 26 -9.496 -6.983 1.101 147 HA LEU 26 HA LEU 26 -11.338 -8.185 -0.698 148 1HB LEU 26 2HB LEU 26 -9.499 -5.818 -0.789 149 2HB LEU 26 1HB LEU 26 -10.201 -6.338 -2.302 150 HG LEU 26 HG LEU 26 -11.442 -4.568 -0.695 151 1HD1 LEU 26 1HD1 LEU 26 -12.365 -5.019 -2.786 152 2HD1 LEU 26 2HD1 LEU 26 -13.630 -5.571 -1.721 153 3HD1 LEU 26 3HD1 LEU 26 -12.514 -6.713 -2.451 154 1HD2 LEU 26 1HD2 LEU 26 -11.571 -6.277 1.180 155 2HD2 LEU 26 2HD2 LEU 26 -12.697 -7.199 0.176 156 3HD2 LEU 26 3HD2 LEU 26 -13.093 -5.572 0.685 157 H HIS 27 H HIS 27 -7.804 -7.981 -0.856 158 HA HIS 27 HA HIS 27 -7.424 -9.096 -3.397 159 1HB HIS 27 2HB HIS 27 -5.526 -8.268 -2.149 160 2HB HIS 27 1HB HIS 27 -5.769 -9.463 -0.875 161 HD1 HIS 27 1HD HIS 27 -5.947 -10.221 -4.570 162 HD2 HIS 27 2HD HIS 27 -3.446 -10.944 -1.309 163 HE1 HIS 27 1HE HIS 27 -4.232 -11.897 -5.347 164 HE2 HIS 27 2HE HIS 27 -2.909 -12.546 -3.291 165 H GLU 28 H GLU 28 -7.607 -10.860 -0.281 166 HA GLU 28 HA GLU 28 -7.749 -13.417 -1.725 167 1HB GLU 28 2HB GLU 28 -6.561 -13.126 0.500 168 2HB GLU 28 1HB GLU 28 -8.142 -12.901 1.251 169 1HG GLU 28 2HG GLU 28 -7.475 -15.213 1.487 170 2HG GLU 28 1HG GLU 28 -8.838 -15.153 0.384 171 H ASP 29 H ASP 29 -9.981 -11.032 -1.074 172 HA ASP 29 HA ASP 29 -12.214 -12.883 -0.546 173 1HB ASP 29 2HB ASP 29 -12.091 -10.709 0.680 174 2HB ASP 29 1HB ASP 29 -12.247 -9.862 -0.861 175 H GLY 30 H GLY 30 -10.545 -11.619 -3.213 176 1HA GLY 30 2HA GLY 30 -11.066 -12.114 -5.465 177 2HA GLY 30 1HA GLY 30 -12.736 -12.455 -5.020 178 H GLU 31 H GLU 31 -13.228 -10.020 -3.558 179 HA GLU 31 HA GLU 31 -13.918 -8.277 -5.722 180 1HB GLU 31 2HB GLU 31 -14.033 -8.166 -2.710 181 2HB GLU 31 1HB GLU 31 -14.185 -6.647 -3.590 182 1HG GLU 31 2HG GLU 31 -16.339 -7.838 -3.083 183 2HG GLU 31 1HG GLU 31 -16.078 -7.310 -4.753 184 H THR 32 H THR 32 -13.242 -5.741 -5.157 185 HA THR 32 HA THR 32 -10.414 -5.475 -4.492 186 HB THR 32 HB THR 32 -9.930 -4.510 -6.853 187 HG1 THR 32 1HG THR 32 -11.286 -5.320 -8.481 188 1HG2 THR 32 1HG2 THR 32 -9.299 -6.862 -5.785 189 2HG2 THR 32 2HG2 THR 32 -8.985 -6.519 -7.466 190 3HG2 THR 32 3HG2 THR 32 -10.403 -7.448 -7.031 191 H VAL 33 H VAL 33 -11.884 -3.390 -6.922 192 HA VAL 33 HA VAL 33 -12.626 -1.454 -4.767 193 HB VAL 33 HB VAL 33 -11.535 0.334 -6.298 194 1HG1 VAL 33 1HG1 VAL 33 -9.404 0.066 -5.228 195 2HG1 VAL 33 2HG1 VAL 33 -9.709 -1.651 -4.958 196 3HG1 VAL 33 3HG1 VAL 33 -10.654 -0.441 -4.092 197 1HG2 VAL 33 1HG2 VAL 33 -9.841 -0.416 -7.811 198 2HG2 VAL 33 2HG2 VAL 33 -11.249 -1.369 -8.209 199 3HG2 VAL 33 3HG2 VAL 33 -9.969 -2.070 -7.258 200 H GLY 34 H GLY 34 -12.630 0.024 -7.831 201 1HA GLY 34 2HA GLY 34 -15.558 -0.340 -7.994 202 2HA GLY 34 1HA GLY 34 -14.599 0.919 -8.765 203 H SER 35 H SER 35 -14.075 -2.614 -8.807 204 HA SER 35 HA SER 35 -14.175 -4.104 -10.586 205 1HB SER 35 2HB SER 35 -16.194 -2.436 -11.228 206 2HB SER 35 1HB SER 35 -15.090 -2.023 -12.548 207 HG SER 35 HG SER 35 -16.287 -4.493 -11.924 208 H ASN 36 H ASN 36 -11.951 -2.101 -9.988 209 HA ASN 36 HA ASN 36 -10.608 -2.236 -12.658 210 1HB ASN 36 2HB ASN 36 -10.807 -0.072 -10.612 211 2HB ASN 36 1HB ASN 36 -9.197 -0.317 -11.293 212 1HD2 ASN 36 1HD2 ASN 36 -10.965 1.979 -11.760 213 2HD2 ASN 36 2HD2 ASN 36 -11.246 1.997 -13.464 214 H SER 37 H SER 37 -10.718 -3.851 -9.865 215 HA SER 37 HA SER 37 -9.166 -5.009 -8.618 216 1HB SER 37 2HB SER 37 -7.665 -6.336 -9.893 217 2HB SER 37 1HB SER 37 -9.049 -6.029 -10.950 218 HG SER 37 HG SER 37 -7.179 -5.553 -12.088 219 H TYR 38 H TYR 38 -8.457 -3.264 -7.249 220 HA TYR 38 HA TYR 38 -6.078 -1.767 -8.126 221 1HB TYR 38 2HB TYR 38 -8.205 -1.097 -6.536 222 2HB TYR 38 1HB TYR 38 -6.960 -1.343 -5.333 223 HD1 TYR 38 1HD TYR 38 -8.383 1.010 -7.495 224 HD2 TYR 38 2HD TYR 38 -4.577 -0.360 -6.060 225 HE1 TYR 38 1HE TYR 38 -7.363 3.177 -8.120 226 HE2 TYR 38 2HE TYR 38 -3.566 1.822 -6.663 227 HH TYR 38 HH TYR 38 -4.604 3.857 -8.688 228 HA PRO 39 HA PRO 39 -4.249 -4.138 -4.431 229 1HB PRO 39 2HB PRO 39 -5.507 -6.433 -3.643 230 2HB PRO 39 1HB PRO 39 -5.789 -4.843 -2.937 231 1HG PRO 39 2HG PRO 39 -7.526 -6.398 -4.797 232 2HG PRO 39 1HG PRO 39 -7.991 -5.181 -3.597 233 1HD PRO 39 2HD PRO 39 -7.752 -4.812 -6.381 234 2HD PRO 39 1HD PRO 39 -7.949 -3.512 -5.184 235 H HIS 40 H HIS 40 -2.630 -4.797 -5.606 236 HA HIS 40 HA HIS 40 -2.782 -7.364 -7.141 237 1HB HIS 40 2HB HIS 40 -0.847 -5.986 -8.552 238 2HB HIS 40 1HB HIS 40 -2.556 -6.013 -8.995 239 HD1 HIS 40 1HD HIS 40 -1.022 -4.154 -6.114 240 HD2 HIS 40 2HD HIS 40 -2.921 -3.344 -9.726 241 HE1 HIS 40 1HE HIS 40 -1.620 -1.714 -6.060 242 HE2 HIS 40 2HE HIS 40 -2.430 -1.156 -8.389 243 H LYS 41 H LYS 41 -0.174 -7.800 -7.755 244 HA LYS 41 HA LYS 41 1.074 -7.898 -5.062 245 1HB LYS 41 2HB LYS 41 2.230 -9.829 -5.733 246 2HB LYS 41 1HB LYS 41 0.627 -10.010 -6.437 247 1HG LYS 41 2HG LYS 41 1.596 -10.311 -8.387 248 2HG LYS 41 1HG LYS 41 1.972 -8.613 -8.439 249 1HD LYS 41 2HD LYS 41 4.158 -9.065 -8.318 250 2HD LYS 41 1HD LYS 41 3.955 -9.885 -6.771 251 1HE LYS 41 2HE LYS 41 4.032 -11.938 -7.699 252 2HE LYS 41 1HE LYS 41 3.053 -11.485 -9.098 253 1HZ LYS 41 1HZ LYS 41 5.131 -11.891 -9.980 254 2HZ LYS 41 2HZ LYS 41 5.945 -11.166 -8.698 255 3HZ LYS 41 3HZ LYS 41 5.144 -10.204 -9.839 256 H TYR 42 H TYR 42 3.152 -7.063 -4.716 257 HA TYR 42 HA TYR 42 4.272 -5.409 -6.933 258 1HB TYR 42 2HB TYR 42 3.737 -4.090 -4.973 259 2HB TYR 42 1HB TYR 42 4.556 -5.210 -3.925 260 HD1 TYR 42 1HD TYR 42 5.161 -3.004 -6.881 261 HD2 TYR 42 2HD TYR 42 6.796 -4.861 -3.379 262 HE1 TYR 42 1HE TYR 42 7.262 -1.767 -7.214 263 HE2 TYR 42 2HE TYR 42 8.904 -3.605 -3.704 264 HH TYR 42 HH TYR 42 9.814 -2.171 -6.490 265 H ASN 43 H ASN 43 6.680 -5.391 -7.106 266 HA ASN 43 HA ASN 43 7.823 -8.021 -6.267 267 1HB ASN 43 2HB ASN 43 7.762 -6.668 -8.799 268 2HB ASN 43 1HB ASN 43 9.442 -6.729 -8.285 269 1HD2 ASN 43 1HD2 ASN 43 6.698 -8.699 -9.201 270 2HD2 ASN 43 2HD2 ASN 43 7.619 -10.155 -9.321 271 H ASN 44 H ASN 44 9.591 -5.120 -7.337 272 HA ASN 44 HA ASN 44 10.429 -3.889 -5.084 273 1HB ASN 44 2HB ASN 44 12.533 -5.234 -4.438 274 2HB ASN 44 1HB ASN 44 10.990 -5.820 -3.834 275 1HD2 ASN 44 1HD2 ASN 44 10.815 -8.032 -4.103 276 2HD2 ASN 44 2HD2 ASN 44 11.487 -8.912 -5.429 277 H TYR 45 H TYR 45 11.909 -2.342 -5.712 278 HA TYR 45 HA TYR 45 13.939 -3.019 -7.738 279 1HB TYR 45 2HB TYR 45 11.683 -1.032 -8.237 280 2HB TYR 45 1HB TYR 45 13.184 -1.026 -9.179 281 HD1 TYR 45 1HD TYR 45 9.998 -1.886 -9.629 282 HD2 TYR 45 2HD TYR 45 13.841 -3.808 -9.561 283 HE1 TYR 45 1HE TYR 45 9.129 -3.684 -11.101 284 HE2 TYR 45 2HE TYR 45 12.975 -5.605 -11.017 285 HH TYR 45 HH TYR 45 10.069 -6.430 -11.437 286 H GLU 46 H GLU 46 12.435 -0.057 -6.416 287 HA GLU 46 HA GLU 46 14.620 1.564 -6.267 288 1HB GLU 46 2HB GLU 46 12.086 1.521 -5.101 289 2HB GLU 46 1HB GLU 46 13.145 1.498 -3.690 290 1HG GLU 46 2HG GLU 46 14.080 3.397 -5.711 291 2HG GLU 46 1HG GLU 46 12.427 3.700 -5.191 292 H GLY 47 H GLY 47 13.738 -0.791 -3.740 293 1HA GLY 47 2HA GLY 47 15.885 -2.155 -3.096 294 2HA GLY 47 1HA GLY 47 16.493 -0.575 -2.595 295 H PHE 48 H PHE 48 15.024 0.646 -1.037 296 HA PHE 48 HA PHE 48 13.869 0.730 0.973 297 1HB PHE 48 2HB PHE 48 12.765 -2.018 0.205 298 2HB PHE 48 1HB PHE 48 12.130 -0.876 1.370 299 HD1 PHE 48 1HD PHE 48 12.444 -1.638 -2.185 300 HD2 PHE 48 2HD PHE 48 11.110 1.251 0.702 301 HE1 PHE 48 1HE PHE 48 11.180 -0.458 -3.955 302 HE2 PHE 48 2HE PHE 48 9.815 2.388 -1.072 303 HZ PHE 48 HZ PHE 48 9.858 1.563 -3.393 304 H ASP 49 H ASP 49 14.037 -0.211 3.178 305 HA ASP 49 HA ASP 49 16.396 -2.060 3.293 306 1HB ASP 49 2HB ASP 49 16.953 -1.067 5.383 307 2HB ASP 49 1HB ASP 49 16.548 0.279 4.309 308 H PHE 50 H PHE 50 13.481 -2.884 3.041 309 HA PHE 50 HA PHE 50 13.388 -4.495 5.569 310 1HB PHE 50 2HB PHE 50 10.910 -4.441 5.388 311 2HB PHE 50 1HB PHE 50 11.584 -2.821 5.574 312 HD1 PHE 50 1HD PHE 50 10.897 -1.153 4.112 313 HD2 PHE 50 2HD PHE 50 10.638 -5.250 2.857 314 HE1 PHE 50 1HE PHE 50 9.801 -0.455 1.998 315 HE2 PHE 50 2HE PHE 50 9.580 -4.560 0.754 316 HZ PHE 50 HZ PHE 50 9.144 -2.157 0.321 317 H SER 51 H SER 51 11.567 -6.355 5.004 318 HA SER 51 HA SER 51 11.708 -7.404 2.315 319 1HB SER 51 2HB SER 51 13.076 -9.517 3.537 320 2HB SER 51 1HB SER 51 13.785 -8.300 2.484 321 HG SER 51 HG SER 51 13.762 -8.384 5.295 322 H VAL 52 H VAL 52 9.498 -7.029 3.770 323 HA VAL 52 HA VAL 52 8.586 -8.834 5.637 324 HB VAL 52 HB VAL 52 7.190 -7.721 3.223 325 1HG1 VAL 52 1HG1 VAL 52 6.126 -9.540 5.348 326 2HG1 VAL 52 2HG1 VAL 52 5.914 -9.659 3.604 327 3HG1 VAL 52 3HG1 VAL 52 5.065 -8.416 4.505 328 1HG2 VAL 52 1HG2 VAL 52 6.064 -6.319 4.913 329 2HG2 VAL 52 2HG2 VAL 52 7.820 -6.133 4.987 330 3HG2 VAL 52 3HG2 VAL 52 6.988 -7.129 6.176 331 H SER 53 H SER 53 8.067 -9.438 2.124 332 HA SER 53 HA SER 53 9.063 -12.157 2.353 333 1HB SER 53 2HB SER 53 6.334 -11.711 3.061 334 2HB SER 53 1HB SER 53 6.335 -12.526 1.506 335 HG SER 53 HG SER 53 7.405 -13.392 3.934 336 H SER 54 H SER 54 8.027 -13.367 0.188 337 HA SER 54 HA SER 54 9.087 -11.757 -2.005 338 1HB SER 54 2HB SER 54 7.652 -14.186 -2.843 339 2HB SER 54 1HB SER 54 9.332 -13.726 -3.007 340 HG SER 54 HG SER 54 9.200 -15.509 -1.660 341 HA PRO 55 HA PRO 55 4.608 -12.043 -3.661 342 1HB PRO 55 2HB PRO 55 2.682 -13.019 -1.970 343 2HB PRO 55 1HB PRO 55 3.619 -14.013 -3.082 344 1HG PRO 55 2HG PRO 55 3.914 -13.749 -0.122 345 2HG PRO 55 1HG PRO 55 4.253 -15.136 -1.150 346 1HD PRO 55 2HD PRO 55 6.144 -13.390 -0.118 347 2HD PRO 55 1HD PRO 55 6.406 -14.514 -1.438 348 H TYR 56 H TYR 56 5.055 -9.798 -3.315 349 HA TYR 56 HA TYR 56 3.979 -8.514 -0.888 350 1HB TYR 56 2HB TYR 56 5.585 -7.659 -3.275 351 2HB TYR 56 1HB TYR 56 4.680 -6.422 -2.417 352 HD1 TYR 56 1HD TYR 56 4.837 -6.619 0.231 353 HD2 TYR 56 2HD TYR 56 7.759 -8.050 -2.549 354 HE1 TYR 56 1HE TYR 56 6.568 -6.478 1.979 355 HE2 TYR 56 2HE TYR 56 9.503 -7.903 -0.790 356 HH TYR 56 HH TYR 56 8.976 -6.276 2.197 357 H TYR 57 H TYR 57 2.679 -6.364 -1.469 358 HA TYR 57 HA TYR 57 0.856 -6.688 -3.717 359 1HB TYR 57 2HB TYR 57 -0.086 -6.982 -0.870 360 2HB TYR 57 1HB TYR 57 -1.194 -6.734 -2.245 361 HD1 TYR 57 1HD TYR 57 -1.605 -8.518 -3.825 362 HD2 TYR 57 2HD TYR 57 1.179 -9.026 -0.603 363 HE1 TYR 57 1HE TYR 57 -1.534 -10.950 -4.272 364 HE2 TYR 57 2HE TYR 57 1.224 -11.472 -1.030 365 HH TYR 57 HH TYR 57 0.547 -12.930 -3.562 366 H GLU 58 H GLU 58 0.242 -4.701 -4.419 367 HA GLU 58 HA GLU 58 0.865 -2.411 -2.600 368 1HB GLU 58 2HB GLU 58 0.156 -1.455 -5.192 369 2HB GLU 58 1HB GLU 58 1.713 -1.435 -4.386 370 1HG GLU 58 2HG GLU 58 1.899 -3.917 -5.216 371 2HG GLU 58 1HG GLU 58 0.656 -3.439 -6.343 372 H TRP 59 H TRP 59 -0.690 -1.025 -1.944 373 HA TRP 59 HA TRP 59 -3.344 -1.011 -3.177 374 1HB TRP 59 2HB TRP 59 -3.804 -2.826 -1.733 375 2HB TRP 59 1HB TRP 59 -2.818 -2.156 -0.425 376 HD1 TRP 59 HD TRP 59 -3.925 -0.516 1.208 377 HE1 TRP 59 1HE TRP 59 -6.323 0.344 1.542 378 HE3 TRP 59 3HE TRP 59 -6.060 -2.211 -3.116 379 HZ2 TRP 59 2HZ TRP 59 -8.819 0.300 0.127 380 HZ3 TRP 59 3HZ TRP 59 -8.438 -1.798 -3.564 381 HH2 TRP 59 HH TRP 59 -9.836 -0.541 -1.981 382 HA PRO 60 HA PRO 60 -2.615 3.165 -1.837 383 1HB PRO 60 2HB PRO 60 -5.127 4.167 -2.341 384 2HB PRO 60 1HB PRO 60 -3.904 3.858 -3.571 385 1HG PRO 60 2HG PRO 60 -6.300 2.220 -2.869 386 2HG PRO 60 1HG PRO 60 -5.570 2.451 -4.454 387 1HD PRO 60 2HD PRO 60 -5.267 0.228 -2.843 388 2HD PRO 60 1HD PRO 60 -4.155 0.654 -4.104 389 H ILE 61 H ILE 61 -2.741 4.240 0.061 390 HA ILE 61 HA ILE 61 -4.717 3.262 2.093 391 HB ILE 61 HB ILE 61 -2.651 2.762 3.017 392 1HG1 ILE 61 2HG1 ILE 61 -2.215 4.342 4.780 393 2HG1 ILE 61 1HG1 ILE 61 -2.850 5.668 3.847 394 1HG2 ILE 61 1HG2 ILE 61 -1.215 3.589 1.281 395 2HG2 ILE 61 2HG2 ILE 61 -0.658 4.306 2.777 396 3HG2 ILE 61 3HG2 ILE 61 -1.620 5.263 1.651 397 1HD1 ILE 61 1HD1 ILE 61 -4.840 5.295 4.750 398 2HD1 ILE 61 2HD1 ILE 61 -4.228 3.921 5.598 399 3HD1 ILE 61 3HD1 ILE 61 -4.915 3.721 4.019 400 H LEU 62 H LEU 62 -6.144 4.773 2.915 401 HA LEU 62 HA LEU 62 -5.539 7.672 2.446 402 1HB LEU 62 2HB LEU 62 -8.400 6.873 2.384 403 2HB LEU 62 1HB LEU 62 -7.518 8.026 1.374 404 HG LEU 62 HG LEU 62 -7.352 5.000 1.070 405 1HD1 LEU 62 1HD1 LEU 62 -8.605 5.431 -1.012 406 2HD1 LEU 62 2HD1 LEU 62 -8.857 7.094 -0.509 407 3HD1 LEU 62 3HD1 LEU 62 -9.550 5.770 0.432 408 1HD2 LEU 62 1HD2 LEU 62 -6.542 6.530 -1.214 409 2HD2 LEU 62 2HD2 LEU 62 -5.595 5.413 -0.268 410 3HD2 LEU 62 3HD2 LEU 62 -5.637 7.124 0.164 411 H SER 63 H SER 63 -6.671 9.095 3.973 412 HA SER 63 HA SER 63 -7.446 7.679 6.509 413 1HB SER 63 2HB SER 63 -6.423 9.510 7.753 414 2HB SER 63 1HB SER 63 -5.220 8.819 6.669 415 HG SER 63 HG SER 63 -6.536 11.290 6.538 416 H SER 64 H SER 64 -9.055 8.709 4.211 417 HA SER 64 HA SER 64 -10.989 10.233 5.828 418 1HB SER 64 2HB SER 64 -9.255 11.479 3.803 419 2HB SER 64 1HB SER 64 -10.969 11.729 3.463 420 HG SER 64 HG SER 64 -11.222 12.742 5.380 421 H GLY 65 H GLY 65 -10.140 8.800 2.671 422 1HA GLY 65 2HA GLY 65 -12.991 8.500 1.964 423 2HA GLY 65 1HA GLY 65 -11.602 8.032 0.988 424 H ASP 66 H ASP 66 -10.662 6.761 3.777 425 HA ASP 66 HA ASP 66 -10.553 4.565 4.499 426 1HB ASP 66 2HB ASP 66 -12.678 5.341 5.542 427 2HB ASP 66 1HB ASP 66 -13.572 4.776 4.126 428 H VAL 67 H VAL 67 -9.524 3.443 2.803 429 HA VAL 67 HA VAL 67 -9.422 1.749 1.225 430 HB VAL 67 HB VAL 67 -12.447 1.792 0.968 431 1HG1 VAL 67 1HG1 VAL 67 -12.171 -0.493 0.374 432 2HG1 VAL 67 2HG1 VAL 67 -10.485 -0.493 0.846 433 3HG1 VAL 67 3HG1 VAL 67 -11.001 0.414 -0.572 434 1HG2 VAL 67 1HG2 VAL 67 -11.861 -0.181 2.805 435 2HG2 VAL 67 2HG2 VAL 67 -12.549 1.376 3.178 436 3HG2 VAL 67 3HG2 VAL 67 -10.809 1.120 3.341 437 H TYR 68 H TYR 68 -9.037 2.003 -0.985 438 HA TYR 68 HA TYR 68 -9.886 4.505 -2.213 439 1HB TYR 68 2HB TYR 68 -7.604 3.623 -2.540 440 2HB TYR 68 1HB TYR 68 -8.267 2.204 -3.377 441 HD1 TYR 68 1HD TYR 68 -7.422 5.739 -3.636 442 HD2 TYR 68 2HD TYR 68 -9.492 2.484 -5.529 443 HE1 TYR 68 1HE TYR 68 -7.487 7.016 -5.762 444 HE2 TYR 68 2HE TYR 68 -9.563 3.760 -7.650 445 HH TYR 68 HH TYR 68 -8.170 5.664 -8.737 446 H SER 69 H SER 69 -11.124 4.670 -4.126 447 HA SER 69 HA SER 69 -12.339 2.340 -5.380 448 1HB SER 69 2HB SER 69 -13.608 2.716 -3.130 449 2HB SER 69 1HB SER 69 -14.311 4.126 -3.927 450 HG SER 69 HG SER 69 -14.564 1.393 -4.578 451 H GLY 70 H GLY 70 -12.600 5.850 -4.775 452 1HA GLY 70 2HA GLY 70 -12.535 6.338 -7.682 453 2HA GLY 70 1HA GLY 70 -14.045 6.786 -6.883 454 H GLY 71 H GLY 71 -11.252 8.107 -7.920 455 1HA GLY 71 2HA GLY 71 -11.460 10.630 -6.964 456 2HA GLY 71 1HA GLY 71 -10.720 9.841 -5.570 457 H SER 72 H SER 72 -8.697 10.854 -5.717 458 HA SER 72 HA SER 72 -7.203 10.483 -8.272 459 1HB SER 72 2HB SER 72 -7.514 12.758 -6.903 460 2HB SER 72 1HB SER 72 -6.060 12.168 -6.098 461 HG SER 72 HG SER 72 -6.468 12.805 -8.812 462 HA PRO 73 HA PRO 73 -5.133 7.316 -5.724 463 1HB PRO 73 2HB PRO 73 -4.086 5.985 -7.878 464 2HB PRO 73 1HB PRO 73 -5.736 5.770 -7.286 465 1HG PRO 73 2HG PRO 73 -4.789 7.248 -9.710 466 2HG PRO 73 1HG PRO 73 -6.326 6.413 -9.446 467 1HD PRO 73 2HD PRO 73 -5.907 9.200 -9.287 468 2HD PRO 73 1HD PRO 73 -7.320 8.324 -8.680 469 H GLY 74 H GLY 74 -2.698 6.409 -6.133 470 1HA GLY 74 2HA GLY 74 -0.426 6.956 -6.641 471 2HA GLY 74 1HA GLY 74 -0.905 8.589 -7.097 472 H ALA 75 H ALA 75 1.098 8.905 -5.555 473 HA ALA 75 HA ALA 75 1.795 9.883 -3.563 474 1HB ALA 75 1HB ALA 75 0.207 10.895 -2.196 475 2HB ALA 75 2HB ALA 75 -1.003 9.637 -2.439 476 3HB ALA 75 3HB ALA 75 -0.648 10.786 -3.725 477 H ASP 76 H ASP 76 0.420 9.151 -0.942 478 HA ASP 76 HA ASP 76 2.052 7.166 -0.016 479 1HB ASP 76 2HB ASP 76 -0.829 7.760 0.736 480 2HB ASP 76 1HB ASP 76 0.198 6.668 1.676 481 H ARG 77 H ARG 77 1.875 4.911 0.328 482 HA ARG 77 HA ARG 77 -0.281 3.331 -0.817 483 1HB ARG 77 2HB ARG 77 0.954 3.915 -2.896 484 2HB ARG 77 1HB ARG 77 2.431 3.268 -2.201 485 1HG ARG 77 2HG ARG 77 1.908 1.211 -2.860 486 2HG ARG 77 1HG ARG 77 0.424 1.242 -1.909 487 1HD ARG 77 2HD ARG 77 -0.578 1.028 -3.909 488 2HD ARG 77 1HD ARG 77 -0.360 2.778 -4.017 489 HE ARG 77 HE ARG 77 1.619 0.858 -4.955 490 1HH1 ARG 77 1HH2 ARG 77 -0.282 -0.013 -6.448 491 2HH1 ARG 77 2HH2 ARG 77 -0.506 0.984 -7.835 492 1HH2 ARG 77 1HH1 ARG 77 1.218 3.667 -6.496 493 2HH2 ARG 77 2HH1 ARG 77 0.359 3.079 -7.876 494 H VAL 78 H VAL 78 -0.369 1.861 0.845 495 HA VAL 78 HA VAL 78 2.139 1.077 2.212 496 HB VAL 78 HB VAL 78 0.146 1.698 3.552 497 1HG1 VAL 78 1HG1 VAL 78 -1.812 0.388 3.554 498 2HG1 VAL 78 2HG1 VAL 78 -1.076 -0.918 2.644 499 3HG1 VAL 78 3HG1 VAL 78 -1.473 0.598 1.847 500 1HG2 VAL 78 1HG2 VAL 78 1.902 0.122 4.374 501 2HG2 VAL 78 2HG2 VAL 78 0.892 -1.232 3.864 502 3HG2 VAL 78 3HG2 VAL 78 0.322 -0.101 5.092 503 H VAL 79 H VAL 79 3.148 -0.829 1.835 504 HA VAL 79 HA VAL 79 1.808 -2.799 0.042 505 HB VAL 79 HB VAL 79 4.689 -2.384 0.850 506 1HG1 VAL 79 1HG1 VAL 79 5.183 -4.253 -0.731 507 2HG1 VAL 79 2HG1 VAL 79 3.463 -4.571 -0.851 508 3HG1 VAL 79 3HG1 VAL 79 4.301 -4.791 0.670 509 1HG2 VAL 79 1HG2 VAL 79 5.011 -1.915 -1.512 510 2HG2 VAL 79 2HG2 VAL 79 3.739 -0.874 -0.859 511 3HG2 VAL 79 3HG2 VAL 79 3.313 -2.270 -1.842 512 H PHE 80 H PHE 80 2.245 -5.132 0.585 513 HA PHE 80 HA PHE 80 2.809 -5.794 3.345 514 1HB PHE 80 2HB PHE 80 0.482 -6.489 3.872 515 2HB PHE 80 1HB PHE 80 0.588 -4.768 3.552 516 HD1 PHE 80 1HD PHE 80 0.235 -4.044 1.009 517 HD2 PHE 80 2HD PHE 80 -1.161 -7.701 2.767 518 HE1 PHE 80 1HE PHE 80 -1.404 -4.263 -0.800 519 HE2 PHE 80 2HE PHE 80 -2.832 -7.915 0.952 520 HZ PHE 80 HZ PHE 80 -2.961 -6.194 -0.830 521 H ASN 81 H ASN 81 1.596 -8.225 3.567 522 HA ASN 81 HA ASN 81 2.269 -9.649 1.021 523 1HB ASN 81 2HB ASN 81 3.836 -9.705 3.273 524 2HB ASN 81 1HB ASN 81 2.847 -11.125 3.530 525 1HD2 ASN 81 1HD2 ASN 81 5.266 -9.673 1.437 526 2HD2 ASN 81 2HD2 ASN 81 5.517 -11.076 0.466 527 H GLU 82 H GLU 82 0.557 -9.806 4.112 528 HA GLU 82 HA GLU 82 -1.848 -10.653 3.152 529 1HB GLU 82 2HB GLU 82 -1.735 -13.189 3.674 530 2HB GLU 82 1HB GLU 82 -0.997 -12.648 2.174 531 1HG GLU 82 2HG GLU 82 1.213 -12.461 3.568 532 2HG GLU 82 1HG GLU 82 0.334 -13.383 4.774 533 H ASN 83 H ASN 83 0.582 -10.922 5.626 534 HA ASN 83 HA ASN 83 -1.503 -11.275 7.696 535 1HB ASN 83 2HB ASN 83 1.232 -12.166 7.416 536 2HB ASN 83 1HB ASN 83 1.145 -11.133 8.839 537 1HD2 ASN 83 1HD2 ASN 83 -1.624 -11.764 9.547 538 2HD2 ASN 83 2HD2 ASN 83 -1.598 -13.405 10.058 539 H ASN 84 H ASN 84 -1.009 -8.776 6.120 540 HA ASN 84 HA ASN 84 -0.728 -6.528 6.444 541 1HB ASN 84 2HB ASN 84 -1.914 -5.631 8.317 542 2HB ASN 84 1HB ASN 84 -2.731 -7.148 7.926 543 1HD2 ASN 84 1HD2 ASN 84 -3.206 -8.288 9.776 544 2HD2 ASN 84 2HD2 ASN 84 -2.205 -8.331 11.184 545 H GLN 85 H GLN 85 1.560 -8.304 7.121 546 HA GLN 85 HA GLN 85 2.952 -7.418 9.429 547 1HB GLN 85 2HB GLN 85 4.525 -7.877 6.900 548 2HB GLN 85 1HB GLN 85 4.820 -8.461 8.547 549 1HG GLN 85 2HG GLN 85 2.620 -9.849 8.143 550 2HG GLN 85 1HG GLN 85 2.992 -9.554 6.433 551 1HE2 GLN 85 1HE2 GLN 85 4.381 -11.029 5.519 552 2HE2 GLN 85 2HE2 GLN 85 5.452 -12.044 6.419 553 H LEU 86 H LEU 86 2.582 -6.047 6.194 554 HA LEU 86 HA LEU 86 2.692 -3.838 5.580 555 1HB LEU 86 2HB LEU 86 2.536 -3.479 8.256 556 2HB LEU 86 1HB LEU 86 4.208 -2.950 8.032 557 HG LEU 86 HG LEU 86 2.873 -0.996 7.794 558 1HD1 LEU 86 1HD1 LEU 86 4.631 -1.456 6.009 559 2HD1 LEU 86 2HD1 LEU 86 3.403 -0.284 5.610 560 3HD1 LEU 86 3HD1 LEU 86 3.300 -1.901 4.929 561 1HD2 LEU 86 1HD2 LEU 86 0.845 -0.880 6.673 562 2HD2 LEU 86 2HD2 LEU 86 0.774 -2.487 7.355 563 3HD2 LEU 86 3HD2 LEU 86 1.197 -2.283 5.660 564 H ALA 87 H ALA 87 4.143 -3.946 3.940 565 HA ALA 87 HA ALA 87 6.980 -4.507 4.358 566 1HB ALA 87 1HB ALA 87 5.462 -4.951 2.253 567 2HB ALA 87 2HB ALA 87 7.166 -4.511 2.054 568 3HB ALA 87 3HB ALA 87 5.922 -3.311 1.845 569 H GLY 88 H GLY 88 4.962 -1.694 3.830 570 1HA GLY 88 2HA GLY 88 6.284 0.223 5.182 571 2HA GLY 88 1HA GLY 88 7.308 0.099 3.748 572 H VAL 89 H VAL 89 5.644 2.380 4.574 573 HA VAL 89 HA VAL 89 3.431 2.384 2.605 574 HB VAL 89 HB VAL 89 4.405 4.476 4.543 575 1HG1 VAL 89 1HG1 VAL 89 2.139 4.456 2.548 576 2HG1 VAL 89 2HG1 VAL 89 3.382 5.686 2.774 577 3HG1 VAL 89 3HG1 VAL 89 2.116 5.496 3.971 578 1HG2 VAL 89 1HG2 VAL 89 2.218 3.899 5.663 579 2HG2 VAL 89 2HG2 VAL 89 3.360 2.562 5.629 580 3HG2 VAL 89 3HG2 VAL 89 2.031 2.601 4.512 581 H ILE 90 H ILE 90 4.659 2.254 0.658 582 HA ILE 90 HA ILE 90 6.686 4.278 0.047 583 HB ILE 90 HB ILE 90 6.665 3.271 -2.184 584 1HG1 ILE 90 2HG1 ILE 90 4.121 2.041 -1.156 585 2HG1 ILE 90 1HG1 ILE 90 4.467 2.687 -2.739 586 1HG2 ILE 90 1HG2 ILE 90 6.518 1.109 -0.083 587 2HG2 ILE 90 2HG2 ILE 90 7.862 2.235 -0.221 588 3HG2 ILE 90 3HG2 ILE 90 7.521 1.128 -1.539 589 1HD1 ILE 90 1HD1 ILE 90 5.431 0.085 -1.595 590 2HD1 ILE 90 2HD1 ILE 90 5.945 0.693 -3.133 591 3HD1 ILE 90 3HD1 ILE 90 4.259 0.292 -2.874 592 H THR 91 H THR 91 6.382 5.896 -1.710 593 HA THR 91 HA THR 91 3.521 6.723 -1.926 594 HB THR 91 HB THR 91 4.827 8.215 -0.546 595 HG1 THR 91 1HG THR 91 3.367 9.434 -1.550 596 1HG2 THR 91 1HG2 THR 91 7.047 7.860 -1.414 597 2HG2 THR 91 2HG2 THR 91 6.650 9.561 -1.592 598 3HG2 THR 91 3HG2 THR 91 6.581 8.503 -2.989 599 H HIS 92 H HIS 92 3.140 8.163 -3.877 600 HA HIS 92 HA HIS 92 4.717 7.225 -6.194 601 1HB HIS 92 2HB HIS 92 1.849 7.104 -5.634 602 2HB HIS 92 1HB HIS 92 2.158 7.899 -7.177 603 HD1 HIS 92 1HD HIS 92 1.631 6.107 -8.814 604 HD2 HIS 92 2HD HIS 92 4.061 4.728 -5.716 605 HE1 HIS 92 1HE HIS 92 2.277 3.741 -9.414 606 HE2 HIS 92 2HE HIS 92 4.113 3.254 -7.829 607 H THR 93 H THR 93 5.897 9.298 -5.507 608 HA THR 93 HA THR 93 5.239 11.380 -7.368 609 HB THR 93 HB THR 93 4.373 11.800 -4.492 610 HG1 THR 93 1HG THR 93 2.470 12.274 -5.459 611 1HG2 THR 93 1HG2 THR 93 5.293 13.856 -6.507 612 2HG2 THR 93 2HG2 THR 93 5.671 13.735 -4.784 613 3HG2 THR 93 3HG2 THR 93 4.068 14.235 -5.300 614 H GLY 94 H GLY 94 6.990 10.398 -4.442 615 1HA GLY 94 2HA GLY 94 9.001 12.521 -4.769 616 2HA GLY 94 1HA GLY 94 9.001 11.239 -3.562 617 H ALA 95 H ALA 95 8.481 10.133 -6.787 618 HA ALA 95 HA ALA 95 11.343 9.727 -7.330 619 1HB ALA 95 1HB ALA 95 10.864 7.194 -7.568 620 2HB ALA 95 2HB ALA 95 9.448 7.500 -6.554 621 3HB ALA 95 3HB ALA 95 11.062 7.864 -5.960 622 H SER 96 H SER 96 11.505 10.093 -9.517 623 HA SER 96 HA SER 96 10.734 10.439 -11.717 624 1HB SER 96 2HB SER 96 9.478 7.724 -11.716 625 2HB SER 96 1HB SER 96 10.736 8.399 -12.763 626 HG SER 96 HG SER 96 11.449 6.730 -11.287 627 H GLY 97 H GLY 97 8.464 9.139 -12.985 628 1HA GLY 97 2HA GLY 97 6.419 10.947 -12.718 629 2HA GLY 97 1HA GLY 97 6.119 9.251 -13.110 630 H ASN 98 H ASN 98 6.447 7.814 -10.977 631 HA ASN 98 HA ASN 98 5.671 9.051 -8.472 632 1HB ASN 98 2HB ASN 98 3.461 7.323 -8.890 633 2HB ASN 98 1HB ASN 98 3.420 9.046 -8.736 634 1HD2 ASN 98 1HD2 ASN 98 4.370 6.708 -11.278 635 2HD2 ASN 98 2HD2 ASN 98 3.499 7.547 -12.513 636 H ASN 99 H ASN 99 7.658 7.137 -9.506 637 HA ASN 99 HA ASN 99 7.114 4.461 -8.987 638 1HB ASN 99 2HB ASN 99 9.418 5.938 -9.450 639 2HB ASN 99 1HB ASN 99 9.689 5.362 -7.803 640 1HD2 ASN 99 1HD2 ASN 99 10.020 3.108 -7.491 641 2HD2 ASN 99 2HD2 ASN 99 10.154 2.016 -8.822 642 H PHE 100 H PHE 100 8.048 3.284 -6.892 643 HA PHE 100 HA PHE 100 6.684 4.565 -4.583 644 1HB PHE 100 2HB PHE 100 7.592 1.780 -4.194 645 2HB PHE 100 1HB PHE 100 6.052 2.563 -3.946 646 HD1 PHE 100 1HD PHE 100 8.160 1.037 -6.539 647 HD2 PHE 100 2HD PHE 100 4.252 2.446 -5.446 648 HE1 PHE 100 1HE PHE 100 7.211 -0.006 -8.580 649 HE2 PHE 100 2HE PHE 100 3.300 1.380 -7.485 650 HZ PHE 100 HZ PHE 100 4.785 0.178 -9.055 651 H VAL 101 H VAL 101 7.775 4.923 -2.648 652 HA VAL 101 HA VAL 101 10.527 3.977 -2.284 653 HB VAL 101 HB VAL 101 11.560 6.149 -2.182 654 1HG1 VAL 101 1HG1 VAL 101 9.872 6.138 -4.713 655 2HG1 VAL 101 2HG1 VAL 101 11.239 5.050 -4.447 656 3HG1 VAL 101 3HG1 VAL 101 11.491 6.767 -4.467 657 1HG2 VAL 101 1HG2 VAL 101 10.140 8.164 -2.896 658 2HG2 VAL 101 2HG2 VAL 101 9.850 7.540 -1.283 659 3HG2 VAL 101 3HG2 VAL 101 8.731 7.152 -2.592 660 H GLU 102 H GLU 102 10.949 3.839 -0.091 661 HA GLU 102 HA GLU 102 8.920 3.999 1.818 662 1HB GLU 102 2HB GLU 102 10.865 4.290 3.515 663 2HB GLU 102 1HB GLU 102 10.862 2.865 2.490 664 1HG GLU 102 2HG GLU 102 12.840 3.388 1.633 665 2HG GLU 102 1HG GLU 102 12.223 4.919 1.014 666 H CYS 103 H CYS 103 7.691 5.899 1.737 667 HA CYS 103 HA CYS 103 8.583 8.520 1.480 668 1HB CYS 103 2HB CYS 103 6.153 7.227 2.337 669 2HB CYS 103 1HB CYS 103 6.490 8.526 3.487 670 H THR 104 H THR 104 9.847 9.836 2.726 671 HA THR 104 HA THR 104 10.117 9.176 5.645 672 HB THR 104 HB THR 104 12.158 8.343 4.740 673 HG1 THR 104 1HG THR 104 12.748 9.664 6.392 674 1HG2 THR 104 1HG2 THR 104 11.993 9.109 2.472 675 2HG2 THR 104 2HG2 THR 104 13.499 9.735 3.130 676 3HG2 THR 104 3HG2 THR 104 12.109 10.801 2.964
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