NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
16665 | 2aje | 6727 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H GLN 9 H GLN 9 -30.616 3.460 -0.807 2 HA GLN 9 HA GLN 9 -29.934 1.366 -2.704 3 1HB GLN 9 2HB GLN 9 -28.727 4.105 -2.277 4 2HB GLN 9 1HB GLN 9 -28.318 3.006 -3.587 5 1HG GLN 9 2HG GLN 9 -30.606 3.143 -4.423 6 2HG GLN 9 1HG GLN 9 -31.023 4.235 -3.104 7 1HE2 GLN 9 1HE2 GLN 9 -27.955 4.325 -4.764 8 2HE2 GLN 9 2HE2 GLN 9 -28.208 5.837 -5.561 9 H ARG 10 H ARG 10 -28.676 2.845 0.211 10 HA ARG 10 HA ARG 10 -26.961 2.310 1.604 11 1HB ARG 10 2HB ARG 10 -27.199 -0.384 0.252 12 2HB ARG 10 1HB ARG 10 -26.318 -0.069 1.742 13 1HG ARG 10 2HG ARG 10 -28.400 0.587 2.837 14 2HG ARG 10 1HG ARG 10 -29.284 0.273 1.343 15 1HD ARG 10 2HD ARG 10 -28.598 -2.074 1.434 16 2HD ARG 10 1HD ARG 10 -27.711 -1.759 2.925 17 HE ARG 10 HE ARG 10 -30.368 -0.959 3.287 18 1HH1 ARG 10 1HH1 ARG 10 -28.512 -3.871 2.821 19 2HH1 ARG 10 2HH1 ARG 10 -29.622 -4.872 3.697 20 1HH2 ARG 10 1HH2 ARG 10 -31.833 -2.268 4.442 21 2HH2 ARG 10 2HH2 ARG 10 -31.510 -3.960 4.619 22 H ARG 11 H ARG 11 -26.479 3.141 -1.301 23 HA ARG 11 HA ARG 11 -23.977 1.975 -2.038 24 1HB ARG 11 2HB ARG 11 -25.501 2.961 -3.698 25 2HB ARG 11 1HB ARG 11 -25.273 4.544 -2.969 26 1HG ARG 11 2HG ARG 11 -22.894 4.461 -3.554 27 2HG ARG 11 1HG ARG 11 -23.146 2.887 -4.311 28 1HD ARG 11 2HD ARG 11 -23.132 4.661 -5.980 29 2HD ARG 11 1HD ARG 11 -24.718 3.895 -5.888 30 HE ARG 11 HE ARG 11 -24.794 6.082 -4.192 31 1HH1 ARG 11 1HH1 ARG 11 -24.332 5.483 -7.594 32 2HH1 ARG 11 2HH1 ARG 11 -25.008 7.000 -8.084 33 1HH2 ARG 11 1HH2 ARG 11 -25.684 8.082 -4.829 34 2HH2 ARG 11 2HH2 ARG 11 -25.775 8.478 -6.513 35 H ILE 12 H ILE 12 -22.017 2.442 -1.301 36 HA ILE 12 HA ILE 12 -21.683 4.797 0.413 37 HB ILE 12 HB ILE 12 -19.849 2.420 0.080 38 1HG1 ILE 12 2HG1 ILE 12 -21.988 1.769 1.086 39 2HG1 ILE 12 1HG1 ILE 12 -20.692 1.699 2.274 40 1HG2 ILE 12 1HG2 ILE 12 -18.655 4.402 0.792 41 2HG2 ILE 12 2HG2 ILE 12 -18.780 3.261 2.131 42 3HG2 ILE 12 3HG2 ILE 12 -19.830 4.677 2.080 43 1HD1 ILE 12 1HD1 ILE 12 -22.713 2.634 3.232 44 2HD1 ILE 12 2HD1 ILE 12 -22.727 3.901 2.005 45 3HD1 ILE 12 3HD1 ILE 12 -21.426 3.839 3.194 46 H ARG 13 H ARG 13 -20.442 6.475 -0.160 47 HA ARG 13 HA ARG 13 -19.474 6.718 -2.809 48 1HB ARG 13 2HB ARG 13 -20.243 8.643 -1.486 49 2HB ARG 13 1HB ARG 13 -18.887 8.431 -0.387 50 1HG ARG 13 2HG ARG 13 -17.334 8.899 -2.221 51 2HG ARG 13 1HG ARG 13 -18.704 9.133 -3.310 52 1HD ARG 13 2HD ARG 13 -18.104 10.753 -0.837 53 2HD ARG 13 1HD ARG 13 -17.832 11.268 -2.501 54 HE ARG 13 HE ARG 13 -20.524 10.557 -2.227 55 1HH1 ARG 13 1HH1 ARG 13 -18.300 12.992 -1.101 56 2HH1 ARG 13 2HH1 ARG 13 -19.521 14.207 -0.920 57 1HH2 ARG 13 1HH2 ARG 13 -22.137 12.151 -1.993 58 2HH2 ARG 13 2HH2 ARG 13 -21.702 13.728 -1.427 59 H ARG 14 H ARG 14 -17.858 5.418 -3.451 60 HA ARG 14 HA ARG 14 -15.301 5.662 -2.041 61 1HB ARG 14 2HB ARG 14 -16.521 3.045 -2.936 62 2HB ARG 14 1HB ARG 14 -14.877 3.239 -2.343 63 1HG ARG 14 2HG ARG 14 -15.739 3.972 -0.180 64 2HG ARG 14 1HG ARG 14 -17.390 3.783 -0.774 65 1HD ARG 14 2HD ARG 14 -16.712 1.857 0.559 66 2HD ARG 14 1HD ARG 14 -16.997 1.398 -1.119 67 HE ARG 14 HE ARG 14 -14.280 1.979 -0.823 68 1HH1 ARG 14 1HH1 ARG 14 -16.612 -0.376 0.255 69 2HH1 ARG 14 2HH1 ARG 14 -15.447 -1.648 0.414 70 1HH2 ARG 14 1HH2 ARG 14 -12.740 0.310 -0.618 71 2HH2 ARG 14 2HH2 ARG 14 -13.246 -1.257 -0.081 72 HA PRO 15 HA PRO 15 -14.723 6.329 -6.557 73 1HB PRO 15 2HB PRO 15 -12.849 8.260 -6.319 74 2HB PRO 15 1HB PRO 15 -14.579 8.600 -6.189 75 1HG PRO 15 2HG PRO 15 -12.550 8.238 -4.017 76 2HG PRO 15 1HG PRO 15 -13.839 9.448 -4.152 77 1HD PRO 15 2HD PRO 15 -14.060 7.221 -2.611 78 2HD PRO 15 1HD PRO 15 -15.452 7.999 -3.387 79 H PHE 16 H PHE 16 -12.376 5.897 -3.968 80 HA PHE 16 HA PHE 16 -10.691 4.368 -5.834 81 1HB PHE 16 2HB PHE 16 -9.816 6.329 -3.715 82 2HB PHE 16 1HB PHE 16 -8.725 5.140 -4.418 83 HD1 PHE 16 HD1 PHE 16 -10.818 8.087 -5.161 84 HD2 PHE 16 HD2 PHE 16 -7.765 5.464 -6.546 85 HE1 PHE 16 HE1 PHE 16 -10.349 9.623 -7.025 86 HE2 PHE 16 HE2 PHE 16 -7.290 6.998 -8.412 87 HZ PHE 16 HZ PHE 16 -8.582 9.081 -8.652 88 H SER 17 H SER 17 -9.176 2.870 -4.651 89 HA SER 17 HA SER 17 -9.897 2.019 -2.011 90 1HB SER 17 2HB SER 17 -10.677 -0.236 -2.646 91 2HB SER 17 1HB SER 17 -11.756 1.017 -3.259 92 HG SER 17 HG SER 17 -9.705 -0.256 -4.755 93 H VAL 18 H VAL 18 -8.811 -0.313 -1.686 94 HA VAL 18 HA VAL 18 -6.077 0.032 -1.825 95 HB VAL 18 HB VAL 18 -7.135 -1.604 -0.342 96 1HG1 VAL 18 1HG1 VAL 18 -8.834 -2.461 -1.856 97 2HG1 VAL 18 2HG1 VAL 18 -7.591 -3.219 -2.850 98 3HG1 VAL 18 3HG1 VAL 18 -7.865 -3.781 -1.202 99 1HG2 VAL 18 1HG2 VAL 18 -5.500 -3.414 -0.597 100 2HG2 VAL 18 2HG2 VAL 18 -5.123 -2.843 -2.221 101 3HG2 VAL 18 3HG2 VAL 18 -4.757 -1.831 -0.822 102 H ALA 19 H ALA 19 -8.246 -1.375 -4.189 103 HA ALA 19 HA ALA 19 -6.411 -2.665 -5.844 104 1HB ALA 19 1HB ALA 19 -8.077 -2.635 -7.519 105 2HB ALA 19 2HB ALA 19 -8.940 -2.713 -5.983 106 3HB ALA 19 3HB ALA 19 -8.827 -1.184 -6.852 107 H GLU 20 H GLU 20 -7.618 0.671 -5.976 108 HA GLU 20 HA GLU 20 -5.999 1.481 -8.148 109 1HB GLU 20 2HB GLU 20 -7.415 3.021 -5.975 110 2HB GLU 20 1HB GLU 20 -6.502 3.815 -7.249 111 1HG GLU 20 2HG GLU 20 -8.835 3.804 -7.813 112 2HG GLU 20 1HG GLU 20 -7.956 2.755 -8.924 113 H VAL 21 H VAL 21 -5.545 1.437 -4.671 114 HA VAL 21 HA VAL 21 -3.289 3.035 -4.427 115 HB VAL 21 HB VAL 21 -3.942 0.526 -2.870 116 1HG1 VAL 21 1HG1 VAL 21 -1.611 1.138 -2.585 117 2HG1 VAL 21 2HG1 VAL 21 -2.071 2.800 -2.215 118 3HG1 VAL 21 3HG1 VAL 21 -2.518 1.496 -1.114 119 1HG2 VAL 21 1HG2 VAL 21 -4.557 3.420 -2.279 120 2HG2 VAL 21 2HG2 VAL 21 -5.721 2.202 -2.793 121 3HG2 VAL 21 3HG2 VAL 21 -4.919 2.050 -1.231 122 H GLU 22 H GLU 22 -3.611 -0.294 -5.509 123 HA GLU 22 HA GLU 22 -1.024 -1.214 -5.398 124 1HB GLU 22 2HB GLU 22 -2.967 -2.524 -6.214 125 2HB GLU 22 1HB GLU 22 -2.938 -1.602 -7.708 126 1HG GLU 22 2HG GLU 22 -0.708 -2.462 -8.201 127 2HG GLU 22 1HG GLU 22 -0.736 -3.389 -6.701 128 H ALA 23 H ALA 23 -2.472 0.469 -8.189 129 HA ALA 23 HA ALA 23 -0.123 0.800 -9.655 130 1HB ALA 23 1HB ALA 23 -2.259 1.187 -10.684 131 2HB ALA 23 2HB ALA 23 -2.608 2.510 -9.570 132 3HB ALA 23 3HB ALA 23 -1.325 2.681 -10.767 133 H LEU 24 H LEU 24 -1.602 2.816 -7.164 134 HA LEU 24 HA LEU 24 0.133 5.004 -7.315 135 1HB LEU 24 2HB LEU 24 -1.984 4.971 -6.034 136 2HB LEU 24 1HB LEU 24 -1.245 3.891 -4.867 137 HG LEU 24 HG LEU 24 0.388 5.659 -4.293 138 1HD1 LEU 24 1HD1 LEU 24 0.399 6.866 -6.405 139 2HD1 LEU 24 2HD1 LEU 24 -0.004 7.946 -5.070 140 3HD1 LEU 24 3HD1 LEU 24 -1.275 7.361 -6.145 141 1HD2 LEU 24 1HD2 LEU 24 -1.182 7.093 -3.085 142 2HD2 LEU 24 2HD2 LEU 24 -1.649 5.395 -2.982 143 3HD2 LEU 24 3HD2 LEU 24 -2.506 6.480 -4.076 144 H VAL 25 H VAL 25 0.501 1.848 -5.878 145 HA VAL 25 HA VAL 25 2.763 2.456 -4.260 146 HB VAL 25 HB VAL 25 1.823 -0.190 -5.382 147 1HG1 VAL 25 1HG1 VAL 25 3.281 -1.195 -3.638 148 2HG1 VAL 25 2HG1 VAL 25 4.171 -0.366 -4.915 149 3HG1 VAL 25 3HG1 VAL 25 3.961 0.406 -3.344 150 1HG2 VAL 25 1HG2 VAL 25 1.382 1.226 -2.773 151 2HG2 VAL 25 2HG2 VAL 25 0.186 0.564 -3.885 152 3HG2 VAL 25 3HG2 VAL 25 1.192 -0.522 -2.927 153 H GLN 26 H GLN 26 2.331 1.179 -7.529 154 HA GLN 26 HA GLN 26 5.068 0.717 -8.061 155 1HB GLN 26 2HB GLN 26 3.233 -0.276 -9.382 156 2HB GLN 26 1HB GLN 26 2.830 1.318 -10.006 157 1HG GLN 26 2HG GLN 26 5.025 1.455 -11.071 158 2HG GLN 26 1HG GLN 26 5.423 -0.146 -10.450 159 1HE2 GLN 26 1HE2 GLN 26 2.245 0.729 -11.599 160 2HE2 GLN 26 2HE2 GLN 26 2.272 -0.256 -13.018 161 H ALA 27 H ALA 27 3.154 3.566 -7.972 162 HA ALA 27 HA ALA 27 4.996 5.133 -9.575 163 1HB ALA 27 1HB ALA 27 3.471 6.981 -9.182 164 2HB ALA 27 2HB ALA 27 2.589 5.553 -9.722 165 3HB ALA 27 3HB ALA 27 2.569 6.009 -8.019 166 H VAL 28 H VAL 28 4.146 4.738 -6.169 167 HA VAL 28 HA VAL 28 5.899 6.895 -5.351 168 HB VAL 28 HB VAL 28 5.224 6.360 -3.070 169 1HG1 VAL 28 1HG1 VAL 28 2.816 6.829 -3.302 170 2HG1 VAL 28 2HG1 VAL 28 3.807 7.840 -4.355 171 3HG1 VAL 28 3HG1 VAL 28 2.930 6.462 -5.023 172 1HG2 VAL 28 1HG2 VAL 28 3.521 4.603 -2.676 173 2HG2 VAL 28 2HG2 VAL 28 3.747 4.058 -4.337 174 3HG2 VAL 28 3HG2 VAL 28 5.081 3.960 -3.188 175 H GLU 29 H GLU 29 6.214 3.517 -5.866 176 HA GLU 29 HA GLU 29 8.089 2.818 -3.924 177 1HB GLU 29 2HB GLU 29 8.866 1.107 -5.631 178 2HB GLU 29 1HB GLU 29 7.167 1.059 -5.186 179 1HG GLU 29 2HG GLU 29 6.483 1.947 -7.219 180 2HG GLU 29 1HG GLU 29 8.087 2.564 -7.602 181 H LYS 30 H LYS 30 8.438 5.103 -6.370 182 HA LYS 30 HA LYS 30 11.362 4.803 -6.397 183 1HB LYS 30 2HB LYS 30 11.293 6.341 -8.354 184 2HB LYS 30 1HB LYS 30 10.437 4.828 -8.611 185 1HG LYS 30 2HG LYS 30 8.319 5.903 -8.299 186 2HG LYS 30 1HG LYS 30 9.107 7.411 -7.831 187 1HD LYS 30 2HD LYS 30 10.085 7.589 -10.070 188 2HD LYS 30 1HD LYS 30 9.299 6.078 -10.534 189 1HE LYS 30 2HE LYS 30 7.110 7.100 -10.138 190 2HE LYS 30 1HE LYS 30 7.899 8.609 -9.679 191 1HZ LYS 30 1HZ LYS 30 8.064 7.315 -12.347 192 2HZ LYS 30 2HZ LYS 30 8.821 8.762 -11.908 193 3HZ LYS 30 3HZ LYS 30 7.132 8.675 -11.965 194 H LEU 31 H LEU 31 8.823 7.278 -6.039 195 HA LEU 31 HA LEU 31 10.809 8.996 -4.704 196 1HB LEU 31 2HB LEU 31 9.067 10.819 -5.192 197 2HB LEU 31 1HB LEU 31 10.043 10.221 -6.519 198 HG LEU 31 HG LEU 31 8.080 8.682 -7.073 199 1HD1 LEU 31 1HD1 LEU 31 5.881 9.470 -6.310 200 2HD1 LEU 31 2HD1 LEU 31 6.679 10.594 -5.211 201 3HD1 LEU 31 3HD1 LEU 31 6.870 8.856 -4.986 202 1HD2 LEU 31 1HD2 LEU 31 7.732 11.668 -7.314 203 2HD2 LEU 31 2HD2 LEU 31 6.911 10.452 -8.293 204 3HD2 LEU 31 3HD2 LEU 31 8.662 10.637 -8.401 205 H GLY 32 H GLY 32 9.395 6.832 -3.410 206 1HA GLY 32 1HA GLY 32 7.204 7.825 -1.897 207 2HA GLY 32 2HA GLY 32 8.149 6.391 -1.529 208 H THR 33 H THR 33 7.243 7.883 0.521 209 HA THR 33 HA THR 33 9.726 8.926 1.651 210 HB THR 33 HB THR 33 8.350 10.772 2.743 211 HG1 THR 33 HG1 THR 33 6.273 10.185 2.239 212 1HG2 THR 33 1HG2 THR 33 8.589 12.277 0.818 213 2HG2 THR 33 2HG2 THR 33 8.787 10.881 -0.242 214 3HG2 THR 33 3HG2 THR 33 9.995 11.227 0.996 215 H GLY 34 H GLY 34 6.429 7.788 2.110 216 1HA GLY 34 1HA GLY 34 7.012 6.099 4.238 217 2HA GLY 34 2HA GLY 34 6.511 7.628 4.940 218 H ARG 35 H ARG 35 5.223 6.511 1.906 219 HA ARG 35 HA ARG 35 3.068 6.219 1.237 220 1HB ARG 35 2HB ARG 35 2.060 4.208 2.065 221 2HB ARG 35 1HB ARG 35 3.797 3.962 1.989 222 1HG ARG 35 2HG ARG 35 3.927 4.385 4.418 223 2HG ARG 35 1HG ARG 35 2.167 4.517 4.459 224 1HD ARG 35 2HD ARG 35 2.892 2.292 5.136 225 2HD ARG 35 1HD ARG 35 1.976 2.225 3.630 226 HE ARG 35 HE ARG 35 3.965 1.734 2.470 227 1HH1 ARG 35 1HH1 ARG 35 4.458 2.057 5.903 228 2HH1 ARG 35 2HH1 ARG 35 5.994 1.261 5.888 229 1HH2 ARG 35 1HH2 ARG 35 5.985 0.681 2.438 230 2HH2 ARG 35 2HH2 ARG 35 6.863 0.476 3.916 231 H TRP 36 H TRP 36 3.411 8.370 3.169 232 HA TRP 36 HA TRP 36 1.344 8.372 5.084 233 1HB TRP 36 2HB TRP 36 2.515 10.770 3.658 234 2HB TRP 36 1HB TRP 36 1.685 10.770 5.211 235 HD1 TRP 36 HD1 TRP 36 5.064 10.177 3.635 236 HE1 TRP 36 HE1 TRP 36 6.804 9.748 5.482 237 HE3 TRP 36 HE3 TRP 36 1.908 9.707 7.629 238 HZ2 TRP 36 HZ2 TRP 36 6.834 9.274 8.265 239 HZ3 TRP 36 HZ3 TRP 36 2.873 9.266 9.849 240 HH2 TRP 36 HH2 TRP 36 5.285 9.054 10.159 241 H ARG 37 H ARG 37 1.490 9.549 1.748 242 HA ARG 37 HA ARG 37 -1.190 10.530 1.726 243 1HB ARG 37 2HB ARG 37 -0.856 10.669 -0.736 244 2HB ARG 37 1HB ARG 37 0.416 11.458 0.187 245 1HG ARG 37 2HG ARG 37 1.832 9.459 -0.122 246 2HG ARG 37 1HG ARG 37 0.568 8.758 -1.135 247 1HD ARG 37 2HD ARG 37 2.021 11.347 -1.666 248 2HD ARG 37 1HD ARG 37 2.329 9.811 -2.473 249 HE ARG 37 HE ARG 37 -0.342 10.311 -2.861 250 1HH1 ARG 37 1HH1 ARG 37 2.643 11.964 -3.576 251 2HH1 ARG 37 2HH1 ARG 37 2.022 12.743 -4.992 252 1HH2 ARG 37 1HH2 ARG 37 -1.166 11.333 -4.725 253 2HH2 ARG 37 2HH2 ARG 37 -0.143 12.384 -5.645 254 H ASP 38 H ASP 38 0.332 7.479 1.009 255 HA ASP 38 HA ASP 38 -1.827 6.307 -0.403 256 1HB ASP 38 2HB ASP 38 0.379 4.976 1.186 257 2HB ASP 38 1HB ASP 38 -0.679 4.171 0.033 258 H VAL 39 H VAL 39 -0.776 6.018 2.987 259 HA VAL 39 HA VAL 39 -2.892 4.356 3.813 260 HB VAL 39 HB VAL 39 -0.852 4.617 5.141 261 1HG1 VAL 39 1HG1 VAL 39 -0.475 7.003 4.746 262 2HG1 VAL 39 2HG1 VAL 39 -1.865 7.388 5.759 263 3HG1 VAL 39 3HG1 VAL 39 -0.445 6.618 6.465 264 1HG2 VAL 39 1HG2 VAL 39 -2.872 3.834 6.254 265 2HG2 VAL 39 2HG2 VAL 39 -1.885 4.797 7.353 266 3HG2 VAL 39 3HG2 VAL 39 -3.329 5.497 6.620 267 H LYS 40 H LYS 40 -2.627 7.832 3.480 268 HA LYS 40 HA LYS 40 -4.916 8.501 5.005 269 1HB LYS 40 2HB LYS 40 -3.314 9.927 2.906 270 2HB LYS 40 1HB LYS 40 -4.792 10.632 3.542 271 1HG LYS 40 2HG LYS 40 -3.876 10.615 5.784 272 2HG LYS 40 1HG LYS 40 -2.413 9.822 5.197 273 1HD LYS 40 2HD LYS 40 -1.964 12.169 5.458 274 2HD LYS 40 1HD LYS 40 -2.002 11.792 3.735 275 1HE LYS 40 2HE LYS 40 -4.298 12.632 3.605 276 2HE LYS 40 1HE LYS 40 -4.258 13.008 5.327 277 1HZ LYS 40 1HZ LYS 40 -2.466 14.575 4.906 278 2HZ LYS 40 2HZ LYS 40 -3.829 14.968 3.986 279 3HZ LYS 40 3HZ LYS 40 -2.505 14.212 3.253 280 H LEU 41 H LEU 41 -4.435 7.947 1.521 281 HA LEU 41 HA LEU 41 -7.366 7.956 1.219 282 1HB LEU 41 2HB LEU 41 -5.177 8.677 -0.715 283 2HB LEU 41 1HB LEU 41 -6.799 8.306 -1.258 284 HG LEU 41 HG LEU 41 -6.553 10.688 -1.146 285 1HD1 LEU 41 1HD1 LEU 41 -8.185 9.726 1.196 286 2HD1 LEU 41 2HD1 LEU 41 -8.721 9.795 -0.484 287 3HD1 LEU 41 3HD1 LEU 41 -8.347 11.284 0.386 288 1HD2 LEU 41 1HD2 LEU 41 -4.679 10.726 0.459 289 2HD2 LEU 41 2HD2 LEU 41 -5.817 10.370 1.759 290 3HD2 LEU 41 3HD2 LEU 41 -5.950 11.880 0.859 291 H CYS 42 H CYS 42 -5.570 5.682 2.006 292 HA CYS 42 HA CYS 42 -5.182 3.879 -0.074 293 1HB CYS 42 2HB CYS 42 -4.343 3.488 2.199 294 2HB CYS 42 1HB CYS 42 -5.990 3.285 2.784 295 HG CYS 42 HG CYS 42 -6.293 0.796 2.135 296 H ALA 43 H ALA 43 -8.003 4.410 1.961 297 HA ALA 43 HA ALA 43 -9.925 3.957 -0.011 298 1HB ALA 43 1HB ALA 43 -10.792 1.747 0.626 299 2HB ALA 43 2HB ALA 43 -9.153 1.647 -0.018 300 3HB ALA 43 3HB ALA 43 -9.426 1.537 1.721 301 H PHE 44 H PHE 44 -9.251 5.527 2.420 302 HA PHE 44 HA PHE 44 -10.324 6.612 4.083 303 1HB PHE 44 2HB PHE 44 -12.779 5.123 3.109 304 2HB PHE 44 1HB PHE 44 -12.769 6.497 4.207 305 HD1 PHE 44 HD1 PHE 44 -12.192 8.737 3.389 306 HD2 PHE 44 HD2 PHE 44 -12.542 5.413 0.755 307 HE1 PHE 44 HE1 PHE 44 -12.343 10.276 1.474 308 HE2 PHE 44 HE2 PHE 44 -12.692 6.946 -1.165 309 HZ PHE 44 HZ PHE 44 -12.592 9.380 -0.806 310 H GLU 45 H GLU 45 -9.367 3.708 4.006 311 HA GLU 45 HA GLU 45 -10.767 2.543 6.233 312 1HB GLU 45 2HB GLU 45 -8.411 1.583 4.614 313 2HB GLU 45 1HB GLU 45 -9.124 0.672 5.938 314 1HG GLU 45 2HG GLU 45 -10.540 1.502 3.416 315 2HG GLU 45 1HG GLU 45 -9.911 -0.107 3.767 316 H ASP 46 H ASP 46 -7.414 3.527 5.553 317 HA ASP 46 HA ASP 46 -6.976 3.704 8.460 318 1HB ASP 46 2HB ASP 46 -4.960 3.365 6.230 319 2HB ASP 46 1HB ASP 46 -4.566 3.502 7.940 320 H ALA 47 H ALA 47 -8.216 5.728 6.695 321 HA ALA 47 HA ALA 47 -6.402 7.834 6.197 322 1HB ALA 47 1HB ALA 47 -8.603 7.691 5.137 323 2HB ALA 47 2HB ALA 47 -9.373 7.986 6.696 324 3HB ALA 47 3HB ALA 47 -8.377 9.238 5.954 325 H ASP 48 H ASP 48 -7.376 6.543 9.102 326 HA ASP 48 HA ASP 48 -7.043 9.094 10.532 327 1HB ASP 48 2HB ASP 48 -8.109 7.967 12.452 328 2HB ASP 48 1HB ASP 48 -9.148 7.964 11.030 329 H HIS 49 H HIS 49 -5.371 6.390 9.628 330 HA HIS 49 HA HIS 49 -3.364 5.496 10.198 331 1HB HIS 49 2HB HIS 49 -3.129 7.909 12.005 332 2HB HIS 49 1HB HIS 49 -1.810 6.847 11.527 333 HD1 HIS 49 HD1 HIS 49 -3.732 9.787 10.444 334 HD2 HIS 49 HD2 HIS 49 -1.099 7.059 8.742 335 HE1 HIS 49 HE1 HIS 49 -2.991 10.827 8.278 336 HE2 HIS 49 HE2 HIS 49 -1.330 9.199 7.310 337 H ARG 50 H ARG 50 -3.476 3.641 11.259 338 HA ARG 50 HA ARG 50 -4.549 3.573 13.973 339 1HB ARG 50 2HB ARG 50 -3.833 1.350 12.056 340 2HB ARG 50 1HB ARG 50 -4.498 1.103 13.663 341 1HG ARG 50 2HG ARG 50 -5.923 2.743 11.595 342 2HG ARG 50 1HG ARG 50 -6.103 0.991 11.693 343 1HD ARG 50 2HD ARG 50 -7.901 1.992 12.912 344 2HD ARG 50 1HD ARG 50 -6.792 1.263 14.072 345 HE ARG 50 HE ARG 50 -6.198 4.012 13.639 346 1HH1 ARG 50 1HH1 ARG 50 -8.378 1.862 15.305 347 2HH1 ARG 50 2HH1 ARG 50 -8.732 2.992 16.569 348 1HH2 ARG 50 1HH2 ARG 50 -6.659 5.505 15.300 349 2HH2 ARG 50 2HH2 ARG 50 -7.755 5.062 16.566 350 H THR 51 H THR 51 -1.865 1.837 12.384 351 HA THR 51 HA THR 51 -0.032 2.685 14.474 352 HB THR 51 HB THR 51 -0.444 -0.268 14.004 353 HG1 THR 51 HG1 THR 51 -1.235 0.167 16.387 354 1HG2 THR 51 1HG2 THR 51 1.100 1.307 16.061 355 2HG2 THR 51 2HG2 THR 51 1.760 0.263 14.802 356 3HG2 THR 51 3HG2 THR 51 0.838 -0.435 16.133 357 H TYR 52 H TYR 52 2.180 2.286 13.953 358 HA TYR 52 HA TYR 52 2.790 2.575 11.248 359 1HB TYR 52 2HB TYR 52 5.107 2.476 11.859 360 2HB TYR 52 1HB TYR 52 4.238 3.361 13.100 361 HD1 TYR 52 HD1 TYR 52 3.244 1.369 14.925 362 HD2 TYR 52 HD2 TYR 52 6.903 1.392 12.758 363 HE1 TYR 52 HE1 TYR 52 4.263 -0.046 16.650 364 HE2 TYR 52 HE2 TYR 52 7.933 -0.032 14.476 365 HH TYR 52 HH TYR 52 6.131 -1.631 16.863 366 H VAL 53 H VAL 53 3.053 -0.341 13.294 367 HA VAL 53 HA VAL 53 4.005 -1.913 11.080 368 HB VAL 53 HB VAL 53 3.014 -2.802 13.794 369 1HG1 VAL 53 1HG1 VAL 53 4.115 -4.949 13.233 370 2HG1 VAL 53 2HG1 VAL 53 2.731 -4.597 12.197 371 3HG1 VAL 53 3HG1 VAL 53 4.371 -4.358 11.590 372 1HG2 VAL 53 1HG2 VAL 53 5.329 -3.053 14.364 373 2HG2 VAL 53 2HG2 VAL 53 5.827 -2.647 12.720 374 3HG2 VAL 53 3HG2 VAL 53 5.087 -1.419 13.746 375 H ASP 54 H ASP 54 0.896 -1.349 12.650 376 HA ASP 54 HA ASP 54 -0.571 -3.412 11.468 377 1HB ASP 54 2HB ASP 54 -1.341 -0.648 12.386 378 2HB ASP 54 1HB ASP 54 -2.525 -1.730 11.658 379 H LEU 55 H LEU 55 -0.133 -0.063 10.349 380 HA LEU 55 HA LEU 55 -1.404 -0.399 7.862 381 1HB LEU 55 2HB LEU 55 -1.092 1.820 8.563 382 2HB LEU 55 1HB LEU 55 0.601 1.562 8.935 383 HG LEU 55 HG LEU 55 1.039 1.349 6.476 384 1HD1 LEU 55 1HD1 LEU 55 -1.164 0.734 5.718 385 2HD1 LEU 55 2HD1 LEU 55 -0.676 2.244 4.949 386 3HD1 LEU 55 3HD1 LEU 55 -1.824 2.266 6.287 387 1HD2 LEU 55 1HD2 LEU 55 -0.176 3.936 7.437 388 2HD2 LEU 55 2HD2 LEU 55 0.880 3.759 6.035 389 3HD2 LEU 55 3HD2 LEU 55 1.496 3.421 7.653 390 H LYS 56 H LYS 56 1.850 -0.958 8.998 391 HA LYS 56 HA LYS 56 3.107 -1.345 6.506 392 1HB LYS 56 2HB LYS 56 4.410 -0.984 8.516 393 2HB LYS 56 1HB LYS 56 3.750 -2.436 9.252 394 1HG LYS 56 2HG LYS 56 5.913 -3.003 8.547 395 2HG LYS 56 1HG LYS 56 4.824 -3.725 7.362 396 1HD LYS 56 2HD LYS 56 6.662 -2.710 6.199 397 2HD LYS 56 1HD LYS 56 5.207 -1.760 5.893 398 1HE LYS 56 2HE LYS 56 5.896 -0.110 7.514 399 2HE LYS 56 1HE LYS 56 7.281 -1.094 7.980 400 1HZ LYS 56 1HZ LYS 56 7.931 0.686 6.490 401 2HZ LYS 56 2HZ LYS 56 6.850 0.136 5.311 402 3HZ LYS 56 3HZ LYS 56 8.178 -0.815 5.750 403 H ASP 57 H ASP 57 1.145 -3.386 8.522 404 HA ASP 57 HA ASP 57 1.813 -5.847 7.254 405 1HB ASP 57 2HB ASP 57 0.812 -5.548 9.577 406 2HB ASP 57 1HB ASP 57 -0.723 -5.248 8.774 407 H LYS 58 H LYS 58 -0.838 -3.535 6.993 408 HA LYS 58 HA LYS 58 -2.288 -4.980 5.024 409 1HB LYS 58 2HB LYS 58 -2.365 -2.048 5.752 410 2HB LYS 58 1HB LYS 58 -3.534 -2.858 4.720 411 1HG LYS 58 2HG LYS 58 -4.170 -4.309 6.587 412 2HG LYS 58 1HG LYS 58 -3.012 -3.469 7.622 413 1HD LYS 58 2HD LYS 58 -4.232 -1.376 7.292 414 2HD LYS 58 1HD LYS 58 -5.382 -2.206 6.242 415 1HE LYS 58 2HE LYS 58 -6.037 -3.648 8.112 416 2HE LYS 58 1HE LYS 58 -4.892 -2.810 9.158 417 1HZ LYS 58 1HZ LYS 58 -7.237 -1.571 7.819 418 2HZ LYS 58 2HZ LYS 58 -6.141 -0.768 8.827 419 3HZ LYS 58 3HZ LYS 58 -7.138 -1.979 9.458 420 H TRP 59 H TRP 59 0.350 -2.711 4.902 421 HA TRP 59 HA TRP 59 0.059 -2.164 2.088 422 1HB TRP 59 2HB TRP 59 1.025 -0.371 3.207 423 2HB TRP 59 1HB TRP 59 1.998 -1.407 4.244 424 HD1 TRP 59 HD1 TRP 59 4.260 -2.418 3.169 425 HE1 TRP 59 HE1 TRP 59 5.779 -1.512 1.297 426 HE3 TRP 59 HE3 TRP 59 1.022 0.912 1.049 427 HZ2 TRP 59 HZ2 TRP 59 5.622 0.375 -0.800 428 HZ3 TRP 59 HZ3 TRP 59 1.782 2.234 -0.882 429 HH2 TRP 59 HH2 TRP 59 4.035 1.970 -1.785 430 H LYS 60 H LYS 60 2.395 -3.914 4.114 431 HA LYS 60 HA LYS 60 4.003 -4.966 2.124 432 1HB LYS 60 2HB LYS 60 4.521 -5.108 4.522 433 2HB LYS 60 1HB LYS 60 3.216 -6.265 4.737 434 1HG LYS 60 2HG LYS 60 4.553 -7.582 2.879 435 2HG LYS 60 1HG LYS 60 5.892 -6.625 3.513 436 1HD LYS 60 2HD LYS 60 5.964 -8.563 4.797 437 2HD LYS 60 1HD LYS 60 5.084 -7.430 5.824 438 1HE LYS 60 2HE LYS 60 3.715 -9.377 3.983 439 2HE LYS 60 1HE LYS 60 4.126 -9.768 5.650 440 1HZ LYS 60 1HZ LYS 60 1.870 -9.014 5.543 441 2HZ LYS 60 2HZ LYS 60 2.318 -7.599 4.734 442 3HZ LYS 60 3HZ LYS 60 2.784 -7.836 6.342 443 H THR 61 H THR 61 0.854 -6.041 3.247 444 HA THR 61 HA THR 61 0.975 -8.508 1.737 445 HB THR 61 HB THR 61 -0.307 -8.378 3.867 446 HG1 THR 61 HG1 THR 61 -2.328 -8.938 2.085 447 1HG2 THR 61 1HG2 THR 61 -1.209 -6.104 3.578 448 2HG2 THR 61 2HG2 THR 61 -2.480 -7.281 3.905 449 3HG2 THR 61 3HG2 THR 61 -2.230 -6.687 2.263 450 H LEU 62 H LEU 62 -0.259 -5.280 1.373 451 HA LEU 62 HA LEU 62 -2.018 -5.668 -0.764 452 1HB LEU 62 2HB LEU 62 -2.278 -3.555 -0.040 453 2HB LEU 62 1HB LEU 62 -0.627 -3.446 0.531 454 HG LEU 62 HG LEU 62 0.007 -3.102 -1.939 455 1HD1 LEU 62 1HD1 LEU 62 -2.139 -3.804 -2.883 456 2HD1 LEU 62 2HD1 LEU 62 -1.738 -2.148 -3.337 457 3HD1 LEU 62 3HD1 LEU 62 -2.932 -2.452 -2.076 458 1HD2 LEU 62 1HD2 LEU 62 -1.601 -1.006 -0.489 459 2HD2 LEU 62 2HD2 LEU 62 -0.408 -0.717 -1.755 460 3HD2 LEU 62 3HD2 LEU 62 0.098 -1.381 -0.199 461 H VAL 63 H VAL 63 1.467 -5.393 -0.620 462 HA VAL 63 HA VAL 63 1.709 -5.338 -3.521 463 HB VAL 63 HB VAL 63 4.152 -5.249 -3.109 464 1HG1 VAL 63 1HG1 VAL 63 4.180 -2.991 -2.151 465 2HG1 VAL 63 2HG1 VAL 63 2.873 -3.192 -3.319 466 3HG1 VAL 63 3HG1 VAL 63 2.523 -3.215 -1.590 467 1HG2 VAL 63 1HG2 VAL 63 4.253 -6.492 -1.025 468 2HG2 VAL 63 2HG2 VAL 63 4.963 -4.892 -0.815 469 3HG2 VAL 63 3HG2 VAL 63 3.344 -5.225 -0.201 470 H HIS 64 H HIS 64 2.423 -7.501 -0.808 471 HA HIS 64 HA HIS 64 3.683 -9.532 -2.280 472 1HB HIS 64 2HB HIS 64 3.959 -10.338 -0.213 473 2HB HIS 64 1HB HIS 64 2.861 -9.114 0.405 474 HD1 HIS 64 HD1 HIS 64 3.117 -12.731 -0.331 475 HD2 HIS 64 HD2 HIS 64 0.184 -10.014 0.799 476 HE1 HIS 64 HE1 HIS 64 1.177 -14.124 0.455 477 HE2 HIS 64 HE2 HIS 64 -0.617 -12.460 1.052 478 H THR 65 H THR 65 0.340 -8.707 -1.836 479 HA THR 65 HA THR 65 -0.673 -11.205 -2.858 480 HB THR 65 HB THR 65 -1.912 -9.739 -1.211 481 HG1 THR 65 HG1 THR 65 -3.214 -11.232 -2.090 482 1HG2 THR 65 1HG2 THR 65 -2.498 -8.114 -3.691 483 2HG2 THR 65 2HG2 THR 65 -1.510 -7.586 -2.329 484 3HG2 THR 65 3HG2 THR 65 -3.232 -7.891 -2.102 485 H ALA 66 H ALA 66 0.497 -8.299 -4.207 486 HA ALA 66 HA ALA 66 -1.050 -8.056 -6.521 487 1HB ALA 66 1HB ALA 66 1.866 -7.383 -6.151 488 2HB ALA 66 2HB ALA 66 0.827 -6.799 -7.451 489 3HB ALA 66 3HB ALA 66 0.501 -6.329 -5.784 490 H LYS 67 H LYS 67 2.327 -8.974 -6.924 491 HA LYS 67 HA LYS 67 1.589 -11.471 -8.227 492 1HB LYS 67 2HB LYS 67 2.923 -9.182 -9.677 493 2HB LYS 67 1HB LYS 67 2.927 -10.836 -10.270 494 1HG LYS 67 2HG LYS 67 0.441 -9.224 -9.737 495 2HG LYS 67 1HG LYS 67 1.207 -9.400 -11.317 496 1HD LYS 67 2HD LYS 67 0.879 -11.828 -11.195 497 2HD LYS 67 1HD LYS 67 0.100 -11.641 -9.623 498 1HE LYS 67 2HE LYS 67 -1.556 -11.880 -11.396 499 2HE LYS 67 1HE LYS 67 -1.655 -10.286 -10.648 500 1HZ LYS 67 1HZ LYS 67 -0.308 -10.907 -13.222 501 2HZ LYS 67 2HZ LYS 67 -0.402 -9.378 -12.505 502 3HZ LYS 67 3HZ LYS 67 -1.808 -10.144 -13.051 503 H ILE 68 H ILE 68 3.235 -10.457 -5.904 504 HA ILE 68 HA ILE 68 5.971 -10.836 -6.483 505 HB ILE 68 HB ILE 68 4.539 -11.253 -3.854 506 1HG1 ILE 68 2HG1 ILE 68 4.167 -9.007 -4.744 507 2HG1 ILE 68 1HG1 ILE 68 5.241 -8.944 -3.352 508 1HG2 ILE 68 1HG2 ILE 68 6.743 -10.827 -2.843 509 2HG2 ILE 68 2HG2 ILE 68 7.459 -10.797 -4.454 510 3HG2 ILE 68 3HG2 ILE 68 6.731 -12.281 -3.841 511 1HD1 ILE 68 1HD1 ILE 68 5.993 -7.441 -5.090 512 2HD1 ILE 68 2HD1 ILE 68 6.067 -8.775 -6.241 513 3HD1 ILE 68 3HD1 ILE 68 7.161 -8.741 -4.857 514 H SER 69 H SER 69 3.356 -13.034 -5.959 515 HA SER 69 HA SER 69 3.205 -15.303 -5.834 516 1HB SER 69 2HB SER 69 5.690 -15.106 -7.553 517 2HB SER 69 1HB SER 69 4.684 -16.544 -7.377 518 HG SER 69 HG SER 69 3.965 -14.051 -8.515 519 HA PRO 70 HA PRO 70 6.457 -15.706 -2.547 520 1HB PRO 70 2HB PRO 70 4.816 -15.961 -0.434 521 2HB PRO 70 1HB PRO 70 5.253 -14.379 -1.090 522 1HG PRO 70 2HG PRO 70 2.752 -15.969 -1.485 523 2HG PRO 70 1HG PRO 70 2.943 -14.226 -1.224 524 1HD PRO 70 2HD PRO 70 2.544 -15.379 -3.683 525 2HD PRO 70 1HD PRO 70 3.352 -13.819 -3.435 526 H GLN 71 H GLN 71 4.196 -17.601 -4.025 527 HA GLN 71 HA GLN 71 4.439 -19.910 -2.283 528 1HB GLN 71 2HB GLN 71 3.013 -21.030 -3.972 529 2HB GLN 71 1HB GLN 71 2.300 -19.549 -3.352 530 1HG GLN 71 2HG GLN 71 3.013 -18.360 -5.361 531 2HG GLN 71 1HG GLN 71 3.733 -19.845 -5.983 532 1HE2 GLN 71 1HE2 GLN 71 2.396 -21.506 -6.697 533 2HE2 GLN 71 2HE2 GLN 71 0.725 -21.252 -7.052 534 H GLN 72 H GLN 72 5.896 -18.623 -5.146 535 HA GLN 72 HA GLN 72 7.619 -19.304 -6.459 536 1HB GLN 72 2HB GLN 72 8.180 -21.162 -4.141 537 2HB GLN 72 1HB GLN 72 9.296 -20.806 -5.452 538 1HG GLN 72 2HG GLN 72 9.349 -18.462 -4.776 539 2HG GLN 72 1HG GLN 72 8.226 -18.816 -3.463 540 1HE2 GLN 72 1HE2 GLN 72 10.777 -20.989 -4.441 541 2HE2 GLN 72 2HE2 GLN 72 11.746 -20.804 -3.024 542 H ARG 73 H ARG 73 4.962 -20.888 -6.245 543 HA ARG 73 HA ARG 73 3.964 -22.600 -7.355 544 1HB ARG 73 2HB ARG 73 5.371 -21.601 -9.227 545 2HB ARG 73 1HB ARG 73 6.525 -22.891 -8.922 546 1HG ARG 73 2HG ARG 73 4.812 -24.553 -9.436 547 2HG ARG 73 1HG ARG 73 3.648 -23.260 -9.734 548 1HD ARG 73 2HD ARG 73 5.048 -22.422 -11.555 549 2HD ARG 73 1HD ARG 73 6.215 -23.707 -11.254 550 HE ARG 73 HE ARG 73 3.659 -24.813 -11.720 551 1HH1 ARG 73 1HH1 ARG 73 6.289 -23.240 -13.382 552 2HH1 ARG 73 2HH1 ARG 73 5.952 -24.000 -14.902 553 1HH2 ARG 73 1HH2 ARG 73 3.210 -25.818 -13.717 554 2HH2 ARG 73 2HH2 ARG 73 4.202 -25.464 -15.092 555 H ARG 74 H ARG 74 6.177 -23.006 -5.155 556 HA ARG 74 HA ARG 74 6.482 -25.910 -5.527 557 1HB ARG 74 2HB ARG 74 8.013 -24.002 -3.749 558 2HB ARG 74 1HB ARG 74 8.259 -25.742 -3.795 559 1HG ARG 74 2HG ARG 74 8.934 -25.592 -6.135 560 2HG ARG 74 1HG ARG 74 8.676 -23.847 -6.097 561 1HD ARG 74 2HD ARG 74 11.037 -24.387 -5.833 562 2HD ARG 74 1HD ARG 74 10.396 -23.626 -4.378 563 HE ARG 74 HE ARG 74 10.208 -26.406 -4.090 564 1HH1 ARG 74 1HH1 ARG 74 12.632 -23.908 -4.280 565 2HH1 ARG 74 2HH1 ARG 74 13.781 -24.771 -3.314 566 1HH2 ARG 74 1HH2 ARG 74 11.716 -27.547 -2.817 567 2HH2 ARG 74 2HH2 ARG 74 13.261 -26.839 -2.482 568 H GLY 75 H GLY 75 5.872 -23.510 -2.958 569 1HA GLY 75 1HA GLY 75 3.594 -24.781 -1.940 570 2HA GLY 75 2HA GLY 75 4.982 -25.366 -1.034 571 H GLU 76 H GLU 76 4.518 -24.417 0.907 572 HA GLU 76 HA GLU 76 4.716 -21.485 0.956 573 1HB GLU 76 2HB GLU 76 2.826 -23.154 2.625 574 2HB GLU 76 1HB GLU 76 3.074 -21.422 2.797 575 1HG GLU 76 2HG GLU 76 2.225 -21.069 0.538 576 2HG GLU 76 1HG GLU 76 1.983 -22.806 0.358 577 HA PRO 77 HA PRO 77 7.797 -23.486 3.817 578 1HB PRO 77 2HB PRO 77 9.945 -22.060 2.977 579 2HB PRO 77 1HB PRO 77 9.426 -23.556 2.199 580 1HG PRO 77 2HG PRO 77 8.944 -20.727 1.368 581 2HG PRO 77 1HG PRO 77 9.366 -22.129 0.371 582 1HD PRO 77 2HD PRO 77 6.832 -21.163 0.584 583 2HD PRO 77 1HD PRO 77 7.195 -22.873 0.279 584 H VAL 78 H VAL 78 9.068 -20.325 3.080 585 HA VAL 78 HA VAL 78 7.845 -19.143 5.450 586 HB VAL 78 HB VAL 78 10.158 -18.261 6.117 587 1HG1 VAL 78 1HG1 VAL 78 8.897 -19.852 7.460 588 2HG1 VAL 78 2HG1 VAL 78 9.512 -21.185 6.483 589 3HG1 VAL 78 3HG1 VAL 78 10.617 -20.244 7.486 590 1HG2 VAL 78 1HG2 VAL 78 11.381 -18.940 4.132 591 2HG2 VAL 78 2HG2 VAL 78 12.041 -19.745 5.555 592 3HG2 VAL 78 3HG2 VAL 78 10.995 -20.631 4.447 593 HA PRO 79 HA PRO 79 7.965 -16.027 2.122 594 1HB PRO 79 2HB PRO 79 5.877 -14.567 3.037 595 2HB PRO 79 1HB PRO 79 5.664 -16.050 2.100 596 1HG PRO 79 2HG PRO 79 5.506 -15.640 5.061 597 2HG PRO 79 1HG PRO 79 4.447 -16.594 4.005 598 1HD PRO 79 2HD PRO 79 6.405 -17.708 5.520 599 2HD PRO 79 1HD PRO 79 5.894 -18.383 3.959 600 H GLN 80 H GLN 80 10.031 -15.403 3.147 601 HA GLN 80 HA GLN 80 9.829 -13.258 5.126 602 1HB GLN 80 2HB GLN 80 12.184 -14.788 4.019 603 2HB GLN 80 1HB GLN 80 12.345 -13.429 5.121 604 1HG GLN 80 2HG GLN 80 11.053 -14.644 6.804 605 2HG GLN 80 1HG GLN 80 10.902 -16.008 5.697 606 1HE2 GLN 80 1HE2 GLN 80 13.793 -14.071 5.969 607 2HE2 GLN 80 2HE2 GLN 80 14.777 -15.291 6.698 608 H GLU 81 H GLU 81 10.522 -13.831 1.788 609 HA GLU 81 HA GLU 81 11.985 -11.628 1.040 610 1HB GLU 81 2HB GLU 81 9.718 -12.922 -0.482 611 2HB GLU 81 1HB GLU 81 10.932 -11.858 -1.181 612 1HG GLU 81 2HG GLU 81 11.460 -14.529 0.104 613 2HG GLU 81 1HG GLU 81 11.421 -14.200 -1.628 614 H LEU 82 H LEU 82 8.440 -11.836 1.333 615 HA LEU 82 HA LEU 82 7.864 -9.247 0.479 616 1HB LEU 82 2HB LEU 82 5.795 -9.533 2.018 617 2HB LEU 82 1HB LEU 82 5.983 -10.549 0.606 618 HG LEU 82 HG LEU 82 6.953 -12.312 2.171 619 1HD1 LEU 82 1HD1 LEU 82 5.911 -10.337 4.171 620 2HD1 LEU 82 2HD1 LEU 82 7.492 -11.113 4.111 621 3HD1 LEU 82 3HD1 LEU 82 6.063 -12.054 4.535 622 1HD2 LEU 82 1HD2 LEU 82 4.722 -12.466 1.215 623 2HD2 LEU 82 2HD2 LEU 82 4.084 -11.461 2.516 624 3HD2 LEU 82 3HD2 LEU 82 4.736 -13.060 2.876 625 H LEU 83 H LEU 83 9.042 -10.378 3.562 626 HA LEU 83 HA LEU 83 8.473 -7.914 4.944 627 1HB LEU 83 2HB LEU 83 9.955 -10.425 5.631 628 2HB LEU 83 1HB LEU 83 10.126 -9.003 6.641 629 HG LEU 83 HG LEU 83 7.491 -10.338 6.026 630 1HD1 LEU 83 1HD1 LEU 83 9.219 -10.515 8.488 631 2HD1 LEU 83 2HD1 LEU 83 8.920 -11.814 7.331 632 3HD1 LEU 83 3HD1 LEU 83 7.597 -11.185 8.314 633 1HD2 LEU 83 1HD2 LEU 83 6.654 -8.953 7.861 634 2HD2 LEU 83 2HD2 LEU 83 7.294 -7.964 6.547 635 3HD2 LEU 83 3HD2 LEU 83 8.242 -8.201 8.016 636 H ASN 84 H ASN 84 11.266 -9.420 3.423 637 HA ASN 84 HA ASN 84 13.154 -7.474 4.261 638 1HB ASN 84 2HB ASN 84 13.790 -9.741 3.515 639 2HB ASN 84 1HB ASN 84 13.266 -9.341 1.883 640 1HD2 ASN 84 1HD2 ASN 84 14.486 -7.916 0.647 641 2HD2 ASN 84 2HD2 ASN 84 16.115 -7.513 1.054 642 H ARG 85 H ARG 85 11.038 -7.765 1.469 643 HA ARG 85 HA ARG 85 12.260 -5.579 0.061 644 1HB ARG 85 2HB ARG 85 10.497 -5.867 -1.572 645 2HB ARG 85 1HB ARG 85 11.166 -7.433 -1.135 646 1HG ARG 85 2HG ARG 85 9.264 -7.889 0.285 647 2HG ARG 85 1HG ARG 85 8.609 -6.283 -0.037 648 1HD ARG 85 2HD ARG 85 9.059 -8.454 -2.083 649 2HD ARG 85 1HD ARG 85 7.503 -7.991 -1.395 650 HE ARG 85 HE ARG 85 7.915 -5.762 -2.448 651 1HH1 ARG 85 1HH1 ARG 85 9.430 -8.640 -3.701 652 2HH1 ARG 85 2HH1 ARG 85 9.589 -8.012 -5.308 653 1HH2 ARG 85 1HH2 ARG 85 8.121 -4.928 -4.559 654 2HH2 ARG 85 2HH2 ARG 85 8.846 -5.902 -5.795 655 H VAL 86 H VAL 86 9.464 -5.982 2.177 656 HA VAL 86 HA VAL 86 8.335 -3.434 1.621 657 HB VAL 86 HB VAL 86 7.014 -5.242 2.636 658 1HG1 VAL 86 1HG1 VAL 86 8.684 -6.191 4.110 659 2HG1 VAL 86 2HG1 VAL 86 8.668 -4.731 5.095 660 3HG1 VAL 86 3HG1 VAL 86 7.236 -5.755 5.015 661 1HG2 VAL 86 1HG2 VAL 86 5.847 -3.876 4.312 662 2HG2 VAL 86 2HG2 VAL 86 7.203 -2.749 4.314 663 3HG2 VAL 86 3HG2 VAL 86 6.236 -2.962 2.854 664 H LEU 87 H LEU 87 10.481 -4.609 4.203 665 HA LEU 87 HA LEU 87 10.647 -2.092 5.517 666 1HB LEU 87 2HB LEU 87 11.937 -4.730 5.761 667 2HB LEU 87 1HB LEU 87 12.908 -3.373 6.303 668 HG LEU 87 HG LEU 87 11.162 -2.717 7.878 669 1HD1 LEU 87 1HD1 LEU 87 9.673 -5.143 6.883 670 2HD1 LEU 87 2HD1 LEU 87 9.216 -3.463 6.607 671 3HD1 LEU 87 3HD1 LEU 87 9.202 -4.122 8.244 672 1HD2 LEU 87 1HD2 LEU 87 11.882 -5.638 8.071 673 2HD2 LEU 87 2HD2 LEU 87 11.329 -4.621 9.401 674 3HD2 LEU 87 3HD2 LEU 87 12.872 -4.285 8.616 675 H ASN 88 H ASN 88 12.474 -3.648 2.962 676 HA ASN 88 HA ASN 88 14.660 -1.828 2.969 677 1HB ASN 88 2HB ASN 88 14.574 -4.133 1.880 678 2HB ASN 88 1HB ASN 88 13.664 -3.379 0.578 679 1HD2 ASN 88 1HD2 ASN 88 16.277 -4.669 0.536 680 2HD2 ASN 88 2HD2 ASN 88 17.382 -3.488 -0.073 681 H ALA 89 H ALA 89 11.647 -2.045 1.152 682 HA ALA 89 HA ALA 89 12.027 0.106 -0.586 683 1HB ALA 89 1HB ALA 89 9.429 -0.879 0.586 684 2HB ALA 89 2HB ALA 89 9.609 0.112 -0.861 685 3HB ALA 89 3HB ALA 89 10.231 -1.538 -0.840 686 H HIS 90 H HIS 90 10.186 0.093 2.483 687 HA HIS 90 HA HIS 90 9.709 2.847 2.564 688 1HB HIS 90 2HB HIS 90 8.521 1.228 3.985 689 2HB HIS 90 1HB HIS 90 10.004 0.925 4.884 690 HD1 HIS 90 HD1 HIS 90 7.214 3.360 4.526 691 HD2 HIS 90 HD2 HIS 90 10.751 2.979 6.675 692 HE1 HIS 90 HE1 HIS 90 7.102 5.115 6.324 693 HE2 HIS 90 HE2 HIS 90 9.215 4.811 7.662 694 H GLY 91 H GLY 91 12.200 0.968 4.290 695 1HA GLY 91 1HA GLY 91 13.569 3.056 5.480 696 2HA GLY 91 2HA GLY 91 14.314 1.543 4.979 697 H TYR 92 H TYR 92 13.727 1.915 2.168 698 HA TYR 92 HA TYR 92 16.048 3.340 1.399 699 1HB TYR 92 2HB TYR 92 15.465 1.644 -0.086 700 2HB TYR 92 1HB TYR 92 13.759 2.070 -0.064 701 HD1 TYR 92 HD1 TYR 92 12.862 3.618 -1.612 702 HD2 TYR 92 HD2 TYR 92 17.065 3.019 -1.420 703 HE1 TYR 92 HE1 TYR 92 13.124 4.860 -3.716 704 HE2 TYR 92 HE2 TYR 92 17.345 4.263 -3.523 705 HH TYR 92 HH TYR 92 16.005 4.859 -5.504 706 H TRP 93 H TRP 93 12.578 4.139 1.107 707 HA TRP 93 HA TRP 93 12.811 6.565 -0.204 708 1HB TRP 93 2HB TRP 93 10.872 5.980 2.044 709 2HB TRP 93 1HB TRP 93 10.690 7.209 0.801 710 HD1 TRP 93 HD1 TRP 93 11.594 5.076 -1.598 711 HE1 TRP 93 HE1 TRP 93 9.781 3.436 -2.402 712 HE3 TRP 93 HE3 TRP 93 8.453 5.318 2.422 713 HZ2 TRP 93 HZ2 TRP 93 7.331 2.390 -1.450 714 HZ3 TRP 93 HZ3 TRP 93 6.394 3.973 2.398 715 HH2 TRP 93 HH2 TRP 93 5.846 2.540 0.500 716 H THR 94 H THR 94 12.538 6.127 3.315 717 HA THR 94 HA THR 94 13.107 8.763 4.024 718 HB THR 94 HB THR 94 13.668 7.891 6.266 719 HG1 THR 94 HG1 THR 94 14.720 5.945 5.499 720 1HG2 THR 94 1HG2 THR 94 11.512 6.807 6.721 721 2HG2 THR 94 2HG2 THR 94 11.273 6.561 4.992 722 3HG2 THR 94 3HG2 THR 94 11.322 8.196 5.651 723 H GLN 95 H GLN 95 15.314 5.980 3.801 724 HA GLN 95 HA GLN 95 17.627 7.480 4.506 725 1HB GLN 95 2HB GLN 95 17.264 4.788 3.198 726 2HB GLN 95 1HB GLN 95 18.849 5.468 3.550 727 1HG GLN 95 2HG GLN 95 18.285 5.554 5.925 728 2HG GLN 95 1HG GLN 95 16.697 4.878 5.572 729 1HE2 GLN 95 1HE2 GLN 95 17.756 3.086 3.516 730 2HE2 GLN 95 2HE2 GLN 95 18.557 1.812 4.364 731 H GLN 96 H GLN 96 15.777 7.379 1.699 732 HA GLN 96 HA GLN 96 17.953 7.855 -0.133 733 1HB GLN 96 2HB GLN 96 15.960 6.692 -0.938 734 2HB GLN 96 1HB GLN 96 14.963 8.081 -0.532 735 1HG GLN 96 2HG GLN 96 15.301 8.156 -2.859 736 2HG GLN 96 1HG GLN 96 16.331 9.408 -2.169 737 1HE2 GLN 96 1HE2 GLN 96 16.527 8.016 -4.724 738 2HE2 GLN 96 2HE2 GLN 96 18.091 7.280 -4.752 739 H GLN 97 H GLN 97 15.613 9.686 1.695 740 HA GLN 97 HA GLN 97 15.368 11.904 2.126 741 1HB GLN 97 2HB GLN 97 18.173 12.083 1.008 742 2HB GLN 97 1HB GLN 97 17.354 13.354 1.906 743 1HG GLN 97 2HG GLN 97 17.246 11.901 3.865 744 2HG GLN 97 1HG GLN 97 18.069 10.628 2.964 745 1HE2 GLN 97 1HE2 GLN 97 20.254 10.850 2.486 746 2HE2 GLN 97 2HE2 GLN 97 21.262 11.995 3.298 747 H MET 98 H MET 98 14.467 10.830 -0.366 748 HA MET 98 HA MET 98 13.509 11.518 -2.306 749 1HB MET 98 2HB MET 98 14.200 14.286 -1.310 750 2HB MET 98 1HB MET 98 13.100 13.922 -2.632 751 1HG MET 98 2HG MET 98 11.614 12.764 -1.091 752 2HG MET 98 1HG MET 98 12.722 13.099 0.238 753 1HE MET 98 1HE MET 98 9.687 15.446 1.034 754 2HE MET 98 2HE MET 98 10.725 14.151 1.631 755 3HE MET 98 3HE MET 98 9.605 13.842 0.304 756 H GLN 99 H GLN 99 16.672 11.657 -1.710 757 HA GLN 99 HA GLN 99 18.514 11.595 -3.030 758 1HB GLN 99 2HB GLN 99 17.071 10.532 -4.729 759 2HB GLN 99 1HB GLN 99 16.637 12.123 -5.338 760 1HG GLN 99 2HG GLN 99 18.966 12.534 -5.937 761 2HG GLN 99 1HG GLN 99 19.405 10.942 -5.320 762 1HE2 GLN 99 1HE2 GLN 99 19.684 12.060 -8.003 763 2HE2 GLN 99 2HE2 GLN 99 18.829 10.991 -9.057 764 H GLN 100 H GLN 100 16.275 14.260 -3.536 765 HA GLN 100 HA GLN 100 18.526 16.111 -3.424 766 1HB GLN 100 2HB GLN 100 16.447 16.146 -5.619 767 2HB GLN 100 1HB GLN 100 17.597 17.440 -5.315 768 1HG GLN 100 2HG GLN 100 19.443 15.913 -5.786 769 2HG GLN 100 1HG GLN 100 18.290 14.613 -6.086 770 1HE2 GLN 100 1HE2 GLN 100 17.041 14.652 -7.955 771 2HE2 GLN 100 2HE2 GLN 100 17.434 15.661 -9.302 772 H LEU 101 H LEU 101 16.094 15.217 -1.820 773 HA LEU 101 HA LEU 101 14.584 16.136 -0.392 774 1HB LEU 101 2HB LEU 101 16.241 18.582 -0.993 775 2HB LEU 101 1HB LEU 101 14.929 18.586 0.170 776 HG LEU 101 HG LEU 101 16.159 16.725 1.382 777 1HD1 LEU 101 1HD1 LEU 101 18.578 16.587 0.969 778 2HD1 LEU 101 2HD1 LEU 101 18.381 17.613 -0.451 779 3HD1 LEU 101 3HD1 LEU 101 17.631 16.018 -0.405 780 1HD2 LEU 101 1HD2 LEU 101 17.485 19.425 1.158 781 2HD2 LEU 101 2HD2 LEU 101 17.687 18.282 2.488 782 3HD2 LEU 101 3HD2 LEU 101 16.113 19.021 2.191 783 H GLN 102 H GLN 102 14.246 16.241 -3.427 784 HA GLN 102 HA GLN 102 11.850 17.932 -3.373 785 1HB GLN 102 2HB GLN 102 13.680 19.171 -4.513 786 2HB GLN 102 1HB GLN 102 13.815 17.855 -5.671 787 1HG GLN 102 2HG GLN 102 11.530 18.270 -6.418 788 2HG GLN 102 1HG GLN 102 11.385 19.582 -5.249 789 1HE2 GLN 102 1HE2 GLN 102 14.310 18.927 -7.037 790 2HE2 GLN 102 2HE2 GLN 102 14.254 20.342 -8.026 791 H GLN 103 H GLN 103 10.248 17.338 -4.986 792 HA GLN 103 HA GLN 103 10.096 14.479 -5.295 793 1HB GLN 103 2HB GLN 103 7.861 14.950 -6.273 794 2HB GLN 103 1HB GLN 103 8.085 15.662 -4.683 795 1HG GLN 103 2HG GLN 103 8.734 17.363 -7.009 796 2HG GLN 103 1HG GLN 103 7.033 16.985 -6.741 797 1HE2 GLN 103 1HE2 GLN 103 6.559 19.127 -6.246 798 2HE2 GLN 103 2HE2 GLN 103 7.020 19.847 -4.745 799 H ASN 104 H ASN 104 11.753 16.660 -6.990 800 HA ASN 104 HA ASN 104 11.005 15.820 -9.661 801 1HB ASN 104 2HB ASN 104 11.709 18.151 -9.233 802 2HB ASN 104 1HB ASN 104 13.301 17.571 -8.750 803 1HD2 ASN 104 1HD2 ASN 104 14.722 16.821 -10.304 804 2HD2 ASN 104 2HD2 ASN 104 14.484 17.106 -11.992 805 H VAL 105 H VAL 105 11.428 13.554 -9.364 806 HA VAL 105 HA VAL 105 14.027 12.583 -8.749 807 HB VAL 105 HB VAL 105 13.129 10.422 -9.808 808 1HG1 VAL 105 1HG1 VAL 105 11.674 11.680 -7.484 809 2HG1 VAL 105 2HG1 VAL 105 11.725 9.956 -7.850 810 3HG1 VAL 105 3HG1 VAL 105 13.204 10.809 -7.407 811 1HG2 VAL 105 1HG2 VAL 105 10.540 11.970 -9.711 812 2HG2 VAL 105 2HG2 VAL 105 11.398 11.535 -11.189 813 3HG2 VAL 105 3HG2 VAL 105 10.744 10.275 -10.145 Start of MODEL 2 1 H GLN 9 H GLN 9 -29.975 1.659 -4.681 2 HA GLN 9 HA GLN 9 -28.511 4.173 -4.239 3 1HB GLN 9 2HB GLN 9 -29.796 4.514 -2.162 4 2HB GLN 9 1HB GLN 9 -30.823 4.544 -3.587 5 1HG GLN 9 2HG GLN 9 -31.527 2.254 -3.138 6 2HG GLN 9 1HG GLN 9 -30.487 2.213 -1.715 7 1HE2 GLN 9 1HE2 GLN 9 -33.407 3.486 -3.102 8 2HE2 GLN 9 2HE2 GLN 9 -34.099 4.062 -1.627 9 H ARG 10 H ARG 10 -28.482 0.893 -3.979 10 HA ARG 10 HA ARG 10 -27.154 0.684 -1.419 11 1HB ARG 10 2HB ARG 10 -26.915 -1.703 -1.999 12 2HB ARG 10 1HB ARG 10 -28.576 -1.145 -2.146 13 1HG ARG 10 2HG ARG 10 -28.331 -0.994 -4.559 14 2HG ARG 10 1HG ARG 10 -26.647 -1.501 -4.429 15 1HD ARG 10 2HD ARG 10 -28.084 -3.366 -5.076 16 2HD ARG 10 1HD ARG 10 -27.354 -3.641 -3.494 17 HE ARG 10 HE ARG 10 -29.882 -2.441 -3.173 18 1HH1 ARG 10 1HH1 ARG 10 -28.422 -5.463 -4.112 19 2HH1 ARG 10 2HH1 ARG 10 -29.768 -6.422 -3.598 20 1HH2 ARG 10 1HH2 ARG 10 -31.659 -3.697 -2.492 21 2HH2 ARG 10 2HH2 ARG 10 -31.610 -5.417 -2.678 22 H ARG 11 H ARG 11 -26.279 1.158 -4.716 23 HA ARG 11 HA ARG 11 -23.497 0.409 -4.242 24 1HB ARG 11 2HB ARG 11 -24.554 -0.293 -6.347 25 2HB ARG 11 1HB ARG 11 -24.865 1.389 -6.755 26 1HG ARG 11 2HG ARG 11 -22.465 1.819 -6.840 27 2HG ARG 11 1HG ARG 11 -22.146 0.135 -6.415 28 1HD ARG 11 2HD ARG 11 -21.923 0.492 -8.819 29 2HD ARG 11 1HD ARG 11 -23.261 -0.598 -8.459 30 HE ARG 11 HE ARG 11 -24.203 2.057 -8.655 31 1HH1 ARG 11 1HH1 ARG 11 -23.009 -0.560 -10.624 32 2HH1 ARG 11 2HH1 ARG 11 -23.883 -0.067 -12.036 33 1HH2 ARG 11 1HH2 ARG 11 -25.357 2.711 -10.509 34 2HH2 ARG 11 2HH2 ARG 11 -25.217 1.792 -11.970 35 H ILE 12 H ILE 12 -22.281 1.887 -3.267 36 HA ILE 12 HA ILE 12 -22.761 4.732 -3.819 37 HB ILE 12 HB ILE 12 -21.092 3.492 -1.626 38 1HG1 ILE 12 2HG1 ILE 12 -23.840 4.748 -1.458 39 2HG1 ILE 12 1HG1 ILE 12 -23.535 3.013 -1.447 40 1HG2 ILE 12 1HG2 ILE 12 -21.125 5.742 -0.649 41 2HG2 ILE 12 2HG2 ILE 12 -21.998 6.336 -2.063 42 3HG2 ILE 12 3HG2 ILE 12 -20.351 5.728 -2.234 43 1HD1 ILE 12 1HD1 ILE 12 -23.912 3.851 0.795 44 2HD1 ILE 12 2HD1 ILE 12 -22.580 4.992 0.609 45 3HD1 ILE 12 3HD1 ILE 12 -22.260 3.257 0.621 46 H ARG 13 H ARG 13 -21.199 6.045 -4.662 47 HA ARG 13 HA ARG 13 -19.000 4.732 -6.005 48 1HB ARG 13 2HB ARG 13 -20.115 7.526 -6.066 49 2HB ARG 13 1HB ARG 13 -18.595 7.124 -6.857 50 1HG ARG 13 2HG ARG 13 -19.641 5.666 -8.368 51 2HG ARG 13 1HG ARG 13 -21.126 5.618 -7.417 52 1HD ARG 13 2HD ARG 13 -21.525 7.981 -7.934 53 2HD ARG 13 1HD ARG 13 -20.041 8.022 -8.884 54 HE ARG 13 HE ARG 13 -21.620 5.978 -9.909 55 1HH1 ARG 13 1HH1 ARG 13 -21.746 9.444 -9.575 56 2HH1 ARG 13 2HH1 ARG 13 -22.715 9.674 -10.992 57 1HH2 ARG 13 1HH2 ARG 13 -22.896 6.271 -11.775 58 2HH2 ARG 13 2HH2 ARG 13 -23.369 7.872 -12.241 59 H ARG 14 H ARG 14 -17.162 4.404 -5.016 60 HA ARG 14 HA ARG 14 -16.338 6.135 -2.814 61 1HB ARG 14 2HB ARG 14 -14.625 4.406 -2.387 62 2HB ARG 14 1HB ARG 14 -16.255 3.746 -2.395 63 1HG ARG 14 2HG ARG 14 -15.904 2.935 -4.682 64 2HG ARG 14 1HG ARG 14 -14.258 3.568 -4.642 65 1HD ARG 14 2HD ARG 14 -14.287 1.177 -4.171 66 2HD ARG 14 1HD ARG 14 -13.730 2.091 -2.770 67 HE ARG 14 HE ARG 14 -16.476 1.723 -2.497 68 1HH1 ARG 14 1HH1 ARG 14 -13.576 -0.208 -2.582 69 2HH1 ARG 14 2HH1 ARG 14 -14.219 -1.449 -1.560 70 1HH2 ARG 14 1HH2 ARG 14 -17.330 0.094 -1.152 71 2HH2 ARG 14 2HH2 ARG 14 -16.353 -1.278 -0.748 72 HA PRO 15 HA PRO 15 -13.341 8.351 -5.179 73 1HB PRO 15 2HB PRO 15 -11.395 8.762 -3.308 74 2HB PRO 15 1HB PRO 15 -12.915 9.661 -3.350 75 1HG PRO 15 2HG PRO 15 -12.143 7.321 -1.655 76 2HG PRO 15 1HG PRO 15 -13.037 8.785 -1.206 77 1HD PRO 15 2HD PRO 15 -14.267 6.427 -1.685 78 2HD PRO 15 1HD PRO 15 -15.023 7.987 -2.068 79 H PHE 16 H PHE 16 -11.493 6.255 -2.952 80 HA PHE 16 HA PHE 16 -10.186 5.039 -5.284 81 1HB PHE 16 2HB PHE 16 -8.843 6.235 -2.862 82 2HB PHE 16 1HB PHE 16 -8.037 5.076 -3.915 83 HD1 PHE 16 HD1 PHE 16 -9.488 8.453 -3.724 84 HD2 PHE 16 HD2 PHE 16 -7.202 5.713 -6.042 85 HE1 PHE 16 HE1 PHE 16 -8.819 10.285 -5.223 86 HE2 PHE 16 HE2 PHE 16 -6.528 7.542 -7.545 87 HZ PHE 16 HZ PHE 16 -7.337 9.832 -7.136 88 H SER 17 H SER 17 -8.751 3.136 -4.476 89 HA SER 17 HA SER 17 -9.780 1.750 -2.158 90 1HB SER 17 2HB SER 17 -10.509 -0.242 -3.427 91 2HB SER 17 1HB SER 17 -11.475 1.177 -3.832 92 HG SER 17 HG SER 17 -10.367 -0.331 -5.542 93 H VAL 18 H VAL 18 -8.640 -0.332 -1.811 94 HA VAL 18 HA VAL 18 -5.903 -0.082 -1.890 95 HB VAL 18 HB VAL 18 -7.034 -1.685 -0.437 96 1HG1 VAL 18 1HG1 VAL 18 -7.845 -3.826 -1.312 97 2HG1 VAL 18 2HG1 VAL 18 -8.748 -2.466 -1.977 98 3HG1 VAL 18 3HG1 VAL 18 -7.522 -3.274 -2.955 99 1HG2 VAL 18 1HG2 VAL 18 -5.051 -3.007 -2.289 100 2HG2 VAL 18 2HG2 VAL 18 -4.662 -2.013 -0.887 101 3HG2 VAL 18 3HG2 VAL 18 -5.476 -3.563 -0.671 102 H ALA 19 H ALA 19 -8.035 -1.480 -4.305 103 HA ALA 19 HA ALA 19 -6.169 -2.798 -5.898 104 1HB ALA 19 1HB ALA 19 -8.582 -3.023 -6.201 105 2HB ALA 19 2HB ALA 19 -8.670 -1.360 -6.782 106 3HB ALA 19 3HB ALA 19 -7.790 -2.574 -7.711 107 H GLU 20 H GLU 20 -7.283 0.573 -6.033 108 HA GLU 20 HA GLU 20 -5.611 1.296 -8.219 109 1HB GLU 20 2HB GLU 20 -7.650 2.550 -7.627 110 2HB GLU 20 1HB GLU 20 -6.901 3.051 -6.117 111 1HG GLU 20 2HG GLU 20 -6.808 4.830 -7.752 112 2HG GLU 20 1HG GLU 20 -5.186 4.259 -7.366 113 H VAL 21 H VAL 21 -5.273 1.331 -4.730 114 HA VAL 21 HA VAL 21 -3.029 2.933 -4.438 115 HB VAL 21 HB VAL 21 -3.716 0.439 -2.870 116 1HG1 VAL 21 1HG1 VAL 21 -1.402 1.079 -2.516 117 2HG1 VAL 21 2HG1 VAL 21 -1.890 2.741 -2.183 118 3HG1 VAL 21 3HG1 VAL 21 -2.359 1.446 -1.082 119 1HG2 VAL 21 1HG2 VAL 21 -4.382 3.335 -2.346 120 2HG2 VAL 21 2HG2 VAL 21 -5.515 2.090 -2.869 121 3HG2 VAL 21 3HG2 VAL 21 -4.756 1.979 -1.282 122 H GLU 22 H GLU 22 -3.304 -0.423 -5.458 123 HA GLU 22 HA GLU 22 -0.704 -1.306 -5.264 124 1HB GLU 22 2HB GLU 22 -2.752 -2.568 -6.113 125 2HB GLU 22 1HB GLU 22 -2.436 -1.834 -7.678 126 1HG GLU 22 2HG GLU 22 -0.422 -3.503 -6.197 127 2HG GLU 22 1HG GLU 22 -1.563 -4.161 -7.369 128 H ALA 23 H ALA 23 -2.134 0.307 -8.112 129 HA ALA 23 HA ALA 23 0.220 0.584 -9.579 130 1HB ALA 23 1HB ALA 23 -0.951 2.065 -10.960 131 2HB ALA 23 2HB ALA 23 -2.211 1.032 -10.284 132 3HB ALA 23 3HB ALA 23 -1.956 2.652 -9.635 133 H LEU 24 H LEU 24 -1.279 2.720 -7.201 134 HA LEU 24 HA LEU 24 0.491 4.867 -7.373 135 1HB LEU 24 2HB LEU 24 -1.633 4.915 -6.124 136 2HB LEU 24 1HB LEU 24 -0.947 3.834 -4.927 137 HG LEU 24 HG LEU 24 0.726 5.569 -4.352 138 1HD1 LEU 24 1HD1 LEU 24 0.785 6.752 -6.476 139 2HD1 LEU 24 2HD1 LEU 24 0.391 7.856 -5.159 140 3HD1 LEU 24 3HD1 LEU 24 -0.878 7.285 -6.242 141 1HD2 LEU 24 1HD2 LEU 24 -2.148 6.463 -4.179 142 2HD2 LEU 24 2HD2 LEU 24 -0.823 7.042 -3.170 143 3HD2 LEU 24 3HD2 LEU 24 -1.339 5.358 -3.068 144 H VAL 25 H VAL 25 0.802 1.756 -5.824 145 HA VAL 25 HA VAL 25 3.037 2.385 -4.187 146 HB VAL 25 HB VAL 25 2.041 -0.260 -5.251 147 1HG1 VAL 25 1HG1 VAL 25 3.522 -1.254 -3.483 148 2HG1 VAL 25 2HG1 VAL 25 4.367 -0.567 -4.872 149 3HG1 VAL 25 3HG1 VAL 25 4.300 0.324 -3.352 150 1HG2 VAL 25 1HG2 VAL 25 1.808 1.124 -2.589 151 2HG2 VAL 25 2HG2 VAL 25 0.508 0.697 -3.698 152 3HG2 VAL 25 3HG2 VAL 25 1.394 -0.569 -2.852 153 H GLN 26 H GLN 26 2.696 0.958 -7.415 154 HA GLN 26 HA GLN 26 5.440 0.505 -7.861 155 1HB GLN 26 2HB GLN 26 3.633 -0.515 -9.209 156 2HB GLN 26 1HB GLN 26 3.273 1.063 -9.896 157 1HG GLN 26 2HG GLN 26 5.490 1.142 -10.902 158 2HG GLN 26 1HG GLN 26 5.874 -0.425 -10.192 159 1HE2 GLN 26 1HE2 GLN 26 2.731 0.371 -11.482 160 2HE2 GLN 26 2HE2 GLN 26 2.809 -0.678 -12.851 161 H ALA 27 H ALA 27 3.528 3.355 -7.909 162 HA ALA 27 HA ALA 27 5.426 4.880 -9.488 163 1HB ALA 27 1HB ALA 27 3.887 6.736 -9.207 164 2HB ALA 27 2HB ALA 27 3.027 5.289 -9.735 165 3HB ALA 27 3HB ALA 27 2.943 5.798 -8.048 166 H VAL 28 H VAL 28 4.448 4.591 -6.101 167 HA VAL 28 HA VAL 28 6.167 6.776 -5.289 168 HB VAL 28 HB VAL 28 5.406 6.328 -3.021 169 1HG1 VAL 28 1HG1 VAL 28 2.993 6.746 -3.367 170 2HG1 VAL 28 2HG1 VAL 28 4.023 7.748 -4.390 171 3HG1 VAL 28 3HG1 VAL 28 3.198 6.347 -5.074 172 1HG2 VAL 28 1HG2 VAL 28 3.700 4.571 -2.619 173 2HG2 VAL 28 2HG2 VAL 28 3.994 3.962 -4.247 174 3HG2 VAL 28 3HG2 VAL 28 5.284 3.924 -3.046 175 H GLU 29 H GLU 29 6.504 3.386 -5.680 176 HA GLU 29 HA GLU 29 8.286 2.733 -3.645 177 1HB GLU 29 2HB GLU 29 9.164 1.005 -5.294 178 2HB GLU 29 1HB GLU 29 7.447 0.947 -4.920 179 1HG GLU 29 2HG GLU 29 6.841 1.800 -6.992 180 2HG GLU 29 1HG GLU 29 8.454 2.429 -7.316 181 H LYS 30 H LYS 30 8.754 4.985 -6.101 182 HA LYS 30 HA LYS 30 11.679 4.699 -5.966 183 1HB LYS 30 2HB LYS 30 11.696 6.217 -7.951 184 2HB LYS 30 1HB LYS 30 10.897 4.675 -8.227 185 1HG LYS 30 2HG LYS 30 8.741 5.684 -8.090 186 2HG LYS 30 1HG LYS 30 9.434 7.215 -7.552 187 1HD LYS 30 2HD LYS 30 10.569 7.452 -9.711 188 2HD LYS 30 1HD LYS 30 9.877 5.919 -10.244 189 1HE LYS 30 2HE LYS 30 7.628 6.854 -10.009 190 2HE LYS 30 1HE LYS 30 8.321 8.385 -9.473 191 1HZ LYS 30 1HZ LYS 30 7.731 8.455 -11.811 192 2HZ LYS 30 2HZ LYS 30 8.741 7.138 -12.135 193 3HZ LYS 30 3HZ LYS 30 9.405 8.607 -11.621 194 H LEU 31 H LEU 31 9.105 7.158 -5.765 195 HA LEU 31 HA LEU 31 11.009 8.881 -4.318 196 1HB LEU 31 2HB LEU 31 9.398 10.745 -5.035 197 2HB LEU 31 1HB LEU 31 10.485 10.078 -6.236 198 HG LEU 31 HG LEU 31 8.528 8.588 -6.947 199 1HD1 LEU 31 1HD1 LEU 31 7.023 10.631 -5.321 200 2HD1 LEU 31 2HD1 LEU 31 7.110 8.897 -5.012 201 3HD1 LEU 31 3HD1 LEU 31 6.298 9.496 -6.459 202 1HD2 LEU 31 1HD2 LEU 31 7.582 10.354 -8.350 203 2HD2 LEU 31 2HD2 LEU 31 9.340 10.460 -8.273 204 3HD2 LEU 31 3HD2 LEU 31 8.347 11.572 -7.331 205 H GLY 32 H GLY 32 9.425 6.811 -3.103 206 1HA GLY 32 1HA GLY 32 7.162 8.046 -1.818 207 2HA GLY 32 2HA GLY 32 7.835 6.464 -1.456 208 H THR 33 H THR 33 7.090 7.636 0.697 209 HA THR 33 HA THR 33 9.566 8.462 1.997 210 HB THR 33 HB THR 33 8.187 10.212 3.275 211 HG1 THR 33 HG1 THR 33 6.572 9.873 0.955 212 1HG2 THR 33 1HG2 THR 33 9.983 10.803 1.726 213 2HG2 THR 33 2HG2 THR 33 8.643 11.941 1.592 214 3HG2 THR 33 3HG2 THR 33 8.860 10.688 0.370 215 H GLY 34 H GLY 34 6.154 7.582 2.313 216 1HA GLY 34 1HA GLY 34 6.646 5.599 4.260 217 2HA GLY 34 2HA GLY 34 6.093 7.064 5.058 218 H ARG 35 H ARG 35 5.010 6.296 1.858 219 HA ARG 35 HA ARG 35 2.911 6.071 1.016 220 1HB ARG 35 2HB ARG 35 1.872 3.994 1.511 221 2HB ARG 35 1HB ARG 35 3.605 3.740 1.645 222 1HG ARG 35 2HG ARG 35 3.513 3.644 3.995 223 2HG ARG 35 1HG ARG 35 1.875 4.300 4.035 224 1HD ARG 35 2HD ARG 35 2.722 1.603 2.989 225 2HD ARG 35 1HD ARG 35 1.800 1.927 4.455 226 HE ARG 35 HE ARG 35 0.706 2.708 1.847 227 1HH1 ARG 35 1HH1 ARG 35 0.536 0.770 4.737 228 2HH1 ARG 35 2HH1 ARG 35 -1.082 0.230 4.434 229 1HH2 ARG 35 1HH2 ARG 35 -1.422 2.004 1.440 230 2HH2 ARG 35 2HH2 ARG 35 -2.194 0.931 2.561 231 H TRP 36 H TRP 36 3.147 7.981 3.242 232 HA TRP 36 HA TRP 36 1.045 7.868 5.046 233 1HB TRP 36 2HB TRP 36 2.096 10.354 3.676 234 2HB TRP 36 1HB TRP 36 1.234 10.292 5.209 235 HD1 TRP 36 HD1 TRP 36 4.670 9.785 3.686 236 HE1 TRP 36 HE1 TRP 36 6.388 9.455 5.573 237 HE3 TRP 36 HE3 TRP 36 1.460 9.346 7.640 238 HZ2 TRP 36 HZ2 TRP 36 6.384 9.059 8.368 239 HZ3 TRP 36 HZ3 TRP 36 2.397 8.993 9.887 240 HH2 TRP 36 HH2 TRP 36 4.810 8.852 10.242 241 H ARG 37 H ARG 37 1.090 9.052 1.715 242 HA ARG 37 HA ARG 37 -1.610 9.950 1.711 243 1HB ARG 37 2HB ARG 37 -1.334 10.004 -0.760 244 2HB ARG 37 1HB ARG 37 -0.055 10.849 0.103 245 1HG ARG 37 2HG ARG 37 1.387 8.859 -0.166 246 2HG ARG 37 1HG ARG 37 0.113 8.109 -1.130 247 1HD ARG 37 2HD ARG 37 1.515 10.701 -1.773 248 2HD ARG 37 1HD ARG 37 1.832 9.144 -2.536 249 HE ARG 37 HE ARG 37 -0.858 9.605 -2.877 250 1HH1 ARG 37 1HH1 ARG 37 2.104 11.225 -3.739 251 2HH1 ARG 37 2HH1 ARG 37 1.447 11.938 -5.175 252 1HH2 ARG 37 1HH2 ARG 37 -1.730 10.538 -4.765 253 2HH2 ARG 37 2HH2 ARG 37 -0.732 11.548 -5.758 254 H ASP 38 H ASP 38 -0.054 6.888 1.151 255 HA ASP 38 HA ASP 38 -2.206 5.628 -0.208 256 1HB ASP 38 2HB ASP 38 0.065 4.443 1.405 257 2HB ASP 38 1HB ASP 38 -1.038 3.514 0.393 258 H VAL 39 H VAL 39 -1.082 5.380 3.166 259 HA VAL 39 HA VAL 39 -3.221 3.829 4.096 260 HB VAL 39 HB VAL 39 -1.134 4.149 5.364 261 1HG1 VAL 39 1HG1 VAL 39 -0.755 6.505 4.916 262 2HG1 VAL 39 2HG1 VAL 39 -2.177 6.933 5.869 263 3HG1 VAL 39 3HG1 VAL 39 -0.776 6.204 6.655 264 1HG2 VAL 39 1HG2 VAL 39 -3.608 5.017 6.853 265 2HG2 VAL 39 2HG2 VAL 39 -3.099 3.357 6.545 266 3HG2 VAL 39 3HG2 VAL 39 -2.134 4.395 7.594 267 H LYS 40 H LYS 40 -2.956 7.222 3.430 268 HA LYS 40 HA LYS 40 -5.143 8.121 4.984 269 1HB LYS 40 2HB LYS 40 -3.572 9.215 2.691 270 2HB LYS 40 1HB LYS 40 -5.088 9.993 3.123 271 1HG LYS 40 2HG LYS 40 -2.894 9.498 5.114 272 2HG LYS 40 1HG LYS 40 -2.993 10.964 4.136 273 1HD LYS 40 2HD LYS 40 -5.302 11.308 5.040 274 2HD LYS 40 1HD LYS 40 -5.011 9.956 6.137 275 1HE LYS 40 2HE LYS 40 -3.134 11.138 7.127 276 2HE LYS 40 1HE LYS 40 -3.353 12.471 5.994 277 1HZ LYS 40 1HZ LYS 40 -4.323 12.964 8.151 278 2HZ LYS 40 2HZ LYS 40 -5.325 11.607 8.040 279 3HZ LYS 40 3HZ LYS 40 -5.522 12.893 6.960 280 H LEU 41 H LEU 41 -4.893 7.361 1.503 281 HA LEU 41 HA LEU 41 -7.832 7.180 1.433 282 1HB LEU 41 2HB LEU 41 -5.848 7.994 -0.673 283 2HB LEU 41 1HB LEU 41 -7.470 7.486 -1.092 284 HG LEU 41 HG LEU 41 -7.395 9.884 -1.057 285 1HD1 LEU 41 1HD1 LEU 41 -8.798 8.870 1.410 286 2HD1 LEU 41 2HD1 LEU 41 -9.444 8.852 -0.231 287 3HD1 LEU 41 3HD1 LEU 41 -9.129 10.390 0.578 288 1HD2 LEU 41 1HD2 LEU 41 -6.764 11.172 0.885 289 2HD2 LEU 41 2HD2 LEU 41 -5.433 10.113 0.415 290 3HD2 LEU 41 3HD2 LEU 41 -6.447 9.697 1.797 291 H CYS 42 H CYS 42 -5.866 5.046 2.147 292 HA CYS 42 HA CYS 42 -5.415 3.209 0.136 293 1HB CYS 42 2HB CYS 42 -4.586 2.910 2.426 294 2HB CYS 42 1HB CYS 42 -6.229 2.639 2.997 295 HG CYS 42 HG CYS 42 -4.169 0.382 2.291 296 H ALA 43 H ALA 43 -8.292 3.652 2.110 297 HA ALA 43 HA ALA 43 -10.149 3.036 0.117 298 1HB ALA 43 1HB ALA 43 -9.249 0.773 0.199 299 2HB ALA 43 2HB ALA 43 -9.564 0.697 1.932 300 3HB ALA 43 3HB ALA 43 -10.909 0.803 0.795 301 H PHE 44 H PHE 44 -9.600 4.678 2.567 302 HA PHE 44 HA PHE 44 -10.808 5.754 4.153 303 1HB PHE 44 2HB PHE 44 -12.684 5.533 2.446 304 2HB PHE 44 1HB PHE 44 -13.182 4.076 3.299 305 HD1 PHE 44 HD1 PHE 44 -12.480 7.684 3.901 306 HD2 PHE 44 HD2 PHE 44 -14.719 4.240 5.009 307 HE1 PHE 44 HE1 PHE 44 -13.811 9.054 5.450 308 HE2 PHE 44 HE2 PHE 44 -16.057 5.603 6.560 309 HZ PHE 44 HZ PHE 44 -15.606 8.015 6.778 310 H GLU 45 H GLU 45 -9.724 2.860 4.137 311 HA GLU 45 HA GLU 45 -11.079 1.708 6.396 312 1HB GLU 45 2HB GLU 45 -8.679 0.795 4.809 313 2HB GLU 45 1HB GLU 45 -9.376 -0.112 6.146 314 1HG GLU 45 2HG GLU 45 -10.796 0.623 3.596 315 2HG GLU 45 1HG GLU 45 -10.110 -0.955 3.977 316 H ASP 46 H ASP 46 -7.831 2.961 5.677 317 HA ASP 46 HA ASP 46 -7.321 3.076 8.575 318 1HB ASP 46 2HB ASP 46 -5.359 3.122 6.271 319 2HB ASP 46 1HB ASP 46 -4.930 3.199 7.978 320 H ALA 47 H ALA 47 -8.853 5.008 6.900 321 HA ALA 47 HA ALA 47 -7.321 7.352 6.516 322 1HB ALA 47 1HB ALA 47 -9.480 6.981 5.425 323 2HB ALA 47 2HB ALA 47 -10.288 7.093 6.988 324 3HB ALA 47 3HB ALA 47 -9.461 8.500 6.321 325 H ASP 48 H ASP 48 -8.144 5.799 9.342 326 HA ASP 48 HA ASP 48 -8.133 8.294 10.903 327 1HB ASP 48 2HB ASP 48 -9.044 5.524 11.712 328 2HB ASP 48 1HB ASP 48 -9.070 6.947 12.749 329 H HIS 49 H HIS 49 -6.136 5.893 9.866 330 HA HIS 49 HA HIS 49 -4.037 5.218 10.408 331 1HB HIS 49 2HB HIS 49 -4.071 7.434 12.462 332 2HB HIS 49 1HB HIS 49 -2.655 6.650 11.774 333 HD1 HIS 49 HD1 HIS 49 -4.795 9.529 11.355 334 HD2 HIS 49 HD2 HIS 49 -2.405 7.203 8.878 335 HE1 HIS 49 HE1 HIS 49 -4.411 10.917 9.296 336 HE2 HIS 49 HE2 HIS 49 -3.036 9.455 7.773 337 H ARG 50 H ARG 50 -3.894 3.297 11.336 338 HA ARG 50 HA ARG 50 -5.011 2.874 13.997 339 1HB ARG 50 2HB ARG 50 -5.563 1.270 12.214 340 2HB ARG 50 1HB ARG 50 -3.855 0.894 12.024 341 1HG ARG 50 2HG ARG 50 -3.783 0.000 14.283 342 2HG ARG 50 1HG ARG 50 -5.482 0.416 14.515 343 1HD ARG 50 2HD ARG 50 -6.097 -1.099 12.693 344 2HD ARG 50 1HD ARG 50 -4.398 -1.514 12.465 345 HE ARG 50 HE ARG 50 -4.934 -2.063 15.101 346 1HH1 ARG 50 1HH1 ARG 50 -6.199 -3.092 12.020 347 2HH1 ARG 50 2HH1 ARG 50 -6.650 -4.665 12.587 348 1HH2 ARG 50 1HH2 ARG 50 -5.523 -4.132 15.853 349 2HH2 ARG 50 2HH2 ARG 50 -6.265 -5.257 14.765 350 H THR 51 H THR 51 -2.015 1.818 12.360 351 HA THR 51 HA THR 51 -0.375 2.792 14.523 352 HB THR 51 HB THR 51 -0.418 -0.194 14.057 353 HG1 THR 51 HG1 THR 51 -1.534 1.310 16.207 354 1HG2 THR 51 1HG2 THR 51 0.891 -0.203 16.182 355 2HG2 THR 51 2HG2 THR 51 0.966 1.557 16.085 356 3HG2 THR 51 3HG2 THR 51 1.718 0.570 14.831 357 H TYR 52 H TYR 52 1.914 2.615 14.040 358 HA TYR 52 HA TYR 52 2.493 3.001 11.330 359 1HB TYR 52 2HB TYR 52 4.797 3.180 11.947 360 2HB TYR 52 1HB TYR 52 3.834 3.925 13.211 361 HD1 TYR 52 HD1 TYR 52 3.091 1.806 14.994 362 HD2 TYR 52 HD2 TYR 52 6.709 2.277 12.809 363 HE1 TYR 52 HE1 TYR 52 4.272 0.474 16.681 364 HE2 TYR 52 HE2 TYR 52 7.903 0.936 14.489 365 HH TYR 52 HH TYR 52 7.655 0.302 16.852 366 H VAL 53 H VAL 53 3.096 0.143 13.379 367 HA VAL 53 HA VAL 53 4.222 -1.337 11.193 368 HB VAL 53 HB VAL 53 3.366 -2.164 13.964 369 1HG1 VAL 53 1HG1 VAL 53 4.399 -4.359 13.479 370 2HG1 VAL 53 2HG1 VAL 53 2.949 -4.064 12.519 371 3HG1 VAL 53 3HG1 VAL 53 4.544 -3.890 11.785 372 1HG2 VAL 53 1HG2 VAL 53 5.716 -2.406 14.367 373 2HG2 VAL 53 2HG2 VAL 53 6.087 -2.116 12.666 374 3HG2 VAL 53 3HG2 VAL 53 5.438 -0.815 13.663 375 H ASP 54 H ASP 54 1.082 -1.273 12.848 376 HA ASP 54 HA ASP 54 -0.107 -3.427 11.525 377 1HB ASP 54 2HB ASP 54 -1.302 -0.893 12.653 378 2HB ASP 54 1HB ASP 54 -2.282 -2.197 11.991 379 H LEU 55 H LEU 55 -0.260 0.039 10.702 380 HA LEU 55 HA LEU 55 -1.644 -0.271 8.290 381 1HB LEU 55 2HB LEU 55 -1.443 1.965 8.124 382 2HB LEU 55 1HB LEU 55 -0.784 1.857 9.739 383 HG LEU 55 HG LEU 55 1.503 1.587 8.423 384 1HD1 LEU 55 1HD1 LEU 55 -0.234 3.131 6.503 385 2HD1 LEU 55 2HD1 LEU 55 0.530 1.573 6.202 386 3HD1 LEU 55 3HD1 LEU 55 1.524 3.013 6.422 387 1HD2 LEU 55 1HD2 LEU 55 0.081 4.215 8.822 388 2HD2 LEU 55 2HD2 LEU 55 1.821 4.002 8.638 389 3HD2 LEU 55 3HD2 LEU 55 0.995 3.330 10.045 390 H LYS 56 H LYS 56 1.757 -0.492 9.104 391 HA LYS 56 HA LYS 56 2.745 -0.630 6.454 392 1HB LYS 56 2HB LYS 56 4.181 -0.117 8.389 393 2HB LYS 56 1HB LYS 56 3.929 -1.744 9.005 394 1HG LYS 56 2HG LYS 56 6.095 -1.517 7.908 395 2HG LYS 56 1HG LYS 56 5.063 -2.678 7.073 396 1HD LYS 56 2HD LYS 56 6.217 -1.260 5.471 397 2HD LYS 56 1HD LYS 56 4.480 -0.956 5.419 398 1HE LYS 56 2HE LYS 56 5.766 1.125 5.327 399 2HE LYS 56 1HE LYS 56 4.774 1.040 6.782 400 1HZ LYS 56 1HZ LYS 56 7.685 0.466 6.625 401 2HZ LYS 56 2HZ LYS 56 6.740 0.353 8.023 402 3HZ LYS 56 3HZ LYS 56 6.981 1.855 7.287 403 H ASP 57 H ASP 57 1.320 -2.938 8.630 404 HA ASP 57 HA ASP 57 2.165 -5.287 7.301 405 1HB ASP 57 2HB ASP 57 -0.141 -4.726 9.168 406 2HB ASP 57 1HB ASP 57 0.174 -6.326 8.507 407 H LYS 58 H LYS 58 -0.712 -3.241 7.061 408 HA LYS 58 HA LYS 58 -2.089 -4.805 5.165 409 1HB LYS 58 2HB LYS 58 -2.206 -1.912 5.956 410 2HB LYS 58 1HB LYS 58 -3.124 -2.480 4.570 411 1HG LYS 58 2HG LYS 58 -4.556 -2.473 6.477 412 2HG LYS 58 1HG LYS 58 -4.217 -4.150 6.047 413 1HD LYS 58 2HD LYS 58 -2.527 -4.262 7.812 414 2HD LYS 58 1HD LYS 58 -2.855 -2.581 8.237 415 1HE LYS 58 2HE LYS 58 -5.161 -3.179 8.799 416 2HE LYS 58 1HE LYS 58 -4.828 -4.858 8.379 417 1HZ LYS 58 1HZ LYS 58 -4.701 -4.502 10.762 418 2HZ LYS 58 2HZ LYS 58 -3.505 -3.326 10.552 419 3HZ LYS 58 3HZ LYS 58 -3.185 -4.937 10.149 420 H TRP 59 H TRP 59 0.452 -2.434 4.922 421 HA TRP 59 HA TRP 59 0.336 -2.070 2.102 422 1HB TRP 59 2HB TRP 59 1.457 -0.332 3.101 423 2HB TRP 59 1HB TRP 59 2.198 -1.362 4.315 424 HD1 TRP 59 HD1 TRP 59 4.471 -2.637 3.607 425 HE1 TRP 59 HE1 TRP 59 6.263 -2.028 1.859 426 HE3 TRP 59 HE3 TRP 59 1.784 0.696 0.819 427 HZ2 TRP 59 HZ2 TRP 59 6.500 -0.360 -0.408 428 HZ3 TRP 59 HZ3 TRP 59 2.864 1.755 -1.121 429 HH2 TRP 59 HH2 TRP 59 5.172 1.237 -1.719 430 H LYS 60 H LYS 60 2.330 -4.062 4.248 431 HA LYS 60 HA LYS 60 3.908 -5.299 2.296 432 1HB LYS 60 2HB LYS 60 4.392 -5.410 4.708 433 2HB LYS 60 1HB LYS 60 2.972 -6.420 4.947 434 1HG LYS 60 2HG LYS 60 4.485 -7.683 2.955 435 2HG LYS 60 1HG LYS 60 5.634 -7.169 4.192 436 1HD LYS 60 2HD LYS 60 4.887 -9.365 4.762 437 2HD LYS 60 1HD LYS 60 4.150 -8.237 5.901 438 1HE LYS 60 2HE LYS 60 2.067 -8.302 4.665 439 2HE LYS 60 1HE LYS 60 2.796 -9.340 3.439 440 1HZ LYS 60 1HZ LYS 60 1.495 -10.651 4.959 441 2HZ LYS 60 2HZ LYS 60 2.339 -10.039 6.290 442 3HZ LYS 60 3HZ LYS 60 3.132 -11.030 5.169 443 H THR 61 H THR 61 0.664 -5.924 3.404 444 HA THR 61 HA THR 61 0.456 -8.453 1.987 445 HB THR 61 HB THR 61 -1.655 -6.827 3.431 446 HG1 THR 61 HG1 THR 61 0.295 -8.322 4.379 447 1HG2 THR 61 1HG2 THR 61 -3.002 -8.893 3.335 448 2HG2 THR 61 2HG2 THR 61 -1.767 -9.631 2.312 449 3HG2 THR 61 3HG2 THR 61 -2.675 -8.233 1.731 450 H LEU 62 H LEU 62 -0.189 -5.116 1.545 451 HA LEU 62 HA LEU 62 -2.077 -5.225 -0.535 452 1HB LEU 62 2HB LEU 62 -1.943 -3.132 0.352 453 2HB LEU 62 1HB LEU 62 -0.217 -3.238 0.621 454 HG LEU 62 HG LEU 62 0.063 -2.918 -1.882 455 1HD1 LEU 62 1HD1 LEU 62 -2.818 -2.068 -1.652 456 2HD1 LEU 62 2HD1 LEU 62 -2.234 -3.488 -2.516 457 3HD1 LEU 62 3HD1 LEU 62 -1.784 -1.875 -3.067 458 1HD2 LEU 62 1HD2 LEU 62 -1.179 -0.729 -0.226 459 2HD2 LEU 62 2HD2 LEU 62 -0.230 -0.490 -1.691 460 3HD2 LEU 62 3HD2 LEU 62 0.525 -1.181 -0.252 461 H VAL 63 H VAL 63 1.421 -5.443 -0.451 462 HA VAL 63 HA VAL 63 1.611 -5.491 -3.354 463 HB VAL 63 HB VAL 63 4.053 -5.804 -2.959 464 1HG1 VAL 63 1HG1 VAL 63 2.787 -3.463 -1.540 465 2HG1 VAL 63 2HG1 VAL 63 4.454 -3.540 -2.109 466 3HG1 VAL 63 3HG1 VAL 63 3.125 -3.578 -3.266 467 1HG2 VAL 63 1HG2 VAL 63 3.276 -5.517 -0.057 468 2HG2 VAL 63 2HG2 VAL 63 3.963 -6.950 -0.819 469 3HG2 VAL 63 3HG2 VAL 63 4.925 -5.478 -0.682 470 H HIS 64 H HIS 64 2.060 -7.661 -0.596 471 HA HIS 64 HA HIS 64 2.972 -9.927 -1.904 472 1HB HIS 64 2HB HIS 64 3.017 -10.096 0.407 473 2HB HIS 64 1HB HIS 64 1.391 -9.450 0.591 474 HD1 HIS 64 HD1 HIS 64 3.211 -12.641 -0.241 475 HD2 HIS 64 HD2 HIS 64 -0.629 -11.332 0.661 476 HE1 HIS 64 HE1 HIS 64 1.857 -14.729 0.130 477 HE2 HIS 64 HE2 HIS 64 -0.438 -13.910 0.764 478 H THR 65 H THR 65 -0.305 -8.706 -1.538 479 HA THR 65 HA THR 65 -1.502 -11.013 -2.794 480 HB THR 65 HB THR 65 -2.785 -8.347 -2.165 481 HG1 THR 65 HG1 THR 65 -2.832 -10.720 -0.593 482 1HG2 THR 65 1HG2 THR 65 -3.965 -11.086 -2.644 483 2HG2 THR 65 2HG2 THR 65 -4.072 -9.701 -3.731 484 3HG2 THR 65 3HG2 THR 65 -4.871 -9.651 -2.161 485 H ALA 66 H ALA 66 -0.135 -8.043 -3.831 486 HA ALA 66 HA ALA 66 -1.595 -7.448 -6.116 487 1HB ALA 66 1HB ALA 66 0.373 -6.287 -6.921 488 2HB ALA 66 2HB ALA 66 0.167 -6.006 -5.190 489 3HB ALA 66 3HB ALA 66 1.383 -7.148 -5.759 490 H LYS 67 H LYS 67 1.616 -8.961 -6.348 491 HA LYS 67 HA LYS 67 0.676 -11.181 -7.871 492 1HB LYS 67 2HB LYS 67 1.777 -10.568 -10.002 493 2HB LYS 67 1HB LYS 67 0.427 -9.513 -9.608 494 1HG LYS 67 2HG LYS 67 1.989 -7.814 -8.802 495 2HG LYS 67 1HG LYS 67 3.341 -8.873 -9.205 496 1HD LYS 67 2HD LYS 67 2.677 -8.827 -11.559 497 2HD LYS 67 1HD LYS 67 1.314 -7.781 -11.157 498 1HE LYS 67 2HE LYS 67 4.232 -7.116 -10.777 499 2HE LYS 67 1HE LYS 67 3.191 -6.499 -12.060 500 1HZ LYS 67 1HZ LYS 67 3.419 -4.902 -10.265 501 2HZ LYS 67 2HZ LYS 67 2.818 -6.024 -9.151 502 3HZ LYS 67 3HZ LYS 67 1.817 -5.434 -10.380 503 H ILE 68 H ILE 68 2.460 -10.475 -5.610 504 HA ILE 68 HA ILE 68 5.157 -10.804 -6.256 505 HB ILE 68 HB ILE 68 3.628 -11.548 -3.761 506 1HG1 ILE 68 2HG1 ILE 68 3.738 -9.151 -4.305 507 2HG1 ILE 68 1HG1 ILE 68 4.646 -9.524 -2.845 508 1HG2 ILE 68 1HG2 ILE 68 5.828 -11.684 -2.634 509 2HG2 ILE 68 2HG2 ILE 68 6.611 -11.577 -4.212 510 3HG2 ILE 68 3HG2 ILE 68 5.583 -12.958 -3.829 511 1HD1 ILE 68 1HD1 ILE 68 5.817 -9.077 -5.582 512 2HD1 ILE 68 2HD1 ILE 68 6.726 -9.440 -4.115 513 3HD1 ILE 68 3HD1 ILE 68 5.826 -7.929 -4.243 514 H SER 69 H SER 69 2.562 -13.111 -5.996 515 HA SER 69 HA SER 69 2.454 -15.380 -6.224 516 1HB SER 69 2HB SER 69 2.932 -14.716 -8.533 517 2HB SER 69 1HB SER 69 4.664 -14.789 -8.207 518 HG SER 69 HG SER 69 4.151 -16.722 -9.111 519 HA PRO 70 HA PRO 70 6.221 -16.227 -3.609 520 1HB PRO 70 2HB PRO 70 4.989 -16.684 -1.266 521 2HB PRO 70 1HB PRO 70 5.384 -15.049 -1.809 522 1HG PRO 70 2HG PRO 70 2.768 -16.493 -1.895 523 2HG PRO 70 1HG PRO 70 3.103 -14.802 -1.483 524 1HD PRO 70 2HD PRO 70 2.190 -15.641 -3.934 525 2HD PRO 70 1HD PRO 70 3.109 -14.146 -3.671 526 H GLN 71 H GLN 71 3.721 -17.863 -4.930 527 HA GLN 71 HA GLN 71 3.682 -20.298 -3.492 528 1HB GLN 71 2HB GLN 71 2.650 -21.235 -5.541 529 2HB GLN 71 1HB GLN 71 1.883 -19.746 -5.006 530 1HG GLN 71 2HG GLN 71 3.115 -18.501 -6.709 531 2HG GLN 71 1HG GLN 71 3.882 -19.995 -7.245 532 1HE2 GLN 71 1HE2 GLN 71 0.941 -18.149 -7.153 533 2HE2 GLN 71 2HE2 GLN 71 0.085 -19.070 -8.337 534 H GLN 72 H GLN 72 5.616 -19.139 -6.204 535 HA GLN 72 HA GLN 72 7.529 -19.896 -7.165 536 1HB GLN 72 2HB GLN 72 7.781 -21.480 -4.604 537 2HB GLN 72 1HB GLN 72 9.068 -21.234 -5.776 538 1HG GLN 72 2HG GLN 72 8.991 -18.831 -5.359 539 2HG GLN 72 1HG GLN 72 7.698 -19.076 -4.186 540 1HE2 GLN 72 1HE2 GLN 72 8.880 -21.553 -3.182 541 2HE2 GLN 72 2HE2 GLN 72 10.225 -21.078 -2.207 542 H ARG 73 H ARG 73 4.884 -21.625 -6.975 543 HA ARG 73 HA ARG 73 4.075 -23.487 -7.988 544 1HB ARG 73 2HB ARG 73 6.756 -23.501 -9.383 545 2HB ARG 73 1HB ARG 73 5.352 -24.445 -9.863 546 1HG ARG 73 2HG ARG 73 4.113 -22.356 -10.260 547 2HG ARG 73 1HG ARG 73 5.566 -21.443 -9.850 548 1HD ARG 73 2HD ARG 73 5.278 -23.412 -12.118 549 2HD ARG 73 1HD ARG 73 5.318 -21.655 -12.266 550 HE ARG 73 HE ARG 73 7.643 -22.337 -10.967 551 1HH1 ARG 73 1HH1 ARG 73 6.149 -23.109 -14.021 552 2HH1 ARG 73 2HH1 ARG 73 7.654 -23.340 -14.843 553 1HH2 ARG 73 1HH2 ARG 73 9.628 -22.641 -12.045 554 2HH2 ARG 73 2HH2 ARG 73 9.632 -23.076 -13.721 555 H ARG 74 H ARG 74 3.742 -25.283 -6.899 556 HA ARG 74 HA ARG 74 4.049 -27.196 -5.719 557 1HB ARG 74 2HB ARG 74 6.643 -27.182 -7.259 558 2HB ARG 74 1HB ARG 74 6.164 -28.502 -6.204 559 1HG ARG 74 2HG ARG 74 5.537 -29.205 -8.330 560 2HG ARG 74 1HG ARG 74 4.035 -28.621 -7.612 561 1HD ARG 74 2HD ARG 74 4.262 -27.851 -9.913 562 2HD ARG 74 1HD ARG 74 4.296 -26.495 -8.787 563 HE ARG 74 HE ARG 74 6.893 -26.943 -9.096 564 1HH1 ARG 74 1HH1 ARG 74 4.344 -26.809 -11.469 565 2HH1 ARG 74 2HH1 ARG 74 5.377 -26.231 -12.734 566 1HH2 ARG 74 1HH2 ARG 74 8.259 -26.181 -10.755 567 2HH2 ARG 74 2HH2 ARG 74 7.601 -25.875 -12.328 568 H GLY 75 H GLY 75 4.123 -26.823 -3.601 569 1HA GLY 75 1HA GLY 75 5.126 -26.774 -1.510 570 2HA GLY 75 2HA GLY 75 6.691 -26.649 -2.296 571 H GLU 76 H GLU 76 5.794 -25.179 -0.002 572 HA GLU 76 HA GLU 76 6.533 -22.551 -0.856 573 1HB GLU 76 2HB GLU 76 4.136 -22.510 -1.410 574 2HB GLU 76 1HB GLU 76 3.747 -22.952 0.246 575 1HG GLU 76 2HG GLU 76 4.726 -20.862 1.039 576 2HG GLU 76 1HG GLU 76 5.123 -20.419 -0.622 577 HA PRO 77 HA PRO 77 7.949 -23.343 3.386 578 1HB PRO 77 2HB PRO 77 9.958 -21.519 3.351 579 2HB PRO 77 1HB PRO 77 10.110 -23.125 2.637 580 1HG PRO 77 2HG PRO 77 9.548 -20.507 1.309 581 2HG PRO 77 1HG PRO 77 10.613 -21.824 0.783 582 1HD PRO 77 2HD PRO 77 8.124 -21.436 -0.236 583 2HD PRO 77 1HD PRO 77 8.878 -23.038 -0.109 584 H VAL 78 H VAL 78 8.824 -20.009 2.829 585 HA VAL 78 HA VAL 78 6.498 -19.035 4.296 586 HB VAL 78 HB VAL 78 8.079 -19.510 6.071 587 1HG1 VAL 78 1HG1 VAL 78 9.994 -17.716 4.585 588 2HG1 VAL 78 2HG1 VAL 78 10.264 -18.417 6.180 589 3HG1 VAL 78 3HG1 VAL 78 10.139 -19.466 4.767 590 1HG2 VAL 78 1HG2 VAL 78 8.250 -17.282 7.074 591 2HG2 VAL 78 2HG2 VAL 78 7.906 -16.551 5.506 592 3HG2 VAL 78 3HG2 VAL 78 6.679 -17.530 6.311 593 HA PRO 79 HA PRO 79 7.148 -15.816 1.269 594 1HB PRO 79 2HB PRO 79 5.134 -14.179 1.979 595 2HB PRO 79 1HB PRO 79 4.845 -15.724 1.168 596 1HG PRO 79 2HG PRO 79 4.629 -15.041 4.075 597 2HG PRO 79 1HG PRO 79 3.538 -16.011 3.071 598 1HD PRO 79 2HD PRO 79 5.400 -17.095 4.745 599 2HD PRO 79 1HD PRO 79 4.834 -17.895 3.265 600 H GLN 80 H GLN 80 9.193 -15.164 2.185 601 HA GLN 80 HA GLN 80 9.108 -13.028 4.181 602 1HB GLN 80 2HB GLN 80 11.373 -14.618 2.979 603 2HB GLN 80 1HB GLN 80 11.629 -13.248 4.050 604 1HG GLN 80 2HG GLN 80 10.134 -15.767 4.743 605 2HG GLN 80 1HG GLN 80 11.780 -15.375 5.233 606 1HE2 GLN 80 1HE2 GLN 80 8.408 -14.682 5.687 607 2HE2 GLN 80 2HE2 GLN 80 8.579 -13.778 7.148 608 H GLU 81 H GLU 81 9.599 -13.573 0.819 609 HA GLU 81 HA GLU 81 11.106 -11.452 -0.032 610 1HB GLU 81 2HB GLU 81 8.703 -12.766 -1.279 611 2HB GLU 81 1HB GLU 81 9.632 -11.529 -2.110 612 1HG GLU 81 2HG GLU 81 10.701 -14.159 -1.110 613 2HG GLU 81 1HG GLU 81 10.300 -13.774 -2.782 614 H LEU 82 H LEU 82 7.764 -11.409 1.027 615 HA LEU 82 HA LEU 82 7.112 -8.844 0.070 616 1HB LEU 82 2HB LEU 82 5.669 -9.444 2.440 617 2HB LEU 82 1HB LEU 82 5.090 -9.425 0.793 618 HG LEU 82 HG LEU 82 6.414 -11.816 2.080 619 1HD1 LEU 82 1HD1 LEU 82 3.497 -11.114 1.852 620 2HD1 LEU 82 2HD1 LEU 82 4.427 -11.363 3.330 621 3HD1 LEU 82 3HD1 LEU 82 4.107 -12.719 2.249 622 1HD2 LEU 82 1HD2 LEU 82 5.390 -13.034 0.223 623 2HD2 LEU 82 2HD2 LEU 82 6.482 -11.781 -0.363 624 3HD2 LEU 82 3HD2 LEU 82 4.739 -11.523 -0.412 625 H LEU 83 H LEU 83 7.822 -9.920 3.400 626 HA LEU 83 HA LEU 83 7.969 -7.357 4.515 627 1HB LEU 83 2HB LEU 83 9.128 -10.004 5.341 628 2HB LEU 83 1HB LEU 83 9.392 -8.552 6.288 629 HG LEU 83 HG LEU 83 6.656 -9.644 5.626 630 1HD1 LEU 83 1HD1 LEU 83 6.610 -10.450 7.936 631 2HD1 LEU 83 2HD1 LEU 83 8.292 -9.962 8.140 632 3HD1 LEU 83 3HD1 LEU 83 7.877 -11.242 6.999 633 1HD2 LEU 83 1HD2 LEU 83 7.591 -7.555 7.594 634 2HD2 LEU 83 2HD2 LEU 83 5.936 -8.141 7.424 635 3HD2 LEU 83 3HD2 LEU 83 6.697 -7.257 6.103 636 H ASN 84 H ASN 84 10.261 -9.184 2.674 637 HA ASN 84 HA ASN 84 12.593 -7.765 3.484 638 1HB ASN 84 2HB ASN 84 12.732 -9.990 2.464 639 2HB ASN 84 1HB ASN 84 12.058 -9.358 0.965 640 1HD2 ASN 84 1HD2 ASN 84 13.850 -9.955 -0.228 641 2HD2 ASN 84 2HD2 ASN 84 15.361 -9.128 -0.105 642 H ARG 85 H ARG 85 10.514 -7.554 0.595 643 HA ARG 85 HA ARG 85 11.907 -5.306 -0.474 644 1HB ARG 85 2HB ARG 85 10.115 -5.203 -2.116 645 2HB ARG 85 1HB ARG 85 10.656 -6.862 -1.904 646 1HG ARG 85 2HG ARG 85 8.721 -7.318 -0.489 647 2HG ARG 85 1HG ARG 85 8.180 -5.650 -0.690 648 1HD ARG 85 2HD ARG 85 8.508 -7.693 -2.886 649 2HD ARG 85 1HD ARG 85 6.979 -7.153 -2.192 650 HE ARG 85 HE ARG 85 7.799 -4.855 -3.045 651 1HH1 ARG 85 1HH1 ARG 85 8.334 -7.920 -4.616 652 2HH1 ARG 85 2HH1 ARG 85 8.392 -7.240 -6.208 653 1HH2 ARG 85 1HH2 ARG 85 7.873 -3.952 -5.139 654 2HH2 ARG 85 2HH2 ARG 85 8.130 -4.986 -6.505 655 H VAL 86 H VAL 86 9.458 -5.672 1.896 656 HA VAL 86 HA VAL 86 8.316 -3.057 1.608 657 HB VAL 86 HB VAL 86 8.095 -5.175 3.733 658 1HG1 VAL 86 1HG1 VAL 86 6.875 -2.416 3.752 659 2HG1 VAL 86 2HG1 VAL 86 6.360 -3.745 4.792 660 3HG1 VAL 86 3HG1 VAL 86 7.993 -3.095 4.937 661 1HG2 VAL 86 1HG2 VAL 86 6.057 -3.960 1.871 662 2HG2 VAL 86 2HG2 VAL 86 6.896 -5.487 1.599 663 3HG2 VAL 86 3HG2 VAL 86 5.804 -5.313 2.970 664 H LEU 87 H LEU 87 10.259 -4.511 4.237 665 HA LEU 87 HA LEU 87 10.809 -2.078 5.520 666 1HB LEU 87 2HB LEU 87 11.840 -4.840 5.653 667 2HB LEU 87 1HB LEU 87 12.937 -3.601 6.229 668 HG LEU 87 HG LEU 87 11.621 -4.579 8.053 669 1HD1 LEU 87 1HD1 LEU 87 12.387 -2.279 8.253 670 2HD1 LEU 87 2HD1 LEU 87 10.827 -2.493 9.045 671 3HD1 LEU 87 3HD1 LEU 87 10.915 -1.708 7.468 672 1HD2 LEU 87 1HD2 LEU 87 9.240 -3.454 6.581 673 2HD2 LEU 87 2HD2 LEU 87 9.213 -4.136 8.207 674 3HD2 LEU 87 3HD2 LEU 87 9.606 -5.161 6.826 675 H ASN 88 H ASN 88 12.274 -3.623 2.778 676 HA ASN 88 HA ASN 88 14.707 -2.123 2.814 677 1HB ASN 88 2HB ASN 88 14.474 -4.305 1.649 678 2HB ASN 88 1HB ASN 88 13.385 -3.547 0.493 679 1HD2 ASN 88 1HD2 ASN 88 16.192 -1.964 1.843 680 2HD2 ASN 88 2HD2 ASN 88 17.109 -1.919 0.379 681 H ALA 89 H ALA 89 11.839 -1.990 0.704 682 HA ALA 89 HA ALA 89 12.505 0.325 -0.685 683 1HB ALA 89 1HB ALA 89 10.688 -1.177 -1.348 684 2HB ALA 89 2HB ALA 89 9.741 -0.639 0.038 685 3HB ALA 89 3HB ALA 89 10.142 0.496 -1.250 686 H HIS 90 H HIS 90 10.781 -0.057 2.380 687 HA HIS 90 HA HIS 90 10.036 2.624 2.732 688 1HB HIS 90 2HB HIS 90 9.110 0.792 4.084 689 2HB HIS 90 1HB HIS 90 10.684 0.545 4.836 690 HD1 HIS 90 HD1 HIS 90 7.727 2.832 4.856 691 HD2 HIS 90 HD2 HIS 90 11.369 2.410 6.813 692 HE1 HIS 90 HE1 HIS 90 7.617 4.390 6.826 693 HE2 HIS 90 HE2 HIS 90 9.797 4.053 8.044 694 H GLY 91 H GLY 91 12.808 0.837 4.083 695 1HA GLY 91 1HA GLY 91 14.087 2.973 5.327 696 2HA GLY 91 2HA GLY 91 14.899 1.535 4.722 697 H TYR 92 H TYR 92 14.050 2.012 1.968 698 HA TYR 92 HA TYR 92 16.239 3.589 1.098 699 1HB TYR 92 2HB TYR 92 15.601 1.919 -0.405 700 2HB TYR 92 1HB TYR 92 13.890 2.294 -0.254 701 HD1 TYR 92 HD1 TYR 92 12.856 3.903 -1.652 702 HD2 TYR 92 HD2 TYR 92 17.072 3.375 -1.791 703 HE1 TYR 92 HE1 TYR 92 12.944 5.243 -3.710 704 HE2 TYR 92 HE2 TYR 92 17.178 4.719 -3.849 705 HH TYR 92 HH TYR 92 15.693 5.381 -5.696 706 H TRP 93 H TRP 93 12.725 4.226 1.187 707 HA TRP 93 HA TRP 93 12.773 6.748 0.001 708 1HB TRP 93 2HB TRP 93 10.977 5.930 2.295 709 2HB TRP 93 1HB TRP 93 10.669 7.197 1.116 710 HD1 TRP 93 HD1 TRP 93 11.540 5.270 -1.436 711 HE1 TRP 93 HE1 TRP 93 9.803 3.540 -2.221 712 HE3 TRP 93 HE3 TRP 93 8.663 5.044 2.781 713 HZ2 TRP 93 HZ2 TRP 93 7.506 2.257 -1.185 714 HZ3 TRP 93 HZ3 TRP 93 6.713 3.546 2.801 715 HH2 TRP 93 HH2 TRP 93 6.147 2.183 0.859 716 H THR 94 H THR 94 12.764 5.997 3.478 717 HA THR 94 HA THR 94 13.219 8.586 4.402 718 HB THR 94 HB THR 94 14.028 7.559 6.493 719 HG1 THR 94 HG1 THR 94 13.719 5.040 5.213 720 1HG2 THR 94 1HG2 THR 94 11.620 7.700 6.095 721 2HG2 THR 94 2HG2 THR 94 12.021 6.244 7.005 722 3HG2 THR 94 3HG2 THR 94 11.653 6.136 5.283 723 H GLN 95 H GLN 95 15.592 5.999 3.801 724 HA GLN 95 HA GLN 95 17.851 7.588 4.417 725 1HB GLN 95 2HB GLN 95 17.542 5.033 2.849 726 2HB GLN 95 1HB GLN 95 19.105 5.790 3.126 727 1HG GLN 95 2HG GLN 95 17.215 4.833 5.266 728 2HG GLN 95 1HG GLN 95 18.658 3.988 4.712 729 1HE2 GLN 95 1HE2 GLN 95 20.179 6.464 4.410 730 2HE2 GLN 95 2HE2 GLN 95 20.593 6.967 6.010 731 H GLN 96 H GLN 96 15.791 7.480 1.708 732 HA GLN 96 HA GLN 96 17.716 8.367 -0.210 733 1HB GLN 96 2HB GLN 96 15.705 7.190 -0.956 734 2HB GLN 96 1HB GLN 96 14.693 8.466 -0.295 735 1HG GLN 96 2HG GLN 96 15.652 10.050 -1.889 736 2HG GLN 96 1HG GLN 96 16.661 8.765 -2.554 737 1HE2 GLN 96 1HE2 GLN 96 15.761 8.960 -4.595 738 2HE2 GLN 96 2HE2 GLN 96 14.159 8.422 -4.957 739 H GLN 97 H GLN 97 15.573 9.801 2.098 740 HA GLN 97 HA GLN 97 15.365 11.907 2.921 741 1HB GLN 97 2HB GLN 97 17.796 12.513 1.227 742 2HB GLN 97 1HB GLN 97 17.137 13.557 2.478 743 1HG GLN 97 2HG GLN 97 17.616 11.859 4.160 744 2HG GLN 97 1HG GLN 97 18.262 10.799 2.908 745 1HE2 GLN 97 1HE2 GLN 97 18.743 14.255 2.923 746 2HE2 GLN 97 2HE2 GLN 97 20.436 14.215 3.267 747 H MET 98 H MET 98 14.415 10.989 0.133 748 HA MET 98 HA MET 98 13.184 11.818 -1.594 749 1HB MET 98 2HB MET 98 11.961 12.706 0.458 750 2HB MET 98 1HB MET 98 12.748 14.244 0.144 751 1HG MET 98 2HG MET 98 11.686 14.360 -2.040 752 2HG MET 98 1HG MET 98 10.925 12.795 -1.763 753 1HE MET 98 1HE MET 98 11.107 16.557 -0.662 754 2HE MET 98 2HE MET 98 11.464 15.705 0.841 755 3HE MET 98 3HE MET 98 9.952 16.596 0.670 756 H GLN 99 H GLN 99 16.094 12.780 -1.094 757 HA GLN 99 HA GLN 99 16.025 14.905 -3.132 758 1HB GLN 99 2HB GLN 99 17.852 14.702 -0.734 759 2HB GLN 99 1HB GLN 99 18.080 15.841 -2.053 760 1HG GLN 99 2HG GLN 99 15.654 15.721 -0.275 761 2HG GLN 99 1HG GLN 99 17.001 16.842 -0.082 762 1HE2 GLN 99 1HE2 GLN 99 17.271 18.510 -1.566 763 2HE2 GLN 99 2HE2 GLN 99 16.007 19.001 -2.636 764 H GLN 100 H GLN 100 16.454 11.896 -3.123 765 HA GLN 100 HA GLN 100 17.721 10.360 -4.211 766 1HB GLN 100 2HB GLN 100 18.650 12.854 -5.632 767 2HB GLN 100 1HB GLN 100 19.149 11.238 -6.109 768 1HG GLN 100 2HG GLN 100 17.374 11.808 -7.529 769 2HG GLN 100 1HG GLN 100 16.700 10.685 -6.348 770 1HE2 GLN 100 1HE2 GLN 100 14.610 11.395 -6.601 771 2HE2 GLN 100 2HE2 GLN 100 14.070 12.942 -6.055 772 H LEU 101 H LEU 101 19.021 9.458 -2.721 773 HA LEU 101 HA LEU 101 21.136 10.679 -1.375 774 1HB LEU 101 2HB LEU 101 20.090 8.592 -0.642 775 2HB LEU 101 1HB LEU 101 20.749 7.760 -2.038 776 HG LEU 101 HG LEU 101 23.041 8.226 -1.177 777 1HD1 LEU 101 1HD1 LEU 101 21.553 9.197 1.258 778 2HD1 LEU 101 2HD1 LEU 101 22.534 10.184 0.176 779 3HD1 LEU 101 3HD1 LEU 101 23.292 8.926 1.153 780 1HD2 LEU 101 1HD2 LEU 101 21.209 6.722 0.689 781 2HD2 LEU 101 2HD2 LEU 101 22.963 6.548 0.601 782 3HD2 LEU 101 3HD2 LEU 101 21.961 6.079 -0.773 783 H GLN 102 H GLN 102 21.133 8.762 -4.357 784 HA GLN 102 HA GLN 102 23.512 10.083 -5.276 785 1HB GLN 102 2HB GLN 102 24.204 8.126 -3.694 786 2HB GLN 102 1HB GLN 102 23.755 7.100 -5.049 787 1HG GLN 102 2HG GLN 102 25.789 9.314 -5.169 788 2HG GLN 102 1HG GLN 102 26.164 7.606 -4.954 789 1HE2 GLN 102 1HE2 GLN 102 25.104 10.055 -7.161 790 2HE2 GLN 102 2HE2 GLN 102 25.250 9.113 -8.603 791 H GLN 103 H GLN 103 21.984 10.644 -6.913 792 HA GLN 103 HA GLN 103 20.947 10.455 -8.927 793 1HB GLN 103 2HB GLN 103 22.994 8.254 -9.179 794 2HB GLN 103 1HB GLN 103 21.964 8.765 -10.510 795 1HG GLN 103 2HG GLN 103 22.900 11.008 -10.387 796 2HG GLN 103 1HG GLN 103 23.911 10.521 -9.028 797 1HE2 GLN 103 1HE2 GLN 103 23.247 8.450 -11.759 798 2HE2 GLN 103 2HE2 GLN 103 24.842 8.478 -12.418 799 H ASN 104 H ASN 104 20.004 8.790 -6.585 800 HA ASN 104 HA ASN 104 18.856 6.437 -7.775 801 1HB ASN 104 2HB ASN 104 18.368 7.773 -5.107 802 2HB ASN 104 1HB ASN 104 17.650 6.241 -5.594 803 1HD2 ASN 104 1HD2 ASN 104 18.950 4.417 -5.769 804 2HD2 ASN 104 2HD2 ASN 104 20.522 4.339 -5.056 805 H VAL 105 H VAL 105 17.789 7.489 -9.563 806 HA VAL 105 HA VAL 105 15.956 8.269 -10.660 807 HB VAL 105 HB VAL 105 14.486 7.732 -8.076 808 1HG1 VAL 105 1HG1 VAL 105 12.529 7.461 -9.533 809 2HG1 VAL 105 2HG1 VAL 105 13.210 9.083 -9.643 810 3HG1 VAL 105 3HG1 VAL 105 13.512 7.910 -10.926 811 1HG2 VAL 105 1HG2 VAL 105 15.706 5.750 -8.784 812 2HG2 VAL 105 2HG2 VAL 105 13.974 5.530 -9.035 813 3HG2 VAL 105 3HG2 VAL 105 15.025 5.890 -10.404 Start of MODEL 3 1 H GLN 9 H GLN 9 -23.375 -9.166 -2.080 2 HA GLN 9 HA GLN 9 -24.279 -8.993 -4.837 3 1HB GLN 9 2HB GLN 9 -23.781 -6.896 -2.722 4 2HB GLN 9 1HB GLN 9 -24.280 -6.515 -4.364 5 1HG GLN 9 2HG GLN 9 -26.203 -6.478 -2.954 6 2HG GLN 9 1HG GLN 9 -26.314 -7.882 -4.014 7 1HE2 GLN 9 1HE2 GLN 9 -25.806 -6.771 -0.759 8 2HE2 GLN 9 2HE2 GLN 9 -26.034 -8.300 0.014 9 H ARG 10 H ARG 10 -21.454 -8.147 -2.892 10 HA ARG 10 HA ARG 10 -19.314 -7.607 -3.437 11 1HB ARG 10 2HB ARG 10 -20.022 -9.015 -6.017 12 2HB ARG 10 1HB ARG 10 -18.393 -8.597 -5.508 13 1HG ARG 10 2HG ARG 10 -20.202 -10.391 -3.914 14 2HG ARG 10 1HG ARG 10 -19.080 -10.983 -5.137 15 1HD ARG 10 2HD ARG 10 -17.979 -11.191 -3.049 16 2HD ARG 10 1HD ARG 10 -17.249 -9.813 -3.871 17 HE ARG 10 HE ARG 10 -19.398 -9.107 -2.093 18 1HH1 ARG 10 1HH1 ARG 10 -15.978 -9.719 -2.362 19 2HH1 ARG 10 2HH1 ARG 10 -15.570 -8.786 -0.961 20 1HH2 ARG 10 1HH2 ARG 10 -18.870 -7.876 -0.249 21 2HH2 ARG 10 2HH2 ARG 10 -17.214 -7.739 0.240 22 H ARG 11 H ARG 11 -21.687 -5.894 -4.338 23 HA ARG 11 HA ARG 11 -20.484 -4.424 -6.553 24 1HB ARG 11 2HB ARG 11 -22.904 -4.889 -6.606 25 2HB ARG 11 1HB ARG 11 -23.108 -3.984 -5.113 26 1HG ARG 11 2HG ARG 11 -22.370 -1.951 -6.230 27 2HG ARG 11 1HG ARG 11 -22.129 -2.853 -7.727 28 1HD ARG 11 2HD ARG 11 -24.515 -3.410 -7.767 29 2HD ARG 11 1HD ARG 11 -24.750 -2.495 -6.279 30 HE ARG 11 HE ARG 11 -23.582 -0.770 -8.105 31 1HH1 ARG 11 1HH1 ARG 11 -26.538 -2.591 -7.804 32 2HH1 ARG 11 2HH1 ARG 11 -27.476 -1.465 -8.728 33 1HH2 ARG 11 1HH2 ARG 11 -24.809 0.715 -9.322 34 2HH2 ARG 11 2HH2 ARG 11 -26.493 0.413 -9.591 35 H ILE 12 H ILE 12 -18.915 -3.062 -5.982 36 HA ILE 12 HA ILE 12 -18.821 -1.815 -3.400 37 HB ILE 12 HB ILE 12 -16.857 -0.547 -4.457 38 1HG1 ILE 12 2HG1 ILE 12 -15.919 -1.892 -6.448 39 2HG1 ILE 12 1HG1 ILE 12 -17.564 -2.475 -6.664 40 1HG2 ILE 12 1HG2 ILE 12 -16.581 -2.422 -2.946 41 2HG2 ILE 12 2HG2 ILE 12 -15.386 -2.497 -4.241 42 3HG2 ILE 12 3HG2 ILE 12 -16.797 -3.555 -4.281 43 1HD1 ILE 12 1HD1 ILE 12 -17.029 -0.584 -8.122 44 2HD1 ILE 12 2HD1 ILE 12 -16.731 0.416 -6.701 45 3HD1 ILE 12 3HD1 ILE 12 -18.348 -0.217 -7.012 46 H ARG 13 H ARG 13 -18.208 0.649 -3.430 47 HA ARG 13 HA ARG 13 -19.922 2.149 -5.261 48 1HB ARG 13 2HB ARG 13 -21.365 1.668 -3.358 49 2HB ARG 13 1HB ARG 13 -20.150 2.287 -2.250 50 1HG ARG 13 2HG ARG 13 -20.398 4.515 -3.196 51 2HG ARG 13 1HG ARG 13 -21.594 3.902 -4.339 52 1HD ARG 13 2HD ARG 13 -22.692 4.987 -2.466 53 2HD ARG 13 1HD ARG 13 -23.039 3.259 -2.464 54 HE ARG 13 HE ARG 13 -20.911 3.442 -0.819 55 1HH1 ARG 13 1HH1 ARG 13 -23.953 5.138 -0.954 56 2HH1 ARG 13 2HH1 ARG 13 -24.024 5.408 0.755 57 1HH2 ARG 13 1HH2 ARG 13 -20.997 3.795 1.431 58 2HH2 ARG 13 2HH2 ARG 13 -22.344 4.647 2.111 59 H ARG 14 H ARG 14 -17.480 2.141 -2.733 60 HA ARG 14 HA ARG 14 -16.748 4.807 -2.704 61 1HB ARG 14 2HB ARG 14 -14.963 2.382 -2.430 62 2HB ARG 14 1HB ARG 14 -14.518 4.018 -1.968 63 1HG ARG 14 2HG ARG 14 -16.810 2.468 -0.783 64 2HG ARG 14 1HG ARG 14 -15.206 2.613 -0.062 65 1HD ARG 14 2HD ARG 14 -15.487 5.047 0.048 66 2HD ARG 14 1HD ARG 14 -17.095 4.890 -0.659 67 HE ARG 14 HE ARG 14 -16.994 3.281 1.620 68 1HH1 ARG 14 1HH1 ARG 14 -16.862 6.660 0.776 69 2HH1 ARG 14 2HH1 ARG 14 -17.551 7.192 2.274 70 1HH2 ARG 14 1HH2 ARG 14 -17.901 3.973 3.594 71 2HH2 ARG 14 2HH2 ARG 14 -18.140 5.666 3.875 72 HA PRO 15 HA PRO 15 -15.060 5.734 -6.680 73 1HB PRO 15 2HB PRO 15 -13.010 7.343 -5.277 74 2HB PRO 15 1HB PRO 15 -14.205 7.843 -6.478 75 1HG PRO 15 2HG PRO 15 -14.475 8.509 -3.905 76 2HG PRO 15 1HG PRO 15 -15.882 8.092 -4.902 77 1HD PRO 15 2HD PRO 15 -14.443 6.435 -2.865 78 2HD PRO 15 1HD PRO 15 -16.185 6.575 -3.178 79 H PHE 16 H PHE 16 -12.487 5.417 -4.222 80 HA PHE 16 HA PHE 16 -11.018 3.714 -6.125 81 1HB PHE 16 2HB PHE 16 -9.945 5.695 -4.112 82 2HB PHE 16 1HB PHE 16 -8.939 4.526 -4.961 83 HD1 PHE 16 HD1 PHE 16 -11.047 7.515 -5.348 84 HD2 PHE 16 HD2 PHE 16 -8.318 4.845 -7.232 85 HE1 PHE 16 HE1 PHE 16 -10.812 9.087 -7.227 86 HE2 PHE 16 HE2 PHE 16 -8.078 6.414 -9.114 87 HZ PHE 16 HZ PHE 16 -9.325 8.536 -9.112 88 H SER 17 H SER 17 -9.326 2.341 -4.941 89 HA SER 17 HA SER 17 -9.895 1.539 -2.257 90 1HB SER 17 2HB SER 17 -10.624 -0.762 -2.784 91 2HB SER 17 1HB SER 17 -11.780 0.435 -3.367 92 HG SER 17 HG SER 17 -11.542 -0.674 -5.156 93 H VAL 18 H VAL 18 -8.704 -0.726 -1.900 94 HA VAL 18 HA VAL 18 -6.000 -0.315 -2.181 95 HB VAL 18 HB VAL 18 -6.978 -1.964 -0.639 96 1HG1 VAL 18 1HG1 VAL 18 -8.650 -2.930 -2.120 97 2HG1 VAL 18 2HG1 VAL 18 -7.380 -3.644 -3.112 98 3HG1 VAL 18 3HG1 VAL 18 -7.611 -4.187 -1.450 99 1HG2 VAL 18 1HG2 VAL 18 -4.598 -2.080 -1.146 100 2HG2 VAL 18 2HG2 VAL 18 -5.257 -3.695 -0.887 101 3HG2 VAL 18 3HG2 VAL 18 -4.929 -3.128 -2.525 102 H ALA 19 H ALA 19 -8.227 -1.639 -4.493 103 HA ALA 19 HA ALA 19 -6.512 -3.049 -6.168 104 1HB ALA 19 1HB ALA 19 -8.862 -1.390 -7.065 105 2HB ALA 19 2HB ALA 19 -8.172 -2.796 -7.876 106 3HB ALA 19 3HB ALA 19 -8.998 -2.987 -6.330 107 H GLU 20 H GLU 20 -7.582 0.335 -6.549 108 HA GLU 20 HA GLU 20 -5.736 0.905 -8.625 109 1HB GLU 20 2HB GLU 20 -7.816 2.187 -8.282 110 2HB GLU 20 1HB GLU 20 -7.171 2.816 -6.774 111 1HG GLU 20 2HG GLU 20 -6.968 4.449 -8.547 112 2HG GLU 20 1HG GLU 20 -5.378 3.928 -7.993 113 H VAL 21 H VAL 21 -5.644 1.230 -5.132 114 HA VAL 21 HA VAL 21 -3.428 2.873 -4.825 115 HB VAL 21 HB VAL 21 -4.253 0.531 -3.098 116 1HG1 VAL 21 1HG1 VAL 21 -3.008 1.672 -1.309 117 2HG1 VAL 21 2HG1 VAL 21 -1.956 1.163 -2.630 118 3HG1 VAL 21 3HG1 VAL 21 -2.430 2.855 -2.482 119 1HG2 VAL 21 1HG2 VAL 21 -4.850 3.466 -2.760 120 2HG2 VAL 21 2HG2 VAL 21 -5.973 2.296 -3.450 121 3HG2 VAL 21 3HG2 VAL 21 -5.449 2.134 -1.773 122 H GLU 22 H GLU 22 -3.623 -0.486 -5.745 123 HA GLU 22 HA GLU 22 -1.057 -1.377 -5.224 124 1HB GLU 22 2HB GLU 22 -2.910 -2.774 -6.119 125 2HB GLU 22 1HB GLU 22 -2.700 -2.002 -7.685 126 1HG GLU 22 2HG GLU 22 -0.431 -2.890 -7.822 127 2HG GLU 22 1HG GLU 22 -0.641 -3.666 -6.254 128 H ALA 23 H ALA 23 -2.212 0.055 -8.276 129 HA ALA 23 HA ALA 23 0.302 0.270 -9.494 130 1HB ALA 23 1HB ALA 23 -0.745 1.524 -11.151 131 2HB ALA 23 2HB ALA 23 -2.062 0.552 -10.498 132 3HB ALA 23 3HB ALA 23 -1.894 2.241 -10.022 133 H LEU 24 H LEU 24 -1.529 2.521 -7.487 134 HA LEU 24 HA LEU 24 0.163 4.739 -7.688 135 1HB LEU 24 2HB LEU 24 -2.087 4.817 -6.695 136 2HB LEU 24 1HB LEU 24 -1.521 3.864 -5.337 137 HG LEU 24 HG LEU 24 0.020 5.705 -4.719 138 1HD1 LEU 24 1HD1 LEU 24 0.311 6.705 -6.919 139 2HD1 LEU 24 2HD1 LEU 24 -0.269 7.899 -5.759 140 3HD1 LEU 24 3HD1 LEU 24 -1.382 7.196 -6.932 141 1HD2 LEU 24 1HD2 LEU 24 -1.704 7.221 -3.877 142 2HD2 LEU 24 2HD2 LEU 24 -2.173 5.533 -3.673 143 3HD2 LEU 24 3HD2 LEU 24 -2.879 6.493 -4.973 144 H VAL 25 H VAL 25 0.425 1.793 -5.880 145 HA VAL 25 HA VAL 25 2.474 2.691 -4.097 146 HB VAL 25 HB VAL 25 1.297 0.019 -4.772 147 1HG1 VAL 25 1HG1 VAL 25 3.866 0.506 -3.293 148 2HG1 VAL 25 2HG1 VAL 25 2.875 -0.923 -3.005 149 3HG1 VAL 25 3HG1 VAL 25 3.551 -0.624 -4.607 150 1HG2 VAL 25 1HG2 VAL 25 0.112 1.375 -3.179 151 2HG2 VAL 25 2HG2 VAL 25 0.863 0.025 -2.329 152 3HG2 VAL 25 3HG2 VAL 25 1.584 1.630 -2.241 153 H GLN 26 H GLN 26 2.377 0.960 -7.169 154 HA GLN 26 HA GLN 26 5.132 0.353 -7.309 155 1HB GLN 26 2HB GLN 26 3.358 -0.716 -8.699 156 2HB GLN 26 1HB GLN 26 3.198 0.787 -9.595 157 1HG GLN 26 2HG GLN 26 5.849 -0.576 -9.409 158 2HG GLN 26 1HG GLN 26 4.634 -1.140 -10.553 159 1HE2 GLN 26 1HE2 GLN 26 7.249 0.060 -11.036 160 2HE2 GLN 26 2HE2 GLN 26 6.960 1.459 -12.009 161 H ALA 27 H ALA 27 3.345 3.238 -7.781 162 HA ALA 27 HA ALA 27 5.412 4.551 -9.335 163 1HB ALA 27 1HB ALA 27 3.930 6.473 -9.334 164 2HB ALA 27 2HB ALA 27 3.055 5.016 -9.799 165 3HB ALA 27 3HB ALA 27 2.869 5.674 -8.173 166 H VAL 28 H VAL 28 4.203 4.566 -6.015 167 HA VAL 28 HA VAL 28 5.930 6.770 -5.264 168 HB VAL 28 HB VAL 28 5.026 6.484 -3.005 169 1HG1 VAL 28 1HG1 VAL 28 2.687 7.035 -3.526 170 2HG1 VAL 28 2HG1 VAL 28 3.821 7.883 -4.576 171 3HG1 VAL 28 3HG1 VAL 28 2.938 6.483 -5.181 172 1HG2 VAL 28 1HG2 VAL 28 3.229 4.843 -2.610 173 2HG2 VAL 28 2HG2 VAL 28 3.539 4.150 -4.202 174 3HG2 VAL 28 3HG2 VAL 28 4.780 4.076 -2.952 175 H GLU 29 H GLU 29 6.191 3.349 -5.362 176 HA GLU 29 HA GLU 29 7.842 2.846 -3.173 177 1HB GLU 29 2HB GLU 29 8.742 0.940 -4.604 178 2HB GLU 29 1HB GLU 29 7.011 0.963 -4.296 179 1HG GLU 29 2HG GLU 29 6.516 1.650 -6.468 180 2HG GLU 29 1HG GLU 29 8.173 2.149 -6.788 181 H LYS 30 H LYS 30 8.508 4.842 -5.795 182 HA LYS 30 HA LYS 30 11.406 4.444 -5.540 183 1HB LYS 30 2HB LYS 30 11.565 5.826 -7.598 184 2HB LYS 30 1HB LYS 30 10.643 4.345 -7.816 185 1HG LYS 30 2HG LYS 30 8.579 5.536 -7.769 186 2HG LYS 30 1HG LYS 30 9.392 7.028 -7.298 187 1HD LYS 30 2HD LYS 30 8.875 7.143 -9.643 188 2HD LYS 30 1HD LYS 30 10.621 6.967 -9.464 189 1HE LYS 30 2HE LYS 30 10.426 4.571 -9.927 190 2HE LYS 30 1HE LYS 30 8.679 4.744 -10.096 191 1HZ LYS 30 1HZ LYS 30 10.719 6.052 -11.813 192 2HZ LYS 30 2HZ LYS 30 9.045 6.216 -11.977 193 3HZ LYS 30 3HZ LYS 30 9.776 4.716 -12.245 194 H LEU 31 H LEU 31 8.918 6.979 -5.375 195 HA LEU 31 HA LEU 31 10.901 8.680 -4.010 196 1HB LEU 31 2HB LEU 31 10.027 10.618 -4.999 197 2HB LEU 31 1HB LEU 31 10.164 9.458 -6.304 198 HG LEU 31 HG LEU 31 7.581 10.065 -4.859 199 1HD1 LEU 31 1HD1 LEU 31 6.976 11.370 -6.831 200 2HD1 LEU 31 2HD1 LEU 31 8.589 11.115 -7.498 201 3HD1 LEU 31 3HD1 LEU 31 8.385 12.050 -6.018 202 1HD2 LEU 31 1HD2 LEU 31 8.263 8.470 -7.317 203 2HD2 LEU 31 2HD2 LEU 31 6.630 9.028 -6.954 204 3HD2 LEU 31 3HD2 LEU 31 7.448 7.923 -5.852 205 H GLY 32 H GLY 32 9.042 6.741 -2.858 206 1HA GLY 32 1HA GLY 32 6.889 8.228 -1.657 207 2HA GLY 32 2HA GLY 32 7.359 6.580 -1.274 208 H THR 33 H THR 33 6.804 7.444 0.915 209 HA THR 33 HA THR 33 9.265 8.188 2.266 210 HB THR 33 HB THR 33 6.772 9.851 2.681 211 HG1 THR 33 HG1 THR 33 8.142 11.515 1.712 212 1HG2 THR 33 1HG2 THR 33 8.166 9.626 4.677 213 2HG2 THR 33 2HG2 THR 33 8.255 11.266 4.033 214 3HG2 THR 33 3HG2 THR 33 9.580 10.137 3.756 215 H GLY 34 H GLY 34 5.792 7.543 2.568 216 1HA GLY 34 1HA GLY 34 6.163 5.386 4.358 217 2HA GLY 34 2HA GLY 34 5.726 6.826 5.263 218 H ARG 35 H ARG 35 4.509 6.475 2.051 219 HA ARG 35 HA ARG 35 2.380 6.464 1.266 220 1HB ARG 35 2HB ARG 35 1.249 4.398 1.527 221 2HB ARG 35 1HB ARG 35 2.967 4.037 1.599 222 1HG ARG 35 2HG ARG 35 2.867 3.802 3.990 223 2HG ARG 35 1HG ARG 35 1.181 4.324 4.006 224 1HD ARG 35 2HD ARG 35 2.299 1.812 2.772 225 2HD ARG 35 1HD ARG 35 1.262 1.927 4.193 226 HE ARG 35 HE ARG 35 0.187 2.975 1.702 227 1HH1 ARG 35 1HH1 ARG 35 0.323 0.350 3.991 228 2HH1 ARG 35 2HH1 ARG 35 -1.140 -0.386 3.427 229 1HH2 ARG 35 1HH2 ARG 35 -1.739 2.012 0.955 230 2HH2 ARG 35 2HH2 ARG 35 -2.312 0.558 1.702 231 H TRP 36 H TRP 36 2.812 8.022 3.756 232 HA TRP 36 HA TRP 36 0.680 7.792 5.538 233 1HB TRP 36 2HB TRP 36 1.940 10.393 4.650 234 2HB TRP 36 1HB TRP 36 1.148 10.064 6.187 235 HD1 TRP 36 HD1 TRP 36 4.461 9.693 4.391 236 HE1 TRP 36 HE1 TRP 36 6.234 8.842 6.049 237 HE3 TRP 36 HE3 TRP 36 1.407 8.564 8.333 238 HZ2 TRP 36 HZ2 TRP 36 6.326 7.826 8.683 239 HZ3 TRP 36 HZ3 TRP 36 2.418 7.657 10.384 240 HH2 TRP 36 HH2 TRP 36 4.827 7.296 10.555 241 H ARG 37 H ARG 37 0.956 9.678 2.547 242 HA ARG 37 HA ARG 37 -1.692 10.725 2.687 243 1HB ARG 37 2HB ARG 37 -1.246 11.406 0.323 244 2HB ARG 37 1HB ARG 37 -0.020 11.939 1.466 245 1HG ARG 37 2HG ARG 37 1.222 9.779 0.765 246 2HG ARG 37 1HG ARG 37 0.148 9.823 -0.634 247 1HD ARG 37 2HD ARG 37 2.175 10.947 -1.222 248 2HD ARG 37 1HD ARG 37 0.903 12.155 -1.051 249 HE ARG 37 HE ARG 37 2.258 11.898 1.394 250 1HH1 ARG 37 1HH1 ARG 37 2.760 13.096 -1.840 251 2HH1 ARG 37 2HH1 ARG 37 3.912 14.294 -1.354 252 1HH2 ARG 37 1HH2 ARG 37 3.773 13.472 2.042 253 2HH2 ARG 37 2HH2 ARG 37 4.489 14.507 0.852 254 H ASP 38 H ASP 38 -0.253 7.837 1.382 255 HA ASP 38 HA ASP 38 -2.340 7.132 -0.398 256 1HB ASP 38 2HB ASP 38 -0.306 5.398 1.022 257 2HB ASP 38 1HB ASP 38 -1.359 4.845 -0.276 258 H VAL 39 H VAL 39 -1.546 5.804 2.816 259 HA VAL 39 HA VAL 39 -3.903 4.335 3.130 260 HB VAL 39 HB VAL 39 -3.413 4.332 5.536 261 1HG1 VAL 39 1HG1 VAL 39 -0.910 4.039 3.881 262 2HG1 VAL 39 2HG1 VAL 39 -1.247 3.266 5.430 263 3HG1 VAL 39 3HG1 VAL 39 -2.192 2.833 4.006 264 1HG2 VAL 39 1HG2 VAL 39 -1.565 5.593 6.456 265 2HG2 VAL 39 2HG2 VAL 39 -1.215 6.289 4.875 266 3HG2 VAL 39 3HG2 VAL 39 -2.717 6.695 5.705 267 H LYS 40 H LYS 40 -3.198 7.709 3.591 268 HA LYS 40 HA LYS 40 -5.367 8.429 5.216 269 1HB LYS 40 2HB LYS 40 -3.341 9.773 3.650 270 2HB LYS 40 1HB LYS 40 -4.888 10.591 3.496 271 1HG LYS 40 2HG LYS 40 -3.586 9.898 6.118 272 2HG LYS 40 1HG LYS 40 -3.464 11.467 5.320 273 1HD LYS 40 2HD LYS 40 -5.939 11.643 5.401 274 2HD LYS 40 1HD LYS 40 -5.982 10.134 6.315 275 1HE LYS 40 2HE LYS 40 -4.601 12.681 7.157 276 2HE LYS 40 1HE LYS 40 -6.132 12.078 7.790 277 1HZ LYS 40 1HZ LYS 40 -3.508 10.707 8.022 278 2HZ LYS 40 2HZ LYS 40 -4.977 10.131 8.632 279 3HZ LYS 40 3HZ LYS 40 -4.295 11.546 9.263 280 H LEU 41 H LEU 41 -5.053 8.462 1.658 281 HA LEU 41 HA LEU 41 -7.988 8.683 1.519 282 1HB LEU 41 2HB LEU 41 -5.933 9.515 -0.531 283 2HB LEU 41 1HB LEU 41 -7.670 9.643 -0.727 284 HG LEU 41 HG LEU 41 -6.061 11.113 1.363 285 1HD1 LEU 41 1HD1 LEU 41 -7.263 12.093 -1.223 286 2HD1 LEU 41 2HD1 LEU 41 -5.543 11.904 -0.880 287 3HD1 LEU 41 3HD1 LEU 41 -6.492 13.099 0.005 288 1HD2 LEU 41 1HD2 LEU 41 -8.126 12.386 1.703 289 2HD2 LEU 41 2HD2 LEU 41 -8.353 10.676 2.064 290 3HD2 LEU 41 3HD2 LEU 41 -8.956 11.344 0.548 291 H CYS 42 H CYS 42 -6.264 6.239 1.751 292 HA CYS 42 HA CYS 42 -6.131 4.852 -0.668 293 1HB CYS 42 2HB CYS 42 -5.040 3.975 1.297 294 2HB CYS 42 1HB CYS 42 -6.573 3.846 2.150 295 HG CYS 42 HG CYS 42 -6.094 1.267 1.651 296 H ALA 43 H ALA 43 -8.691 4.984 1.754 297 HA ALA 43 HA ALA 43 -10.855 4.989 0.014 298 1HB ALA 43 1HB ALA 43 -11.687 2.680 0.208 299 2HB ALA 43 2HB ALA 43 -10.159 2.757 -0.668 300 3HB ALA 43 3HB ALA 43 -10.185 2.220 1.012 301 H PHE 44 H PHE 44 -9.858 5.953 2.615 302 HA PHE 44 HA PHE 44 -10.682 6.580 4.628 303 1HB PHE 44 2HB PHE 44 -13.252 5.243 3.731 304 2HB PHE 44 1HB PHE 44 -13.071 6.378 5.062 305 HD1 PHE 44 HD1 PHE 44 -12.510 8.755 4.585 306 HD2 PHE 44 HD2 PHE 44 -13.522 5.993 1.509 307 HE1 PHE 44 HE1 PHE 44 -12.967 10.629 3.057 308 HE2 PHE 44 HE2 PHE 44 -13.980 7.861 -0.023 309 HZ PHE 44 HZ PHE 44 -13.703 10.182 0.749 310 H GLU 45 H GLU 45 -9.548 3.965 3.835 311 HA GLU 45 HA GLU 45 -10.651 2.073 5.706 312 1HB GLU 45 2HB GLU 45 -9.797 1.401 3.467 313 2HB GLU 45 1HB GLU 45 -8.182 1.856 3.983 314 1HG GLU 45 2HG GLU 45 -8.511 -0.540 4.115 315 2HG GLU 45 1HG GLU 45 -8.229 0.157 5.711 316 H ASP 46 H ASP 46 -7.483 3.605 5.205 317 HA ASP 46 HA ASP 46 -6.926 3.195 8.070 318 1HB ASP 46 2HB ASP 46 -4.975 3.416 5.767 319 2HB ASP 46 1HB ASP 46 -4.526 3.261 7.464 320 H ALA 47 H ALA 47 -8.265 5.443 6.528 321 HA ALA 47 HA ALA 47 -6.595 7.704 6.526 322 1HB ALA 47 1HB ALA 47 -9.583 7.596 6.913 323 2HB ALA 47 2HB ALA 47 -8.645 9.010 6.433 324 3HB ALA 47 3HB ALA 47 -8.748 7.614 5.361 325 H ASP 48 H ASP 48 -7.561 5.873 9.127 326 HA ASP 48 HA ASP 48 -7.521 8.155 10.978 327 1HB ASP 48 2HB ASP 48 -9.471 6.674 11.176 328 2HB ASP 48 1HB ASP 48 -8.406 5.300 11.451 329 H HIS 49 H HIS 49 -5.670 5.541 9.830 330 HA HIS 49 HA HIS 49 -3.625 4.709 10.360 331 1HB HIS 49 2HB HIS 49 -3.440 7.229 12.022 332 2HB HIS 49 1HB HIS 49 -2.088 6.161 11.660 333 HD1 HIS 49 HD1 HIS 49 -0.768 6.772 9.659 334 HD2 HIS 49 HD2 HIS 49 -4.609 8.353 9.526 335 HE1 HIS 49 HE1 HIS 49 -0.834 8.207 7.595 336 HE2 HIS 49 HE2 HIS 49 -3.193 9.085 7.490 337 H ARG 50 H ARG 50 -3.839 2.863 11.453 338 HA ARG 50 HA ARG 50 -4.787 2.847 14.189 339 1HB ARG 50 2HB ARG 50 -5.554 1.127 12.616 340 2HB ARG 50 1HB ARG 50 -3.898 0.575 12.404 341 1HG ARG 50 2HG ARG 50 -3.799 -0.102 14.732 342 2HG ARG 50 1HG ARG 50 -5.434 0.506 14.993 343 1HD ARG 50 2HD ARG 50 -4.659 -1.714 13.104 344 2HD ARG 50 1HD ARG 50 -5.403 -1.924 14.687 345 HE ARG 50 HE ARG 50 -6.965 -0.229 13.025 346 1HH1 ARG 50 1HH1 ARG 50 -6.152 -3.568 13.600 347 2HH1 ARG 50 2HH1 ARG 50 -7.645 -4.175 12.966 348 1HH2 ARG 50 1HH2 ARG 50 -8.934 -1.020 12.189 349 2HH2 ARG 50 2HH2 ARG 50 -9.226 -2.726 12.163 350 H THR 51 H THR 51 -1.869 1.617 12.521 351 HA THR 51 HA THR 51 -0.206 2.447 14.734 352 HB THR 51 HB THR 51 -0.292 -0.496 14.051 353 HG1 THR 51 HG1 THR 51 -1.117 -0.356 16.436 354 1HG2 THR 51 1HG2 THR 51 0.989 -0.661 16.202 355 2HG2 THR 51 2HG2 THR 51 1.126 1.098 16.181 356 3HG2 THR 51 3HG2 THR 51 1.849 0.139 14.888 357 H TYR 52 H TYR 52 2.088 2.230 14.250 358 HA TYR 52 HA TYR 52 2.692 2.824 11.581 359 1HB TYR 52 2HB TYR 52 4.995 2.892 12.220 360 2HB TYR 52 1HB TYR 52 4.048 3.558 13.538 361 HD1 TYR 52 HD1 TYR 52 3.244 1.331 15.148 362 HD2 TYR 52 HD2 TYR 52 6.876 1.861 13.002 363 HE1 TYR 52 HE1 TYR 52 4.381 -0.164 16.724 364 HE2 TYR 52 HE2 TYR 52 8.025 0.356 14.570 365 HH TYR 52 HH TYR 52 6.369 -1.611 16.782 366 H VAL 53 H VAL 53 3.161 -0.195 13.407 367 HA VAL 53 HA VAL 53 4.284 -1.555 11.143 368 HB VAL 53 HB VAL 53 3.278 -2.574 13.801 369 1HG1 VAL 53 1HG1 VAL 53 4.517 -4.138 11.535 370 2HG1 VAL 53 2HG1 VAL 53 4.274 -4.749 13.171 371 3HG1 VAL 53 3HG1 VAL 53 2.884 -4.324 12.173 372 1HG2 VAL 53 1HG2 VAL 53 5.591 -2.913 14.306 373 2HG2 VAL 53 2HG2 VAL 53 6.062 -2.515 12.651 374 3HG2 VAL 53 3HG2 VAL 53 5.402 -1.265 13.705 375 H ASP 54 H ASP 54 1.099 -1.431 12.698 376 HA ASP 54 HA ASP 54 -0.172 -3.410 11.187 377 1HB ASP 54 2HB ASP 54 -1.220 -0.893 12.480 378 2HB ASP 54 1HB ASP 54 -2.278 -2.019 11.637 379 H LEU 55 H LEU 55 0.299 0.026 10.545 380 HA LEU 55 HA LEU 55 -1.118 0.119 8.107 381 1HB LEU 55 2HB LEU 55 -0.688 2.188 9.133 382 2HB LEU 55 1HB LEU 55 1.009 1.824 9.370 383 HG LEU 55 HG LEU 55 0.014 2.077 6.568 384 1HD1 LEU 55 1HD1 LEU 55 0.568 4.431 8.371 385 2HD1 LEU 55 2HD1 LEU 55 -1.006 3.982 7.714 386 3HD1 LEU 55 3HD1 LEU 55 0.287 4.497 6.630 387 1HD2 LEU 55 1HD2 LEU 55 2.556 2.871 7.991 388 2HD2 LEU 55 2HD2 LEU 55 2.245 3.078 6.267 389 3HD2 LEU 55 3HD2 LEU 55 2.329 1.459 6.959 390 H LYS 56 H LYS 56 2.234 -0.540 8.954 391 HA LYS 56 HA LYS 56 3.208 -0.742 6.304 392 1HB LYS 56 2HB LYS 56 4.622 -0.417 8.352 393 2HB LYS 56 1HB LYS 56 4.305 -2.093 8.776 394 1HG LYS 56 2HG LYS 56 6.478 -1.838 7.711 395 2HG LYS 56 1HG LYS 56 5.400 -2.838 6.736 396 1HD LYS 56 2HD LYS 56 6.628 -1.283 5.325 397 2HD LYS 56 1HD LYS 56 4.907 -0.897 5.311 398 1HE LYS 56 2HE LYS 56 6.275 1.122 5.479 399 2HE LYS 56 1HE LYS 56 5.289 0.895 6.922 400 1HZ LYS 56 1HZ LYS 56 7.541 1.547 7.490 401 2HZ LYS 56 2HZ LYS 56 8.166 0.205 6.672 402 3HZ LYS 56 3HZ LYS 56 7.220 -0.015 8.056 403 H ASP 57 H ASP 57 1.386 -2.835 8.333 404 HA ASP 57 HA ASP 57 2.038 -5.272 7.005 405 1HB ASP 57 2HB ASP 57 -0.201 -4.502 8.875 406 2HB ASP 57 1HB ASP 57 -0.048 -6.115 8.189 407 H LYS 58 H LYS 58 -0.486 -2.838 6.734 408 HA LYS 58 HA LYS 58 -2.093 -4.210 4.855 409 1HB LYS 58 2HB LYS 58 -1.777 -1.237 5.328 410 2HB LYS 58 1HB LYS 58 -3.059 -1.978 4.381 411 1HG LYS 58 2HG LYS 58 -2.583 -2.473 7.312 412 2HG LYS 58 1HG LYS 58 -3.770 -1.347 6.650 413 1HD LYS 58 2HD LYS 58 -4.884 -3.208 5.503 414 2HD LYS 58 1HD LYS 58 -3.701 -4.329 6.182 415 1HE LYS 58 2HE LYS 58 -5.782 -4.361 7.458 416 2HE LYS 58 1HE LYS 58 -4.445 -3.755 8.435 417 1HZ LYS 58 1HZ LYS 58 -5.215 -1.501 8.021 418 2HZ LYS 58 2HZ LYS 58 -6.435 -2.424 8.740 419 3HZ LYS 58 3HZ LYS 58 -6.497 -2.084 7.085 420 H TRP 59 H TRP 59 0.728 -2.170 4.614 421 HA TRP 59 HA TRP 59 0.647 -1.865 1.767 422 1HB TRP 59 2HB TRP 59 1.820 -0.149 2.775 423 2HB TRP 59 1HB TRP 59 2.533 -1.202 3.986 424 HD1 TRP 59 HD1 TRP 59 4.705 -2.650 3.190 425 HE1 TRP 59 HE1 TRP 59 6.516 -2.084 1.448 426 HE3 TRP 59 HE3 TRP 59 2.221 0.982 0.595 427 HZ2 TRP 59 HZ2 TRP 59 6.844 -0.327 -0.742 428 HZ3 TRP 59 HZ3 TRP 59 3.353 2.057 -1.306 429 HH2 TRP 59 HH2 TRP 59 5.615 1.415 -1.958 430 H LYS 60 H LYS 60 2.561 -3.809 4.022 431 HA LYS 60 HA LYS 60 4.074 -5.237 2.165 432 1HB LYS 60 2HB LYS 60 4.829 -5.422 4.353 433 2HB LYS 60 1HB LYS 60 3.220 -5.717 4.992 434 1HG LYS 60 2HG LYS 60 4.329 -7.775 3.183 435 2HG LYS 60 1HG LYS 60 5.071 -7.618 4.777 436 1HD LYS 60 2HD LYS 60 2.931 -7.943 5.851 437 2HD LYS 60 1HD LYS 60 2.112 -7.955 4.288 438 1HE LYS 60 2HE LYS 60 3.324 -9.981 3.666 439 2HE LYS 60 1HE LYS 60 4.162 -9.957 5.216 440 1HZ LYS 60 1HZ LYS 60 1.231 -10.254 4.848 441 2HZ LYS 60 2HZ LYS 60 2.042 -10.245 6.332 442 3HZ LYS 60 3HZ LYS 60 2.307 -11.503 5.233 443 H THR 61 H THR 61 0.865 -5.846 3.474 444 HA THR 61 HA THR 61 0.571 -8.403 2.207 445 HB THR 61 HB THR 61 -1.530 -6.582 3.408 446 HG1 THR 61 HG1 THR 61 -0.223 -8.876 4.493 447 1HG2 THR 61 1HG2 THR 61 -1.672 -9.505 2.651 448 2HG2 THR 61 2HG2 THR 61 -2.514 -8.180 1.846 449 3HG2 THR 61 3HG2 THR 61 -2.924 -8.604 3.508 450 H LEU 62 H LEU 62 -0.016 -5.097 1.378 451 HA LEU 62 HA LEU 62 -1.853 -5.484 -0.722 452 1HB LEU 62 2HB LEU 62 -1.723 -3.299 0.020 453 2HB LEU 62 1HB LEU 62 0.025 -3.314 0.092 454 HG LEU 62 HG LEU 62 -1.225 -3.503 -2.598 455 1HD1 LEU 62 1HD1 LEU 62 -2.569 -1.778 -1.531 456 2HD1 LEU 62 2HD1 LEU 62 -1.465 -1.065 -2.708 457 3HD1 LEU 62 3HD1 LEU 62 -1.107 -0.958 -0.983 458 1HD2 LEU 62 1HD2 LEU 62 0.712 -2.049 -3.131 459 2HD2 LEU 62 2HD2 LEU 62 1.173 -3.584 -2.396 460 3HD2 LEU 62 3HD2 LEU 62 1.181 -2.111 -1.431 461 H VAL 63 H VAL 63 1.676 -5.491 -0.586 462 HA VAL 63 HA VAL 63 1.917 -5.890 -3.443 463 HB VAL 63 HB VAL 63 4.351 -6.188 -2.963 464 1HG1 VAL 63 1HG1 VAL 63 4.765 -3.856 -2.393 465 2HG1 VAL 63 2HG1 VAL 63 3.417 -3.998 -3.519 466 3HG1 VAL 63 3HG1 VAL 63 3.109 -3.694 -1.809 467 1HG2 VAL 63 1HG2 VAL 63 4.202 -7.093 -0.714 468 2HG2 VAL 63 2HG2 VAL 63 5.175 -5.622 -0.716 469 3HG2 VAL 63 3HG2 VAL 63 3.512 -5.578 -0.129 470 H HIS 64 H HIS 64 2.307 -7.802 -0.492 471 HA HIS 64 HA HIS 64 3.234 -10.179 -1.573 472 1HB HIS 64 2HB HIS 64 3.250 -10.232 0.721 473 2HB HIS 64 1HB HIS 64 1.702 -9.409 0.860 474 HD1 HIS 64 HD1 HIS 64 3.192 -12.827 0.400 475 HD2 HIS 64 HD2 HIS 64 -0.519 -11.066 1.034 476 HE1 HIS 64 HE1 HIS 64 1.633 -14.721 0.955 477 HE2 HIS 64 HE2 HIS 64 -0.585 -13.622 1.420 478 H THR 65 H THR 65 -0.068 -8.972 -1.308 479 HA THR 65 HA THR 65 -1.227 -11.371 -2.410 480 HB THR 65 HB THR 65 -2.550 -8.686 -1.981 481 HG1 THR 65 HG1 THR 65 -2.481 -10.944 -0.240 482 1HG2 THR 65 1HG2 THR 65 -4.616 -10.024 -1.878 483 2HG2 THR 65 2HG2 THR 65 -3.686 -11.473 -2.258 484 3HG2 THR 65 3HG2 THR 65 -3.814 -10.172 -3.442 485 H ALA 66 H ALA 66 0.122 -8.478 -3.659 486 HA ALA 66 HA ALA 66 -1.329 -8.027 -5.972 487 1HB ALA 66 1HB ALA 66 0.658 -6.976 -6.875 488 2HB ALA 66 2HB ALA 66 0.482 -6.572 -5.167 489 3HB ALA 66 3HB ALA 66 1.660 -7.784 -5.670 490 H LYS 67 H LYS 67 1.845 -9.618 -6.147 491 HA LYS 67 HA LYS 67 0.817 -11.919 -7.501 492 1HB LYS 67 2HB LYS 67 1.926 -11.501 -9.665 493 2HB LYS 67 1HB LYS 67 0.640 -10.346 -9.342 494 1HG LYS 67 2HG LYS 67 2.299 -8.686 -8.658 495 2HG LYS 67 1HG LYS 67 3.589 -9.845 -8.983 496 1HD LYS 67 2HD LYS 67 3.410 -8.365 -10.863 497 2HD LYS 67 1HD LYS 67 2.809 -9.952 -11.347 498 1HE LYS 67 2HE LYS 67 1.367 -8.168 -12.184 499 2HE LYS 67 1HE LYS 67 0.513 -9.189 -11.026 500 1HZ LYS 67 1HZ LYS 67 0.068 -6.850 -10.637 501 2HZ LYS 67 2HZ LYS 67 1.718 -6.538 -10.436 502 3HZ LYS 67 3HZ LYS 67 0.901 -7.518 -9.324 503 H ILE 68 H ILE 68 2.715 -10.955 -5.338 504 HA ILE 68 HA ILE 68 5.354 -11.604 -6.025 505 HB ILE 68 HB ILE 68 3.951 -11.816 -3.355 506 1HG1 ILE 68 2HG1 ILE 68 4.007 -9.551 -4.311 507 2HG1 ILE 68 1HG1 ILE 68 5.029 -9.669 -2.882 508 1HG2 ILE 68 1HG2 ILE 68 6.231 -11.759 -2.383 509 2HG2 ILE 68 2HG2 ILE 68 6.893 -11.948 -4.006 510 3HG2 ILE 68 3HG2 ILE 68 5.902 -13.226 -3.304 511 1HD1 ILE 68 1HD1 ILE 68 7.002 -9.823 -4.308 512 2HD1 ILE 68 2HD1 ILE 68 6.084 -8.351 -4.628 513 3HD1 ILE 68 3HD1 ILE 68 5.977 -9.716 -5.739 514 H SER 69 H SER 69 2.596 -13.575 -5.272 515 HA SER 69 HA SER 69 2.292 -15.828 -5.016 516 1HB SER 69 2HB SER 69 4.388 -15.815 -7.202 517 2HB SER 69 1HB SER 69 3.325 -17.169 -6.820 518 HG SER 69 HG SER 69 2.251 -16.142 -8.389 519 HA PRO 70 HA PRO 70 6.268 -16.518 -2.611 520 1HB PRO 70 2HB PRO 70 5.371 -16.109 -0.115 521 2HB PRO 70 1HB PRO 70 5.907 -14.773 -1.142 522 1HG PRO 70 2HG PRO 70 3.131 -15.691 -0.520 523 2HG PRO 70 1HG PRO 70 3.765 -14.041 -0.639 524 1HD PRO 70 2HD PRO 70 2.366 -15.300 -2.638 525 2HD PRO 70 1HD PRO 70 3.526 -13.985 -2.911 526 H GLN 71 H GLN 71 2.999 -17.343 -1.432 527 HA GLN 71 HA GLN 71 3.900 -19.897 -0.438 528 1HB GLN 71 2HB GLN 71 1.538 -20.220 0.198 529 2HB GLN 71 1HB GLN 71 2.182 -18.696 0.789 530 1HG GLN 71 2HG GLN 71 1.084 -17.518 -1.048 531 2HG GLN 71 1HG GLN 71 0.438 -19.047 -1.639 532 1HE2 GLN 71 1HE2 GLN 71 0.722 -18.273 1.752 533 2HE2 GLN 71 2HE2 GLN 71 -0.972 -18.140 2.064 534 H GLN 72 H GLN 72 2.822 -18.688 -3.409 535 HA GLN 72 HA GLN 72 1.422 -20.925 -4.418 536 1HB GLN 72 2HB GLN 72 3.014 -18.831 -5.911 537 2HB GLN 72 1HB GLN 72 1.862 -19.942 -6.637 538 1HG GLN 72 2HG GLN 72 1.123 -17.961 -4.502 539 2HG GLN 72 1HG GLN 72 1.031 -17.612 -6.227 540 1HE2 GLN 72 1HE2 GLN 72 -1.187 -17.315 -6.160 541 2HE2 GLN 72 2HE2 GLN 72 -2.293 -18.628 -5.973 542 H ARG 73 H ARG 73 4.749 -20.348 -3.839 543 HA ARG 73 HA ARG 73 5.523 -22.618 -5.538 544 1HB ARG 73 2HB ARG 73 7.244 -20.501 -4.234 545 2HB ARG 73 1HB ARG 73 7.837 -21.806 -5.251 546 1HG ARG 73 2HG ARG 73 5.856 -19.767 -6.223 547 2HG ARG 73 1HG ARG 73 7.602 -19.542 -6.340 548 1HD ARG 73 2HD ARG 73 6.863 -20.419 -8.424 549 2HD ARG 73 1HD ARG 73 7.707 -21.717 -7.581 550 HE ARG 73 HE ARG 73 4.918 -21.812 -7.065 551 1HH1 ARG 73 1HH1 ARG 73 7.306 -22.533 -9.499 552 2HH1 ARG 73 2HH1 ARG 73 6.363 -23.786 -10.236 553 1HH2 ARG 73 1HH2 ARG 73 3.671 -23.459 -8.029 554 2HH2 ARG 73 2HH2 ARG 73 4.297 -24.312 -9.400 555 H ARG 74 H ARG 74 5.634 -24.509 -4.539 556 HA ARG 74 HA ARG 74 5.823 -24.702 -1.677 557 1HB ARG 74 2HB ARG 74 5.847 -26.856 -3.799 558 2HB ARG 74 1HB ARG 74 5.711 -27.139 -2.069 559 1HG ARG 74 2HG ARG 74 3.732 -25.478 -3.602 560 2HG ARG 74 1HG ARG 74 3.568 -27.224 -3.399 561 1HD ARG 74 2HD ARG 74 2.260 -26.199 -1.701 562 2HD ARG 74 1HD ARG 74 3.700 -26.853 -0.922 563 HE ARG 74 HE ARG 74 4.083 -24.136 -1.644 564 1HH1 ARG 74 1HH1 ARG 74 2.487 -26.172 0.693 565 2HH1 ARG 74 2HH1 ARG 74 2.495 -24.968 1.938 566 1HH2 ARG 74 1HH2 ARG 74 4.097 -22.547 -0.010 567 2HH2 ARG 74 2HH2 ARG 74 3.410 -22.908 1.538 568 H GLY 75 H GLY 75 7.624 -24.825 -0.518 569 1HA GLY 75 1HA GLY 75 9.752 -26.253 -0.422 570 2HA GLY 75 2HA GLY 75 10.143 -25.429 -1.924 571 H GLU 76 H GLU 76 8.639 -24.108 1.001 572 HA GLU 76 HA GLU 76 11.040 -22.797 1.856 573 1HB GLU 76 2HB GLU 76 10.217 -20.493 1.536 574 2HB GLU 76 1HB GLU 76 10.474 -21.325 0.008 575 1HG GLU 76 2HG GLU 76 8.078 -21.751 -0.167 576 2HG GLU 76 1HG GLU 76 7.818 -20.919 1.365 577 HA PRO 77 HA PRO 77 8.780 -22.906 5.656 578 1HB PRO 77 2HB PRO 77 10.334 -20.635 6.650 579 2HB PRO 77 1HB PRO 77 10.370 -22.319 7.162 580 1HG PRO 77 2HG PRO 77 12.415 -21.172 5.823 581 2HG PRO 77 1HG PRO 77 12.001 -22.888 5.643 582 1HD PRO 77 2HD PRO 77 11.350 -20.581 3.843 583 2HD PRO 77 1HD PRO 77 11.890 -22.221 3.421 584 H VAL 78 H VAL 78 9.654 -19.485 5.481 585 HA VAL 78 HA VAL 78 6.791 -18.804 5.353 586 HB VAL 78 HB VAL 78 7.215 -16.903 6.869 587 1HG1 VAL 78 1HG1 VAL 78 7.966 -19.593 8.010 588 2HG1 VAL 78 2HG1 VAL 78 7.399 -18.205 8.939 589 3HG1 VAL 78 3HG1 VAL 78 6.329 -18.982 7.772 590 1HG2 VAL 78 1HG2 VAL 78 9.592 -16.599 6.450 591 2HG2 VAL 78 2HG2 VAL 78 9.294 -16.827 8.172 592 3HG2 VAL 78 3HG2 VAL 78 9.941 -18.154 7.207 593 HA PRO 79 HA PRO 79 7.945 -16.081 2.063 594 1HB PRO 79 2HB PRO 79 5.998 -14.213 2.203 595 2HB PRO 79 1HB PRO 79 5.691 -15.862 1.648 596 1HG PRO 79 2HG PRO 79 5.195 -14.647 4.340 597 2HG PRO 79 1HG PRO 79 4.150 -15.718 3.387 598 1HD PRO 79 2HD PRO 79 5.683 -16.608 5.442 599 2HD PRO 79 1HD PRO 79 5.290 -17.612 4.031 600 H GLN 80 H GLN 80 9.885 -15.162 2.655 601 HA GLN 80 HA GLN 80 9.869 -12.860 4.458 602 1HB GLN 80 2HB GLN 80 12.098 -14.493 3.252 603 2HB GLN 80 1HB GLN 80 12.377 -13.035 4.190 604 1HG GLN 80 2HG GLN 80 11.286 -14.065 6.117 605 2HG GLN 80 1HG GLN 80 11.002 -15.527 5.173 606 1HE2 GLN 80 1HE2 GLN 80 12.735 -16.866 4.661 607 2HE2 GLN 80 2HE2 GLN 80 14.249 -16.762 5.485 608 H GLU 81 H GLU 81 10.185 -13.684 1.121 609 HA GLU 81 HA GLU 81 11.577 -11.581 0.035 610 1HB GLU 81 2HB GLU 81 9.155 -13.030 -1.031 611 2HB GLU 81 1HB GLU 81 10.107 -11.903 -1.986 612 1HG GLU 81 2HG GLU 81 12.077 -13.315 -1.691 613 2HG GLU 81 1HG GLU 81 11.123 -14.441 -0.728 614 H LEU 82 H LEU 82 8.214 -11.611 1.106 615 HA LEU 82 HA LEU 82 7.498 -9.115 0.019 616 1HB LEU 82 2HB LEU 82 6.028 -9.651 2.386 617 2HB LEU 82 1HB LEU 82 5.483 -9.730 0.731 618 HG LEU 82 HG LEU 82 6.858 -12.012 2.154 619 1HD1 LEU 82 1HD1 LEU 82 3.916 -11.474 1.814 620 2HD1 LEU 82 2HD1 LEU 82 4.814 -11.498 3.332 621 3HD1 LEU 82 3HD1 LEU 82 4.615 -12.982 2.399 622 1HD2 LEU 82 1HD2 LEU 82 5.206 -11.895 -0.369 623 2HD2 LEU 82 2HD2 LEU 82 5.897 -13.351 0.347 624 3HD2 LEU 82 3HD2 LEU 82 6.956 -12.093 -0.289 625 H LEU 83 H LEU 83 8.183 -10.018 3.404 626 HA LEU 83 HA LEU 83 8.211 -7.411 4.416 627 1HB LEU 83 2HB LEU 83 9.581 -9.917 5.385 628 2HB LEU 83 1HB LEU 83 9.564 -8.415 6.292 629 HG LEU 83 HG LEU 83 7.079 -9.928 5.486 630 1HD1 LEU 83 1HD1 LEU 83 8.415 -11.249 7.035 631 2HD1 LEU 83 2HD1 LEU 83 6.964 -10.631 7.823 632 3HD1 LEU 83 3HD1 LEU 83 8.526 -9.871 8.131 633 1HD2 LEU 83 1HD2 LEU 83 7.513 -7.640 7.406 634 2HD2 LEU 83 2HD2 LEU 83 5.986 -8.477 7.126 635 3HD2 LEU 83 3HD2 LEU 83 6.727 -7.539 5.830 636 H ASN 84 H ASN 84 10.577 -9.174 2.633 637 HA ASN 84 HA ASN 84 12.859 -7.670 3.420 638 1HB ASN 84 2HB ASN 84 13.077 -9.893 2.418 639 2HB ASN 84 1HB ASN 84 12.364 -9.303 0.920 640 1HD2 ASN 84 1HD2 ASN 84 15.170 -9.289 2.964 641 2HD2 ASN 84 2HD2 ASN 84 16.261 -8.617 1.805 642 H ARG 85 H ARG 85 10.761 -7.555 0.543 643 HA ARG 85 HA ARG 85 12.070 -5.252 -0.533 644 1HB ARG 85 2HB ARG 85 10.253 -5.223 -2.173 645 2HB ARG 85 1HB ARG 85 10.917 -6.840 -1.990 646 1HG ARG 85 2HG ARG 85 9.037 -7.530 -0.674 647 2HG ARG 85 1HG ARG 85 8.406 -5.882 -0.636 648 1HD ARG 85 2HD ARG 85 8.755 -7.568 -3.113 649 2HD ARG 85 1HD ARG 85 7.230 -7.296 -2.270 650 HE ARG 85 HE ARG 85 8.013 -4.794 -2.801 651 1HH1 ARG 85 1HH1 ARG 85 7.858 -7.633 -4.815 652 2HH1 ARG 85 2HH1 ARG 85 7.550 -6.742 -6.268 653 1HH2 ARG 85 1HH2 ARG 85 7.608 -3.615 -4.708 654 2HH2 ARG 85 2HH2 ARG 85 7.409 -4.458 -6.208 655 H VAL 86 H VAL 86 9.634 -5.742 1.818 656 HA VAL 86 HA VAL 86 8.334 -3.208 1.545 657 HB VAL 86 HB VAL 86 8.320 -5.284 3.729 658 1HG1 VAL 86 1HG1 VAL 86 6.859 -2.648 3.641 659 2HG1 VAL 86 2HG1 VAL 86 6.449 -3.976 4.728 660 3HG1 VAL 86 3HG1 VAL 86 8.021 -3.186 4.853 661 1HG2 VAL 86 1HG2 VAL 86 7.154 -5.656 1.509 662 2HG2 VAL 86 2HG2 VAL 86 6.157 -5.816 2.955 663 3HG2 VAL 86 3HG2 VAL 86 6.062 -4.353 1.976 664 H LEU 87 H LEU 87 10.410 -4.498 4.158 665 HA LEU 87 HA LEU 87 10.833 -2.003 5.377 666 1HB LEU 87 2HB LEU 87 11.991 -4.707 5.593 667 2HB LEU 87 1HB LEU 87 13.031 -3.400 6.126 668 HG LEU 87 HG LEU 87 11.308 -2.663 7.711 669 1HD1 LEU 87 1HD1 LEU 87 9.773 -5.079 6.765 670 2HD1 LEU 87 2HD1 LEU 87 9.330 -3.394 6.492 671 3HD1 LEU 87 3HD1 LEU 87 9.339 -4.047 8.130 672 1HD2 LEU 87 1HD2 LEU 87 11.473 -4.548 9.259 673 2HD2 LEU 87 2HD2 LEU 87 13.009 -4.240 8.447 674 3HD2 LEU 87 3HD2 LEU 87 11.995 -5.589 7.935 675 H ASN 88 H ASN 88 12.335 -3.534 2.656 676 HA ASN 88 HA ASN 88 14.717 -1.959 2.643 677 1HB ASN 88 2HB ASN 88 14.459 -4.159 1.470 678 2HB ASN 88 1HB ASN 88 13.408 -3.364 0.308 679 1HD2 ASN 88 1HD2 ASN 88 16.659 -3.693 1.473 680 2HD2 ASN 88 2HD2 ASN 88 17.434 -2.914 0.141 681 H ALA 89 H ALA 89 11.716 -1.856 0.752 682 HA ALA 89 HA ALA 89 12.295 0.449 -0.724 683 1HB ALA 89 1HB ALA 89 9.906 0.565 -1.178 684 2HB ALA 89 2HB ALA 89 10.482 -1.098 -1.290 685 3HB ALA 89 3HB ALA 89 9.589 -0.568 0.134 686 H HIS 90 H HIS 90 10.493 0.097 2.329 687 HA HIS 90 HA HIS 90 9.857 2.798 2.674 688 1HB HIS 90 2HB HIS 90 8.831 0.978 3.983 689 2HB HIS 90 1HB HIS 90 10.364 0.712 4.806 690 HD1 HIS 90 HD1 HIS 90 7.419 2.989 4.721 691 HD2 HIS 90 HD2 HIS 90 11.024 2.635 6.755 692 HE1 HIS 90 HE1 HIS 90 7.252 4.577 6.663 693 HE2 HIS 90 HE2 HIS 90 9.480 4.410 7.829 694 H GLY 91 H GLY 91 12.508 0.920 4.137 695 1HA GLY 91 1HA GLY 91 13.810 3.030 5.409 696 2HA GLY 91 2HA GLY 91 14.594 1.552 4.860 697 H TYR 92 H TYR 92 13.930 1.978 2.072 698 HA TYR 92 HA TYR 92 16.202 3.433 1.264 699 1HB TYR 92 2HB TYR 92 15.513 1.781 -0.235 700 2HB TYR 92 1HB TYR 92 13.824 2.266 -0.150 701 HD1 TYR 92 HD1 TYR 92 12.969 4.018 -1.545 702 HD2 TYR 92 HD2 TYR 92 17.093 2.996 -1.669 703 HE1 TYR 92 HE1 TYR 92 13.212 5.304 -3.616 704 HE2 TYR 92 HE2 TYR 92 17.354 4.285 -3.749 705 HH TYR 92 HH TYR 92 14.993 6.439 -4.885 706 H TRP 93 H TRP 93 12.752 4.296 1.312 707 HA TRP 93 HA TRP 93 12.986 6.799 0.080 708 1HB TRP 93 2HB TRP 93 11.042 6.075 2.285 709 2HB TRP 93 1HB TRP 93 10.863 7.374 1.116 710 HD1 TRP 93 HD1 TRP 93 11.675 5.491 -1.460 711 HE1 TRP 93 HE1 TRP 93 9.878 3.863 -2.329 712 HE3 TRP 93 HE3 TRP 93 8.727 5.244 2.704 713 HZ2 TRP 93 HZ2 TRP 93 7.516 2.643 -1.369 714 HZ3 TRP 93 HZ3 TRP 93 6.716 3.830 2.649 715 HH2 TRP 93 HH2 TRP 93 6.124 2.556 0.653 716 H THR 94 H THR 94 12.778 6.067 3.559 717 HA THR 94 HA THR 94 13.343 8.677 4.434 718 HB THR 94 HB THR 94 13.754 7.675 6.644 719 HG1 THR 94 HG1 THR 94 14.255 5.480 5.132 720 1HG2 THR 94 1HG2 THR 94 11.455 8.083 5.925 721 2HG2 THR 94 2HG2 THR 94 11.548 6.638 6.929 722 3HG2 THR 94 3HG2 THR 94 11.394 6.487 5.178 723 H GLN 95 H GLN 95 15.493 5.987 3.688 724 HA GLN 95 HA GLN 95 17.787 7.343 4.825 725 1HB GLN 95 2HB GLN 95 17.482 4.731 3.359 726 2HB GLN 95 1HB GLN 95 19.044 5.368 3.855 727 1HG GLN 95 2HG GLN 95 18.314 5.344 6.186 728 2HG GLN 95 1HG GLN 95 16.751 4.702 5.688 729 1HE2 GLN 95 1HE2 GLN 95 16.608 2.574 4.976 730 2HE2 GLN 95 2HE2 GLN 95 17.857 1.418 5.277 731 H GLN 96 H GLN 96 17.133 6.033 1.565 732 HA GLN 96 HA GLN 96 19.227 7.410 0.346 733 1HB GLN 96 2HB GLN 96 17.953 5.466 -0.621 734 2HB GLN 96 1HB GLN 96 16.665 6.595 -1.019 735 1HG GLN 96 2HG GLN 96 18.030 6.202 -2.957 736 2HG GLN 96 1HG GLN 96 18.234 7.866 -2.414 737 1HE2 GLN 96 1HE2 GLN 96 20.217 8.076 -3.434 738 2HE2 GLN 96 2HE2 GLN 96 21.645 7.300 -2.848 739 H GLN 97 H GLN 97 16.266 8.573 1.510 740 HA GLN 97 HA GLN 97 15.249 10.602 1.474 741 1HB GLN 97 2HB GLN 97 17.947 11.488 0.442 742 2HB GLN 97 1HB GLN 97 16.669 12.582 0.949 743 1HG GLN 97 2HG GLN 97 17.657 10.489 2.829 744 2HG GLN 97 1HG GLN 97 18.593 11.960 2.581 745 1HE2 GLN 97 1HE2 GLN 97 15.107 11.896 2.404 746 2HE2 GLN 97 2HE2 GLN 97 14.823 12.787 3.854 747 H MET 98 H MET 98 14.265 9.229 -0.457 748 HA MET 98 HA MET 98 13.278 9.228 -2.507 749 1HB MET 98 2HB MET 98 13.659 12.217 -2.258 750 2HB MET 98 1HB MET 98 12.557 11.413 -3.366 751 1HG MET 98 2HG MET 98 11.217 12.135 -1.599 752 2HG MET 98 1HG MET 98 11.457 10.413 -1.308 753 1HE MET 98 1HE MET 98 10.596 10.788 1.204 754 2HE MET 98 2HE MET 98 10.402 12.511 0.886 755 3HE MET 98 3HE MET 98 11.301 11.972 2.305 756 H GLN 99 H GLN 99 16.280 9.232 -2.305 757 HA GLN 99 HA GLN 99 17.990 8.927 -3.773 758 1HB GLN 99 2HB GLN 99 16.296 8.132 -5.392 759 2HB GLN 99 1HB GLN 99 16.056 9.790 -5.930 760 1HG GLN 99 2HG GLN 99 18.383 9.887 -6.669 761 2HG GLN 99 1HG GLN 99 18.615 8.221 -6.141 762 1HE2 GLN 99 1HE2 GLN 99 17.141 10.310 -8.493 763 2HE2 GLN 99 2HE2 GLN 99 16.743 9.079 -9.638 764 H GLN 100 H GLN 100 16.077 11.856 -4.332 765 HA GLN 100 HA GLN 100 18.475 13.460 -4.011 766 1HB GLN 100 2HB GLN 100 16.838 13.425 -6.541 767 2HB GLN 100 1HB GLN 100 17.813 14.814 -6.084 768 1HG GLN 100 2HG GLN 100 18.882 12.028 -6.467 769 2HG GLN 100 1HG GLN 100 18.922 13.298 -7.688 770 1HE2 GLN 100 1HE2 GLN 100 20.300 15.054 -7.410 771 2HE2 GLN 100 2HE2 GLN 100 21.611 15.024 -6.286 772 H LEU 101 H LEU 101 18.049 15.636 -3.467 773 HA LEU 101 HA LEU 101 15.487 16.016 -2.195 774 1HB LEU 101 2HB LEU 101 16.532 18.231 -1.516 775 2HB LEU 101 1HB LEU 101 17.287 16.773 -0.904 776 HG LEU 101 HG LEU 101 18.920 17.016 -2.881 777 1HD1 LEU 101 1HD1 LEU 101 17.713 18.666 -4.163 778 2HD1 LEU 101 2HD1 LEU 101 19.249 19.344 -3.625 779 3HD1 LEU 101 3HD1 LEU 101 17.751 19.793 -2.807 780 1HD2 LEU 101 1HD2 LEU 101 19.544 17.365 -0.556 781 2HD2 LEU 101 2HD2 LEU 101 18.936 19.019 -0.628 782 3HD2 LEU 101 3HD2 LEU 101 20.332 18.548 -1.600 783 H GLN 102 H GLN 102 16.626 16.507 -5.260 784 HA GLN 102 HA GLN 102 14.518 18.474 -5.806 785 1HB GLN 102 2HB GLN 102 16.668 19.672 -5.759 786 2HB GLN 102 1HB GLN 102 17.311 18.566 -6.964 787 1HG GLN 102 2HG GLN 102 15.649 19.348 -8.571 788 2HG GLN 102 1HG GLN 102 15.006 20.460 -7.363 789 1HE2 GLN 102 1HE2 GLN 102 17.647 19.765 -9.509 790 2HE2 GLN 102 2HE2 GLN 102 18.401 21.317 -9.414 791 H GLN 103 H GLN 103 13.326 18.066 -7.596 792 HA GLN 103 HA GLN 103 12.426 16.890 -9.322 793 1HB GLN 103 2HB GLN 103 15.342 16.477 -9.999 794 2HB GLN 103 1HB GLN 103 14.006 16.099 -11.076 795 1HG GLN 103 2HG GLN 103 13.348 18.448 -11.096 796 2HG GLN 103 1HG GLN 103 14.682 18.830 -10.007 797 1HE2 GLN 103 1HE2 GLN 103 14.118 19.804 -12.701 798 2HE2 GLN 103 2HE2 GLN 103 15.511 19.421 -13.648 799 H ASN 104 H ASN 104 11.470 15.306 -8.030 800 HA ASN 104 HA ASN 104 12.954 12.828 -7.609 801 1HB ASN 104 2HB ASN 104 10.172 13.621 -6.720 802 2HB ASN 104 1HB ASN 104 11.002 12.134 -6.273 803 1HD2 ASN 104 1HD2 ASN 104 9.980 14.293 -4.600 804 2HD2 ASN 104 2HD2 ASN 104 11.328 14.866 -3.685 805 H VAL 105 H VAL 105 13.019 12.549 -9.985 806 HA VAL 105 HA VAL 105 12.391 11.443 -11.872 807 HB VAL 105 HB VAL 105 10.321 10.118 -10.114 808 1HG1 VAL 105 1HG1 VAL 105 9.935 9.766 -12.488 809 2HG1 VAL 105 2HG1 VAL 105 11.604 9.239 -12.699 810 3HG1 VAL 105 3HG1 VAL 105 10.492 8.276 -11.727 811 1HG2 VAL 105 1HG2 VAL 105 13.178 9.317 -10.662 812 2HG2 VAL 105 2HG2 VAL 105 12.536 9.903 -9.128 813 3HG2 VAL 105 3HG2 VAL 105 11.995 8.355 -9.777 Start of MODEL 4 1 H GLN 9 H GLN 9 -25.426 3.277 -3.247 2 HA GLN 9 HA GLN 9 -22.898 1.912 -2.754 3 1HB GLN 9 2HB GLN 9 -24.475 0.886 -1.173 4 2HB GLN 9 1HB GLN 9 -25.576 0.530 -2.498 5 1HG GLN 9 2HG GLN 9 -24.350 -1.450 -1.870 6 2HG GLN 9 1HG GLN 9 -23.896 -0.942 -3.495 7 1HE2 GLN 9 1HE2 GLN 9 -21.939 -2.025 -3.411 8 2HE2 GLN 9 2HE2 GLN 9 -20.615 -1.471 -2.448 9 H ARG 10 H ARG 10 -26.006 1.540 -4.469 10 HA ARG 10 HA ARG 10 -24.927 0.171 -6.681 11 1HB ARG 10 2HB ARG 10 -27.440 1.843 -6.499 12 2HB ARG 10 1HB ARG 10 -27.057 0.731 -7.805 13 1HG ARG 10 2HG ARG 10 -27.068 -1.132 -6.217 14 2HG ARG 10 1HG ARG 10 -27.477 -0.010 -4.918 15 1HD ARG 10 2HD ARG 10 -29.552 0.572 -6.070 16 2HD ARG 10 1HD ARG 10 -29.143 -0.538 -7.376 17 HE ARG 10 HE ARG 10 -29.138 -1.910 -4.910 18 1HH1 ARG 10 1HH1 ARG 10 -31.318 -0.473 -7.219 19 2HH1 ARG 10 2HH1 ARG 10 -32.633 -1.530 -6.828 20 1HH2 ARG 10 1HH2 ARG 10 -30.864 -3.304 -4.390 21 2HH2 ARG 10 2HH2 ARG 10 -32.377 -3.139 -5.219 22 H ARG 11 H ARG 11 -26.038 3.557 -6.470 23 HA ARG 11 HA ARG 11 -24.657 4.216 -8.925 24 1HB ARG 11 2HB ARG 11 -26.857 5.202 -8.417 25 2HB ARG 11 1HB ARG 11 -26.174 5.988 -7.001 26 1HG ARG 11 2HG ARG 11 -24.680 7.282 -8.446 27 2HG ARG 11 1HG ARG 11 -25.386 6.501 -9.862 28 1HD ARG 11 2HD ARG 11 -26.367 8.699 -9.511 29 2HD ARG 11 1HD ARG 11 -27.573 7.434 -9.283 30 HE ARG 11 HE ARG 11 -26.533 7.965 -6.782 31 1HH1 ARG 11 1HH1 ARG 11 -28.239 9.726 -9.260 32 2HH1 ARG 11 2HH1 ARG 11 -29.012 10.800 -8.142 33 1HH2 ARG 11 1HH2 ARG 11 -27.548 9.375 -5.305 34 2HH2 ARG 11 2HH2 ARG 11 -28.620 10.601 -5.896 35 H ILE 12 H ILE 12 -22.574 4.700 -8.973 36 HA ILE 12 HA ILE 12 -21.433 6.329 -6.825 37 HB ILE 12 HB ILE 12 -20.882 4.002 -6.265 38 1HG1 ILE 12 2HG1 ILE 12 -18.396 4.268 -6.182 39 2HG1 ILE 12 1HG1 ILE 12 -18.550 5.664 -7.244 40 1HG2 ILE 12 1HG2 ILE 12 -19.516 3.948 -8.952 41 2HG2 ILE 12 2HG2 ILE 12 -20.958 3.041 -8.494 42 3HG2 ILE 12 3HG2 ILE 12 -19.412 2.689 -7.721 43 1HD1 ILE 12 1HD1 ILE 12 -19.736 5.402 -4.490 44 2HD1 ILE 12 2HD1 ILE 12 -19.882 6.803 -5.551 45 3HD1 ILE 12 3HD1 ILE 12 -18.303 6.333 -4.925 46 H ARG 13 H ARG 13 -19.747 7.670 -7.457 47 HA ARG 13 HA ARG 13 -19.594 8.169 -10.304 48 1HB ARG 13 2HB ARG 13 -19.850 10.042 -8.737 49 2HB ARG 13 1HB ARG 13 -18.319 9.623 -7.979 50 1HG ARG 13 2HG ARG 13 -17.124 10.152 -10.009 51 2HG ARG 13 1HG ARG 13 -18.644 10.468 -10.851 52 1HD ARG 13 2HD ARG 13 -17.546 12.543 -10.143 53 2HD ARG 13 1HD ARG 13 -19.108 12.326 -9.355 54 HE ARG 13 HE ARG 13 -16.917 11.330 -7.799 55 1HH1 ARG 13 1HH1 ARG 13 -18.751 14.175 -8.631 56 2HH1 ARG 13 2HH1 ARG 13 -18.364 15.010 -7.164 57 1HH2 ARG 13 1HH2 ARG 13 -16.406 12.421 -5.863 58 2HH2 ARG 13 2HH2 ARG 13 -17.031 14.013 -5.591 59 H ARG 14 H ARG 14 -16.949 8.315 -7.938 60 HA ARG 14 HA ARG 14 -15.423 6.395 -9.534 61 1HB ARG 14 2HB ARG 14 -14.447 9.160 -8.805 62 2HB ARG 14 1HB ARG 14 -13.433 7.887 -9.469 63 1HG ARG 14 2HG ARG 14 -14.787 7.864 -11.502 64 2HG ARG 14 1HG ARG 14 -15.803 9.145 -10.836 65 1HD ARG 14 2HD ARG 14 -12.847 9.342 -11.412 66 2HD ARG 14 1HD ARG 14 -14.139 10.040 -12.387 67 HE ARG 14 HE ARG 14 -14.411 10.995 -9.777 68 1HH1 ARG 14 1HH1 ARG 14 -12.193 11.227 -12.457 69 2HH1 ARG 14 2HH1 ARG 14 -11.644 12.813 -12.030 70 1HH2 ARG 14 1HH2 ARG 14 -13.691 13.083 -9.209 71 2HH2 ARG 14 2HH2 ARG 14 -12.494 13.868 -10.185 72 HA PRO 15 HA PRO 15 -14.745 5.621 -5.068 73 1HB PRO 15 2HB PRO 15 -15.166 2.986 -5.085 74 2HB PRO 15 1HB PRO 15 -16.516 4.125 -5.141 75 1HG PRO 15 2HG PRO 15 -15.271 2.552 -7.356 76 2HG PRO 15 1HG PRO 15 -16.983 2.895 -7.050 77 1HD PRO 15 2HD PRO 15 -15.389 4.266 -8.853 78 2HD PRO 15 1HD PRO 15 -16.887 4.893 -8.142 79 H PHE 16 H PHE 16 -12.749 5.368 -4.280 80 HA PHE 16 HA PHE 16 -10.774 3.921 -5.902 81 1HB PHE 16 2HB PHE 16 -10.500 6.105 -3.843 82 2HB PHE 16 1HB PHE 16 -9.119 5.152 -4.381 83 HD1 PHE 16 HD1 PHE 16 -11.560 7.702 -5.307 84 HD2 PHE 16 HD2 PHE 16 -8.247 5.379 -6.623 85 HE1 PHE 16 HE1 PHE 16 -11.279 9.204 -7.237 86 HE2 PHE 16 HE2 PHE 16 -7.959 6.876 -8.555 87 HZ PHE 16 HZ PHE 16 -9.476 8.792 -8.864 88 H SER 17 H SER 17 -9.938 2.070 -5.208 89 HA SER 17 HA SER 17 -10.145 1.400 -2.353 90 1HB SER 17 2HB SER 17 -11.942 0.232 -3.567 91 2HB SER 17 1HB SER 17 -10.749 -0.471 -4.657 92 HG SER 17 HG SER 17 -9.958 -1.694 -3.016 93 H VAL 18 H VAL 18 -8.815 -0.751 -1.995 94 HA VAL 18 HA VAL 18 -6.137 -0.172 -2.265 95 HB VAL 18 HB VAL 18 -7.014 -1.845 -0.693 96 1HG1 VAL 18 1HG1 VAL 18 -8.635 -2.928 -2.148 97 2HG1 VAL 18 2HG1 VAL 18 -7.332 -3.588 -3.133 98 3HG1 VAL 18 3HG1 VAL 18 -7.525 -4.114 -1.462 99 1HG2 VAL 18 1HG2 VAL 18 -5.203 -3.486 -0.915 100 2HG2 VAL 18 2HG2 VAL 18 -4.908 -2.931 -2.564 101 3HG2 VAL 18 3HG2 VAL 18 -4.632 -1.841 -1.204 102 H ALA 19 H ALA 19 -8.281 -1.605 -4.574 103 HA ALA 19 HA ALA 19 -6.500 -2.960 -6.231 104 1HB ALA 19 1HB ALA 19 -8.153 -2.761 -7.958 105 2HB ALA 19 2HB ALA 19 -8.983 -2.995 -6.420 106 3HB ALA 19 3HB ALA 19 -8.906 -1.390 -7.145 107 H GLU 20 H GLU 20 -7.696 0.380 -6.619 108 HA GLU 20 HA GLU 20 -5.862 1.045 -8.670 109 1HB GLU 20 2HB GLU 20 -7.968 2.269 -8.311 110 2HB GLU 20 1HB GLU 20 -7.360 2.865 -6.773 111 1HG GLU 20 2HG GLU 20 -7.182 4.566 -8.480 112 2HG GLU 20 1HG GLU 20 -5.581 4.064 -7.938 113 H VAL 21 H VAL 21 -5.793 1.311 -5.173 114 HA VAL 21 HA VAL 21 -3.586 2.978 -4.849 115 HB VAL 21 HB VAL 21 -4.403 0.644 -3.108 116 1HG1 VAL 21 1HG1 VAL 21 -3.232 1.852 -1.314 117 2HG1 VAL 21 2HG1 VAL 21 -2.138 1.361 -2.607 118 3HG1 VAL 21 3HG1 VAL 21 -2.673 3.039 -2.492 119 1HG2 VAL 21 1HG2 VAL 21 -5.114 3.565 -2.863 120 2HG2 VAL 21 2HG2 VAL 21 -6.184 2.318 -3.502 121 3HG2 VAL 21 3HG2 VAL 21 -5.658 2.250 -1.820 122 H GLU 22 H GLU 22 -3.770 -0.335 -5.863 123 HA GLU 22 HA GLU 22 -1.226 -1.267 -5.247 124 1HB GLU 22 2HB GLU 22 -3.092 -2.609 -6.242 125 2HB GLU 22 1HB GLU 22 -2.756 -1.849 -7.788 126 1HG GLU 22 2HG GLU 22 -0.510 -2.802 -7.774 127 2HG GLU 22 1HG GLU 22 -0.844 -3.565 -6.220 128 H ALA 23 H ALA 23 -2.299 0.324 -8.244 129 HA ALA 23 HA ALA 23 0.290 0.512 -9.375 130 1HB ALA 23 1HB ALA 23 -1.591 0.636 -10.828 131 2HB ALA 23 2HB ALA 23 -2.263 2.005 -9.942 132 3HB ALA 23 3HB ALA 23 -0.788 2.206 -10.885 133 H LEU 24 H LEU 24 -1.657 2.685 -7.400 134 HA LEU 24 HA LEU 24 -0.142 5.005 -7.596 135 1HB LEU 24 2HB LEU 24 -2.341 4.871 -6.503 136 2HB LEU 24 1HB LEU 24 -1.630 3.960 -5.185 137 HG LEU 24 HG LEU 24 -0.208 5.932 -4.645 138 1HD1 LEU 24 1HD1 LEU 24 -1.924 7.304 -6.710 139 2HD1 LEU 24 2HD1 LEU 24 -0.194 6.988 -6.837 140 3HD1 LEU 24 3HD1 LEU 24 -0.799 8.100 -5.609 141 1HD2 LEU 24 1HD2 LEU 24 -2.285 5.518 -3.440 142 2HD2 LEU 24 2HD2 LEU 24 -3.184 6.420 -4.658 143 3HD2 LEU 24 3HD2 LEU 24 -2.008 7.248 -3.638 144 H VAL 25 H VAL 25 0.129 2.410 -5.163 145 HA VAL 25 HA VAL 25 2.386 3.516 -3.879 146 HB VAL 25 HB VAL 25 2.674 1.341 -2.808 147 1HG1 VAL 25 1HG1 VAL 25 0.935 2.966 -2.056 148 2HG1 VAL 25 2HG1 VAL 25 -0.253 2.033 -2.966 149 3HG1 VAL 25 3HG1 VAL 25 0.606 1.292 -1.617 150 1HG2 VAL 25 1HG2 VAL 25 0.424 0.345 -4.545 151 2HG2 VAL 25 2HG2 VAL 25 2.125 -0.023 -4.824 152 3HG2 VAL 25 3HG2 VAL 25 1.338 -0.568 -3.345 153 H GLN 26 H GLN 26 1.999 1.500 -6.685 154 HA GLN 26 HA GLN 26 4.675 0.565 -6.845 155 1HB GLN 26 2HB GLN 26 2.794 -0.479 -8.070 156 2HB GLN 26 1HB GLN 26 2.654 0.964 -9.064 157 1HG GLN 26 2HG GLN 26 4.904 0.582 -9.936 158 2HG GLN 26 1HG GLN 26 5.041 -0.867 -8.941 159 1HE2 GLN 26 1HE2 GLN 26 2.086 0.091 -10.531 160 2HE2 GLN 26 2HE2 GLN 26 2.059 -1.193 -11.685 161 H ALA 27 H ALA 27 3.134 3.542 -7.542 162 HA ALA 27 HA ALA 27 5.261 4.520 -9.255 163 1HB ALA 27 1HB ALA 27 2.849 5.957 -8.157 164 2HB ALA 27 2HB ALA 27 3.946 6.561 -9.399 165 3HB ALA 27 3HB ALA 27 2.941 5.148 -9.720 166 H VAL 28 H VAL 28 4.211 4.817 -5.914 167 HA VAL 28 HA VAL 28 6.057 6.985 -5.367 168 HB VAL 28 HB VAL 28 5.223 6.978 -3.122 169 1HG1 VAL 28 1HG1 VAL 28 2.981 6.520 -5.086 170 2HG1 VAL 28 2HG1 VAL 28 2.827 7.317 -3.520 171 3HG1 VAL 28 3HG1 VAL 28 3.815 8.045 -4.788 172 1HG2 VAL 28 1HG2 VAL 28 3.933 4.361 -3.860 173 2HG2 VAL 28 2HG2 VAL 28 5.135 4.655 -2.606 174 3HG2 VAL 28 3HG2 VAL 28 3.500 5.289 -2.426 175 H GLU 29 H GLU 29 6.173 3.550 -5.283 176 HA GLU 29 HA GLU 29 7.918 3.105 -3.154 177 1HB GLU 29 2HB GLU 29 8.674 1.091 -4.564 178 2HB GLU 29 1HB GLU 29 6.989 1.178 -4.071 179 1HG GLU 29 2HG GLU 29 6.284 1.804 -6.218 180 2HG GLU 29 1HG GLU 29 7.924 2.166 -6.743 181 H LYS 30 H LYS 30 8.526 4.896 -5.935 182 HA LYS 30 HA LYS 30 11.406 4.363 -5.842 183 1HB LYS 30 2HB LYS 30 11.501 5.710 -7.929 184 2HB LYS 30 1HB LYS 30 10.483 4.283 -8.058 185 1HG LYS 30 2HG LYS 30 8.500 5.586 -7.907 186 2HG LYS 30 1HG LYS 30 9.418 7.035 -7.492 187 1HD LYS 30 2HD LYS 30 10.471 6.993 -9.706 188 2HD LYS 30 1HD LYS 30 9.550 5.544 -10.116 189 1HE LYS 30 2HE LYS 30 7.466 6.794 -9.851 190 2HE LYS 30 1HE LYS 30 8.382 8.240 -9.429 191 1HZ LYS 30 1HZ LYS 30 7.701 8.270 -11.744 192 2HZ LYS 30 2HZ LYS 30 8.507 6.811 -12.031 193 3HZ LYS 30 3HZ LYS 30 9.387 8.198 -11.628 194 H LEU 31 H LEU 31 9.094 7.053 -5.575 195 HA LEU 31 HA LEU 31 11.239 8.619 -4.297 196 1HB LEU 31 2HB LEU 31 9.974 10.651 -5.184 197 2HB LEU 31 1HB LEU 31 10.931 9.727 -6.323 198 HG LEU 31 HG LEU 31 8.733 8.535 -6.925 199 1HD1 LEU 31 1HD1 LEU 31 7.638 10.965 -5.518 200 2HD1 LEU 31 2HD1 LEU 31 7.392 9.281 -5.055 201 3HD1 LEU 31 3HD1 LEU 31 6.712 9.889 -6.565 202 1HD2 LEU 31 1HD2 LEU 31 9.881 10.088 -8.404 203 2HD2 LEU 31 2HD2 LEU 31 9.113 11.451 -7.588 204 3HD2 LEU 31 3HD2 LEU 31 8.133 10.304 -8.502 205 H GLY 32 H GLY 32 9.287 6.886 -3.041 206 1HA GLY 32 1HA GLY 32 7.263 8.580 -1.872 207 2HA GLY 32 2HA GLY 32 7.595 6.909 -1.452 208 H THR 33 H THR 33 7.194 7.775 0.740 209 HA THR 33 HA THR 33 9.734 8.463 1.979 210 HB THR 33 HB THR 33 7.269 10.149 2.469 211 HG1 THR 33 HG1 THR 33 8.355 10.637 0.485 212 1HG2 THR 33 1HG2 THR 33 8.628 9.855 4.478 213 2HG2 THR 33 2HG2 THR 33 8.766 11.506 3.869 214 3HG2 THR 33 3HG2 THR 33 10.069 10.349 3.588 215 H GLY 34 H GLY 34 6.272 7.819 2.468 216 1HA GLY 34 1HA GLY 34 6.890 5.762 4.388 217 2HA GLY 34 2HA GLY 34 6.158 7.186 5.110 218 H ARG 35 H ARG 35 5.207 6.510 1.899 219 HA ARG 35 HA ARG 35 3.159 6.076 1.006 220 1HB ARG 35 2HB ARG 35 2.529 3.860 1.170 221 2HB ARG 35 1HB ARG 35 4.200 3.792 1.702 222 1HG ARG 35 2HG ARG 35 2.619 4.235 4.000 223 2HG ARG 35 1HG ARG 35 1.844 2.958 3.065 224 1HD ARG 35 2HD ARG 35 3.370 1.896 4.532 225 2HD ARG 35 1HD ARG 35 4.093 1.844 2.926 226 HE ARG 35 HE ARG 35 5.558 3.643 3.617 227 1HH1 ARG 35 1HH1 ARG 35 3.801 2.002 6.140 228 2HH1 ARG 35 2HH1 ARG 35 4.901 2.475 7.391 229 1HH2 ARG 35 1HH2 ARG 35 7.010 4.270 5.259 230 2HH2 ARG 35 2HH2 ARG 35 6.724 3.763 6.891 231 H TRP 36 H TRP 36 3.272 7.645 3.618 232 HA TRP 36 HA TRP 36 1.012 7.130 5.163 233 1HB TRP 36 2HB TRP 36 1.160 9.658 5.661 234 2HB TRP 36 1HB TRP 36 2.533 8.644 6.092 235 HD1 TRP 36 HD1 TRP 36 4.758 8.884 4.578 236 HE1 TRP 36 HE1 TRP 36 5.610 10.827 3.124 237 HE3 TRP 36 HE3 TRP 36 0.412 11.546 4.153 238 HZ2 TRP 36 HZ2 TRP 36 4.577 13.180 1.953 239 HZ3 TRP 36 HZ3 TRP 36 0.431 13.634 2.849 240 HH2 TRP 36 HH2 TRP 36 2.472 14.432 1.774 241 H ARG 37 H ARG 37 1.373 9.244 2.324 242 HA ARG 37 HA ARG 37 -1.267 10.212 2.313 243 1HB ARG 37 2HB ARG 37 -0.780 10.739 -0.095 244 2HB ARG 37 1HB ARG 37 0.399 11.360 1.052 245 1HG ARG 37 2HG ARG 37 1.708 9.201 0.536 246 2HG ARG 37 1HG ARG 37 0.666 9.100 -0.887 247 1HD ARG 37 2HD ARG 37 1.369 11.418 -1.467 248 2HD ARG 37 1HD ARG 37 2.526 11.348 -0.142 249 HE ARG 37 HE ARG 37 2.984 9.132 -1.752 250 1HH1 ARG 37 1HH1 ARG 37 3.149 12.603 -2.004 251 2HH1 ARG 37 2HH1 ARG 37 4.421 12.586 -3.179 252 1HH2 ARG 37 1HH2 ARG 37 4.659 9.100 -3.299 253 2HH2 ARG 37 2HH2 ARG 37 5.278 10.596 -3.916 254 H ASP 38 H ASP 38 0.176 7.298 1.004 255 HA ASP 38 HA ASP 38 -1.973 6.551 -0.680 256 1HB ASP 38 2HB ASP 38 0.110 4.810 0.657 257 2HB ASP 38 1HB ASP 38 -0.934 4.318 -0.674 258 H VAL 39 H VAL 39 -0.999 5.195 2.470 259 HA VAL 39 HA VAL 39 -3.292 3.656 2.867 260 HB VAL 39 HB VAL 39 -1.655 4.921 5.067 261 1HG1 VAL 39 1HG1 VAL 39 -2.255 2.840 6.272 262 2HG1 VAL 39 2HG1 VAL 39 -3.650 3.840 5.867 263 3HG1 VAL 39 3HG1 VAL 39 -3.294 2.395 4.920 264 1HG2 VAL 39 1HG2 VAL 39 -1.102 2.380 3.534 265 2HG2 VAL 39 2HG2 VAL 39 -0.169 3.874 3.432 266 3HG2 VAL 39 3HG2 VAL 39 -0.205 2.957 4.939 267 H LYS 40 H LYS 40 -2.742 7.056 3.299 268 HA LYS 40 HA LYS 40 -4.889 7.605 5.064 269 1HB LYS 40 2HB LYS 40 -3.189 9.225 3.220 270 2HB LYS 40 1HB LYS 40 -4.664 9.944 3.846 271 1HG LYS 40 2HG LYS 40 -3.899 9.624 6.116 272 2HG LYS 40 1HG LYS 40 -2.452 8.797 5.536 273 1HD LYS 40 2HD LYS 40 -1.764 10.847 4.370 274 2HD LYS 40 1HD LYS 40 -3.200 11.669 4.980 275 1HE LYS 40 2HE LYS 40 -2.427 11.324 7.272 276 2HE LYS 40 1HE LYS 40 -0.999 10.484 6.669 277 1HZ LYS 40 1HZ LYS 40 -0.316 12.519 5.560 278 2HZ LYS 40 2HZ LYS 40 -0.506 12.781 7.221 279 3HZ LYS 40 3HZ LYS 40 -1.687 13.324 6.138 280 H LEU 41 H LEU 41 -4.601 7.681 1.526 281 HA LEU 41 HA LEU 41 -7.531 7.918 1.370 282 1HB LEU 41 2HB LEU 41 -5.369 8.792 -0.535 283 2HB LEU 41 1HB LEU 41 -7.047 8.662 -1.023 284 HG LEU 41 HG LEU 41 -7.583 10.290 0.855 285 1HD1 LEU 41 1HD1 LEU 41 -5.555 10.088 2.145 286 2HD1 LEU 41 2HD1 LEU 41 -5.717 11.743 1.558 287 3HD1 LEU 41 3HD1 LEU 41 -4.592 10.635 0.774 288 1HD2 LEU 41 1HD2 LEU 41 -6.944 12.233 -0.486 289 2HD2 LEU 41 2HD2 LEU 41 -7.581 10.932 -1.493 290 3HD2 LEU 41 3HD2 LEU 41 -5.842 11.223 -1.422 291 H CYS 42 H CYS 42 -5.847 5.465 1.707 292 HA CYS 42 HA CYS 42 -5.645 3.997 -0.649 293 1HB CYS 42 2HB CYS 42 -4.682 3.233 1.466 294 2HB CYS 42 1HB CYS 42 -6.293 3.013 2.139 295 HG CYS 42 HG CYS 42 -6.969 0.966 0.305 296 H ALA 43 H ALA 43 -8.349 4.318 1.598 297 HA ALA 43 HA ALA 43 -10.347 4.123 -0.370 298 1HB ALA 43 1HB ALA 43 -9.624 1.791 -0.532 299 2HB ALA 43 2HB ALA 43 -9.917 1.579 1.194 300 3HB ALA 43 3HB ALA 43 -11.263 1.909 0.105 301 H PHE 44 H PHE 44 -9.528 5.442 2.203 302 HA PHE 44 HA PHE 44 -10.530 6.435 3.965 303 1HB PHE 44 2HB PHE 44 -13.079 5.189 2.901 304 2HB PHE 44 1HB PHE 44 -12.969 6.475 4.094 305 HD1 PHE 44 HD1 PHE 44 -12.172 8.720 3.424 306 HD2 PHE 44 HD2 PHE 44 -12.923 5.643 0.582 307 HE1 PHE 44 HE1 PHE 44 -12.234 10.399 1.627 308 HE2 PHE 44 HE2 PHE 44 -12.986 7.316 -1.220 309 HZ PHE 44 HZ PHE 44 -12.643 9.700 -0.698 310 H GLU 45 H GLU 45 -9.715 3.515 3.656 311 HA GLU 45 HA GLU 45 -11.197 2.224 5.751 312 1HB GLU 45 2HB GLU 45 -8.830 1.321 4.112 313 2HB GLU 45 1HB GLU 45 -9.609 0.329 5.338 314 1HG GLU 45 2HG GLU 45 -10.925 1.414 2.859 315 2HG GLU 45 1HG GLU 45 -10.362 -0.241 3.092 316 H ASP 46 H ASP 46 -7.907 3.446 5.246 317 HA ASP 46 HA ASP 46 -7.517 3.301 8.166 318 1HB ASP 46 2HB ASP 46 -5.436 3.041 5.988 319 2HB ASP 46 1HB ASP 46 -5.093 3.083 7.715 320 H ALA 47 H ALA 47 -8.640 5.448 6.455 321 HA ALA 47 HA ALA 47 -6.766 7.542 6.177 322 1HB ALA 47 1HB ALA 47 -8.912 7.500 4.997 323 2HB ALA 47 2HB ALA 47 -9.757 7.726 6.528 324 3HB ALA 47 3HB ALA 47 -8.699 8.996 5.908 325 H ASP 48 H ASP 48 -7.686 6.085 8.958 326 HA ASP 48 HA ASP 48 -7.490 8.568 10.531 327 1HB ASP 48 2HB ASP 48 -8.734 5.921 11.308 328 2HB ASP 48 1HB ASP 48 -8.612 7.332 12.354 329 H HIS 49 H HIS 49 -5.841 5.823 9.596 330 HA HIS 49 HA HIS 49 -3.861 4.887 10.196 331 1HB HIS 49 2HB HIS 49 -3.563 7.227 12.087 332 2HB HIS 49 1HB HIS 49 -2.278 6.192 11.473 333 HD1 HIS 49 HD1 HIS 49 -4.397 9.106 10.576 334 HD2 HIS 49 HD2 HIS 49 -1.522 6.693 8.793 335 HE1 HIS 49 HE1 HIS 49 -3.709 10.315 8.482 336 HE2 HIS 49 HE2 HIS 49 -2.002 8.815 7.395 337 H ARG 50 H ARG 50 -3.966 3.041 11.264 338 HA ARG 50 HA ARG 50 -5.187 2.939 13.903 339 1HB ARG 50 2HB ARG 50 -5.839 1.276 12.214 340 2HB ARG 50 1HB ARG 50 -4.176 0.712 12.125 341 1HG ARG 50 2HG ARG 50 -4.268 -0.082 14.391 342 2HG ARG 50 1HG ARG 50 -5.874 0.614 14.609 343 1HD ARG 50 2HD ARG 50 -5.965 -1.806 14.206 344 2HD ARG 50 1HD ARG 50 -6.781 -0.893 12.936 345 HE ARG 50 HE ARG 50 -4.098 -1.392 12.207 346 1HH1 ARG 50 1HH1 ARG 50 -7.172 -2.995 12.559 347 2HH1 ARG 50 2HH1 ARG 50 -6.825 -4.199 11.363 348 1HH2 ARG 50 1HH2 ARG 50 -3.634 -2.972 10.631 349 2HH2 ARG 50 2HH2 ARG 50 -4.815 -4.188 10.268 350 H THR 51 H THR 51 -2.172 1.706 12.422 351 HA THR 51 HA THR 51 -0.645 2.500 14.743 352 HB THR 51 HB THR 51 -0.715 -0.443 14.062 353 HG1 THR 51 HG1 THR 51 -1.968 -0.676 15.947 354 1HG2 THR 51 1HG2 THR 51 0.375 -0.598 16.325 355 2HG2 THR 51 2HG2 THR 51 0.545 1.158 16.282 356 3HG2 THR 51 3HG2 THR 51 1.351 0.161 15.070 357 H TYR 52 H TYR 52 1.688 2.171 14.415 358 HA TYR 52 HA TYR 52 2.460 2.785 11.788 359 1HB TYR 52 2HB TYR 52 4.722 2.800 12.560 360 2HB TYR 52 1HB TYR 52 3.712 3.476 13.826 361 HD1 TYR 52 HD1 TYR 52 2.783 1.276 15.389 362 HD2 TYR 52 HD2 TYR 52 6.528 1.708 13.423 363 HE1 TYR 52 HE1 TYR 52 3.802 -0.251 17.015 364 HE2 TYR 52 HE2 TYR 52 7.559 0.173 15.044 365 HH TYR 52 HH TYR 52 5.745 -1.749 17.170 366 H VAL 53 H VAL 53 2.797 -0.266 13.609 367 HA VAL 53 HA VAL 53 3.975 -1.604 11.357 368 HB VAL 53 HB VAL 53 2.889 -2.683 13.960 369 1HG1 VAL 53 1HG1 VAL 53 4.267 -4.158 11.713 370 2HG1 VAL 53 2HG1 VAL 53 3.955 -4.820 13.319 371 3HG1 VAL 53 3HG1 VAL 53 2.607 -4.393 12.266 372 1HG2 VAL 53 1HG2 VAL 53 4.988 -1.330 13.994 373 2HG2 VAL 53 2HG2 VAL 53 5.187 -2.991 14.556 374 3HG2 VAL 53 3HG2 VAL 53 5.721 -2.535 12.937 375 H ASP 54 H ASP 54 0.754 -1.463 12.828 376 HA ASP 54 HA ASP 54 -0.489 -3.429 11.279 377 1HB ASP 54 2HB ASP 54 -1.569 -0.892 12.514 378 2HB ASP 54 1HB ASP 54 -2.599 -2.047 11.674 379 H LEU 55 H LEU 55 -0.031 0.024 10.667 380 HA LEU 55 HA LEU 55 -1.337 0.091 8.164 381 1HB LEU 55 2HB LEU 55 -0.912 2.135 9.371 382 2HB LEU 55 1HB LEU 55 0.813 1.839 9.367 383 HG LEU 55 HG LEU 55 -0.575 2.136 6.740 384 1HD1 LEU 55 1HD1 LEU 55 -1.463 3.979 8.068 385 2HD1 LEU 55 2HD1 LEU 55 -0.330 4.563 6.848 386 3HD1 LEU 55 3HD1 LEU 55 0.174 4.442 8.534 387 1HD2 LEU 55 1HD2 LEU 55 1.570 3.225 6.165 388 2HD2 LEU 55 2HD2 LEU 55 1.775 1.569 6.740 389 3HD2 LEU 55 3HD2 LEU 55 2.133 2.925 7.810 390 H LYS 56 H LYS 56 1.928 -0.632 9.200 391 HA LYS 56 HA LYS 56 3.105 -0.764 6.626 392 1HB LYS 56 2HB LYS 56 4.462 -0.520 8.641 393 2HB LYS 56 1HB LYS 56 3.905 -2.078 9.231 394 1HG LYS 56 2HG LYS 56 6.115 -2.334 8.358 395 2HG LYS 56 1HG LYS 56 4.986 -3.153 7.279 396 1HD LYS 56 2HD LYS 56 6.590 -1.938 5.960 397 2HD LYS 56 1HD LYS 56 5.016 -1.154 5.808 398 1HE LYS 56 2HE LYS 56 5.679 0.543 7.410 399 2HE LYS 56 1HE LYS 56 7.221 -0.272 7.671 400 1HZ LYS 56 1HZ LYS 56 6.312 0.934 5.112 401 2HZ LYS 56 2HZ LYS 56 7.792 0.153 5.360 402 3HZ LYS 56 3HZ LYS 56 7.455 1.601 6.167 403 H ASP 57 H ASP 57 1.172 -2.931 8.510 404 HA ASP 57 HA ASP 57 1.849 -5.313 7.103 405 1HB ASP 57 2HB ASP 57 -0.465 -4.606 8.909 406 2HB ASP 57 1HB ASP 57 -0.256 -6.200 8.195 407 H LYS 58 H LYS 58 -0.683 -2.878 6.849 408 HA LYS 58 HA LYS 58 -2.229 -4.191 4.880 409 1HB LYS 58 2HB LYS 58 -3.064 -2.303 6.245 410 2HB LYS 58 1HB LYS 58 -1.955 -1.224 5.412 411 1HG LYS 58 2HG LYS 58 -4.140 -0.956 4.479 412 2HG LYS 58 1HG LYS 58 -3.112 -1.752 3.286 413 1HD LYS 58 2HD LYS 58 -4.068 -3.916 3.897 414 2HD LYS 58 1HD LYS 58 -5.083 -3.130 5.110 415 1HE LYS 58 2HE LYS 58 -6.180 -1.838 3.340 416 2HE LYS 58 1HE LYS 58 -5.174 -2.640 2.134 417 1HZ LYS 58 1HZ LYS 58 -7.128 -3.982 3.925 418 2HZ LYS 58 2HZ LYS 58 -6.163 -4.751 2.769 419 3HZ LYS 58 3HZ LYS 58 -7.357 -3.657 2.280 420 H TRP 59 H TRP 59 0.575 -2.097 4.756 421 HA TRP 59 HA TRP 59 0.515 -1.706 1.921 422 1HB TRP 59 2HB TRP 59 1.653 0.000 2.991 423 2HB TRP 59 1HB TRP 59 2.387 -1.081 4.165 424 HD1 TRP 59 HD1 TRP 59 4.584 -2.452 3.339 425 HE1 TRP 59 HE1 TRP 59 6.373 -1.829 1.590 426 HE3 TRP 59 HE3 TRP 59 2.018 1.172 0.814 427 HZ2 TRP 59 HZ2 TRP 59 6.652 -0.040 -0.572 428 HZ3 TRP 59 HZ3 TRP 59 3.117 2.294 -1.077 429 HH2 TRP 59 HH2 TRP 59 5.386 1.702 -1.756 430 H LYS 60 H LYS 60 2.479 -3.672 4.127 431 HA LYS 60 HA LYS 60 4.043 -4.987 2.240 432 1HB LYS 60 2HB LYS 60 4.734 -5.234 4.454 433 2HB LYS 60 1HB LYS 60 3.125 -5.662 5.014 434 1HG LYS 60 2HG LYS 60 4.428 -7.524 3.119 435 2HG LYS 60 1HG LYS 60 5.087 -7.437 4.753 436 1HD LYS 60 2HD LYS 60 2.891 -7.923 5.686 437 2HD LYS 60 1HD LYS 60 2.191 -7.945 4.066 438 1HE LYS 60 2HE LYS 60 3.605 -9.849 3.481 439 2HE LYS 60 1HE LYS 60 4.317 -9.817 5.093 440 1HZ LYS 60 1HZ LYS 60 2.141 -10.296 6.026 441 2HZ LYS 60 2HZ LYS 60 2.590 -11.496 4.921 442 3HZ LYS 60 3HZ LYS 60 1.455 -10.322 4.480 443 H THR 61 H THR 61 0.848 -5.791 3.501 444 HA THR 61 HA THR 61 0.629 -8.270 2.112 445 HB THR 61 HB THR 61 -1.540 -6.520 3.290 446 HG1 THR 61 HG1 THR 61 -0.238 -8.835 4.333 447 1HG2 THR 61 1HG2 THR 61 -2.481 -8.046 1.655 448 2HG2 THR 61 2HG2 THR 61 -2.895 -8.588 3.282 449 3HG2 THR 61 3HG2 THR 61 -1.614 -9.400 2.381 450 H LEU 62 H LEU 62 -0.127 -4.944 1.323 451 HA LEU 62 HA LEU 62 -1.833 -5.487 -0.867 452 1HB LEU 62 2HB LEU 62 -2.127 -3.298 -0.683 453 2HB LEU 62 1HB LEU 62 -0.815 -3.216 0.473 454 HG LEU 62 HG LEU 62 0.686 -3.104 -1.682 455 1HD1 LEU 62 1HD1 LEU 62 -1.928 -1.997 -2.701 456 2HD1 LEU 62 2HD1 LEU 62 -1.206 -3.520 -3.221 457 3HD1 LEU 62 3HD1 LEU 62 -0.377 -1.999 -3.542 458 1HD2 LEU 62 1HD2 LEU 62 0.168 -1.369 0.151 459 2HD2 LEU 62 2HD2 LEU 62 -0.917 -0.658 -1.043 460 3HD2 LEU 62 3HD2 LEU 62 0.805 -0.806 -1.391 461 H VAL 63 H VAL 63 1.642 -5.334 -0.511 462 HA VAL 63 HA VAL 63 2.055 -5.433 -3.391 463 HB VAL 63 HB VAL 63 4.471 -5.465 -2.852 464 1HG1 VAL 63 1HG1 VAL 63 2.897 -3.279 -1.496 465 2HG1 VAL 63 2HG1 VAL 63 4.588 -3.177 -1.985 466 3HG1 VAL 63 3HG1 VAL 63 3.326 -3.349 -3.205 467 1HG2 VAL 63 1HG2 VAL 63 3.535 -5.251 0.009 468 2HG2 VAL 63 2HG2 VAL 63 4.367 -6.630 -0.712 469 3HG2 VAL 63 3HG2 VAL 63 5.202 -5.085 -0.547 470 H HIS 64 H HIS 64 2.476 -7.529 -0.561 471 HA HIS 64 HA HIS 64 3.644 -9.693 -1.920 472 1HB HIS 64 2HB HIS 64 3.765 -10.485 0.170 473 2HB HIS 64 1HB HIS 64 2.803 -9.120 0.717 474 HD1 HIS 64 HD1 HIS 64 2.660 -12.767 0.117 475 HD2 HIS 64 HD2 HIS 64 0.030 -9.695 1.072 476 HE1 HIS 64 HE1 HIS 64 0.555 -13.901 0.898 477 HE2 HIS 64 HE2 HIS 64 -1.051 -12.023 1.384 478 H THR 65 H THR 65 0.324 -8.679 -1.500 479 HA THR 65 HA THR 65 -0.809 -11.099 -2.568 480 HB THR 65 HB THR 65 -1.966 -9.512 -0.942 481 HG1 THR 65 HG1 THR 65 -3.873 -10.256 -1.680 482 1HG2 THR 65 1HG2 THR 65 -1.481 -7.430 -2.176 483 2HG2 THR 65 2HG2 THR 65 -3.207 -7.652 -1.894 484 3HG2 THR 65 3HG2 THR 65 -2.525 -7.982 -3.487 485 H ALA 66 H ALA 66 0.546 -8.261 -3.894 486 HA ALA 66 HA ALA 66 -0.909 -7.824 -6.203 487 1HB ALA 66 1HB ALA 66 2.087 -7.647 -5.911 488 2HB ALA 66 2HB ALA 66 1.110 -6.858 -7.148 489 3HB ALA 66 3HB ALA 66 0.934 -6.391 -5.457 490 H LYS 67 H LYS 67 2.218 -9.513 -6.344 491 HA LYS 67 HA LYS 67 1.098 -11.784 -7.695 492 1HB LYS 67 2HB LYS 67 2.312 -11.446 -9.821 493 2HB LYS 67 1HB LYS 67 1.072 -10.230 -9.553 494 1HG LYS 67 2HG LYS 67 2.786 -8.648 -8.812 495 2HG LYS 67 1HG LYS 67 4.026 -9.868 -9.102 496 1HD LYS 67 2HD LYS 67 2.153 -8.810 -11.216 497 2HD LYS 67 1HD LYS 67 3.789 -8.204 -10.942 498 1HE LYS 67 2HE LYS 67 3.039 -11.027 -11.700 499 2HE LYS 67 1HE LYS 67 3.739 -9.818 -12.774 500 1HZ LYS 67 1HZ LYS 67 5.415 -11.349 -11.955 501 2HZ LYS 67 2HZ LYS 67 5.045 -10.943 -10.354 502 3HZ LYS 67 3HZ LYS 67 5.717 -9.782 -11.385 503 H ILE 68 H ILE 68 3.006 -10.873 -5.491 504 HA ILE 68 HA ILE 68 5.606 -11.740 -6.104 505 HB ILE 68 HB ILE 68 4.176 -11.782 -3.440 506 1HG1 ILE 68 2HG1 ILE 68 4.273 -9.549 -4.449 507 2HG1 ILE 68 1HG1 ILE 68 5.326 -9.648 -3.041 508 1HG2 ILE 68 1HG2 ILE 68 6.437 -11.773 -2.459 509 2HG2 ILE 68 2HG2 ILE 68 7.117 -11.978 -4.074 510 3HG2 ILE 68 3HG2 ILE 68 6.103 -13.241 -3.377 511 1HD1 ILE 68 1HD1 ILE 68 6.371 -8.412 -4.853 512 2HD1 ILE 68 2HD1 ILE 68 6.209 -9.811 -5.913 513 3HD1 ILE 68 3HD1 ILE 68 7.261 -9.892 -4.500 514 H SER 69 H SER 69 2.691 -13.463 -5.355 515 HA SER 69 HA SER 69 2.200 -15.672 -5.045 516 1HB SER 69 2HB SER 69 4.424 -15.929 -7.084 517 2HB SER 69 1HB SER 69 3.232 -17.174 -6.713 518 HG SER 69 HG SER 69 2.924 -14.753 -8.078 519 HA PRO 70 HA PRO 70 5.821 -16.485 -2.214 520 1HB PRO 70 2HB PRO 70 3.908 -16.395 -0.032 521 2HB PRO 70 1HB PRO 70 5.334 -15.389 -0.295 522 1HG PRO 70 2HG PRO 70 2.788 -14.442 -0.461 523 2HG PRO 70 1HG PRO 70 4.142 -13.759 -1.380 524 1HD PRO 70 2HD PRO 70 2.006 -15.657 -2.278 525 2HD PRO 70 1HD PRO 70 2.711 -14.267 -3.132 526 H GLN 71 H GLN 71 2.551 -17.742 -2.382 527 HA GLN 71 HA GLN 71 3.442 -20.301 -1.251 528 1HB GLN 71 2HB GLN 71 1.243 -18.881 -0.631 529 2HB GLN 71 1HB GLN 71 0.590 -19.855 -1.940 530 1HG GLN 71 2HG GLN 71 1.935 -20.922 0.531 531 2HG GLN 71 1HG GLN 71 0.197 -20.859 0.251 532 1HE2 GLN 71 1HE2 GLN 71 3.173 -22.445 -0.520 533 2HE2 GLN 71 2HE2 GLN 71 2.485 -23.781 -1.371 534 H GLN 72 H GLN 72 2.314 -18.774 -4.160 535 HA GLN 72 HA GLN 72 1.833 -21.277 -5.533 536 1HB GLN 72 2HB GLN 72 1.845 -18.432 -6.552 537 2HB GLN 72 1HB GLN 72 1.357 -19.838 -7.488 538 1HG GLN 72 2HG GLN 72 -0.462 -20.254 -5.908 539 2HG GLN 72 1HG GLN 72 0.022 -18.834 -4.985 540 1HE2 GLN 72 1HE2 GLN 72 -1.951 -17.820 -5.288 541 2HE2 GLN 72 2HE2 GLN 72 -2.425 -17.151 -6.807 542 H ARG 73 H ARG 73 4.572 -20.387 -4.494 543 HA ARG 73 HA ARG 73 6.003 -20.993 -6.985 544 1HB ARG 73 2HB ARG 73 6.226 -18.585 -6.565 545 2HB ARG 73 1HB ARG 73 6.854 -18.919 -4.957 546 1HG ARG 73 2HG ARG 73 8.810 -19.973 -5.893 547 2HG ARG 73 1HG ARG 73 8.166 -19.784 -7.524 548 1HD ARG 73 2HD ARG 73 8.869 -17.540 -5.634 549 2HD ARG 73 1HD ARG 73 9.845 -18.075 -7.001 550 HE ARG 73 HE ARG 73 7.152 -17.305 -7.685 551 1HH1 ARG 73 1HH1 ARG 73 10.439 -16.233 -7.252 552 2HH1 ARG 73 2HH1 ARG 73 10.256 -14.845 -8.271 553 1HH2 ARG 73 1HH2 ARG 73 6.904 -15.480 -9.029 554 2HH2 ARG 73 2HH2 ARG 73 8.246 -14.417 -9.282 555 H ARG 74 H ARG 74 6.517 -23.061 -6.517 556 HA ARG 74 HA ARG 74 7.591 -24.834 -5.593 557 1HB ARG 74 2HB ARG 74 9.248 -22.670 -4.289 558 2HB ARG 74 1HB ARG 74 9.665 -24.376 -4.313 559 1HG ARG 74 2HG ARG 74 9.329 -22.655 -6.762 560 2HG ARG 74 1HG ARG 74 10.873 -23.050 -6.004 561 1HD ARG 74 2HD ARG 74 10.455 -25.429 -6.401 562 2HD ARG 74 1HD ARG 74 8.914 -25.032 -7.160 563 HE ARG 74 HE ARG 74 10.932 -23.621 -8.483 564 1HH1 ARG 74 1HH1 ARG 74 9.880 -26.910 -8.007 565 2HH1 ARG 74 2HH1 ARG 74 10.495 -27.463 -9.528 566 1HH2 ARG 74 1HH2 ARG 74 11.744 -24.342 -10.489 567 2HH2 ARG 74 2HH2 ARG 74 11.555 -26.003 -10.939 568 H GLY 75 H GLY 75 5.537 -23.030 -3.964 569 1HA GLY 75 1HA GLY 75 4.457 -23.177 -1.943 570 2HA GLY 75 2HA GLY 75 4.948 -24.863 -1.975 571 H GLU 76 H GLU 76 6.442 -21.676 -1.379 572 HA GLU 76 HA GLU 76 8.369 -22.759 0.429 573 1HB GLU 76 2HB GLU 76 7.531 -19.893 -0.045 574 2HB GLU 76 1HB GLU 76 8.942 -20.397 0.874 575 1HG GLU 76 2HG GLU 76 8.472 -20.918 -2.053 576 2HG GLU 76 1HG GLU 76 9.533 -19.680 -1.378 577 HA PRO 77 HA PRO 77 6.038 -22.701 4.182 578 1HB PRO 77 2HB PRO 77 7.986 -22.252 6.016 579 2HB PRO 77 1HB PRO 77 7.803 -23.790 5.171 580 1HG PRO 77 2HG PRO 77 9.697 -21.543 4.624 581 2HG PRO 77 1HG PRO 77 9.996 -23.291 4.600 582 1HD PRO 77 2HD PRO 77 9.595 -21.822 2.347 583 2HD PRO 77 1HD PRO 77 9.141 -23.533 2.480 584 H VAL 78 H VAL 78 8.478 -20.492 5.341 585 HA VAL 78 HA VAL 78 6.411 -18.501 5.848 586 HB VAL 78 HB VAL 78 8.244 -17.354 7.165 587 1HG1 VAL 78 1HG1 VAL 78 8.083 -18.920 9.045 588 2HG1 VAL 78 2HG1 VAL 78 6.530 -18.707 8.235 589 3HG1 VAL 78 3HG1 VAL 78 7.483 -20.165 7.950 590 1HG2 VAL 78 1HG2 VAL 78 10.175 -18.761 7.798 591 2HG2 VAL 78 2HG2 VAL 78 9.677 -19.948 6.592 592 3HG2 VAL 78 3HG2 VAL 78 10.179 -18.333 6.089 593 HA PRO 79 HA PRO 79 7.986 -16.276 2.259 594 1HB PRO 79 2HB PRO 79 6.042 -14.429 2.119 595 2HB PRO 79 1HB PRO 79 5.774 -16.104 1.624 596 1HG PRO 79 2HG PRO 79 5.024 -14.743 4.182 597 2HG PRO 79 1HG PRO 79 4.075 -15.869 3.194 598 1HD PRO 79 2HD PRO 79 5.440 -16.608 5.447 599 2HD PRO 79 1HD PRO 79 5.095 -17.711 4.102 600 H GLN 80 H GLN 80 9.829 -15.269 2.913 601 HA GLN 80 HA GLN 80 9.652 -12.992 4.741 602 1HB GLN 80 2HB GLN 80 12.047 -13.126 4.911 603 2HB GLN 80 1HB GLN 80 11.384 -14.740 5.103 604 1HG GLN 80 2HG GLN 80 12.496 -13.703 2.512 605 2HG GLN 80 1HG GLN 80 13.452 -14.577 3.706 606 1HE2 GLN 80 1HE2 GLN 80 12.773 -15.265 0.943 607 2HE2 GLN 80 2HE2 GLN 80 11.995 -16.806 1.017 608 H GLU 81 H GLU 81 10.493 -13.833 1.470 609 HA GLU 81 HA GLU 81 11.755 -11.683 0.440 610 1HB GLU 81 2HB GLU 81 9.495 -13.267 -0.768 611 2HB GLU 81 1HB GLU 81 10.434 -12.094 -1.677 612 1HG GLU 81 2HG GLU 81 11.526 -14.548 -0.318 613 2HG GLU 81 1HG GLU 81 11.225 -14.368 -2.045 614 H LEU 82 H LEU 82 8.318 -11.790 1.265 615 HA LEU 82 HA LEU 82 7.646 -9.338 0.038 616 1HB LEU 82 2HB LEU 82 5.969 -9.854 2.268 617 2HB LEU 82 1HB LEU 82 5.585 -9.977 0.571 618 HG LEU 82 HG LEU 82 6.855 -12.201 2.171 619 1HD1 LEU 82 1HD1 LEU 82 4.650 -11.634 3.075 620 2HD1 LEU 82 2HD1 LEU 82 4.657 -13.209 2.284 621 3HD1 LEU 82 3HD1 LEU 82 3.954 -11.816 1.465 622 1HD2 LEU 82 1HD2 LEU 82 7.217 -12.332 -0.242 623 2HD2 LEU 82 2HD2 LEU 82 5.483 -12.165 -0.517 624 3HD2 LEU 82 3HD2 LEU 82 6.112 -13.594 0.302 625 H LEU 83 H LEU 83 8.043 -10.142 3.497 626 HA LEU 83 HA LEU 83 7.937 -7.507 4.432 627 1HB LEU 83 2HB LEU 83 9.170 -10.009 5.557 628 2HB LEU 83 1HB LEU 83 9.250 -8.482 6.412 629 HG LEU 83 HG LEU 83 6.654 -9.768 5.575 630 1HD1 LEU 83 1HD1 LEU 83 7.830 -11.248 7.113 631 2HD1 LEU 83 2HD1 LEU 83 6.440 -10.499 7.897 632 3HD1 LEU 83 3HD1 LEU 83 8.067 -9.910 8.235 633 1HD2 LEU 83 1HD2 LEU 83 6.559 -7.356 5.968 634 2HD2 LEU 83 2HD2 LEU 83 7.290 -7.581 7.557 635 3HD2 LEU 83 3HD2 LEU 83 5.690 -8.241 7.221 636 H ASN 84 H ASN 84 10.479 -9.271 2.908 637 HA ASN 84 HA ASN 84 12.659 -7.697 3.844 638 1HB ASN 84 2HB ASN 84 12.985 -9.960 2.955 639 2HB ASN 84 1HB ASN 84 12.427 -9.429 1.373 640 1HD2 ASN 84 1HD2 ASN 84 13.750 -8.124 0.114 641 2HD2 ASN 84 2HD2 ASN 84 15.438 -7.942 0.439 642 H ARG 85 H ARG 85 10.815 -7.731 0.797 643 HA ARG 85 HA ARG 85 12.187 -5.474 -0.282 644 1HB ARG 85 2HB ARG 85 10.503 -5.518 -2.043 645 2HB ARG 85 1HB ARG 85 11.103 -7.138 -1.722 646 1HG ARG 85 2HG ARG 85 9.114 -7.711 -0.527 647 2HG ARG 85 1HG ARG 85 8.533 -6.046 -0.600 648 1HD ARG 85 2HD ARG 85 8.919 -7.938 -2.914 649 2HD ARG 85 1HD ARG 85 7.386 -7.363 -2.262 650 HE ARG 85 HE ARG 85 9.292 -5.433 -3.373 651 1HH1 ARG 85 1HH1 ARG 85 6.217 -7.067 -3.523 652 2HH1 ARG 85 2HH1 ARG 85 5.564 -5.997 -4.719 653 1HH2 ARG 85 1HH2 ARG 85 8.440 -4.023 -4.944 654 2HH2 ARG 85 2HH2 ARG 85 6.827 -4.266 -5.525 655 H VAL 86 H VAL 86 9.615 -5.854 1.938 656 HA VAL 86 HA VAL 86 8.360 -3.319 1.486 657 HB VAL 86 HB VAL 86 8.179 -5.299 3.753 658 1HG1 VAL 86 1HG1 VAL 86 6.224 -3.933 4.515 659 2HG1 VAL 86 2HG1 VAL 86 7.794 -3.168 4.760 660 3HG1 VAL 86 3HG1 VAL 86 6.765 -2.659 3.421 661 1HG2 VAL 86 1HG2 VAL 86 6.063 -5.858 2.852 662 2HG2 VAL 86 2HG2 VAL 86 6.074 -4.463 1.772 663 3HG2 VAL 86 3HG2 VAL 86 7.179 -5.807 1.489 664 H LEU 87 H LEU 87 10.248 -4.546 4.267 665 HA LEU 87 HA LEU 87 10.623 -2.030 5.450 666 1HB LEU 87 2HB LEU 87 11.623 -4.737 5.837 667 2HB LEU 87 1HB LEU 87 12.835 -3.523 6.204 668 HG LEU 87 HG LEU 87 11.283 -2.460 7.795 669 1HD1 LEU 87 1HD1 LEU 87 9.228 -3.622 8.448 670 2HD1 LEU 87 2HD1 LEU 87 9.479 -4.786 7.147 671 3HD1 LEU 87 3HD1 LEU 87 9.174 -3.093 6.767 672 1HD2 LEU 87 1HD2 LEU 87 12.876 -4.123 8.585 673 2HD2 LEU 87 2HD2 LEU 87 11.712 -5.407 8.259 674 3HD2 LEU 87 3HD2 LEU 87 11.372 -4.206 9.504 675 H ASN 88 H ASN 88 12.238 -3.595 2.823 676 HA ASN 88 HA ASN 88 14.625 -2.033 2.878 677 1HB ASN 88 2HB ASN 88 14.320 -4.262 1.707 678 2HB ASN 88 1HB ASN 88 13.414 -3.397 0.470 679 1HD2 ASN 88 1HD2 ASN 88 15.912 -4.885 0.270 680 2HD2 ASN 88 2HD2 ASN 88 17.079 -3.775 -0.357 681 H ALA 89 H ALA 89 11.642 -1.904 0.965 682 HA ALA 89 HA ALA 89 12.260 0.356 -0.560 683 1HB ALA 89 1HB ALA 89 9.541 -0.568 0.368 684 2HB ALA 89 2HB ALA 89 9.863 0.536 -0.970 685 3HB ALA 89 3HB ALA 89 10.390 -1.144 -1.066 686 H HIS 90 H HIS 90 10.649 0.074 2.589 687 HA HIS 90 HA HIS 90 10.028 2.792 2.910 688 1HB HIS 90 2HB HIS 90 8.970 1.228 4.362 689 2HB HIS 90 1HB HIS 90 10.512 0.579 4.906 690 HD1 HIS 90 HD1 HIS 90 8.573 3.845 5.105 691 HD2 HIS 90 HD2 HIS 90 11.379 1.648 7.240 692 HE1 HIS 90 HE1 HIS 90 8.910 5.099 7.259 693 HE2 HIS 90 HE2 HIS 90 10.546 3.702 8.571 694 H GLY 91 H GLY 91 12.744 0.912 4.255 695 1HA GLY 91 1HA GLY 91 14.141 3.046 5.389 696 2HA GLY 91 2HA GLY 91 14.871 1.537 4.853 697 H TYR 92 H TYR 92 13.922 1.982 2.088 698 HA TYR 92 HA TYR 92 16.209 3.312 1.075 699 1HB TYR 92 2HB TYR 92 15.304 1.635 -0.306 700 2HB TYR 92 1HB TYR 92 13.670 2.270 -0.161 701 HD1 TYR 92 HD1 TYR 92 12.853 3.889 -1.663 702 HD2 TYR 92 HD2 TYR 92 16.973 2.851 -1.728 703 HE1 TYR 92 HE1 TYR 92 13.114 5.107 -3.778 704 HE2 TYR 92 HE2 TYR 92 17.253 4.071 -3.848 705 HH TYR 92 HH TYR 92 14.906 6.195 -5.069 706 H TRP 93 H TRP 93 12.765 4.288 1.168 707 HA TRP 93 HA TRP 93 13.091 6.789 -0.030 708 1HB TRP 93 2HB TRP 93 11.159 6.213 2.223 709 2HB TRP 93 1HB TRP 93 10.999 7.436 0.970 710 HD1 TRP 93 HD1 TRP 93 11.597 5.537 -1.556 711 HE1 TRP 93 HE1 TRP 93 9.802 3.830 -2.262 712 HE3 TRP 93 HE3 TRP 93 8.999 5.237 2.832 713 HZ2 TRP 93 HZ2 TRP 93 7.576 2.531 -1.101 714 HZ3 TRP 93 HZ3 TRP 93 7.048 3.745 2.951 715 HH2 TRP 93 HH2 TRP 93 6.350 2.422 1.024 716 H THR 94 H THR 94 12.962 6.017 3.440 717 HA THR 94 HA THR 94 13.580 8.542 4.421 718 HB THR 94 HB THR 94 14.341 7.422 6.480 719 HG1 THR 94 HG1 THR 94 13.837 4.919 5.281 720 1HG2 THR 94 1HG2 THR 94 11.893 6.150 5.248 721 2HG2 THR 94 2HG2 THR 94 11.942 7.694 6.098 722 3HG2 THR 94 3HG2 THR 94 12.271 6.196 6.970 723 H GLN 95 H GLN 95 15.738 5.928 3.420 724 HA GLN 95 HA GLN 95 18.105 7.440 4.099 725 1HB GLN 95 2HB GLN 95 17.674 4.778 2.750 726 2HB GLN 95 1HB GLN 95 19.269 5.498 2.933 727 1HG GLN 95 2HG GLN 95 17.397 4.778 5.178 728 2HG GLN 95 1HG GLN 95 18.811 3.854 4.671 729 1HE2 GLN 95 1HE2 GLN 95 18.193 5.085 7.246 730 2HE2 GLN 95 2HE2 GLN 95 19.499 6.163 7.585 731 H GLN 96 H GLN 96 15.938 7.419 1.565 732 HA GLN 96 HA GLN 96 17.800 7.931 -0.556 733 1HB GLN 96 2HB GLN 96 15.620 6.931 -1.057 734 2HB GLN 96 1HB GLN 96 14.807 8.360 -0.433 735 1HG GLN 96 2HG GLN 96 15.990 9.676 -2.220 736 2HG GLN 96 1HG GLN 96 16.499 8.134 -2.904 737 1HE2 GLN 96 1HE2 GLN 96 14.807 10.199 -4.054 738 2HE2 GLN 96 2HE2 GLN 96 13.300 9.439 -4.424 739 H GLN 97 H GLN 97 15.996 9.746 1.782 740 HA GLN 97 HA GLN 97 16.045 11.925 2.427 741 1HB GLN 97 2HB GLN 97 18.408 12.144 0.551 742 2HB GLN 97 1HB GLN 97 17.945 13.332 1.760 743 1HG GLN 97 2HG GLN 97 18.363 11.708 3.530 744 2HG GLN 97 1HG GLN 97 18.814 10.505 2.321 745 1HE2 GLN 97 1HE2 GLN 97 20.877 10.272 3.153 746 2HE2 GLN 97 2HE2 GLN 97 22.095 11.483 2.968 747 H MET 98 H MET 98 14.518 10.989 0.124 748 HA MET 98 HA MET 98 13.170 11.785 -1.523 749 1HB MET 98 2HB MET 98 12.571 13.341 0.349 750 2HB MET 98 1HB MET 98 13.734 14.490 -0.299 751 1HG MET 98 2HG MET 98 12.460 14.607 -2.379 752 2HG MET 98 1HG MET 98 11.296 13.454 -1.729 753 1HE MET 98 1HE MET 98 9.290 16.825 -1.754 754 2HE MET 98 2HE MET 98 9.318 15.145 -2.289 755 3HE MET 98 3HE MET 98 10.485 16.297 -2.938 756 H GLN 99 H GLN 99 15.259 11.165 -2.754 757 HA GLN 99 HA GLN 99 16.735 11.546 -4.445 758 1HB GLN 99 2HB GLN 99 14.597 12.112 -5.558 759 2HB GLN 99 1HB GLN 99 14.815 13.791 -5.088 760 1HG GLN 99 2HG GLN 99 16.846 13.912 -6.432 761 2HG GLN 99 1HG GLN 99 16.639 12.225 -6.897 762 1HE2 GLN 99 1HE2 GLN 99 14.997 11.667 -8.329 763 2HE2 GLN 99 2HE2 GLN 99 14.194 12.841 -9.308 764 H GLN 100 H GLN 100 18.357 12.196 -2.879 765 HA GLN 100 HA GLN 100 19.142 15.001 -3.271 766 1HB GLN 100 2HB GLN 100 18.199 14.740 -1.007 767 2HB GLN 100 1HB GLN 100 19.367 13.468 -0.675 768 1HG GLN 100 2HG GLN 100 21.190 15.060 -0.920 769 2HG GLN 100 1HG GLN 100 20.036 16.338 -1.294 770 1HE2 GLN 100 1HE2 GLN 100 18.097 15.357 0.664 771 2HE2 GLN 100 2HE2 GLN 100 18.713 15.812 2.212 772 H LEU 101 H LEU 101 20.094 11.683 -2.636 773 HA LEU 101 HA LEU 101 22.878 12.366 -3.295 774 1HB LEU 101 2HB LEU 101 22.542 11.214 -1.156 775 2HB LEU 101 1HB LEU 101 21.748 9.890 -1.987 776 HG LEU 101 HG LEU 101 23.876 9.424 -3.192 777 1HD1 LEU 101 1HD1 LEU 101 25.000 11.490 -1.307 778 2HD1 LEU 101 2HD1 LEU 101 24.870 11.642 -3.058 779 3HD1 LEU 101 3HD1 LEU 101 25.942 10.431 -2.356 780 1HD2 LEU 101 1HD2 LEU 101 23.272 8.172 -1.193 781 2HD2 LEU 101 2HD2 LEU 101 24.041 9.395 -0.182 782 3HD2 LEU 101 3HD2 LEU 101 25.017 8.418 -1.277 783 H GLN 102 H GLN 102 20.163 10.328 -4.190 784 HA GLN 102 HA GLN 102 21.510 9.751 -6.731 785 1HB GLN 102 2HB GLN 102 21.755 7.770 -5.284 786 2HB GLN 102 1HB GLN 102 20.009 7.710 -5.081 787 1HG GLN 102 2HG GLN 102 19.742 7.307 -7.475 788 2HG GLN 102 1HG GLN 102 21.493 7.368 -7.678 789 1HE2 GLN 102 1HE2 GLN 102 19.611 5.208 -8.238 790 2HE2 GLN 102 2HE2 GLN 102 20.151 3.851 -7.316 791 H GLN 103 H GLN 103 20.178 9.659 -8.516 792 HA GLN 103 HA GLN 103 17.296 9.989 -8.091 793 1HB GLN 103 2HB GLN 103 17.228 11.800 -9.766 794 2HB GLN 103 1HB GLN 103 18.162 12.243 -8.343 795 1HG GLN 103 2HG GLN 103 20.230 11.776 -9.555 796 2HG GLN 103 1HG GLN 103 19.293 11.335 -10.981 797 1HE2 GLN 103 1HE2 GLN 103 21.288 13.437 -10.621 798 2HE2 GLN 103 2HE2 GLN 103 20.503 14.917 -11.039 799 H ASN 104 H ASN 104 19.743 8.365 -9.566 800 HA ASN 104 HA ASN 104 18.323 7.853 -12.061 801 1HB ASN 104 2HB ASN 104 20.999 6.858 -11.056 802 2HB ASN 104 1HB ASN 104 20.317 6.483 -12.636 803 1HD2 ASN 104 1HD2 ASN 104 22.009 7.447 -13.727 804 2HD2 ASN 104 2HD2 ASN 104 22.216 9.162 -13.791 805 H VAL 105 H VAL 105 16.500 6.835 -11.019 806 HA VAL 105 HA VAL 105 16.905 4.350 -9.620 807 HB VAL 105 HB VAL 105 15.042 5.647 -8.897 808 1HG1 VAL 105 1HG1 VAL 105 13.996 5.538 -11.723 809 2HG1 VAL 105 2HG1 VAL 105 13.177 6.262 -10.341 810 3HG1 VAL 105 3HG1 VAL 105 14.689 6.952 -10.930 811 1HG2 VAL 105 1HG2 VAL 105 13.188 4.079 -9.140 812 2HG2 VAL 105 2HG2 VAL 105 14.011 3.305 -10.494 813 3HG2 VAL 105 3HG2 VAL 105 14.710 3.225 -8.876 Start of MODEL 5 1 H GLN 9 H GLN 9 -20.871 0.061 8.028 2 HA GLN 9 HA GLN 9 -19.445 1.117 10.364 3 1HB GLN 9 2HB GLN 9 -20.255 -1.771 9.988 4 2HB GLN 9 1HB GLN 9 -19.177 -1.183 11.246 5 1HG GLN 9 2HG GLN 9 -22.007 -0.229 10.927 6 2HG GLN 9 1HG GLN 9 -21.552 -1.600 11.937 7 1HE2 GLN 9 1HE2 GLN 9 -22.258 -0.597 13.808 8 2HE2 GLN 9 2HE2 GLN 9 -21.405 0.718 14.535 9 H ARG 10 H ARG 10 -19.445 -0.891 7.485 10 HA ARG 10 HA ARG 10 -16.592 -0.375 7.171 11 1HB ARG 10 2HB ARG 10 -16.084 -2.705 6.649 12 2HB ARG 10 1HB ARG 10 -16.704 -2.559 8.286 13 1HG ARG 10 2HG ARG 10 -18.497 -3.288 5.998 14 2HG ARG 10 1HG ARG 10 -17.533 -4.500 6.844 15 1HD ARG 10 2HD ARG 10 -18.583 -3.815 8.966 16 2HD ARG 10 1HD ARG 10 -19.582 -2.664 8.081 17 HE ARG 10 HE ARG 10 -20.036 -5.092 6.885 18 1HH1 ARG 10 1HH1 ARG 10 -20.360 -3.780 10.097 19 2HH1 ARG 10 2HH1 ARG 10 -21.686 -4.810 10.521 20 1HH2 ARG 10 1HH2 ARG 10 -21.783 -6.449 7.436 21 2HH2 ARG 10 2HH2 ARG 10 -22.494 -6.326 9.009 22 H ARG 11 H ARG 11 -19.091 0.522 5.887 23 HA ARG 11 HA ARG 11 -19.571 -0.671 3.425 24 1HB ARG 11 2HB ARG 11 -20.980 1.101 4.356 25 2HB ARG 11 1HB ARG 11 -19.683 2.266 4.133 26 1HG ARG 11 2HG ARG 11 -19.814 1.959 1.716 27 2HG ARG 11 1HG ARG 11 -21.109 0.781 1.937 28 1HD ARG 11 2HD ARG 11 -22.000 2.974 1.337 29 2HD ARG 11 1HD ARG 11 -22.509 2.497 2.956 30 HE ARG 11 HE ARG 11 -20.160 4.040 3.126 31 1HH1 ARG 11 1HH1 ARG 11 -23.551 4.356 2.387 32 2HH1 ARG 11 2HH1 ARG 11 -23.640 6.008 2.902 33 1HH2 ARG 11 1HH2 ARG 11 -20.268 6.213 3.804 34 2HH2 ARG 11 2HH2 ARG 11 -21.775 7.063 3.706 35 H ILE 12 H ILE 12 -18.481 -0.817 1.573 36 HA ILE 12 HA ILE 12 -15.804 0.194 1.401 37 HB ILE 12 HB ILE 12 -17.442 -1.168 -0.741 38 1HG1 ILE 12 2HG1 ILE 12 -17.289 -2.561 1.270 39 2HG1 ILE 12 1HG1 ILE 12 -16.319 -3.238 -0.032 40 1HG2 ILE 12 1HG2 ILE 12 -14.464 -0.787 -0.451 41 2HG2 ILE 12 2HG2 ILE 12 -15.512 -0.011 -1.639 42 3HG2 ILE 12 3HG2 ILE 12 -15.254 -1.754 -1.698 43 1HD1 ILE 12 1HD1 ILE 12 -15.169 -3.397 2.095 44 2HD1 ILE 12 2HD1 ILE 12 -15.282 -1.650 2.304 45 3HD1 ILE 12 3HD1 ILE 12 -14.303 -2.320 0.999 46 H ARG 13 H ARG 13 -14.983 1.732 0.004 47 HA ARG 13 HA ARG 13 -16.740 3.882 -0.667 48 1HB ARG 13 2HB ARG 13 -14.126 3.769 -0.031 49 2HB ARG 13 1HB ARG 13 -13.988 3.820 -1.781 50 1HG ARG 13 2HG ARG 13 -13.862 6.048 -1.153 51 2HG ARG 13 1HG ARG 13 -15.545 5.857 -1.645 52 1HD ARG 13 2HD ARG 13 -14.576 5.684 1.204 53 2HD ARG 13 1HD ARG 13 -15.236 7.143 0.468 54 HE ARG 13 HE ARG 13 -17.164 5.276 0.049 55 1HH1 ARG 13 1HH1 ARG 13 -15.463 6.411 2.870 56 2HH1 ARG 13 2HH1 ARG 13 -16.784 6.108 3.948 57 1HH2 ARG 13 1HH2 ARG 13 -18.909 4.873 1.460 58 2HH2 ARG 13 2HH2 ARG 13 -18.743 5.233 3.146 59 H ARG 14 H ARG 14 -15.542 4.773 -3.087 60 HA ARG 14 HA ARG 14 -16.117 2.700 -5.046 61 1HB ARG 14 2HB ARG 14 -18.297 3.732 -4.639 62 2HB ARG 14 1HB ARG 14 -17.628 5.318 -4.993 63 1HG ARG 14 2HG ARG 14 -17.149 4.584 -7.290 64 2HG ARG 14 1HG ARG 14 -17.885 3.021 -6.924 65 1HD ARG 14 2HD ARG 14 -19.466 4.461 -8.079 66 2HD ARG 14 1HD ARG 14 -20.006 4.143 -6.431 67 HE ARG 14 HE ARG 14 -18.604 6.493 -6.281 68 1HH1 ARG 14 1HH1 ARG 14 -21.361 5.347 -8.081 69 2HH1 ARG 14 2HH1 ARG 14 -22.105 6.906 -8.181 70 1HH2 ARG 14 1HH2 ARG 14 -19.578 8.550 -6.412 71 2HH2 ARG 14 2HH2 ARG 14 -21.092 8.727 -7.233 72 HA PRO 15 HA PRO 15 -14.141 6.707 -7.208 73 1HB PRO 15 2HB PRO 15 -12.865 7.747 -4.720 74 2HB PRO 15 1HB PRO 15 -13.473 8.629 -6.126 75 1HG PRO 15 2HG PRO 15 -14.860 8.589 -3.861 76 2HG PRO 15 1HG PRO 15 -15.683 8.480 -5.428 77 1HD PRO 15 2HD PRO 15 -15.129 6.342 -3.422 78 2HD PRO 15 1HD PRO 15 -16.536 6.560 -4.483 79 H PHE 16 H PHE 16 -12.324 5.839 -4.254 80 HA PHE 16 HA PHE 16 -10.399 4.404 -5.948 81 1HB PHE 16 2HB PHE 16 -9.773 6.475 -3.846 82 2HB PHE 16 1HB PHE 16 -8.580 5.324 -4.433 83 HD1 PHE 16 HD1 PHE 16 -10.617 8.241 -5.288 84 HD2 PHE 16 HD2 PHE 16 -7.638 5.516 -6.632 85 HE1 PHE 16 HE1 PHE 16 -10.100 9.742 -7.170 86 HE2 PHE 16 HE2 PHE 16 -7.116 7.011 -8.516 87 HZ PHE 16 HZ PHE 16 -8.346 9.127 -8.786 88 H SER 17 H SER 17 -9.359 2.663 -5.002 89 HA SER 17 HA SER 17 -10.029 1.962 -2.249 90 1HB SER 17 2HB SER 17 -10.740 -0.311 -2.908 91 2HB SER 17 1HB SER 17 -11.806 0.923 -3.578 92 HG SER 17 HG SER 17 -10.706 -0.942 -4.926 93 H VAL 18 H VAL 18 -8.880 -0.229 -1.719 94 HA VAL 18 HA VAL 18 -6.148 0.147 -1.847 95 HB VAL 18 HB VAL 18 -7.203 -1.350 -0.225 96 1HG1 VAL 18 1HG1 VAL 18 -8.873 -2.370 -1.671 97 2HG1 VAL 18 2HG1 VAL 18 -7.609 -3.210 -2.568 98 3HG1 VAL 18 3HG1 VAL 18 -7.902 -3.608 -0.876 99 1HG2 VAL 18 1HG2 VAL 18 -4.821 -1.603 -0.638 100 2HG2 VAL 18 2HG2 VAL 18 -5.552 -3.170 -0.290 101 3HG2 VAL 18 3HG2 VAL 18 -5.147 -2.732 -1.952 102 H ALA 19 H ALA 19 -8.261 -1.411 -4.142 103 HA ALA 19 HA ALA 19 -6.404 -2.894 -5.612 104 1HB ALA 19 1HB ALA 19 -8.827 -3.100 -5.903 105 2HB ALA 19 2HB ALA 19 -8.873 -1.494 -6.631 106 3HB ALA 19 3HB ALA 19 -8.012 -2.803 -7.440 107 H GLU 20 H GLU 20 -7.544 0.440 -6.133 108 HA GLU 20 HA GLU 20 -5.791 0.956 -8.304 109 1HB GLU 20 2HB GLU 20 -7.858 2.244 -7.907 110 2HB GLU 20 1HB GLU 20 -7.155 2.910 -6.440 111 1HG GLU 20 2HG GLU 20 -7.028 4.503 -8.257 112 2HG GLU 20 1HG GLU 20 -5.415 3.996 -7.760 113 H VAL 21 H VAL 21 -5.573 1.383 -4.829 114 HA VAL 21 HA VAL 21 -3.329 3.013 -4.661 115 HB VAL 21 HB VAL 21 -4.112 0.753 -2.808 116 1HG1 VAL 21 1HG1 VAL 21 -2.275 3.103 -2.352 117 2HG1 VAL 21 2HG1 VAL 21 -2.808 1.967 -1.112 118 3HG1 VAL 21 3HG1 VAL 21 -1.802 1.406 -2.449 119 1HG2 VAL 21 1HG2 VAL 21 -5.870 2.441 -3.124 120 2HG2 VAL 21 2HG2 VAL 21 -5.213 2.469 -1.488 121 3HG2 VAL 21 3HG2 VAL 21 -4.731 3.701 -2.654 122 H GLU 22 H GLU 22 -3.609 -0.404 -5.364 123 HA GLU 22 HA GLU 22 -1.041 -1.303 -4.911 124 1HB GLU 22 2HB GLU 22 -3.061 -2.619 -5.739 125 2HB GLU 22 1HB GLU 22 -2.642 -2.062 -7.352 126 1HG GLU 22 2HG GLU 22 -0.748 -3.587 -5.587 127 2HG GLU 22 1HG GLU 22 -1.833 -4.355 -6.742 128 H ALA 23 H ALA 23 -2.281 0.073 -7.963 129 HA ALA 23 HA ALA 23 0.202 0.153 -9.280 130 1HB ALA 23 1HB ALA 23 -1.855 0.349 -10.525 131 2HB ALA 23 2HB ALA 23 -2.266 1.842 -9.681 132 3HB ALA 23 3HB ALA 23 -0.890 1.803 -10.780 133 H LEU 24 H LEU 24 -1.503 2.524 -7.293 134 HA LEU 24 HA LEU 24 0.263 4.674 -7.631 135 1HB LEU 24 2HB LEU 24 -1.977 4.853 -6.606 136 2HB LEU 24 1HB LEU 24 -1.396 3.976 -5.205 137 HG LEU 24 HG LEU 24 0.200 5.816 -4.745 138 1HD1 LEU 24 1HD1 LEU 24 -1.237 7.197 -7.007 139 2HD1 LEU 24 2HD1 LEU 24 0.447 6.673 -7.008 140 3HD1 LEU 24 3HD1 LEU 24 -0.080 7.950 -5.910 141 1HD2 LEU 24 1HD2 LEU 24 -1.471 7.417 -3.952 142 2HD2 LEU 24 2HD2 LEU 24 -1.965 5.755 -3.631 143 3HD2 LEU 24 3HD2 LEU 24 -2.691 6.648 -4.968 144 H VAL 25 H VAL 25 0.483 1.768 -5.786 145 HA VAL 25 HA VAL 25 2.564 2.654 -4.024 146 HB VAL 25 HB VAL 25 1.355 -0.024 -4.644 147 1HG1 VAL 25 1HG1 VAL 25 2.868 -0.910 -2.803 148 2HG1 VAL 25 2HG1 VAL 25 3.610 -0.644 -4.382 149 3HG1 VAL 25 3HG1 VAL 25 3.861 0.520 -3.083 150 1HG2 VAL 25 1HG2 VAL 25 1.542 1.691 -2.175 151 2HG2 VAL 25 2HG2 VAL 25 0.104 1.361 -3.138 152 3HG2 VAL 25 3HG2 VAL 25 0.855 0.068 -2.205 153 H GLN 26 H GLN 26 2.381 0.845 -7.050 154 HA GLN 26 HA GLN 26 5.124 0.171 -7.196 155 1HB GLN 26 2HB GLN 26 3.365 -0.948 -8.527 156 2HB GLN 26 1HB GLN 26 3.134 0.532 -9.447 157 1HG GLN 26 2HG GLN 26 5.427 0.379 -10.274 158 2HG GLN 26 1HG GLN 26 5.657 -1.105 -9.351 159 1HE2 GLN 26 1HE2 GLN 26 2.941 -2.040 -9.894 160 2HE2 GLN 26 2HE2 GLN 26 2.943 -2.581 -11.535 161 H ALA 27 H ALA 27 3.386 3.070 -7.760 162 HA ALA 27 HA ALA 27 5.456 4.277 -9.395 163 1HB ALA 27 1HB ALA 27 3.101 4.775 -9.844 164 2HB ALA 27 2HB ALA 27 2.954 5.499 -8.242 165 3HB ALA 27 3HB ALA 27 4.015 6.230 -9.446 166 H VAL 28 H VAL 28 4.274 4.477 -6.069 167 HA VAL 28 HA VAL 28 6.074 6.655 -5.426 168 HB VAL 28 HB VAL 28 5.166 6.520 -3.164 169 1HG1 VAL 28 1HG1 VAL 28 2.825 7.065 -3.703 170 2HG1 VAL 28 2HG1 VAL 28 3.969 7.845 -4.797 171 3HG1 VAL 28 3HG1 VAL 28 3.068 6.425 -5.329 172 1HG2 VAL 28 1HG2 VAL 28 4.885 4.130 -2.951 173 2HG2 VAL 28 2HG2 VAL 28 3.340 4.930 -2.666 174 3HG2 VAL 28 3HG2 VAL 28 3.648 4.131 -4.208 175 H GLU 29 H GLU 29 6.227 3.227 -5.371 176 HA GLU 29 HA GLU 29 7.868 2.763 -3.166 177 1HB GLU 29 2HB GLU 29 8.698 0.770 -4.502 178 2HB GLU 29 1HB GLU 29 6.964 0.869 -4.228 179 1HG GLU 29 2HG GLU 29 6.527 1.453 -6.432 180 2HG GLU 29 1HG GLU 29 8.194 1.926 -6.743 181 H LYS 30 H LYS 30 8.589 4.617 -5.883 182 HA LYS 30 HA LYS 30 11.477 4.181 -5.548 183 1HB LYS 30 2HB LYS 30 11.704 5.364 -7.726 184 2HB LYS 30 1HB LYS 30 10.786 3.867 -7.823 185 1HG LYS 30 2HG LYS 30 8.724 5.052 -7.964 186 2HG LYS 30 1HG LYS 30 9.521 6.587 -7.610 187 1HD LYS 30 2HD LYS 30 9.082 6.474 -9.971 188 2HD LYS 30 1HD LYS 30 10.821 6.327 -9.716 189 1HE LYS 30 2HE LYS 30 10.650 3.897 -9.955 190 2HE LYS 30 1HE LYS 30 8.910 4.042 -10.203 191 1HZ LYS 30 1HZ LYS 30 9.340 5.335 -12.199 192 2HZ LYS 30 2HZ LYS 30 10.086 3.819 -12.298 193 3HZ LYS 30 3HZ LYS 30 11.009 5.196 -11.961 194 H LEU 31 H LEU 31 9.063 6.784 -5.856 195 HA LEU 31 HA LEU 31 11.013 8.608 -4.610 196 1HB LEU 31 2HB LEU 31 9.482 10.409 -5.611 197 2HB LEU 31 1HB LEU 31 10.558 9.539 -6.684 198 HG LEU 31 HG LEU 31 8.563 8.034 -7.218 199 1HD1 LEU 31 1HD1 LEU 31 6.355 9.064 -6.888 200 2HD1 LEU 31 2HD1 LEU 31 7.104 10.320 -5.902 201 3HD1 LEU 31 3HD1 LEU 31 7.134 8.641 -5.362 202 1HD2 LEU 31 1HD2 LEU 31 7.686 9.621 -8.860 203 2HD2 LEU 31 2HD2 LEU 31 9.445 9.689 -8.771 204 3HD2 LEU 31 3HD2 LEU 31 8.475 10.945 -8.001 205 H GLY 32 H GLY 32 9.294 6.786 -3.158 206 1HA GLY 32 1HA GLY 32 7.176 8.431 -2.039 207 2HA GLY 32 2HA GLY 32 7.556 6.775 -1.594 208 H THR 33 H THR 33 7.077 7.904 0.548 209 HA THR 33 HA THR 33 9.643 8.582 1.768 210 HB THR 33 HB THR 33 8.398 10.343 3.149 211 HG1 THR 33 HG1 THR 33 6.454 10.938 2.507 212 1HG2 THR 33 1HG2 THR 33 10.113 10.918 1.506 213 2HG2 THR 33 2HG2 THR 33 8.804 12.099 1.483 214 3HG2 THR 33 3HG2 THR 33 8.907 10.872 0.221 215 H GLY 34 H GLY 34 6.213 7.846 2.226 216 1HA GLY 34 1HA GLY 34 6.717 5.770 4.077 217 2HA GLY 34 2HA GLY 34 6.255 7.225 4.945 218 H ARG 35 H ARG 35 4.988 6.654 1.777 219 HA ARG 35 HA ARG 35 2.848 6.529 1.032 220 1HB ARG 35 2HB ARG 35 1.764 4.468 1.476 221 2HB ARG 35 1HB ARG 35 3.489 4.145 1.542 222 1HG ARG 35 2HG ARG 35 3.470 3.937 3.880 223 2HG ARG 35 1HG ARG 35 1.875 4.681 4.015 224 1HD ARG 35 2HD ARG 35 2.530 1.985 2.836 225 2HD ARG 35 1HD ARG 35 1.670 2.303 4.341 226 HE ARG 35 HE ARG 35 0.492 3.365 1.900 227 1HH1 ARG 35 1HH1 ARG 35 0.508 0.876 4.338 228 2HH1 ARG 35 2HH1 ARG 35 -1.097 0.333 3.976 229 1HH2 ARG 35 1HH2 ARG 35 -1.618 2.657 1.417 230 2HH2 ARG 35 2HH2 ARG 35 -2.305 1.345 2.315 231 H TRP 36 H TRP 36 3.274 8.317 3.342 232 HA TRP 36 HA TRP 36 1.215 8.180 5.210 233 1HB TRP 36 2HB TRP 36 2.361 10.710 4.010 234 2HB TRP 36 1HB TRP 36 1.578 10.549 5.578 235 HD1 TRP 36 HD1 TRP 36 4.897 10.012 3.823 236 HE1 TRP 36 HE1 TRP 36 6.691 9.424 5.573 237 HE3 TRP 36 HE3 TRP 36 1.876 9.376 7.900 238 HZ2 TRP 36 HZ2 TRP 36 6.808 8.776 8.319 239 HZ3 TRP 36 HZ3 TRP 36 2.908 8.773 10.050 240 HH2 TRP 36 HH2 TRP 36 5.323 8.480 10.253 241 H ARG 37 H ARG 37 1.282 9.710 2.012 242 HA ARG 37 HA ARG 37 -1.396 10.684 2.158 243 1HB ARG 37 2HB ARG 37 -1.091 11.071 -0.291 244 2HB ARG 37 1HB ARG 37 0.167 11.784 0.709 245 1HG ARG 37 2HG ARG 37 1.476 9.617 0.221 246 2HG ARG 37 1HG ARG 37 0.319 9.406 -1.095 247 1HD ARG 37 2HD ARG 37 0.917 11.711 -1.861 248 2HD ARG 37 1HD ARG 37 2.206 11.710 -0.662 249 HE ARG 37 HE ARG 37 2.578 9.427 -2.145 250 1HH1 ARG 37 1HH1 ARG 37 2.439 12.849 -2.790 251 2HH1 ARG 37 2HH1 ARG 37 3.524 12.768 -4.138 252 1HH2 ARG 37 1HH2 ARG 37 4.007 9.314 -3.918 253 2HH2 ARG 37 2HH2 ARG 37 4.414 10.759 -4.780 254 H ASP 38 H ASP 38 0.110 7.740 0.999 255 HA ASP 38 HA ASP 38 -2.089 6.750 -0.478 256 1HB ASP 38 2HB ASP 38 0.143 5.236 0.899 257 2HB ASP 38 1HB ASP 38 -0.953 4.565 -0.305 258 H VAL 39 H VAL 39 -0.922 5.892 2.775 259 HA VAL 39 HA VAL 39 -3.049 4.232 3.477 260 HB VAL 39 HB VAL 39 -0.910 4.379 4.723 261 1HG1 VAL 39 1HG1 VAL 39 -2.066 6.945 5.806 262 2HG1 VAL 39 2HG1 VAL 39 -0.612 6.143 6.398 263 3HG1 VAL 39 3HG1 VAL 39 -0.653 6.797 4.761 264 1HG2 VAL 39 1HG2 VAL 39 -3.391 4.809 6.379 265 2HG2 VAL 39 2HG2 VAL 39 -2.825 3.273 5.726 266 3HG2 VAL 39 3HG2 VAL 39 -1.881 4.108 6.960 267 H LYS 40 H LYS 40 -2.726 7.717 3.569 268 HA LYS 40 HA LYS 40 -4.922 8.275 5.248 269 1HB LYS 40 2HB LYS 40 -3.301 9.822 3.285 270 2HB LYS 40 1HB LYS 40 -4.841 10.500 3.792 271 1HG LYS 40 2HG LYS 40 -2.725 9.609 5.733 272 2HG LYS 40 1HG LYS 40 -2.821 11.250 5.089 273 1HD LYS 40 2HD LYS 40 -5.075 9.870 6.544 274 2HD LYS 40 1HD LYS 40 -3.912 10.947 7.320 275 1HE LYS 40 2HE LYS 40 -4.604 12.762 5.829 276 2HE LYS 40 1HE LYS 40 -5.767 11.684 5.058 277 1HZ LYS 40 1HZ LYS 40 -5.802 12.464 7.924 278 2HZ LYS 40 2HZ LYS 40 -6.942 11.490 7.144 279 3HZ LYS 40 3HZ LYS 40 -6.798 13.121 6.723 280 H LEU 41 H LEU 41 -4.660 8.035 1.710 281 HA LEU 41 HA LEU 41 -7.602 8.083 1.578 282 1HB LEU 41 2HB LEU 41 -5.518 8.926 -0.424 283 2HB LEU 41 1HB LEU 41 -7.182 8.634 -0.885 284 HG LEU 41 HG LEU 41 -6.868 10.993 -0.602 285 1HD1 LEU 41 1HD1 LEU 41 -8.536 11.501 1.097 286 2HD1 LEU 41 2HD1 LEU 41 -8.360 9.880 1.767 287 3HD1 LEU 41 3HD1 LEU 41 -9.009 10.096 0.142 288 1HD2 LEU 41 1HD2 LEU 41 -6.102 12.007 1.448 289 2HD2 LEU 41 2HD2 LEU 41 -4.888 10.870 0.862 290 3HD2 LEU 41 3HD2 LEU 41 -5.938 10.425 2.206 291 H CYS 42 H CYS 42 -5.784 5.764 2.097 292 HA CYS 42 HA CYS 42 -5.519 4.122 -0.137 293 1HB CYS 42 2HB CYS 42 -4.493 3.600 2.027 294 2HB CYS 42 1HB CYS 42 -6.083 3.321 2.727 295 HG CYS 42 HG CYS 42 -5.522 0.787 2.450 296 H ALA 43 H ALA 43 -8.211 4.478 2.117 297 HA ALA 43 HA ALA 43 -10.221 4.016 0.216 298 1HB ALA 43 1HB ALA 43 -9.589 1.612 1.923 299 2HB ALA 43 2HB ALA 43 -10.996 1.786 0.872 300 3HB ALA 43 3HB ALA 43 -9.377 1.730 0.175 301 H PHE 44 H PHE 44 -9.451 5.547 2.691 302 HA PHE 44 HA PHE 44 -10.520 6.599 4.391 303 1HB PHE 44 2HB PHE 44 -12.491 6.515 2.778 304 2HB PHE 44 1HB PHE 44 -13.008 5.057 3.616 305 HD1 PHE 44 HD1 PHE 44 -12.116 8.613 4.271 306 HD2 PHE 44 HD2 PHE 44 -14.435 5.234 5.421 307 HE1 PHE 44 HE1 PHE 44 -13.295 9.990 5.933 308 HE2 PHE 44 HE2 PHE 44 -15.619 6.607 7.083 309 HZ PHE 44 HZ PHE 44 -15.059 8.990 7.334 310 H GLU 45 H GLU 45 -9.466 3.739 4.255 311 HA GLU 45 HA GLU 45 -10.777 2.473 6.480 312 1HB GLU 45 2HB GLU 45 -8.358 1.666 4.863 313 2HB GLU 45 1HB GLU 45 -9.062 0.689 6.145 314 1HG GLU 45 2HG GLU 45 -10.464 1.529 3.618 315 2HG GLU 45 1HG GLU 45 -9.752 -0.055 3.923 316 H ASP 46 H ASP 46 -7.526 3.741 5.782 317 HA ASP 46 HA ASP 46 -7.107 3.973 8.693 318 1HB ASP 46 2HB ASP 46 -5.066 3.523 6.505 319 2HB ASP 46 1HB ASP 46 -4.666 3.840 8.192 320 H ALA 47 H ALA 47 -8.387 5.881 6.892 321 HA ALA 47 HA ALA 47 -6.647 8.002 6.238 322 1HB ALA 47 1HB ALA 47 -8.661 9.350 6.018 323 2HB ALA 47 2HB ALA 47 -8.890 7.761 5.286 324 3HB ALA 47 3HB ALA 47 -9.595 8.115 6.864 325 H ASP 48 H ASP 48 -7.302 6.820 9.241 326 HA ASP 48 HA ASP 48 -6.939 9.460 10.501 327 1HB ASP 48 2HB ASP 48 -8.028 8.530 12.508 328 2HB ASP 48 1HB ASP 48 -9.093 8.484 11.107 329 H HIS 49 H HIS 49 -5.244 6.898 9.600 330 HA HIS 49 HA HIS 49 -3.247 5.991 10.176 331 1HB HIS 49 2HB HIS 49 -3.159 8.260 12.172 332 2HB HIS 49 1HB HIS 49 -1.796 7.235 11.737 333 HD1 HIS 49 HD1 HIS 49 -0.571 7.761 9.574 334 HD2 HIS 49 HD2 HIS 49 -3.953 10.103 10.157 335 HE1 HIS 49 HE1 HIS 49 -0.444 9.571 7.833 336 HE2 HIS 49 HE2 HIS 49 -2.455 11.026 8.262 337 H ARG 50 H ARG 50 -3.137 4.088 11.138 338 HA ARG 50 HA ARG 50 -4.388 3.754 13.770 339 1HB ARG 50 2HB ARG 50 -5.184 2.277 11.976 340 2HB ARG 50 1HB ARG 50 -3.549 1.676 11.742 341 1HG ARG 50 2HG ARG 50 -4.846 0.089 13.014 342 2HG ARG 50 1HG ARG 50 -3.566 0.768 14.020 343 1HD ARG 50 2HD ARG 50 -5.690 0.607 15.234 344 2HD ARG 50 1HD ARG 50 -5.158 2.280 15.061 345 HE ARG 50 HE ARG 50 -6.956 1.456 12.987 346 1HH1 ARG 50 1HH1 ARG 50 -6.749 2.659 16.252 347 2HH1 ARG 50 2HH1 ARG 50 -8.326 3.372 16.226 348 1HH2 ARG 50 1HH2 ARG 50 -9.033 2.394 12.946 349 2HH2 ARG 50 2HH2 ARG 50 -9.626 3.221 14.347 350 H THR 51 H THR 51 -1.615 2.229 12.111 351 HA THR 51 HA THR 51 0.174 2.945 14.268 352 HB THR 51 HB THR 51 -0.324 0.009 13.745 353 HG1 THR 51 HG1 THR 51 -1.222 1.660 15.889 354 1HG2 THR 51 1HG2 THR 51 1.314 1.487 15.804 355 2HG2 THR 51 2HG2 THR 51 1.909 0.428 14.525 356 3HG2 THR 51 3HG2 THR 51 0.976 -0.243 15.861 357 H TYR 52 H TYR 52 2.415 2.335 13.790 358 HA TYR 52 HA TYR 52 3.043 2.699 11.074 359 1HB TYR 52 2HB TYR 52 5.344 2.537 11.690 360 2HB TYR 52 1HB TYR 52 4.503 3.397 12.968 361 HD1 TYR 52 HD1 TYR 52 3.476 1.392 14.740 362 HD2 TYR 52 HD2 TYR 52 7.103 1.347 12.519 363 HE1 TYR 52 HE1 TYR 52 4.466 -0.114 16.404 364 HE2 TYR 52 HE2 TYR 52 8.103 -0.170 14.176 365 HH TYR 52 HH TYR 52 7.788 -0.780 16.537 366 H VAL 53 H VAL 53 3.216 -0.234 13.101 367 HA VAL 53 HA VAL 53 4.130 -1.860 10.931 368 HB VAL 53 HB VAL 53 2.973 -2.609 13.620 369 1HG1 VAL 53 1HG1 VAL 53 2.456 -4.385 12.042 370 2HG1 VAL 53 2HG1 VAL 53 4.130 -4.406 11.486 371 3HG1 VAL 53 3HG1 VAL 53 3.741 -4.901 13.133 372 1HG2 VAL 53 1HG2 VAL 53 5.779 -2.912 12.570 373 2HG2 VAL 53 2HG2 VAL 53 5.230 -1.521 13.502 374 3HG2 VAL 53 3HG2 VAL 53 5.217 -3.126 14.228 375 H ASP 54 H ASP 54 0.987 -1.154 12.385 376 HA ASP 54 HA ASP 54 -0.507 -3.073 10.957 377 1HB ASP 54 2HB ASP 54 -1.266 -0.412 12.170 378 2HB ASP 54 1HB ASP 54 -2.443 -1.459 11.382 379 H LEU 55 H LEU 55 0.363 0.270 10.247 380 HA LEU 55 HA LEU 55 -1.042 0.544 7.836 381 1HB LEU 55 2HB LEU 55 -0.245 2.542 8.722 382 2HB LEU 55 1HB LEU 55 1.342 1.884 9.055 383 HG LEU 55 HG LEU 55 0.527 2.177 6.200 384 1HD1 LEU 55 1HD1 LEU 55 -0.155 4.291 7.304 385 2HD1 LEU 55 2HD1 LEU 55 1.156 4.497 6.142 386 3HD1 LEU 55 3HD1 LEU 55 1.501 4.487 7.872 387 1HD2 LEU 55 1HD2 LEU 55 3.110 2.571 7.711 388 2HD2 LEU 55 2HD2 LEU 55 2.913 2.729 5.967 389 3HD2 LEU 55 3HD2 LEU 55 2.669 1.165 6.742 390 H LYS 56 H LYS 56 2.141 -0.730 8.612 391 HA LYS 56 HA LYS 56 2.818 -1.229 5.863 392 1HB LYS 56 2HB LYS 56 4.122 -1.723 8.499 393 2HB LYS 56 1HB LYS 56 4.666 -2.649 7.104 394 1HG LYS 56 2HG LYS 56 4.418 0.314 6.930 395 2HG LYS 56 1HG LYS 56 5.835 -0.418 7.689 396 1HD LYS 56 2HD LYS 56 6.348 -1.620 5.667 397 2HD LYS 56 1HD LYS 56 4.847 -1.073 4.918 398 1HE LYS 56 2HE LYS 56 5.663 1.260 5.097 399 2HE LYS 56 1HE LYS 56 7.193 0.642 5.722 400 1HZ LYS 56 1HZ LYS 56 7.505 -0.565 3.648 401 2HZ LYS 56 2HZ LYS 56 7.333 1.092 3.358 402 3HZ LYS 56 3HZ LYS 56 6.043 0.042 3.049 403 H ASP 57 H ASP 57 0.957 -2.775 8.216 404 HA ASP 57 HA ASP 57 1.364 -5.470 7.416 405 1HB ASP 57 2HB ASP 57 0.289 -4.664 9.589 406 2HB ASP 57 1HB ASP 57 -1.157 -4.342 8.641 407 H LYS 58 H LYS 58 -0.922 -2.926 6.606 408 HA LYS 58 HA LYS 58 -2.323 -4.515 4.666 409 1HB LYS 58 2HB LYS 58 -3.465 -2.723 5.901 410 2HB LYS 58 1HB LYS 58 -2.395 -1.534 5.170 411 1HG LYS 58 2HG LYS 58 -3.310 -1.960 2.994 412 2HG LYS 58 1HG LYS 58 -4.270 -3.305 3.616 413 1HD LYS 58 2HD LYS 58 -4.569 -0.449 4.541 414 2HD LYS 58 1HD LYS 58 -5.547 -1.179 3.267 415 1HE LYS 58 2HE LYS 58 -6.275 -2.911 4.885 416 2HE LYS 58 1HE LYS 58 -5.382 -2.060 6.146 417 1HZ LYS 58 1HZ LYS 58 -7.659 -0.968 4.582 418 2HZ LYS 58 2HZ LYS 58 -6.786 -0.117 5.752 419 3HZ LYS 58 3HZ LYS 58 -7.707 -1.462 6.200 420 H TRP 59 H TRP 59 0.397 -2.326 4.668 421 HA TRP 59 HA TRP 59 0.410 -1.856 1.844 422 1HB TRP 59 2HB TRP 59 1.525 -0.187 2.999 423 2HB TRP 59 1HB TRP 59 2.242 -1.312 4.144 424 HD1 TRP 59 HD1 TRP 59 4.460 -2.624 3.324 425 HE1 TRP 59 HE1 TRP 59 6.279 -1.938 1.627 426 HE3 TRP 59 HE3 TRP 59 1.904 1.029 0.832 427 HZ2 TRP 59 HZ2 TRP 59 6.577 -0.099 -0.489 428 HZ3 TRP 59 HZ3 TRP 59 3.026 2.206 -1.013 429 HH2 TRP 59 HH2 TRP 59 5.314 1.652 -1.658 430 H LYS 60 H LYS 60 2.405 -3.829 4.019 431 HA LYS 60 HA LYS 60 3.899 -5.156 2.075 432 1HB LYS 60 2HB LYS 60 4.702 -5.378 4.255 433 2HB LYS 60 1HB LYS 60 3.124 -5.806 4.899 434 1HG LYS 60 2HG LYS 60 4.333 -7.683 2.958 435 2HG LYS 60 1HG LYS 60 5.073 -7.580 4.556 436 1HD LYS 60 2HD LYS 60 3.051 -8.190 5.633 437 2HD LYS 60 1HD LYS 60 2.116 -7.973 4.152 438 1HE LYS 60 2HE LYS 60 3.268 -9.862 3.136 439 2HE LYS 60 1HE LYS 60 4.242 -10.062 4.590 440 1HZ LYS 60 1HZ LYS 60 1.286 -10.313 4.483 441 2HZ LYS 60 2HZ LYS 60 2.264 -10.592 5.833 442 3HZ LYS 60 3HZ LYS 60 2.367 -11.614 4.489 443 H THR 61 H THR 61 0.741 -5.915 3.453 444 HA THR 61 HA THR 61 0.477 -8.439 2.142 445 HB THR 61 HB THR 61 -1.601 -6.628 3.391 446 HG1 THR 61 HG1 THR 61 -0.757 -9.123 4.400 447 1HG2 THR 61 1HG2 THR 61 -3.078 -8.613 3.352 448 2HG2 THR 61 2HG2 THR 61 -1.877 -9.460 2.376 449 3HG2 THR 61 3HG2 THR 61 -2.685 -8.029 1.735 450 H LEU 62 H LEU 62 -0.231 -5.137 1.339 451 HA LEU 62 HA LEU 62 -1.989 -5.590 -0.817 452 1HB LEU 62 2HB LEU 62 -2.036 -3.423 -0.035 453 2HB LEU 62 1HB LEU 62 -0.295 -3.326 0.124 454 HG LEU 62 HG LEU 62 -1.406 -3.506 -2.629 455 1HD1 LEU 62 1HD1 LEU 62 -1.789 -1.084 -2.675 456 2HD1 LEU 62 2HD1 LEU 62 -1.513 -1.013 -0.934 457 3HD1 LEU 62 3HD1 LEU 62 -2.898 -1.900 -1.571 458 1HD2 LEU 62 1HD2 LEU 62 0.973 -3.445 -2.357 459 2HD2 LEU 62 2HD2 LEU 62 0.865 -2.043 -1.292 460 3HD2 LEU 62 3HD2 LEU 62 0.457 -1.886 -3.001 461 H VAL 63 H VAL 63 1.522 -5.493 -0.572 462 HA VAL 63 HA VAL 63 1.832 -5.762 -3.453 463 HB VAL 63 HB VAL 63 4.277 -5.864 -2.950 464 1HG1 VAL 63 1HG1 VAL 63 4.499 -3.519 -2.377 465 2HG1 VAL 63 2HG1 VAL 63 3.146 -3.750 -3.482 466 3HG1 VAL 63 3HG1 VAL 63 2.846 -3.491 -1.763 467 1HG2 VAL 63 1HG2 VAL 63 5.033 -5.273 -0.692 468 2HG2 VAL 63 2HG2 VAL 63 3.368 -5.355 -0.120 469 3HG2 VAL 63 3HG2 VAL 63 4.168 -6.810 -0.714 470 H HIS 64 H HIS 64 2.182 -7.703 -0.538 471 HA HIS 64 HA HIS 64 3.399 -9.956 -1.696 472 1HB HIS 64 2HB HIS 64 3.416 -9.710 0.686 473 2HB HIS 64 1HB HIS 64 1.659 -9.630 0.752 474 HD1 HIS 64 HD1 HIS 64 4.499 -12.033 0.523 475 HD2 HIS 64 HD2 HIS 64 0.346 -12.110 0.604 476 HE1 HIS 64 HE1 HIS 64 3.880 -14.436 0.928 477 HE2 HIS 64 HE2 HIS 64 1.361 -14.473 0.885 478 H THR 65 H THR 65 0.046 -8.969 -1.408 479 HA THR 65 HA THR 65 -0.954 -11.480 -2.448 480 HB THR 65 HB THR 65 -2.482 -8.917 -1.960 481 HG1 THR 65 HG1 THR 65 -2.501 -9.444 0.094 482 1HG2 THR 65 1HG2 THR 65 -4.425 -10.425 -1.804 483 2HG2 THR 65 2HG2 THR 65 -3.387 -11.787 -2.225 484 3HG2 THR 65 3HG2 THR 65 -3.663 -10.494 -3.392 485 H ALA 66 H ALA 66 0.166 -8.516 -3.699 486 HA ALA 66 HA ALA 66 -1.364 -8.079 -5.951 487 1HB ALA 66 1HB ALA 66 0.584 -6.984 -6.917 488 2HB ALA 66 2HB ALA 66 0.420 -6.580 -5.208 489 3HB ALA 66 3HB ALA 66 1.626 -7.759 -5.723 490 H LYS 67 H LYS 67 1.868 -9.399 -6.496 491 HA LYS 67 HA LYS 67 0.781 -11.711 -7.887 492 1HB LYS 67 2HB LYS 67 2.374 -9.553 -9.275 493 2HB LYS 67 1HB LYS 67 2.145 -11.165 -9.938 494 1HG LYS 67 2HG LYS 67 -0.092 -9.262 -9.271 495 2HG LYS 67 1HG LYS 67 0.608 -9.471 -10.877 496 1HD LYS 67 2HD LYS 67 -0.049 -11.825 -10.862 497 2HD LYS 67 1HD LYS 67 -0.732 -11.629 -9.247 498 1HE LYS 67 2HE LYS 67 -2.475 -11.552 -10.950 499 2HE LYS 67 1HE LYS 67 -2.335 -10.005 -10.116 500 1HZ LYS 67 1HZ LYS 67 -1.049 -9.159 -11.980 501 2HZ LYS 67 2HZ LYS 67 -2.564 -9.705 -12.500 502 3HZ LYS 67 3HZ LYS 67 -1.186 -10.644 -12.780 503 H ILE 68 H ILE 68 2.635 -10.956 -5.586 504 HA ILE 68 HA ILE 68 5.274 -11.635 -6.190 505 HB ILE 68 HB ILE 68 3.725 -12.101 -3.637 506 1HG1 ILE 68 2HG1 ILE 68 3.883 -9.749 -4.329 507 2HG1 ILE 68 1HG1 ILE 68 4.827 -10.050 -2.875 508 1HG2 ILE 68 1HG2 ILE 68 6.697 -12.229 -4.129 509 2HG2 ILE 68 2HG2 ILE 68 5.646 -13.565 -3.662 510 3HG2 ILE 68 3HG2 ILE 68 5.933 -12.234 -2.540 511 1HD1 ILE 68 1HD1 ILE 68 6.866 -10.108 -4.213 512 2HD1 ILE 68 2HD1 ILE 68 6.003 -8.581 -4.405 513 3HD1 ILE 68 3HD1 ILE 68 5.917 -9.808 -5.670 514 H SER 69 H SER 69 2.446 -13.619 -5.783 515 HA SER 69 HA SER 69 2.086 -15.872 -5.843 516 1HB SER 69 2HB SER 69 4.372 -15.686 -7.819 517 2HB SER 69 1HB SER 69 3.252 -17.040 -7.682 518 HG SER 69 HG SER 69 1.717 -15.889 -8.607 519 HA PRO 70 HA PRO 70 5.548 -16.929 -2.933 520 1HB PRO 70 2HB PRO 70 3.392 -17.779 -1.154 521 2HB PRO 70 1HB PRO 70 4.664 -16.588 -0.874 522 1HG PRO 70 2HG PRO 70 2.064 -15.899 -1.175 523 2HG PRO 70 1HG PRO 70 3.400 -14.850 -1.688 524 1HD PRO 70 2HD PRO 70 1.665 -16.655 -3.334 525 2HD PRO 70 1HD PRO 70 2.243 -15.011 -3.691 526 H GLN 71 H GLN 71 2.906 -18.563 -4.372 527 HA GLN 71 HA GLN 71 3.635 -21.182 -3.366 528 1HB GLN 71 2HB GLN 71 1.813 -21.987 -4.839 529 2HB GLN 71 1HB GLN 71 1.288 -20.736 -3.719 530 1HG GLN 71 2HG GLN 71 1.425 -19.077 -5.507 531 2HG GLN 71 1HG GLN 71 1.949 -20.333 -6.629 532 1HE2 GLN 71 1HE2 GLN 71 -0.709 -19.040 -4.805 533 2HE2 GLN 71 2HE2 GLN 71 -1.957 -19.920 -5.612 534 H GLN 72 H GLN 72 3.897 -19.351 -6.377 535 HA GLN 72 HA GLN 72 4.861 -21.423 -8.006 536 1HB GLN 72 2HB GLN 72 5.401 -18.451 -8.156 537 2HB GLN 72 1HB GLN 72 5.763 -19.602 -9.434 538 1HG GLN 72 2HG GLN 72 3.024 -18.984 -8.349 539 2HG GLN 72 1HG GLN 72 3.696 -18.390 -9.867 540 1HE2 GLN 72 1HE2 GLN 72 1.318 -20.009 -9.372 541 2HE2 GLN 72 2HE2 GLN 72 1.525 -21.456 -10.293 542 H ARG 73 H ARG 73 6.588 -19.023 -6.046 543 HA ARG 73 HA ARG 73 8.720 -18.920 -5.271 544 1HB ARG 73 2HB ARG 73 8.604 -21.924 -5.587 545 2HB ARG 73 1HB ARG 73 9.796 -21.040 -4.645 546 1HG ARG 73 2HG ARG 73 7.992 -20.204 -3.192 547 2HG ARG 73 1HG ARG 73 6.835 -21.170 -4.112 548 1HD ARG 73 2HD ARG 73 9.186 -22.212 -2.535 549 2HD ARG 73 1HD ARG 73 7.488 -22.323 -2.073 550 HE ARG 73 HE ARG 73 7.567 -23.545 -4.492 551 1HH1 ARG 73 1HH1 ARG 73 9.365 -23.945 -1.532 552 2HH1 ARG 73 2HH1 ARG 73 9.636 -25.638 -1.776 553 1HH2 ARG 73 1HH2 ARG 73 7.921 -25.773 -4.820 554 2HH2 ARG 73 2HH2 ARG 73 8.816 -26.677 -3.644 555 H ARG 74 H ARG 74 9.693 -17.816 -6.939 556 HA ARG 74 HA ARG 74 10.855 -19.361 -9.134 557 1HB ARG 74 2HB ARG 74 11.344 -17.164 -10.141 558 2HB ARG 74 1HB ARG 74 9.637 -17.350 -9.761 559 1HG ARG 74 2HG ARG 74 9.977 -16.032 -7.707 560 2HG ARG 74 1HG ARG 74 11.663 -15.793 -8.171 561 1HD ARG 74 2HD ARG 74 9.241 -14.902 -9.731 562 2HD ARG 74 1HD ARG 74 10.310 -13.863 -8.788 563 HE ARG 74 HE ARG 74 11.952 -15.119 -10.579 564 1HH1 ARG 74 1HH1 ARG 74 9.100 -13.129 -10.805 565 2HH1 ARG 74 2HH1 ARG 74 9.536 -12.455 -12.339 566 1HH2 ARG 74 1HH2 ARG 74 12.534 -14.235 -12.599 567 2HH2 ARG 74 2HH2 ARG 74 11.486 -13.083 -13.359 568 H GLY 75 H GLY 75 11.753 -18.969 -6.160 569 1HA GLY 75 1HA GLY 75 14.389 -19.569 -6.350 570 2HA GLY 75 2HA GLY 75 14.382 -17.814 -6.445 571 H GLU 76 H GLU 76 15.658 -19.232 -4.400 572 HA GLU 76 HA GLU 76 15.941 -19.175 -2.150 573 1HB GLU 76 2HB GLU 76 13.638 -17.218 -2.240 574 2HB GLU 76 1HB GLU 76 14.664 -17.508 -0.841 575 1HG GLU 76 2HG GLU 76 16.576 -16.637 -1.970 576 2HG GLU 76 1HG GLU 76 15.697 -16.542 -3.494 577 HA PRO 77 HA PRO 77 13.219 -22.240 -0.531 578 1HB PRO 77 2HB PRO 77 13.859 -21.452 2.212 579 2HB PRO 77 1HB PRO 77 14.311 -22.911 1.336 580 1HG PRO 77 2HG PRO 77 16.106 -21.003 1.995 581 2HG PRO 77 1HG PRO 77 16.255 -21.989 0.528 582 1HD PRO 77 2HD PRO 77 15.241 -19.184 0.833 583 2HD PRO 77 1HD PRO 77 16.303 -19.870 -0.418 584 H VAL 78 H VAL 78 13.035 -19.895 2.113 585 HA VAL 78 HA VAL 78 10.139 -20.083 2.064 586 HB VAL 78 HB VAL 78 10.220 -18.777 4.155 587 1HG1 VAL 78 1HG1 VAL 78 11.334 -20.475 5.528 588 2HG1 VAL 78 2HG1 VAL 78 10.361 -21.205 4.251 589 3HG1 VAL 78 3HG1 VAL 78 12.115 -21.123 4.085 590 1HG2 VAL 78 1HG2 VAL 78 13.208 -18.823 3.730 591 2HG2 VAL 78 2HG2 VAL 78 12.168 -17.399 3.674 592 3HG2 VAL 78 3HG2 VAL 78 12.387 -18.271 5.191 593 HA PRO 79 HA PRO 79 9.487 -16.199 0.047 594 1HB PRO 79 2HB PRO 79 7.049 -15.524 0.948 595 2HB PRO 79 1HB PRO 79 7.295 -16.895 -0.141 596 1HG PRO 79 2HG PRO 79 6.918 -16.884 2.829 597 2HG PRO 79 1HG PRO 79 6.209 -17.966 1.616 598 1HD PRO 79 2HD PRO 79 8.371 -18.631 3.147 599 2HD PRO 79 1HD PRO 79 8.080 -19.290 1.527 600 H GLN 80 H GLN 80 11.236 -15.171 1.271 601 HA GLN 80 HA GLN 80 10.399 -13.524 3.542 602 1HB GLN 80 2HB GLN 80 12.782 -13.046 3.798 603 2HB GLN 80 1HB GLN 80 12.489 -14.774 3.740 604 1HG GLN 80 2HG GLN 80 13.216 -14.843 1.427 605 2HG GLN 80 1HG GLN 80 13.474 -13.099 1.449 606 1HE2 GLN 80 1HE2 GLN 80 15.343 -15.310 0.955 607 2HE2 GLN 80 2HE2 GLN 80 16.620 -15.108 2.101 608 H GLU 81 H GLU 81 11.308 -13.398 0.250 609 HA GLU 81 HA GLU 81 12.138 -10.908 -0.316 610 1HB GLU 81 2HB GLU 81 10.049 -12.488 -1.810 611 2HB GLU 81 1HB GLU 81 10.858 -11.071 -2.459 612 1HG GLU 81 2HG GLU 81 13.010 -12.210 -2.270 613 2HG GLU 81 1HG GLU 81 12.195 -13.633 -1.618 614 H LEU 82 H LEU 82 8.746 -11.730 0.411 615 HA LEU 82 HA LEU 82 7.623 -9.263 -0.268 616 1HB LEU 82 2HB LEU 82 5.929 -9.883 1.605 617 2HB LEU 82 1HB LEU 82 6.021 -10.847 0.145 618 HG LEU 82 HG LEU 82 7.744 -11.783 2.339 619 1HD1 LEU 82 1HD1 LEU 82 4.741 -11.933 2.565 620 2HD1 LEU 82 2HD1 LEU 82 5.819 -11.039 3.635 621 3HD1 LEU 82 3HD1 LEU 82 5.896 -12.800 3.576 622 1HD2 LEU 82 1HD2 LEU 82 7.563 -13.088 0.357 623 2HD2 LEU 82 2HD2 LEU 82 5.802 -13.026 0.406 624 3HD2 LEU 82 3HD2 LEU 82 6.686 -13.941 1.627 625 H LEU 83 H LEU 83 8.505 -10.327 3.036 626 HA LEU 83 HA LEU 83 8.171 -7.748 4.156 627 1HB LEU 83 2HB LEU 83 9.514 -10.259 5.102 628 2HB LEU 83 1HB LEU 83 9.610 -8.780 6.040 629 HG LEU 83 HG LEU 83 7.011 -10.090 5.239 630 1HD1 LEU 83 1HD1 LEU 83 6.892 -10.887 7.545 631 2HD1 LEU 83 2HD1 LEU 83 8.511 -10.256 7.848 632 3HD1 LEU 83 3HD1 LEU 83 8.278 -11.572 6.699 633 1HD2 LEU 83 1HD2 LEU 83 6.060 -8.635 6.960 634 2HD2 LEU 83 2HD2 LEU 83 6.849 -7.696 5.693 635 3HD2 LEU 83 3HD2 LEU 83 7.651 -7.929 7.247 636 H ASN 84 H ASN 84 10.780 -9.265 2.487 637 HA ASN 84 HA ASN 84 12.896 -7.661 3.490 638 1HB ASN 84 2HB ASN 84 13.316 -9.804 2.390 639 2HB ASN 84 1HB ASN 84 12.671 -9.173 0.879 640 1HD2 ASN 84 1HD2 ASN 84 15.327 -9.116 3.111 641 2HD2 ASN 84 2HD2 ASN 84 16.450 -8.315 2.071 642 H ARG 85 H ARG 85 10.920 -7.462 0.538 643 HA ARG 85 HA ARG 85 12.182 -5.070 -0.377 644 1HB ARG 85 2HB ARG 85 10.466 -5.042 -2.099 645 2HB ARG 85 1HB ARG 85 11.114 -6.667 -1.918 646 1HG ARG 85 2HG ARG 85 9.156 -7.293 -0.588 647 2HG ARG 85 1HG ARG 85 8.505 -5.666 -0.796 648 1HD ARG 85 2HD ARG 85 9.091 -7.642 -2.999 649 2HD ARG 85 1HD ARG 85 7.494 -7.233 -2.373 650 HE ARG 85 HE ARG 85 8.591 -4.846 -3.167 651 1HH1 ARG 85 1HH1 ARG 85 7.873 -7.899 -4.689 652 2HH1 ARG 85 2HH1 ARG 85 7.594 -7.202 -6.249 653 1HH2 ARG 85 1HH2 ARG 85 8.225 -3.921 -5.217 654 2HH2 ARG 85 2HH2 ARG 85 7.794 -4.940 -6.551 655 H VAL 86 H VAL 86 9.581 -5.763 1.788 656 HA VAL 86 HA VAL 86 8.270 -3.236 1.582 657 HB VAL 86 HB VAL 86 8.161 -5.410 3.667 658 1HG1 VAL 86 1HG1 VAL 86 7.742 -3.364 4.851 659 2HG1 VAL 86 2HG1 VAL 86 6.642 -2.808 3.589 660 3HG1 VAL 86 3HG1 VAL 86 6.204 -4.187 4.596 661 1HG2 VAL 86 1HG2 VAL 86 6.040 -5.925 2.739 662 2HG2 VAL 86 2HG2 VAL 86 6.027 -4.448 1.776 663 3HG2 VAL 86 3HG2 VAL 86 7.151 -5.746 1.382 664 H LEU 87 H LEU 87 10.312 -4.626 4.166 665 HA LEU 87 HA LEU 87 10.559 -2.210 5.596 666 1HB LEU 87 2HB LEU 87 12.414 -4.593 5.590 667 2HB LEU 87 1HB LEU 87 12.373 -3.329 6.804 668 HG LEU 87 HG LEU 87 10.120 -5.257 6.234 669 1HD1 LEU 87 1HD1 LEU 87 12.090 -5.162 8.514 670 2HD1 LEU 87 2HD1 LEU 87 12.036 -6.376 7.234 671 3HD1 LEU 87 3HD1 LEU 87 10.708 -6.250 8.389 672 1HD2 LEU 87 1HD2 LEU 87 10.455 -3.191 8.408 673 2HD2 LEU 87 2HD2 LEU 87 9.135 -4.356 8.286 674 3HD2 LEU 87 3HD2 LEU 87 9.323 -3.104 7.057 675 H ASN 88 H ASN 88 12.313 -3.560 2.906 676 HA ASN 88 HA ASN 88 14.588 -1.849 3.095 677 1HB ASN 88 2HB ASN 88 14.518 -4.035 1.853 678 2HB ASN 88 1HB ASN 88 13.536 -3.243 0.628 679 1HD2 ASN 88 1HD2 ASN 88 14.466 -1.699 -0.709 680 2HD2 ASN 88 2HD2 ASN 88 16.177 -1.536 -0.870 681 H ALA 89 H ALA 89 11.709 -1.852 1.016 682 HA ALA 89 HA ALA 89 12.234 0.467 -0.421 683 1HB ALA 89 1HB ALA 89 9.847 0.554 -0.889 684 2HB ALA 89 2HB ALA 89 10.443 -1.104 -0.987 685 3HB ALA 89 3HB ALA 89 9.535 -0.575 0.430 686 H HIS 90 H HIS 90 10.538 0.091 2.680 687 HA HIS 90 HA HIS 90 9.810 2.785 2.990 688 1HB HIS 90 2HB HIS 90 8.875 0.928 4.340 689 2HB HIS 90 1HB HIS 90 10.426 0.767 5.159 690 HD1 HIS 90 HD1 HIS 90 7.369 2.896 5.019 691 HD2 HIS 90 HD2 HIS 90 10.997 2.776 7.044 692 HE1 HIS 90 HE1 HIS 90 7.138 4.536 6.912 693 HE2 HIS 90 HE2 HIS 90 9.313 4.380 8.176 694 H GLY 91 H GLY 91 12.522 0.982 4.429 695 1HA GLY 91 1HA GLY 91 13.800 3.184 5.606 696 2HA GLY 91 2HA GLY 91 14.584 1.673 5.165 697 H TYR 92 H TYR 92 13.713 2.079 2.332 698 HA TYR 92 HA TYR 92 16.068 3.356 1.399 699 1HB TYR 92 2HB TYR 92 15.211 1.656 0.011 700 2HB TYR 92 1HB TYR 92 13.579 2.312 0.062 701 HD1 TYR 92 HD1 TYR 92 12.850 3.876 -1.529 702 HD2 TYR 92 HD2 TYR 92 16.972 2.861 -1.329 703 HE1 TYR 92 HE1 TYR 92 13.228 5.050 -3.651 704 HE2 TYR 92 HE2 TYR 92 17.370 4.035 -3.454 705 HH TYR 92 HH TYR 92 15.073 6.107 -4.868 706 H TRP 93 H TRP 93 12.631 4.342 1.286 707 HA TRP 93 HA TRP 93 13.032 6.821 0.064 708 1HB TRP 93 2HB TRP 93 10.967 6.310 2.208 709 2HB TRP 93 1HB TRP 93 10.882 7.475 0.894 710 HD1 TRP 93 HD1 TRP 93 11.600 5.512 -1.523 711 HE1 TRP 93 HE1 TRP 93 9.868 3.751 -2.251 712 HE3 TRP 93 HE3 TRP 93 8.827 5.299 2.759 713 HZ2 TRP 93 HZ2 TRP 93 7.612 2.449 -1.143 714 HZ3 TRP 93 HZ3 TRP 93 6.898 3.777 2.847 715 HH2 TRP 93 HH2 TRP 93 6.305 2.383 0.935 716 H THR 94 H THR 94 12.696 6.100 3.531 717 HA THR 94 HA THR 94 13.244 8.639 4.512 718 HB THR 94 HB THR 94 13.904 7.548 6.625 719 HG1 THR 94 HG1 THR 94 13.950 5.255 4.958 720 1HG2 THR 94 1HG2 THR 94 11.817 6.321 7.022 721 2HG2 THR 94 2HG2 THR 94 11.531 6.244 5.284 722 3HG2 THR 94 3HG2 THR 94 11.526 7.803 6.109 723 H GLN 95 H GLN 95 15.467 6.048 3.613 724 HA GLN 95 HA GLN 95 17.784 7.610 4.390 725 1HB GLN 95 2HB GLN 95 17.453 4.886 3.141 726 2HB GLN 95 1HB GLN 95 19.029 5.638 3.367 727 1HG GLN 95 2HG GLN 95 18.631 5.740 5.777 728 2HG GLN 95 1HG GLN 95 17.056 4.983 5.547 729 1HE2 GLN 95 1HE2 GLN 95 18.056 3.212 3.442 730 2HE2 GLN 95 2HE2 GLN 95 18.974 1.990 4.247 731 H GLN 96 H GLN 96 15.739 7.512 1.782 732 HA GLN 96 HA GLN 96 17.694 7.926 -0.281 733 1HB GLN 96 2HB GLN 96 15.558 6.886 -0.846 734 2HB GLN 96 1HB GLN 96 14.694 8.315 -0.303 735 1HG GLN 96 2HG GLN 96 15.766 9.620 -2.084 736 2HG GLN 96 1HG GLN 96 16.584 8.160 -2.641 737 1HE2 GLN 96 1HE2 GLN 96 15.612 8.261 -4.658 738 2HE2 GLN 96 2HE2 GLN 96 13.944 7.880 -4.900 739 H GLN 97 H GLN 97 15.797 9.845 1.901 740 HA GLN 97 HA GLN 97 15.759 12.066 2.384 741 1HB GLN 97 2HB GLN 97 18.320 12.119 0.774 742 2HB GLN 97 1HB GLN 97 17.749 13.412 1.819 743 1HG GLN 97 2HG GLN 97 17.918 11.927 3.751 744 2HG GLN 97 1HG GLN 97 18.495 10.633 2.703 745 1HE2 GLN 97 1HE2 GLN 97 20.066 12.471 1.057 746 2HE2 GLN 97 2HE2 GLN 97 21.457 12.879 1.994 747 H MET 98 H MET 98 14.184 11.240 0.297 748 HA MET 98 HA MET 98 12.917 12.018 -1.416 749 1HB MET 98 2HB MET 98 12.784 14.024 0.032 750 2HB MET 98 1HB MET 98 14.198 14.681 -0.780 751 1HG MET 98 2HG MET 98 12.977 14.733 -2.887 752 2HG MET 98 1HG MET 98 11.561 14.053 -2.088 753 1HE MET 98 1HE MET 98 13.948 17.151 -2.386 754 2HE MET 98 2HE MET 98 14.082 16.736 -0.676 755 3HE MET 98 3HE MET 98 13.287 18.233 -1.161 756 H GLN 99 H GLN 99 14.331 10.687 -2.767 757 HA GLN 99 HA GLN 99 15.489 10.300 -4.678 758 1HB GLN 99 2HB GLN 99 14.843 13.201 -5.221 759 2HB GLN 99 1HB GLN 99 15.430 12.052 -6.416 760 1HG GLN 99 2HG GLN 99 13.418 10.704 -6.114 761 2HG GLN 99 1HG GLN 99 12.831 11.852 -4.911 762 1HE2 GLN 99 1HE2 GLN 99 11.654 11.026 -7.453 763 2HE2 GLN 99 2HE2 GLN 99 11.441 12.472 -8.373 764 H GLN 100 H GLN 100 16.758 11.885 -2.252 765 HA GLN 100 HA GLN 100 18.743 12.904 -1.722 766 1HB GLN 100 2HB GLN 100 20.679 11.533 -2.319 767 2HB GLN 100 1HB GLN 100 19.319 10.535 -1.834 768 1HG GLN 100 2HG GLN 100 18.826 10.108 -4.211 769 2HG GLN 100 1HG GLN 100 20.258 11.038 -4.647 770 1HE2 GLN 100 1HE2 GLN 100 21.206 9.262 -5.647 771 2HE2 GLN 100 2HE2 GLN 100 21.873 7.948 -4.746 772 H LEU 101 H LEU 101 21.184 12.913 -3.317 773 HA LEU 101 HA LEU 101 20.502 15.166 -5.068 774 1HB LEU 101 2HB LEU 101 23.166 14.338 -3.909 775 2HB LEU 101 1HB LEU 101 22.885 15.761 -4.894 776 HG LEU 101 HG LEU 101 21.648 15.276 -2.181 777 1HD1 LEU 101 1HD1 LEU 101 23.937 17.064 -2.991 778 2HD1 LEU 101 2HD1 LEU 101 24.055 15.599 -2.014 779 3HD1 LEU 101 3HD1 LEU 101 23.188 17.004 -1.395 780 1HD2 LEU 101 1HD2 LEU 101 21.000 17.633 -2.330 781 2HD2 LEU 101 2HD2 LEU 101 20.270 16.678 -3.619 782 3HD2 LEU 101 3HD2 LEU 101 21.657 17.710 -3.965 783 H GLN 102 H GLN 102 20.429 12.172 -5.662 784 HA GLN 102 HA GLN 102 21.667 12.385 -8.281 785 1HB GLN 102 2HB GLN 102 23.369 11.389 -6.672 786 2HB GLN 102 1HB GLN 102 22.297 10.005 -6.536 787 1HG GLN 102 2HG GLN 102 22.511 9.587 -8.925 788 2HG GLN 102 1HG GLN 102 23.559 10.995 -9.083 789 1HE2 GLN 102 1HE2 GLN 102 24.082 8.185 -9.682 790 2HE2 GLN 102 2HE2 GLN 102 25.461 7.745 -8.739 791 H GLN 103 H GLN 103 21.133 10.336 -9.595 792 HA GLN 103 HA GLN 103 19.559 8.990 -10.534 793 1HB GLN 103 2HB GLN 103 19.843 7.678 -8.471 794 2HB GLN 103 1HB GLN 103 18.608 8.652 -7.685 795 1HG GLN 103 2HG GLN 103 16.954 7.849 -9.300 796 2HG GLN 103 1HG GLN 103 18.195 6.859 -10.067 797 1HE2 GLN 103 1HE2 GLN 103 17.996 7.353 -6.617 798 2HE2 GLN 103 2HE2 GLN 103 17.527 5.741 -6.215 799 H ASN 104 H ASN 104 18.548 10.586 -11.713 800 HA ASN 104 HA ASN 104 16.231 11.900 -10.499 801 1HB ASN 104 2HB ASN 104 17.610 12.379 -13.151 802 2HB ASN 104 1HB ASN 104 16.224 13.289 -12.558 803 1HD2 ASN 104 1HD2 ASN 104 17.345 15.221 -12.573 804 2HD2 ASN 104 2HD2 ASN 104 18.571 15.591 -11.415 805 H VAL 105 H VAL 105 15.183 9.748 -10.468 806 HA VAL 105 HA VAL 105 14.476 8.256 -12.677 807 HB VAL 105 HB VAL 105 12.335 7.724 -11.354 808 1HG1 VAL 105 1HG1 VAL 105 14.322 6.312 -11.342 809 2HG1 VAL 105 2HG1 VAL 105 15.034 7.306 -10.070 810 3HG1 VAL 105 3HG1 VAL 105 13.578 6.364 -9.744 811 1HG2 VAL 105 1HG2 VAL 105 13.785 9.381 -9.288 812 2HG2 VAL 105 2HG2 VAL 105 12.255 9.799 -10.059 813 3HG2 VAL 105 3HG2 VAL 105 12.353 8.390 -9.003 Start of MODEL 6 1 H GLN 9 H GLN 9 -23.327 -3.619 -4.302 2 HA GLN 9 HA GLN 9 -22.915 -4.756 -1.717 3 1HB GLN 9 2HB GLN 9 -24.598 -6.334 -2.577 4 2HB GLN 9 1HB GLN 9 -23.583 -6.652 -3.976 5 1HG GLN 9 2HG GLN 9 -21.856 -7.575 -2.520 6 2HG GLN 9 1HG GLN 9 -22.865 -7.246 -1.112 7 1HE2 GLN 9 1HE2 GLN 9 -22.945 -9.402 -0.521 8 2HE2 GLN 9 2HE2 GLN 9 -23.869 -10.570 -1.397 9 H ARG 10 H ARG 10 -22.114 -4.962 -5.163 10 HA ARG 10 HA ARG 10 -19.321 -5.515 -4.492 11 1HB ARG 10 2HB ARG 10 -20.720 -5.457 -7.172 12 2HB ARG 10 1HB ARG 10 -19.041 -5.909 -6.912 13 1HG ARG 10 2HG ARG 10 -19.750 -7.812 -5.563 14 2HG ARG 10 1HG ARG 10 -21.437 -7.354 -5.801 15 1HD ARG 10 2HD ARG 10 -19.490 -8.135 -7.968 16 2HD ARG 10 1HD ARG 10 -20.777 -9.151 -7.320 17 HE ARG 10 HE ARG 10 -21.836 -6.709 -8.278 18 1HH1 ARG 10 1HH1 ARG 10 -20.530 -9.747 -9.376 19 2HH1 ARG 10 2HH1 ARG 10 -21.414 -9.737 -10.866 20 1HH2 ARG 10 1HH2 ARG 10 -23.003 -6.686 -10.236 21 2HH2 ARG 10 2HH2 ARG 10 -22.821 -7.996 -11.354 22 H ARG 11 H ARG 11 -21.377 -3.037 -5.851 23 HA ARG 11 HA ARG 11 -19.188 -1.394 -6.746 24 1HB ARG 11 2HB ARG 11 -21.369 -1.331 -7.879 25 2HB ARG 11 1HB ARG 11 -22.121 -0.741 -6.406 26 1HG ARG 11 2HG ARG 11 -21.833 1.140 -7.781 27 2HG ARG 11 1HG ARG 11 -20.567 1.247 -6.558 28 1HD ARG 11 2HD ARG 11 -20.144 0.060 -9.295 29 2HD ARG 11 1HD ARG 11 -19.848 1.755 -8.916 30 HE ARG 11 HE ARG 11 -18.440 0.222 -7.067 31 1HH1 ARG 11 1HH1 ARG 11 -18.443 0.831 -10.498 32 2HH1 ARG 11 2HH1 ARG 11 -16.745 0.538 -10.680 33 1HH2 ARG 11 1HH2 ARG 11 -16.207 -0.164 -7.298 34 2HH2 ARG 11 2HH2 ARG 11 -15.474 -0.029 -8.862 35 H ILE 12 H ILE 12 -18.141 0.142 -5.642 36 HA ILE 12 HA ILE 12 -18.922 0.596 -2.858 37 HB ILE 12 HB ILE 12 -16.671 1.586 -2.595 38 1HG1 ILE 12 2HG1 ILE 12 -16.220 0.648 -5.438 39 2HG1 ILE 12 1HG1 ILE 12 -16.432 2.332 -4.966 40 1HG2 ILE 12 1HG2 ILE 12 -15.429 -0.517 -2.775 41 2HG2 ILE 12 2HG2 ILE 12 -16.705 -1.180 -3.798 42 3HG2 ILE 12 3HG2 ILE 12 -17.045 -0.771 -2.116 43 1HD1 ILE 12 1HD1 ILE 12 -14.091 1.803 -5.287 44 2HD1 ILE 12 2HD1 ILE 12 -14.200 0.515 -4.086 45 3HD1 ILE 12 3HD1 ILE 12 -14.412 2.197 -3.599 46 H ARG 13 H ARG 13 -18.184 2.916 -2.092 47 HA ARG 13 HA ARG 13 -19.346 4.864 -3.974 48 1HB ARG 13 2HB ARG 13 -20.191 6.089 -2.010 49 2HB ARG 13 1HB ARG 13 -20.857 4.466 -2.114 50 1HG ARG 13 2HG ARG 13 -19.279 3.702 -0.416 51 2HG ARG 13 1HG ARG 13 -18.600 5.328 -0.316 52 1HD ARG 13 2HD ARG 13 -20.774 6.188 0.406 53 2HD ARG 13 1HD ARG 13 -21.452 4.564 0.305 54 HE ARG 13 HE ARG 13 -19.235 4.473 2.001 55 1HH1 ARG 13 1HH1 ARG 13 -22.421 5.883 1.904 56 2HH1 ARG 13 2HH1 ARG 13 -22.616 5.876 3.624 57 1HH2 ARG 13 1HH2 ARG 13 -19.486 4.459 4.266 58 2HH2 ARG 13 2HH2 ARG 13 -20.948 5.067 4.967 59 H ARG 14 H ARG 14 -16.530 3.927 -2.650 60 HA ARG 14 HA ARG 14 -15.490 6.557 -1.992 61 1HB ARG 14 2HB ARG 14 -14.191 3.828 -2.050 62 2HB ARG 14 1HB ARG 14 -13.348 5.304 -1.606 63 1HG ARG 14 2HG ARG 14 -13.927 4.339 0.429 64 2HG ARG 14 1HG ARG 14 -15.150 5.587 0.183 65 1HD ARG 14 2HD ARG 14 -16.721 3.914 -0.621 66 2HD ARG 14 1HD ARG 14 -15.494 2.658 -0.456 67 HE ARG 14 HE ARG 14 -15.951 4.025 2.002 68 1HH1 ARG 14 1HH1 ARG 14 -17.235 1.567 -0.109 69 2HH1 ARG 14 2HH1 ARG 14 -18.054 0.722 1.163 70 1HH2 ARG 14 1HH2 ARG 14 -17.025 2.918 3.681 71 2HH2 ARG 14 2HH2 ARG 14 -17.934 1.490 3.316 72 HA PRO 15 HA PRO 15 -13.871 7.427 -6.012 73 1HB PRO 15 2HB PRO 15 -11.718 8.954 -5.406 74 2HB PRO 15 1HB PRO 15 -13.377 9.532 -5.224 75 1HG PRO 15 2HG PRO 15 -11.511 8.450 -3.148 76 2HG PRO 15 1HG PRO 15 -12.591 9.854 -3.058 77 1HD PRO 15 2HD PRO 15 -13.215 7.452 -1.965 78 2HD PRO 15 1HD PRO 15 -14.443 8.558 -2.615 79 H PHE 16 H PHE 16 -11.534 6.309 -3.594 80 HA PHE 16 HA PHE 16 -10.230 4.718 -5.690 81 1HB PHE 16 2HB PHE 16 -8.905 6.500 -3.656 82 2HB PHE 16 1HB PHE 16 -8.048 5.165 -4.418 83 HD1 PHE 16 HD1 PHE 16 -9.688 8.404 -5.008 84 HD2 PHE 16 HD2 PHE 16 -7.286 5.304 -6.661 85 HE1 PHE 16 HE1 PHE 16 -9.150 9.848 -6.927 86 HE2 PHE 16 HE2 PHE 16 -6.744 6.743 -8.582 87 HZ PHE 16 HZ PHE 16 -7.676 9.018 -8.716 88 H SER 17 H SER 17 -8.941 2.915 -4.821 89 HA SER 17 HA SER 17 -9.530 2.060 -2.114 90 1HB SER 17 2HB SER 17 -10.514 -0.092 -2.826 91 2HB SER 17 1HB SER 17 -11.510 1.274 -3.327 92 HG SER 17 HG SER 17 -10.800 1.031 -5.401 93 H VAL 18 H VAL 18 -8.589 -0.316 -1.881 94 HA VAL 18 HA VAL 18 -5.847 -0.170 -2.207 95 HB VAL 18 HB VAL 18 -6.922 -1.712 -0.631 96 1HG1 VAL 18 1HG1 VAL 18 -7.854 -3.840 -1.414 97 2HG1 VAL 18 2HG1 VAL 18 -8.772 -2.462 -2.024 98 3HG1 VAL 18 3HG1 VAL 18 -7.648 -3.314 -3.084 99 1HG2 VAL 18 1HG2 VAL 18 -5.435 -3.633 -0.971 100 2HG2 VAL 18 2HG2 VAL 18 -5.124 -3.098 -2.622 101 3HG2 VAL 18 3HG2 VAL 18 -4.603 -2.105 -1.260 102 H ALA 19 H ALA 19 -8.282 -1.497 -4.360 103 HA ALA 19 HA ALA 19 -6.666 -2.893 -6.143 104 1HB ALA 19 1HB ALA 19 -9.023 -3.125 -6.315 105 2HB ALA 19 2HB ALA 19 -9.240 -1.394 -6.576 106 3HB ALA 19 3HB ALA 19 -8.476 -2.385 -7.818 107 H GLU 20 H GLU 20 -7.423 0.532 -5.939 108 HA GLU 20 HA GLU 20 -5.904 1.168 -8.320 109 1HB GLU 20 2HB GLU 20 -7.278 2.919 -6.272 110 2HB GLU 20 1HB GLU 20 -6.478 3.520 -7.715 111 1HG GLU 20 2HG GLU 20 -8.846 1.666 -7.662 112 2HG GLU 20 1HG GLU 20 -8.891 3.395 -8.007 113 H VAL 21 H VAL 21 -5.478 1.027 -4.898 114 HA VAL 21 HA VAL 21 -3.325 2.755 -4.531 115 HB VAL 21 HB VAL 21 -4.081 0.218 -3.088 116 1HG1 VAL 21 1HG1 VAL 21 -2.506 0.931 -1.315 117 2HG1 VAL 21 2HG1 VAL 21 -1.697 0.468 -2.811 118 3HG1 VAL 21 3HG1 VAL 21 -1.889 2.174 -2.404 119 1HG2 VAL 21 1HG2 VAL 21 -4.281 3.127 -2.318 120 2HG2 VAL 21 2HG2 VAL 21 -5.613 2.114 -2.871 121 3HG2 VAL 21 3HG2 VAL 21 -4.810 1.756 -1.343 122 H GLU 22 H GLU 22 -3.429 -0.560 -5.747 123 HA GLU 22 HA GLU 22 -0.789 -1.289 -5.592 124 1HB GLU 22 2HB GLU 22 -1.197 -2.786 -7.396 125 2HB GLU 22 1HB GLU 22 -2.690 -2.660 -6.493 126 1HG GLU 22 2HG GLU 22 -3.560 -1.104 -8.173 127 2HG GLU 22 1HG GLU 22 -2.066 -1.278 -9.088 128 H ALA 23 H ALA 23 -2.340 0.584 -8.169 129 HA ALA 23 HA ALA 23 -0.010 1.086 -9.667 130 1HB ALA 23 1HB ALA 23 -2.190 1.414 -10.650 131 2HB ALA 23 2HB ALA 23 -2.578 2.662 -9.466 132 3HB ALA 23 3HB ALA 23 -1.319 2.947 -10.666 133 H LEU 24 H LEU 24 -1.614 2.860 -7.066 134 HA LEU 24 HA LEU 24 0.005 5.136 -7.048 135 1HB LEU 24 2HB LEU 24 -2.094 4.940 -5.783 136 2HB LEU 24 1HB LEU 24 -1.343 3.768 -4.717 137 HG LEU 24 HG LEU 24 0.258 5.525 -3.980 138 1HD1 LEU 24 1HD1 LEU 24 -1.520 7.341 -5.601 139 2HD1 LEU 24 2HD1 LEU 24 0.167 6.956 -5.946 140 3HD1 LEU 24 3HD1 LEU 24 -0.252 7.861 -4.491 141 1HD2 LEU 24 1HD2 LEU 24 -1.349 6.738 -2.594 142 2HD2 LEU 24 2HD2 LEU 24 -1.734 5.020 -2.673 143 3HD2 LEU 24 3HD2 LEU 24 -2.664 6.177 -3.626 144 H VAL 25 H VAL 25 0.548 1.910 -5.876 145 HA VAL 25 HA VAL 25 2.782 2.523 -4.205 146 HB VAL 25 HB VAL 25 1.887 -0.085 -5.445 147 1HG1 VAL 25 1HG1 VAL 25 3.426 -1.144 -3.794 148 2HG1 VAL 25 2HG1 VAL 25 4.247 -0.255 -5.078 149 3HG1 VAL 25 3HG1 VAL 25 4.097 0.455 -3.471 150 1HG2 VAL 25 1HG2 VAL 25 1.631 1.040 -2.661 151 2HG2 VAL 25 2HG2 VAL 25 0.327 0.750 -3.811 152 3HG2 VAL 25 3HG2 VAL 25 1.210 -0.611 -3.120 153 H GLN 26 H GLN 26 2.368 1.435 -7.543 154 HA GLN 26 HA GLN 26 5.121 1.103 -8.108 155 1HB GLN 26 2HB GLN 26 3.310 0.114 -9.475 156 2HB GLN 26 1HB GLN 26 2.855 1.724 -10.014 157 1HG GLN 26 2HG GLN 26 5.034 1.989 -11.080 158 2HG GLN 26 1HG GLN 26 5.499 0.381 -10.530 159 1HE2 GLN 26 1HE2 GLN 26 4.572 -1.427 -11.493 160 2HE2 GLN 26 2HE2 GLN 26 3.741 -1.339 -13.005 161 H ALA 27 H ALA 27 3.116 3.851 -7.786 162 HA ALA 27 HA ALA 27 4.841 5.602 -9.327 163 1HB ALA 27 1HB ALA 27 3.258 7.354 -8.753 164 2HB ALA 27 2HB ALA 27 2.416 5.934 -9.374 165 3HB ALA 27 3HB ALA 27 2.431 6.262 -7.641 166 H VAL 28 H VAL 28 4.079 4.959 -5.934 167 HA VAL 28 HA VAL 28 5.803 7.097 -5.014 168 HB VAL 28 HB VAL 28 5.189 6.400 -2.757 169 1HG1 VAL 28 1HG1 VAL 28 2.845 6.576 -4.648 170 2HG1 VAL 28 2HG1 VAL 28 2.774 6.844 -2.907 171 3HG1 VAL 28 3HG1 VAL 28 3.717 7.929 -3.928 172 1HG2 VAL 28 1HG2 VAL 28 5.089 4.005 -3.053 173 2HG2 VAL 28 2HG2 VAL 28 3.541 4.584 -2.439 174 3HG2 VAL 28 3HG2 VAL 28 3.712 4.164 -4.143 175 H GLU 29 H GLU 29 6.183 3.766 -5.752 176 HA GLU 29 HA GLU 29 8.076 2.948 -3.899 177 1HB GLU 29 2HB GLU 29 8.939 1.461 -5.776 178 2HB GLU 29 1HB GLU 29 7.243 1.297 -5.345 179 1HG GLU 29 2HG GLU 29 6.522 2.368 -7.273 180 2HG GLU 29 1HG GLU 29 8.098 3.087 -7.582 181 H LYS 30 H LYS 30 8.395 5.396 -6.258 182 HA LYS 30 HA LYS 30 11.329 5.247 -6.135 183 1HB LYS 30 2HB LYS 30 11.182 6.973 -7.990 184 2HB LYS 30 1HB LYS 30 10.608 5.356 -8.380 185 1HG LYS 30 2HG LYS 30 8.314 6.063 -8.086 186 2HG LYS 30 1HG LYS 30 8.853 7.670 -7.593 187 1HD LYS 30 2HD LYS 30 9.721 8.124 -9.766 188 2HD LYS 30 1HD LYS 30 9.492 6.449 -10.271 189 1HE LYS 30 2HE LYS 30 7.276 8.345 -9.508 190 2HE LYS 30 1HE LYS 30 7.766 7.976 -11.158 191 1HZ LYS 30 1HZ LYS 30 7.170 5.679 -10.810 192 2HZ LYS 30 2HZ LYS 30 5.846 6.669 -10.455 193 3HZ LYS 30 3HZ LYS 30 6.755 5.989 -9.201 194 H LEU 31 H LEU 31 8.659 7.585 -5.793 195 HA LEU 31 HA LEU 31 10.499 9.391 -4.388 196 1HB LEU 31 2HB LEU 31 8.586 11.053 -4.720 197 2HB LEU 31 1HB LEU 31 9.516 10.583 -6.129 198 HG LEU 31 HG LEU 31 7.651 8.879 -6.580 199 1HD1 LEU 31 1HD1 LEU 31 6.557 8.951 -4.425 200 2HD1 LEU 31 2HD1 LEU 31 5.449 9.509 -5.680 201 3HD1 LEU 31 3HD1 LEU 31 6.236 10.674 -4.615 202 1HD2 LEU 31 1HD2 LEU 31 7.073 11.832 -6.774 203 2HD2 LEU 31 2HD2 LEU 31 6.286 10.563 -7.713 204 3HD2 LEU 31 3HD2 LEU 31 8.008 10.876 -7.925 205 H GLY 32 H GLY 32 9.260 7.003 -3.205 206 1HA GLY 32 1HA GLY 32 7.106 7.723 -1.523 207 2HA GLY 32 2HA GLY 32 8.193 6.367 -1.273 208 H THR 33 H THR 33 7.334 7.529 0.933 209 HA THR 33 HA THR 33 9.750 8.681 2.037 210 HB THR 33 HB THR 33 7.149 10.213 2.231 211 HG1 THR 33 HG1 THR 33 9.378 11.436 1.153 212 1HG2 THR 33 1HG2 THR 33 8.495 10.374 4.263 213 2HG2 THR 33 2HG2 THR 33 8.506 11.904 3.388 214 3HG2 THR 33 3HG2 THR 33 9.904 10.833 3.307 215 H GLY 34 H GLY 34 6.447 7.554 2.483 216 1HA GLY 34 1HA GLY 34 7.029 5.863 4.613 217 2HA GLY 34 2HA GLY 34 6.513 7.391 5.313 218 H ARG 35 H ARG 35 5.284 6.201 2.276 219 HA ARG 35 HA ARG 35 3.158 5.848 1.565 220 1HB ARG 35 2HB ARG 35 2.147 3.885 2.406 221 2HB ARG 35 1HB ARG 35 3.878 3.649 2.586 222 1HG ARG 35 2HG ARG 35 2.582 4.802 4.942 223 2HG ARG 35 1HG ARG 35 2.011 3.189 4.512 224 1HD ARG 35 2HD ARG 35 4.315 2.374 4.511 225 2HD ARG 35 1HD ARG 35 4.891 3.989 4.928 226 HE ARG 35 HE ARG 35 2.973 2.950 6.790 227 1HH1 ARG 35 1HH1 ARG 35 6.341 3.011 5.909 228 2HH1 ARG 35 2HH1 ARG 35 6.898 2.634 7.506 229 1HH2 ARG 35 1HH2 ARG 35 3.696 2.455 8.895 230 2HH2 ARG 35 2HH2 ARG 35 5.394 2.318 9.202 231 H TRP 36 H TRP 36 3.520 8.073 3.500 232 HA TRP 36 HA TRP 36 1.369 8.246 5.279 233 1HB TRP 36 2HB TRP 36 2.645 10.529 3.756 234 2HB TRP 36 1HB TRP 36 1.751 10.645 5.269 235 HD1 TRP 36 HD1 TRP 36 5.190 10.052 3.905 236 HE1 TRP 36 HE1 TRP 36 6.836 9.640 5.840 237 HE3 TRP 36 HE3 TRP 36 1.833 9.498 7.723 238 HZ2 TRP 36 HZ2 TRP 36 6.726 9.145 8.618 239 HZ3 TRP 36 HZ3 TRP 36 2.687 9.058 9.988 240 HH2 TRP 36 HH2 TRP 36 5.082 8.884 10.425 241 H ARG 37 H ARG 37 1.660 9.340 1.911 242 HA ARG 37 HA ARG 37 -0.968 10.348 1.694 243 1HB ARG 37 2HB ARG 37 -0.557 10.182 -0.762 244 2HB ARG 37 1HB ARG 37 0.719 11.017 0.114 245 1HG ARG 37 2HG ARG 37 1.870 8.702 0.163 246 2HG ARG 37 1HG ARG 37 0.756 8.312 -1.151 247 1HD ARG 37 2HD ARG 37 2.785 9.087 -2.133 248 2HD ARG 37 1HD ARG 37 1.575 10.352 -2.332 249 HE ARG 37 HE ARG 37 2.952 10.904 0.013 250 1HH1 ARG 37 1HH1 ARG 37 3.626 10.679 -3.399 251 2HH1 ARG 37 2HH1 ARG 37 4.909 11.841 -3.353 252 1HH2 ARG 37 1HH2 ARG 37 4.641 12.434 0.083 253 2HH2 ARG 37 2HH2 ARG 37 5.487 12.838 -1.373 254 H ASP 38 H ASP 38 0.422 7.174 1.348 255 HA ASP 38 HA ASP 38 -1.726 5.926 0.008 256 1HB ASP 38 2HB ASP 38 0.509 4.923 0.127 257 2HB ASP 38 1HB ASP 38 0.343 4.737 1.870 258 H VAL 39 H VAL 39 -0.791 5.618 3.439 259 HA VAL 39 HA VAL 39 -3.069 4.333 4.333 260 HB VAL 39 HB VAL 39 -1.099 4.576 5.739 261 1HG1 VAL 39 1HG1 VAL 39 -0.435 6.823 5.082 262 2HG1 VAL 39 2HG1 VAL 39 -1.835 7.495 5.916 263 3HG1 VAL 39 3HG1 VAL 39 -0.561 6.695 6.836 264 1HG2 VAL 39 1HG2 VAL 39 -3.557 5.840 6.944 265 2HG2 VAL 39 2HG2 VAL 39 -3.168 4.122 6.888 266 3HG2 VAL 39 3HG2 VAL 39 -2.191 5.215 7.867 267 H LYS 40 H LYS 40 -2.615 7.684 3.525 268 HA LYS 40 HA LYS 40 -4.860 8.713 4.914 269 1HB LYS 40 2HB LYS 40 -3.162 9.704 2.650 270 2HB LYS 40 1HB LYS 40 -4.608 10.579 3.127 271 1HG LYS 40 2HG LYS 40 -2.371 9.895 5.017 272 2HG LYS 40 1HG LYS 40 -2.486 11.418 4.134 273 1HD LYS 40 2HD LYS 40 -4.690 11.815 5.189 274 2HD LYS 40 1HD LYS 40 -4.475 10.339 6.130 275 1HE LYS 40 2HE LYS 40 -3.874 12.309 7.436 276 2HE LYS 40 1HE LYS 40 -2.472 11.277 7.159 277 1HZ LYS 40 1HZ LYS 40 -1.782 12.757 5.376 278 2HZ LYS 40 2HZ LYS 40 -1.933 13.606 6.832 279 3HZ LYS 40 3HZ LYS 40 -3.129 13.747 5.643 280 H LEU 41 H LEU 41 -4.411 7.915 1.455 281 HA LEU 41 HA LEU 41 -7.347 7.817 1.217 282 1HB LEU 41 2HB LEU 41 -6.047 9.582 -0.091 283 2HB LEU 41 1HB LEU 41 -5.427 8.259 -1.060 284 HG LEU 41 HG LEU 41 -7.771 7.672 -1.677 285 1HD1 LEU 41 1HD1 LEU 41 -8.910 8.645 0.241 286 2HD1 LEU 41 2HD1 LEU 41 -9.532 9.317 -1.266 287 3HD1 LEU 41 3HD1 LEU 41 -8.421 10.260 -0.273 288 1HD2 LEU 41 1HD2 LEU 41 -6.898 10.486 -2.322 289 2HD2 LEU 41 2HD2 LEU 41 -8.068 9.533 -3.235 290 3HD2 LEU 41 3HD2 LEU 41 -6.383 9.021 -3.157 291 H CYS 42 H CYS 42 -5.478 5.619 2.001 292 HA CYS 42 HA CYS 42 -4.973 3.804 -0.020 293 1HB CYS 42 2HB CYS 42 -4.264 3.443 2.302 294 2HB CYS 42 1HB CYS 42 -5.940 3.209 2.789 295 HG CYS 42 HG CYS 42 -5.950 0.990 0.716 296 H ALA 43 H ALA 43 -7.921 4.288 1.833 297 HA ALA 43 HA ALA 43 -9.714 3.801 -0.244 298 1HB ALA 43 1HB ALA 43 -9.252 1.368 1.482 299 2HB ALA 43 2HB ALA 43 -10.568 1.564 0.325 300 3HB ALA 43 3HB ALA 43 -8.899 1.510 -0.239 301 H PHE 44 H PHE 44 -9.215 5.335 2.273 302 HA PHE 44 HA PHE 44 -10.440 6.374 3.871 303 1HB PHE 44 2HB PHE 44 -12.258 6.293 2.093 304 2HB PHE 44 1HB PHE 44 -12.832 4.815 2.857 305 HD1 PHE 44 HD1 PHE 44 -12.038 8.365 3.658 306 HD2 PHE 44 HD2 PHE 44 -14.430 4.949 4.511 307 HE1 PHE 44 HE1 PHE 44 -13.387 9.705 5.221 308 HE2 PHE 44 HE2 PHE 44 -15.784 6.283 6.075 309 HZ PHE 44 HZ PHE 44 -15.261 8.663 6.433 310 H GLU 45 H GLU 45 -9.437 3.461 3.762 311 HA GLU 45 HA GLU 45 -10.912 2.243 5.910 312 1HB GLU 45 2HB GLU 45 -8.502 1.329 4.343 313 2HB GLU 45 1HB GLU 45 -9.238 0.388 5.634 314 1HG GLU 45 2HG GLU 45 -10.599 1.251 3.092 315 2HG GLU 45 1HG GLU 45 -9.965 -0.358 3.432 316 H ASP 46 H ASP 46 -7.611 3.439 5.370 317 HA ASP 46 HA ASP 46 -7.213 3.407 8.288 318 1HB ASP 46 2HB ASP 46 -5.154 3.413 6.071 319 2HB ASP 46 1HB ASP 46 -4.793 3.424 7.795 320 H ALA 47 H ALA 47 -8.558 5.475 6.601 321 HA ALA 47 HA ALA 47 -6.880 7.740 6.379 322 1HB ALA 47 1HB ALA 47 -9.879 7.636 6.681 323 2HB ALA 47 2HB ALA 47 -8.938 9.012 6.107 324 3HB ALA 47 3HB ALA 47 -8.992 7.526 5.160 325 H ASP 48 H ASP 48 -7.970 6.149 9.096 326 HA ASP 48 HA ASP 48 -7.922 8.584 10.744 327 1HB ASP 48 2HB ASP 48 -9.946 7.177 10.950 328 2HB ASP 48 1HB ASP 48 -8.941 5.823 11.453 329 H HIS 49 H HIS 49 -6.020 6.037 9.766 330 HA HIS 49 HA HIS 49 -3.987 5.245 10.392 331 1HB HIS 49 2HB HIS 49 -3.982 7.550 12.351 332 2HB HIS 49 1HB HIS 49 -2.580 6.619 11.839 333 HD1 HIS 49 HD1 HIS 49 -1.452 7.304 9.687 334 HD2 HIS 49 HD2 HIS 49 -5.054 9.273 10.325 335 HE1 HIS 49 HE1 HIS 49 -1.554 9.102 7.932 336 HE2 HIS 49 HE2 HIS 49 -3.792 10.208 8.270 337 H ARG 50 H ARG 50 -4.060 3.329 11.341 338 HA ARG 50 HA ARG 50 -5.250 3.052 13.990 339 1HB ARG 50 2HB ARG 50 -4.264 0.935 12.072 340 2HB ARG 50 1HB ARG 50 -5.139 0.639 13.569 341 1HG ARG 50 2HG ARG 50 -7.086 1.801 12.669 342 2HG ARG 50 1HG ARG 50 -6.208 2.113 11.170 343 1HD ARG 50 2HD ARG 50 -5.990 -0.308 10.812 344 2HD ARG 50 1HD ARG 50 -6.905 -0.599 12.291 345 HE ARG 50 HE ARG 50 -8.409 1.052 10.586 346 1HH1 ARG 50 1HH1 ARG 50 -7.269 -2.232 10.827 347 2HH1 ARG 50 2HH1 ARG 50 -8.589 -2.892 9.919 348 1HH2 ARG 50 1HH2 ARG 50 -10.149 0.192 9.391 349 2HH2 ARG 50 2HH2 ARG 50 -10.225 -1.515 9.103 350 H THR 51 H THR 51 -2.363 1.656 12.413 351 HA THR 51 HA THR 51 -0.695 2.451 14.646 352 HB THR 51 HB THR 51 -0.925 -0.489 13.994 353 HG1 THR 51 HG1 THR 51 -2.024 0.962 16.190 354 1HG2 THR 51 1HG2 THR 51 1.228 0.095 14.886 355 2HG2 THR 51 2HG2 THR 51 0.305 -0.716 16.151 356 3HG2 THR 51 3HG2 THR 51 0.487 1.038 16.179 357 H TYR 52 H TYR 52 1.572 2.177 14.210 358 HA TYR 52 HA TYR 52 2.267 2.663 11.545 359 1HB TYR 52 2HB TYR 52 4.553 2.690 12.252 360 2HB TYR 52 1HB TYR 52 3.580 3.432 13.509 361 HD1 TYR 52 HD1 TYR 52 2.655 1.246 15.151 362 HD2 TYR 52 HD2 TYR 52 6.391 1.692 13.168 363 HE1 TYR 52 HE1 TYR 52 3.707 -0.207 16.824 364 HE2 TYR 52 HE2 TYR 52 7.452 0.228 14.833 365 HH TYR 52 HH TYR 52 5.677 -1.661 17.022 366 H VAL 53 H VAL 53 2.630 -0.323 13.463 367 HA VAL 53 HA VAL 53 3.784 -1.739 11.245 368 HB VAL 53 HB VAL 53 2.727 -2.737 13.893 369 1HG1 VAL 53 1HG1 VAL 53 3.826 -4.875 13.318 370 2HG1 VAL 53 2HG1 VAL 53 2.469 -4.503 12.254 371 3HG1 VAL 53 3HG1 VAL 53 4.125 -4.260 11.693 372 1HG2 VAL 53 1HG2 VAL 53 5.025 -2.980 14.500 373 2HG2 VAL 53 2HG2 VAL 53 5.554 -2.583 12.865 374 3HG2 VAL 53 3HG2 VAL 53 4.805 -1.346 13.873 375 H ASP 54 H ASP 54 0.588 -1.644 12.796 376 HA ASP 54 HA ASP 54 -0.654 -3.654 11.324 377 1HB ASP 54 2HB ASP 54 -1.761 -1.099 12.492 378 2HB ASP 54 1HB ASP 54 -2.780 -2.322 11.738 379 H LEU 55 H LEU 55 -0.463 -0.176 10.616 380 HA LEU 55 HA LEU 55 -1.773 -0.288 8.133 381 1HB LEU 55 2HB LEU 55 -1.398 1.800 9.377 382 2HB LEU 55 1HB LEU 55 0.326 1.657 9.113 383 HG LEU 55 HG LEU 55 -1.008 3.308 7.662 384 1HD1 LEU 55 1HD1 LEU 55 0.452 2.989 5.791 385 2HD1 LEU 55 2HD1 LEU 55 0.734 1.307 6.238 386 3HD1 LEU 55 3HD1 LEU 55 1.336 2.606 7.269 387 1HD2 LEU 55 1HD2 LEU 55 -1.685 0.759 6.202 388 2HD2 LEU 55 2HD2 LEU 55 -2.025 2.401 5.660 389 3HD2 LEU 55 3HD2 LEU 55 -2.830 1.761 7.092 390 H LYS 56 H LYS 56 1.579 -0.714 9.098 391 HA LYS 56 HA LYS 56 2.683 -0.835 6.497 392 1HB LYS 56 2HB LYS 56 4.139 -0.460 8.376 393 2HB LYS 56 1HB LYS 56 3.626 -1.956 9.140 394 1HG LYS 56 2HG LYS 56 5.820 -2.242 8.203 395 2HG LYS 56 1HG LYS 56 4.667 -3.220 7.295 396 1HD LYS 56 2HD LYS 56 6.070 -2.194 5.692 397 2HD LYS 56 1HD LYS 56 4.546 -1.309 5.640 398 1HE LYS 56 2HE LYS 56 6.262 0.316 5.591 399 2HE LYS 56 1HE LYS 56 5.599 0.349 7.224 400 1HZ LYS 56 1HZ LYS 56 7.450 -0.944 8.004 401 2HZ LYS 56 2HZ LYS 56 8.038 0.411 7.181 402 3HZ LYS 56 3HZ LYS 56 8.064 -1.106 6.435 403 H ASP 57 H ASP 57 0.940 -3.089 8.458 404 HA ASP 57 HA ASP 57 1.742 -5.451 7.095 405 1HB ASP 57 2HB ASP 57 -0.605 -4.841 8.894 406 2HB ASP 57 1HB ASP 57 -0.317 -6.434 8.205 407 H LYS 58 H LYS 58 -0.937 -3.178 6.791 408 HA LYS 58 HA LYS 58 -2.381 -4.619 4.834 409 1HB LYS 58 2HB LYS 58 -2.305 -1.640 5.359 410 2HB LYS 58 1HB LYS 58 -3.513 -2.472 4.389 411 1HG LYS 58 2HG LYS 58 -3.033 -2.955 7.323 412 2HG LYS 58 1HG LYS 58 -4.297 -1.919 6.657 413 1HD LYS 58 2HD LYS 58 -5.256 -3.846 5.489 414 2HD LYS 58 1HD LYS 58 -3.989 -4.880 6.154 415 1HE LYS 58 2HE LYS 58 -6.060 -5.100 7.423 416 2HE LYS 58 1HE LYS 58 -4.777 -4.406 8.413 417 1HZ LYS 58 1HZ LYS 58 -6.956 -2.882 7.089 418 2HZ LYS 58 2HZ LYS 58 -5.725 -2.213 8.035 419 3HZ LYS 58 3HZ LYS 58 -6.866 -3.243 8.739 420 H TRP 59 H TRP 59 0.280 -2.364 4.703 421 HA TRP 59 HA TRP 59 0.231 -2.008 1.861 422 1HB TRP 59 2HB TRP 59 1.281 -0.220 2.845 423 2HB TRP 59 1HB TRP 59 1.980 -1.199 4.128 424 HD1 TRP 59 HD1 TRP 59 4.299 -2.493 3.543 425 HE1 TRP 59 HE1 TRP 59 6.155 -1.913 1.856 426 HE3 TRP 59 HE3 TRP 59 1.713 0.780 0.588 427 HZ2 TRP 59 HZ2 TRP 59 6.477 -0.285 -0.428 428 HZ3 TRP 59 HZ3 TRP 59 2.868 1.806 -1.325 429 HH2 TRP 59 HH2 TRP 59 5.200 1.284 -1.821 430 H LYS 60 H LYS 60 2.149 -3.922 4.125 431 HA LYS 60 HA LYS 60 3.872 -5.108 2.249 432 1HB LYS 60 2HB LYS 60 4.671 -5.341 4.386 433 2HB LYS 60 1HB LYS 60 3.079 -5.630 5.067 434 1HG LYS 60 2HG LYS 60 4.198 -7.721 3.290 435 2HG LYS 60 1HG LYS 60 4.924 -7.525 4.885 436 1HD LYS 60 2HD LYS 60 2.792 -7.859 5.956 437 2HD LYS 60 1HD LYS 60 1.968 -7.884 4.395 438 1HE LYS 60 2HE LYS 60 3.179 -9.914 3.785 439 2HE LYS 60 1HE LYS 60 4.022 -9.880 5.332 440 1HZ LYS 60 1HZ LYS 60 1.904 -10.155 6.458 441 2HZ LYS 60 2HZ LYS 60 2.163 -11.422 5.369 442 3HZ LYS 60 3HZ LYS 60 1.088 -10.177 4.975 443 H THR 61 H THR 61 0.655 -5.956 3.353 444 HA THR 61 HA THR 61 0.689 -8.533 2.065 445 HB THR 61 HB THR 61 -0.699 -8.102 4.091 446 HG1 THR 61 HG1 THR 61 -2.619 -8.755 2.214 447 1HG2 THR 61 1HG2 THR 61 -2.387 -6.486 2.178 448 2HG2 THR 61 2HG2 THR 61 -1.455 -5.844 3.528 449 3HG2 THR 61 3HG2 THR 61 -2.824 -6.913 3.833 450 H LEU 62 H LEU 62 -0.230 -5.296 1.293 451 HA LEU 62 HA LEU 62 -1.853 -5.885 -0.961 452 1HB LEU 62 2HB LEU 62 -2.307 -3.761 -0.402 453 2HB LEU 62 1HB LEU 62 -0.765 -3.548 0.394 454 HG LEU 62 HG LEU 62 0.187 -3.282 -2.001 455 1HD1 LEU 62 1HD1 LEU 62 -1.405 -2.380 -3.611 456 2HD1 LEU 62 2HD1 LEU 62 -2.730 -2.702 -2.493 457 3HD1 LEU 62 3HD1 LEU 62 -1.810 -4.041 -3.179 458 1HD2 LEU 62 1HD2 LEU 62 -0.309 -0.894 -1.937 459 2HD2 LEU 62 2HD2 LEU 62 0.073 -1.511 -0.330 460 3HD2 LEU 62 3HD2 LEU 62 -1.602 -1.188 -0.776 461 H VAL 63 H VAL 63 1.572 -5.583 -0.426 462 HA VAL 63 HA VAL 63 2.152 -5.457 -3.269 463 HB VAL 63 HB VAL 63 4.519 -5.374 -2.602 464 1HG1 VAL 63 1HG1 VAL 63 2.742 -3.436 -1.123 465 2HG1 VAL 63 2HG1 VAL 63 4.442 -3.178 -1.516 466 3HG1 VAL 63 3HG1 VAL 63 3.249 -3.308 -2.808 467 1HG2 VAL 63 1HG2 VAL 63 3.451 -5.497 0.216 468 2HG2 VAL 63 2HG2 VAL 63 4.394 -6.750 -0.591 469 3HG2 VAL 63 3HG2 VAL 63 5.124 -5.183 -0.241 470 H HIS 64 H HIS 64 2.368 -7.810 -0.621 471 HA HIS 64 HA HIS 64 3.795 -9.707 -2.238 472 1HB HIS 64 2HB HIS 64 3.943 -11.033 -0.381 473 2HB HIS 64 1HB HIS 64 3.652 -9.486 0.397 474 HD1 HIS 64 HD1 HIS 64 1.959 -9.596 2.179 475 HD2 HIS 64 HD2 HIS 64 1.305 -12.503 -0.714 476 HE1 HIS 64 HE1 HIS 64 0.013 -10.951 3.013 477 HE2 HIS 64 HE2 HIS 64 -0.305 -12.758 1.290 478 H THR 65 H THR 65 0.449 -9.050 -1.507 479 HA THR 65 HA THR 65 -0.524 -11.487 -2.693 480 HB THR 65 HB THR 65 -2.053 -8.963 -2.020 481 HG1 THR 65 HG1 THR 65 -0.884 -10.269 -0.288 482 1HG2 THR 65 1HG2 THR 65 -4.013 -10.458 -1.980 483 2HG2 THR 65 2HG2 THR 65 -2.994 -11.790 -2.527 484 3HG2 THR 65 3HG2 THR 65 -3.264 -10.397 -3.575 485 H ALA 66 H ALA 66 0.523 -8.459 -3.824 486 HA ALA 66 HA ALA 66 -1.042 -7.969 -6.051 487 1HB ALA 66 1HB ALA 66 1.934 -7.544 -5.800 488 2HB ALA 66 2HB ALA 66 0.863 -6.756 -6.959 489 3HB ALA 66 3HB ALA 66 0.683 -6.436 -5.234 490 H LYS 67 H LYS 67 2.201 -9.434 -6.331 491 HA LYS 67 HA LYS 67 1.237 -11.645 -7.871 492 1HB LYS 67 2HB LYS 67 1.164 -9.628 -9.450 493 2HB LYS 67 1HB LYS 67 2.919 -9.667 -9.399 494 1HG LYS 67 2HG LYS 67 2.853 -11.992 -10.235 495 2HG LYS 67 1HG LYS 67 1.100 -11.858 -10.377 496 1HD LYS 67 2HD LYS 67 2.940 -9.904 -11.727 497 2HD LYS 67 1HD LYS 67 2.522 -11.445 -12.477 498 1HE LYS 67 2HE LYS 67 1.015 -9.816 -13.330 499 2HE LYS 67 1HE LYS 67 0.110 -10.823 -12.201 500 1HZ LYS 67 1HZ LYS 67 0.218 -9.127 -10.559 501 2HZ LYS 67 2HZ LYS 67 -0.304 -8.395 -11.990 502 3HZ LYS 67 3HZ LYS 67 1.296 -8.201 -11.477 503 H ILE 68 H ILE 68 3.131 -10.792 -5.626 504 HA ILE 68 HA ILE 68 5.744 -11.547 -6.520 505 HB ILE 68 HB ILE 68 4.678 -11.407 -3.694 506 1HG1 ILE 68 2HG1 ILE 68 6.068 -9.352 -5.427 507 2HG1 ILE 68 1HG1 ILE 68 4.439 -9.256 -4.768 508 1HG2 ILE 68 1HG2 ILE 68 7.515 -11.414 -4.723 509 2HG2 ILE 68 2HG2 ILE 68 6.717 -12.744 -3.886 510 3HG2 ILE 68 3HG2 ILE 68 7.028 -11.230 -3.040 511 1HD1 ILE 68 1HD1 ILE 68 7.026 -9.122 -3.242 512 2HD1 ILE 68 2HD1 ILE 68 5.433 -9.199 -2.492 513 3HD1 ILE 68 3HD1 ILE 68 5.864 -7.821 -3.505 514 H SER 69 H SER 69 2.933 -13.228 -5.545 515 HA SER 69 HA SER 69 2.448 -15.413 -5.130 516 1HB SER 69 2HB SER 69 4.856 -15.818 -6.919 517 2HB SER 69 1HB SER 69 3.657 -17.052 -6.531 518 HG SER 69 HG SER 69 3.354 -15.854 -8.561 519 HA PRO 70 HA PRO 70 5.696 -15.856 -1.835 520 1HB PRO 70 2HB PRO 70 3.988 -15.900 0.261 521 2HB PRO 70 1HB PRO 70 4.599 -14.396 -0.438 522 1HG PRO 70 2HG PRO 70 1.966 -15.752 -0.865 523 2HG PRO 70 1HG PRO 70 2.313 -14.030 -0.633 524 1HD PRO 70 2HD PRO 70 1.857 -15.134 -3.076 525 2HD PRO 70 1HD PRO 70 2.906 -13.724 -2.831 526 H GLN 71 H GLN 71 2.482 -17.313 -1.271 527 HA GLN 71 HA GLN 71 3.810 -19.909 -0.917 528 1HB GLN 71 2HB GLN 71 1.772 -20.575 0.307 529 2HB GLN 71 1HB GLN 71 2.553 -19.173 1.023 530 1HG GLN 71 2HG GLN 71 0.919 -17.711 -0.051 531 2HG GLN 71 1HG GLN 71 0.135 -19.118 -0.768 532 1HE2 GLN 71 1HE2 GLN 71 0.551 -20.752 1.620 533 2HE2 GLN 71 2HE2 GLN 71 -0.600 -20.198 2.782 534 H GLN 72 H GLN 72 1.903 -18.180 -3.088 535 HA GLN 72 HA GLN 72 0.167 -20.121 -4.103 536 1HB GLN 72 2HB GLN 72 1.430 -17.658 -5.233 537 2HB GLN 72 1HB GLN 72 0.561 -18.741 -6.312 538 1HG GLN 72 2HG GLN 72 -0.874 -16.948 -5.549 539 2HG GLN 72 1HG GLN 72 -1.445 -18.504 -4.949 540 1HE2 GLN 72 1HE2 GLN 72 -2.581 -17.588 -3.260 541 2HE2 GLN 72 2HE2 GLN 72 -1.803 -16.896 -1.882 542 H ARG 73 H ARG 73 3.493 -19.317 -5.067 543 HA ARG 73 HA ARG 73 4.002 -22.028 -5.840 544 1HB ARG 73 2HB ARG 73 2.793 -21.234 -7.833 545 2HB ARG 73 1HB ARG 73 3.946 -19.918 -8.004 546 1HG ARG 73 2HG ARG 73 5.736 -21.507 -8.408 547 2HG ARG 73 1HG ARG 73 4.615 -22.850 -8.175 548 1HD ARG 73 2HD ARG 73 4.434 -20.747 -10.330 549 2HD ARG 73 1HD ARG 73 4.999 -22.402 -10.549 550 HE ARG 73 HE ARG 73 2.390 -22.347 -9.432 551 1HH1 ARG 73 1HH1 ARG 73 4.133 -21.937 -12.421 552 2HH1 ARG 73 2HH1 ARG 73 2.791 -22.397 -13.414 553 1HH2 ARG 73 1HH2 ARG 73 0.619 -22.955 -10.733 554 2HH2 ARG 73 2HH2 ARG 73 0.794 -22.975 -12.455 555 H ARG 74 H ARG 74 5.838 -22.137 -4.692 556 HA ARG 74 HA ARG 74 8.181 -20.852 -5.674 557 1HB ARG 74 2HB ARG 74 7.255 -18.984 -4.368 558 2HB ARG 74 1HB ARG 74 7.196 -20.008 -2.940 559 1HG ARG 74 2HG ARG 74 9.109 -18.656 -2.712 560 2HG ARG 74 1HG ARG 74 9.693 -20.259 -3.158 561 1HD ARG 74 2HD ARG 74 9.249 -18.038 -5.144 562 2HD ARG 74 1HD ARG 74 10.794 -18.331 -4.346 563 HE ARG 74 HE ARG 74 10.038 -20.734 -5.482 564 1HH1 ARG 74 1HH1 ARG 74 10.764 -17.506 -6.579 565 2HH1 ARG 74 2HH1 ARG 74 11.354 -18.025 -8.122 566 1HH2 ARG 74 1HH2 ARG 74 10.813 -21.425 -7.511 567 2HH2 ARG 74 2HH2 ARG 74 11.382 -20.252 -8.652 568 H GLY 75 H GLY 75 6.883 -22.238 -2.650 569 1HA GLY 75 1HA GLY 75 7.423 -24.445 -1.912 570 2HA GLY 75 2HA GLY 75 8.905 -24.362 -2.854 571 H GLU 76 H GLU 76 7.618 -21.986 -0.570 572 HA GLU 76 HA GLU 76 9.973 -22.468 1.132 573 1HB GLU 76 2HB GLU 76 8.646 -19.831 0.483 574 2HB GLU 76 1HB GLU 76 9.922 -20.040 1.674 575 1HG GLU 76 2HG GLU 76 10.178 -20.620 -1.267 576 2HG GLU 76 1HG GLU 76 10.754 -19.164 -0.456 577 HA PRO 77 HA PRO 77 7.149 -23.002 4.485 578 1HB PRO 77 2HB PRO 77 8.642 -22.172 6.593 579 2HB PRO 77 1HB PRO 77 8.938 -23.692 5.750 580 1HG PRO 77 2HG PRO 77 10.345 -21.070 5.475 581 2HG PRO 77 1HG PRO 77 11.025 -22.708 5.518 582 1HD PRO 77 2HD PRO 77 10.659 -21.312 3.212 583 2HD PRO 77 1HD PRO 77 10.582 -23.083 3.294 584 H VAL 78 H VAL 78 8.838 -20.319 5.949 585 HA VAL 78 HA VAL 78 6.324 -18.872 6.187 586 HB VAL 78 HB VAL 78 9.017 -18.222 7.396 587 1HG1 VAL 78 1HG1 VAL 78 7.723 -16.804 8.926 588 2HG1 VAL 78 2HG1 VAL 78 7.562 -16.281 7.250 589 3HG1 VAL 78 3HG1 VAL 78 6.256 -17.180 8.022 590 1HG2 VAL 78 1HG2 VAL 78 6.651 -19.663 8.593 591 2HG2 VAL 78 2HG2 VAL 78 8.210 -20.379 8.179 592 3HG2 VAL 78 3HG2 VAL 78 8.104 -19.175 9.464 593 HA PRO 79 HA PRO 79 7.452 -16.146 2.829 594 1HB PRO 79 2HB PRO 79 5.514 -14.292 3.162 595 2HB PRO 79 1HB PRO 79 5.189 -15.893 2.487 596 1HG PRO 79 2HG PRO 79 4.764 -14.892 5.277 597 2HG PRO 79 1HG PRO 79 3.691 -15.881 4.269 598 1HD PRO 79 2HD PRO 79 5.264 -16.938 6.208 599 2HD PRO 79 1HD PRO 79 4.843 -17.822 4.727 600 H GLN 80 H GLN 80 9.463 -15.519 3.852 601 HA GLN 80 HA GLN 80 9.365 -13.133 5.539 602 1HB GLN 80 2HB GLN 80 11.633 -14.977 4.788 603 2HB GLN 80 1HB GLN 80 11.828 -13.536 5.774 604 1HG GLN 80 2HG GLN 80 10.105 -15.909 6.454 605 2HG GLN 80 1HG GLN 80 11.696 -15.558 7.129 606 1HE2 GLN 80 1HE2 GLN 80 8.341 -14.663 7.067 607 2HE2 GLN 80 2HE2 GLN 80 8.375 -13.645 8.462 608 H GLU 81 H GLU 81 10.296 -14.175 2.348 609 HA GLU 81 HA GLU 81 12.006 -12.209 1.503 610 1HB GLU 81 2HB GLU 81 11.138 -12.599 -0.767 611 2HB GLU 81 1HB GLU 81 11.402 -14.092 0.110 612 1HG GLU 81 2HG GLU 81 9.002 -14.225 0.591 613 2HG GLU 81 1HG GLU 81 8.753 -12.761 -0.357 614 H LEU 82 H LEU 82 8.462 -12.084 1.272 615 HA LEU 82 HA LEU 82 8.156 -9.569 0.217 616 1HB LEU 82 2HB LEU 82 6.050 -9.623 1.904 617 2HB LEU 82 1HB LEU 82 6.112 -10.469 0.371 618 HG LEU 82 HG LEU 82 7.111 -11.929 2.754 619 1HD1 LEU 82 1HD1 LEU 82 4.184 -11.455 2.203 620 2HD1 LEU 82 2HD1 LEU 82 5.083 -10.895 3.613 621 3HD1 LEU 82 3HD1 LEU 82 4.839 -12.620 3.352 622 1HD2 LEU 82 1HD2 LEU 82 7.015 -12.727 0.316 623 2HD2 LEU 82 2HD2 LEU 82 5.278 -12.878 0.578 624 3HD2 LEU 82 3HD2 LEU 82 6.404 -13.809 1.565 625 H LEU 83 H LEU 83 8.135 -10.325 3.712 626 HA LEU 83 HA LEU 83 7.987 -7.720 4.651 627 1HB LEU 83 2HB LEU 83 9.229 -10.197 5.815 628 2HB LEU 83 1HB LEU 83 9.238 -8.673 6.683 629 HG LEU 83 HG LEU 83 6.719 -10.032 5.730 630 1HD1 LEU 83 1HD1 LEU 83 7.857 -11.456 7.344 631 2HD1 LEU 83 2HD1 LEU 83 6.413 -10.733 8.053 632 3HD1 LEU 83 3HD1 LEU 83 8.006 -10.094 8.455 633 1HD2 LEU 83 1HD2 LEU 83 6.521 -7.623 6.075 634 2HD2 LEU 83 2HD2 LEU 83 7.193 -7.793 7.697 635 3HD2 LEU 83 3HD2 LEU 83 5.632 -8.514 7.310 636 H ASN 84 H ASN 84 10.767 -9.530 3.517 637 HA ASN 84 HA ASN 84 12.768 -7.783 4.477 638 1HB ASN 84 2HB ASN 84 13.259 -10.070 3.730 639 2HB ASN 84 1HB ASN 84 12.832 -9.629 2.080 640 1HD2 ASN 84 1HD2 ASN 84 14.563 -7.523 4.264 641 2HD2 ASN 84 2HD2 ASN 84 16.071 -7.571 3.423 642 H ARG 85 H ARG 85 11.214 -8.029 1.274 643 HA ARG 85 HA ARG 85 12.592 -5.763 0.229 644 1HB ARG 85 2HB ARG 85 11.043 -5.942 -1.668 645 2HB ARG 85 1HB ARG 85 11.749 -7.498 -1.256 646 1HG ARG 85 2HG ARG 85 9.699 -8.130 -0.098 647 2HG ARG 85 1HG ARG 85 8.991 -6.563 -0.493 648 1HD ARG 85 2HD ARG 85 8.220 -8.294 -2.032 649 2HD ARG 85 1HD ARG 85 9.172 -7.069 -2.871 650 HE ARG 85 HE ARG 85 10.776 -9.274 -2.050 651 1HH1 ARG 85 1HH1 ARG 85 8.499 -8.226 -4.470 652 2HH1 ARG 85 2HH1 ARG 85 9.098 -9.305 -5.685 653 1HH2 ARG 85 1HH2 ARG 85 11.570 -10.699 -3.644 654 2HH2 ARG 85 2HH2 ARG 85 10.842 -10.711 -5.215 655 H VAL 86 H VAL 86 9.819 -6.152 2.204 656 HA VAL 86 HA VAL 86 8.484 -3.733 1.513 657 HB VAL 86 HB VAL 86 8.307 -5.557 3.906 658 1HG1 VAL 86 1HG1 VAL 86 6.777 -3.001 3.430 659 2HG1 VAL 86 2HG1 VAL 86 6.351 -4.219 4.632 660 3HG1 VAL 86 3HG1 VAL 86 7.876 -3.345 4.765 661 1HG2 VAL 86 1HG2 VAL 86 6.243 -4.859 1.826 662 2HG2 VAL 86 2HG2 VAL 86 7.344 -6.229 1.690 663 3HG2 VAL 86 3HG2 VAL 86 6.181 -6.162 3.012 664 H LEU 87 H LEU 87 10.318 -4.586 4.465 665 HA LEU 87 HA LEU 87 10.523 -1.945 5.399 666 1HB LEU 87 2HB LEU 87 11.726 -4.543 6.067 667 2HB LEU 87 1HB LEU 87 12.725 -3.157 6.467 668 HG LEU 87 HG LEU 87 10.860 -2.221 7.796 669 1HD1 LEU 87 1HD1 LEU 87 8.947 -3.649 8.347 670 2HD1 LEU 87 2HD1 LEU 87 9.510 -4.844 7.177 671 3HD1 LEU 87 3HD1 LEU 87 8.997 -3.248 6.629 672 1HD2 LEU 87 1HD2 LEU 87 11.681 -5.023 8.549 673 2HD2 LEU 87 2HD2 LEU 87 11.027 -3.809 9.648 674 3HD2 LEU 87 3HD2 LEU 87 12.591 -3.548 8.876 675 H ASN 88 H ASN 88 12.305 -3.709 3.023 676 HA ASN 88 HA ASN 88 14.656 -2.128 2.986 677 1HB ASN 88 2HB ASN 88 14.378 -4.395 1.918 678 2HB ASN 88 1HB ASN 88 13.429 -3.617 0.658 679 1HD2 ASN 88 1HD2 ASN 88 16.591 -4.007 2.038 680 2HD2 ASN 88 2HD2 ASN 88 17.472 -3.318 0.722 681 H ALA 89 H ALA 89 11.687 -2.074 1.059 682 HA ALA 89 HA ALA 89 12.325 0.128 -0.553 683 1HB ALA 89 1HB ALA 89 10.487 -1.411 -1.047 684 2HB ALA 89 2HB ALA 89 9.596 -0.791 0.344 685 3HB ALA 89 3HB ALA 89 9.939 0.266 -1.025 686 H HIS 90 H HIS 90 10.678 -0.058 2.585 687 HA HIS 90 HA HIS 90 9.991 2.655 2.787 688 1HB HIS 90 2HB HIS 90 8.996 1.044 4.282 689 2HB HIS 90 1HB HIS 90 10.570 0.606 4.934 690 HD1 HIS 90 HD1 HIS 90 8.090 3.453 4.944 691 HD2 HIS 90 HD2 HIS 90 11.447 2.161 7.025 692 HE1 HIS 90 HE1 HIS 90 8.264 4.966 6.946 693 HE2 HIS 90 HE2 HIS 90 10.255 4.111 8.233 694 H GLY 91 H GLY 91 12.750 0.905 4.225 695 1HA GLY 91 1HA GLY 91 14.095 3.088 5.299 696 2HA GLY 91 2HA GLY 91 14.876 1.610 4.750 697 H TYR 92 H TYR 92 14.024 1.890 2.009 698 HA TYR 92 HA TYR 92 16.176 3.376 0.966 699 1HB TYR 92 2HB TYR 92 15.388 1.627 -0.390 700 2HB TYR 92 1HB TYR 92 13.710 2.130 -0.227 701 HD1 TYR 92 HD1 TYR 92 12.751 3.705 -1.713 702 HD2 TYR 92 HD2 TYR 92 16.917 2.887 -1.899 703 HE1 TYR 92 HE1 TYR 92 12.875 4.892 -3.858 704 HE2 TYR 92 HE2 TYR 92 17.060 4.075 -4.049 705 HH TYR 92 HH TYR 92 14.562 6.045 -5.229 706 H TRP 93 H TRP 93 12.684 4.136 1.099 707 HA TRP 93 HA TRP 93 12.798 6.607 -0.181 708 1HB TRP 93 2HB TRP 93 11.007 5.940 2.164 709 2HB TRP 93 1HB TRP 93 10.722 7.168 0.939 710 HD1 TRP 93 HD1 TRP 93 11.470 5.158 -1.563 711 HE1 TRP 93 HE1 TRP 93 9.688 3.432 -2.250 712 HE3 TRP 93 HE3 TRP 93 8.721 5.082 2.743 713 HZ2 TRP 93 HZ2 TRP 93 7.411 2.205 -1.109 714 HZ3 TRP 93 HZ3 TRP 93 6.754 3.610 2.865 715 HH2 TRP 93 HH2 TRP 93 6.114 2.202 0.976 716 H THR 94 H THR 94 12.829 5.984 3.321 717 HA THR 94 HA THR 94 13.348 8.598 4.142 718 HB THR 94 HB THR 94 14.123 7.629 6.269 719 HG1 THR 94 HG1 THR 94 13.856 5.126 4.925 720 1HG2 THR 94 1HG2 THR 94 11.720 7.828 5.859 721 2HG2 THR 94 2HG2 THR 94 12.074 6.396 6.826 722 3HG2 THR 94 3HG2 THR 94 11.709 6.231 5.109 723 H GLN 95 H GLN 95 15.542 6.071 3.086 724 HA GLN 95 HA GLN 95 17.874 7.662 3.796 725 1HB GLN 95 2HB GLN 95 17.562 4.910 2.598 726 2HB GLN 95 1HB GLN 95 19.125 5.693 2.804 727 1HG GLN 95 2HG GLN 95 18.744 5.816 5.213 728 2HG GLN 95 1HG GLN 95 17.180 5.029 5.006 729 1HE2 GLN 95 1HE2 GLN 95 19.517 4.188 6.542 730 2HE2 GLN 95 2HE2 GLN 95 19.948 2.627 5.939 731 H GLN 96 H GLN 96 15.745 7.502 1.248 732 HA GLN 96 HA GLN 96 17.701 7.973 -0.834 733 1HB GLN 96 2HB GLN 96 15.733 6.680 -1.422 734 2HB GLN 96 1HB GLN 96 14.680 7.989 -0.910 735 1HG GLN 96 2HG GLN 96 14.912 7.836 -3.351 736 2HG GLN 96 1HG GLN 96 15.455 9.384 -2.706 737 1HE2 GLN 96 1HE2 GLN 96 16.416 6.400 -4.193 738 2HE2 GLN 96 2HE2 GLN 96 18.025 6.879 -4.597 739 H GLN 97 H GLN 97 15.620 9.740 1.285 740 HA GLN 97 HA GLN 97 15.418 11.953 1.759 741 1HB GLN 97 2HB GLN 97 17.947 11.872 1.375 742 2HB GLN 97 1HB GLN 97 17.617 12.513 -0.229 743 1HG GLN 97 2HG GLN 97 18.188 14.357 1.111 744 2HG GLN 97 1HG GLN 97 16.439 14.429 0.904 745 1HE2 GLN 97 1HE2 GLN 97 18.130 15.591 2.974 746 2HE2 GLN 97 2HE2 GLN 97 17.543 14.974 4.477 747 H MET 98 H MET 98 13.954 10.666 -0.383 748 HA MET 98 HA MET 98 12.450 11.165 -2.013 749 1HB MET 98 2HB MET 98 11.948 12.965 -0.263 750 2HB MET 98 1HB MET 98 12.844 14.067 -1.298 751 1HG MET 98 2HG MET 98 11.280 13.629 -3.122 752 2HG MET 98 1HG MET 98 10.381 12.522 -2.084 753 1HE MET 98 1HE MET 98 8.980 14.943 0.659 754 2HE MET 98 2HE MET 98 10.486 14.025 0.719 755 3HE MET 98 3HE MET 98 9.025 13.282 0.068 756 H GLN 99 H GLN 99 15.397 11.256 -2.544 757 HA GLN 99 HA GLN 99 16.826 11.691 -4.259 758 1HB GLN 99 2HB GLN 99 14.244 12.062 -5.789 759 2HB GLN 99 1HB GLN 99 15.833 11.852 -6.514 760 1HG GLN 99 2HG GLN 99 15.994 9.628 -5.529 761 2HG GLN 99 1HG GLN 99 14.405 9.839 -4.791 762 1HE2 GLN 99 1HE2 GLN 99 15.338 7.838 -6.704 763 2HE2 GLN 99 2HE2 GLN 99 14.291 7.964 -8.074 764 H GLN 100 H GLN 100 17.094 13.719 -2.822 765 HA GLN 100 HA GLN 100 17.594 15.933 -2.689 766 1HB GLN 100 2HB GLN 100 17.435 15.671 -5.693 767 2HB GLN 100 1HB GLN 100 17.960 17.137 -4.878 768 1HG GLN 100 2HG GLN 100 19.884 15.908 -5.576 769 2HG GLN 100 1HG GLN 100 19.781 15.844 -3.817 770 1HE2 GLN 100 1HE2 GLN 100 19.476 14.050 -6.778 771 2HE2 GLN 100 2HE2 GLN 100 19.489 12.476 -6.065 772 H LEU 101 H LEU 101 14.843 15.110 -2.489 773 HA LEU 101 HA LEU 101 12.769 16.009 -2.282 774 1HB LEU 101 2HB LEU 101 14.359 18.542 -2.635 775 2HB LEU 101 1HB LEU 101 12.635 18.543 -2.322 776 HG LEU 101 HG LEU 101 13.141 17.238 -0.206 777 1HD1 LEU 101 1HD1 LEU 101 15.422 17.461 0.680 778 2HD1 LEU 101 2HD1 LEU 101 15.946 18.113 -0.872 779 3HD1 LEU 101 3HD1 LEU 101 15.361 16.452 -0.765 780 1HD2 LEU 101 1HD2 LEU 101 12.568 19.603 -0.189 781 2HD2 LEU 101 2HD2 LEU 101 14.257 20.027 -0.476 782 3HD2 LEU 101 3HD2 LEU 101 13.788 19.245 1.034 783 H GLN 102 H GLN 102 13.987 15.377 -4.993 784 HA GLN 102 HA GLN 102 12.447 17.113 -6.753 785 1HB GLN 102 2HB GLN 102 14.726 16.449 -7.411 786 2HB GLN 102 1HB GLN 102 14.237 14.761 -7.397 787 1HG GLN 102 2HG GLN 102 14.114 15.245 -9.627 788 2HG GLN 102 1HG GLN 102 12.454 15.548 -9.121 789 1HE2 GLN 102 1HE2 GLN 102 13.205 18.059 -7.773 790 2HE2 GLN 102 2HE2 GLN 102 13.445 19.210 -9.037 791 H GLN 103 H GLN 103 10.339 16.690 -6.867 792 HA GLN 103 HA GLN 103 9.406 13.921 -6.725 793 1HB GLN 103 2HB GLN 103 7.857 16.517 -6.669 794 2HB GLN 103 1HB GLN 103 7.161 14.914 -6.476 795 1HG GLN 103 2HG GLN 103 8.463 14.590 -4.439 796 2HG GLN 103 1HG GLN 103 9.170 16.193 -4.635 797 1HE2 GLN 103 1HE2 GLN 103 7.902 18.011 -4.260 798 2HE2 GLN 103 2HE2 GLN 103 6.404 17.927 -3.402 799 H ASN 104 H ASN 104 10.306 16.102 -9.048 800 HA ASN 104 HA ASN 104 8.276 15.390 -10.997 801 1HB ASN 104 2HB ASN 104 9.281 17.688 -10.884 802 2HB ASN 104 1HB ASN 104 10.807 16.990 -11.420 803 1HD2 ASN 104 1HD2 ASN 104 9.113 18.998 -12.681 804 2HD2 ASN 104 2HD2 ASN 104 8.725 18.380 -14.248 805 H VAL 105 H VAL 105 8.697 13.099 -10.962 806 HA VAL 105 HA VAL 105 11.169 12.316 -12.359 807 HB VAL 105 HB VAL 105 9.298 10.548 -10.775 808 1HG1 VAL 105 1HG1 VAL 105 12.027 10.018 -11.947 809 2HG1 VAL 105 2HG1 VAL 105 11.118 8.906 -10.922 810 3HG1 VAL 105 3HG1 VAL 105 10.499 9.346 -12.515 811 1HG2 VAL 105 1HG2 VAL 105 11.059 10.525 -9.068 812 2HG2 VAL 105 2HG2 VAL 105 11.973 11.709 -10.002 813 3HG2 VAL 105 3HG2 VAL 105 10.408 12.145 -9.314 Start of MODEL 7 1 H GLN 9 H GLN 9 -28.100 4.249 4.128 2 HA GLN 9 HA GLN 9 -27.495 3.782 6.972 3 1HB GLN 9 2HB GLN 9 -29.990 3.124 5.397 4 2HB GLN 9 1HB GLN 9 -29.726 2.698 7.082 5 1HG GLN 9 2HG GLN 9 -29.832 5.496 5.977 6 2HG GLN 9 1HG GLN 9 -31.130 4.679 6.844 7 1HE2 GLN 9 1HE2 GLN 9 -28.009 6.180 7.097 8 2HE2 GLN 9 2HE2 GLN 9 -27.985 6.313 8.819 9 H ARG 10 H ARG 10 -28.571 1.990 4.081 10 HA ARG 10 HA ARG 10 -26.898 -0.262 4.978 11 1HB ARG 10 2HB ARG 10 -28.473 -1.757 3.798 12 2HB ARG 10 1HB ARG 10 -29.243 -0.867 5.105 13 1HG ARG 10 2HG ARG 10 -29.371 0.165 2.303 14 2HG ARG 10 1HG ARG 10 -30.460 -1.115 2.839 15 1HD ARG 10 2HD ARG 10 -31.210 0.332 4.686 16 2HD ARG 10 1HD ARG 10 -30.159 1.615 4.088 17 HE ARG 10 HE ARG 10 -31.753 0.937 1.960 18 1HH1 ARG 10 1HH1 ARG 10 -32.273 2.061 5.218 19 2HH1 ARG 10 2HH1 ARG 10 -33.743 2.893 4.833 20 1HH2 ARG 10 1HH2 ARG 10 -33.687 2.030 1.445 21 2HH2 ARG 10 2HH2 ARG 10 -34.546 2.876 2.689 22 H ARG 11 H ARG 11 -26.994 2.165 2.834 23 HA ARG 11 HA ARG 11 -25.680 0.584 0.720 24 1HB ARG 11 2HB ARG 11 -27.787 1.614 -0.034 25 2HB ARG 11 1HB ARG 11 -27.178 3.197 0.435 26 1HG ARG 11 2HG ARG 11 -25.370 2.965 -1.217 27 2HG ARG 11 1HG ARG 11 -26.047 1.413 -1.712 28 1HD ARG 11 2HD ARG 11 -27.424 4.092 -1.871 29 2HD ARG 11 1HD ARG 11 -26.742 3.192 -3.225 30 HE ARG 11 HE ARG 11 -28.542 1.485 -2.056 31 1HH1 ARG 11 1HH1 ARG 11 -28.669 4.672 -3.458 32 2HH1 ARG 11 2HH1 ARG 11 -30.308 4.513 -3.993 33 1HH2 ARG 11 1HH2 ARG 11 -30.700 1.265 -2.757 34 2HH2 ARG 11 2HH2 ARG 11 -31.463 2.577 -3.594 35 H ILE 12 H ILE 12 -23.572 0.761 1.317 36 HA ILE 12 HA ILE 12 -22.479 3.492 1.496 37 HB ILE 12 HB ILE 12 -21.475 1.052 2.971 38 1HG1 ILE 12 2HG1 ILE 12 -22.043 2.668 4.957 39 2HG1 ILE 12 1HG1 ILE 12 -23.121 3.422 3.788 40 1HG2 ILE 12 1HG2 ILE 12 -20.482 3.898 2.976 41 2HG2 ILE 12 2HG2 ILE 12 -19.645 2.493 2.313 42 3HG2 ILE 12 3HG2 ILE 12 -19.916 2.621 4.051 43 1HD1 ILE 12 1HD1 ILE 12 -23.187 0.532 4.622 44 2HD1 ILE 12 2HD1 ILE 12 -24.287 1.311 3.485 45 3HD1 ILE 12 3HD1 ILE 12 -24.282 1.797 5.180 46 H ARG 13 H ARG 13 -20.770 3.966 0.230 47 HA ARG 13 HA ARG 13 -19.359 1.788 -1.131 48 1HB ARG 13 2HB ARG 13 -20.546 4.204 -2.511 49 2HB ARG 13 1HB ARG 13 -19.481 3.029 -3.272 50 1HG ARG 13 2HG ARG 13 -21.141 1.276 -2.889 51 2HG ARG 13 1HG ARG 13 -22.209 2.458 -2.130 52 1HD ARG 13 2HD ARG 13 -22.853 2.059 -4.447 53 2HD ARG 13 1HD ARG 13 -22.303 3.719 -4.221 54 HE ARG 13 HE ARG 13 -20.104 2.236 -5.038 55 1HH1 ARG 13 1HH1 ARG 13 -23.213 3.169 -6.304 56 2HH1 ARG 13 2HH1 ARG 13 -22.688 3.157 -7.955 57 1HH2 ARG 13 1HH2 ARG 13 -19.405 2.216 -7.207 58 2HH2 ARG 13 2HH2 ARG 13 -20.524 2.615 -8.469 59 H ARG 14 H ARG 14 -17.598 3.056 -2.637 60 HA ARG 14 HA ARG 14 -16.437 5.304 -1.237 61 1HB ARG 14 2HB ARG 14 -14.190 3.908 -1.202 62 2HB ARG 14 1HB ARG 14 -15.324 3.854 0.139 63 1HG ARG 14 2HG ARG 14 -14.640 1.630 -0.301 64 2HG ARG 14 1HG ARG 14 -16.300 1.788 -0.879 65 1HD ARG 14 2HD ARG 14 -15.509 2.034 -3.158 66 2HD ARG 14 1HD ARG 14 -13.835 1.977 -2.609 67 HE ARG 14 HE ARG 14 -15.037 -0.350 -1.720 68 1HH1 ARG 14 1HH1 ARG 14 -14.354 1.175 -4.777 69 2HH1 ARG 14 2HH1 ARG 14 -14.210 -0.320 -5.639 70 1HH2 ARG 14 1HH2 ARG 14 -14.850 -2.325 -2.846 71 2HH2 ARG 14 2HH2 ARG 14 -14.493 -2.311 -4.540 72 HA PRO 15 HA PRO 15 -14.984 6.157 -5.321 73 1HB PRO 15 2HB PRO 15 -13.021 7.931 -4.833 74 2HB PRO 15 1HB PRO 15 -14.724 8.317 -4.557 75 1HG PRO 15 2HG PRO 15 -12.618 7.519 -2.591 76 2HG PRO 15 1HG PRO 15 -13.878 8.758 -2.442 77 1HD PRO 15 2HD PRO 15 -14.056 6.253 -1.339 78 2HD PRO 15 1HD PRO 15 -15.461 7.239 -1.788 79 H PHE 16 H PHE 16 -12.213 5.829 -3.084 80 HA PHE 16 HA PHE 16 -10.733 4.447 -5.202 81 1HB PHE 16 2HB PHE 16 -9.868 5.788 -2.648 82 2HB PHE 16 1HB PHE 16 -8.785 4.757 -3.576 83 HD1 PHE 16 HD1 PHE 16 -10.632 7.925 -3.546 84 HD2 PHE 16 HD2 PHE 16 -7.863 5.482 -5.661 85 HE1 PHE 16 HE1 PHE 16 -10.046 9.838 -4.978 86 HE2 PHE 16 HE2 PHE 16 -7.271 7.391 -7.097 87 HZ PHE 16 HZ PHE 16 -8.362 9.572 -6.756 88 H SER 17 H SER 17 -9.344 2.611 -4.534 89 HA SER 17 HA SER 17 -10.263 1.097 -2.228 90 1HB SER 17 2HB SER 17 -11.840 0.419 -3.979 91 2HB SER 17 1HB SER 17 -10.497 0.015 -5.048 92 HG SER 17 HG SER 17 -9.883 -1.593 -3.557 93 H VAL 18 H VAL 18 -8.938 -0.877 -1.888 94 HA VAL 18 HA VAL 18 -6.231 -0.353 -1.907 95 HB VAL 18 HB VAL 18 -7.254 -2.075 -0.489 96 1HG1 VAL 18 1HG1 VAL 18 -7.437 -3.694 -3.028 97 2HG1 VAL 18 2HG1 VAL 18 -7.762 -4.294 -1.402 98 3HG1 VAL 18 3HG1 VAL 18 -8.792 -3.046 -2.104 99 1HG2 VAL 18 1HG2 VAL 18 -5.470 -3.753 -0.662 100 2HG2 VAL 18 2HG2 VAL 18 -5.044 -3.129 -2.256 101 3HG2 VAL 18 3HG2 VAL 18 -4.843 -2.113 -0.829 102 H ALA 19 H ALA 19 -8.204 -1.839 -4.381 103 HA ALA 19 HA ALA 19 -6.207 -2.983 -5.971 104 1HB ALA 19 1HB ALA 19 -7.809 -3.074 -7.702 105 2HB ALA 19 2HB ALA 19 -8.724 -3.225 -6.204 106 3HB ALA 19 3HB ALA 19 -8.691 -1.687 -7.064 107 H GLU 20 H GLU 20 -7.667 0.248 -6.094 108 HA GLU 20 HA GLU 20 -6.068 1.229 -8.203 109 1HB GLU 20 2HB GLU 20 -7.610 2.618 -6.009 110 2HB GLU 20 1HB GLU 20 -6.772 3.492 -7.282 111 1HG GLU 20 2HG GLU 20 -8.144 2.369 -8.961 112 2HG GLU 20 1HG GLU 20 -8.982 1.490 -7.684 113 H VAL 21 H VAL 21 -5.666 1.133 -4.720 114 HA VAL 21 HA VAL 21 -3.503 2.876 -4.445 115 HB VAL 21 HB VAL 21 -4.056 0.368 -2.849 116 1HG1 VAL 21 1HG1 VAL 21 -2.774 1.483 -1.072 117 2HG1 VAL 21 2HG1 VAL 21 -1.790 1.174 -2.502 118 3HG1 VAL 21 3HG1 VAL 21 -2.397 2.799 -2.183 119 1HG2 VAL 21 1HG2 VAL 21 -4.921 3.217 -2.371 120 2HG2 VAL 21 2HG2 VAL 21 -5.962 1.888 -2.875 121 3HG2 VAL 21 3HG2 VAL 21 -5.203 1.857 -1.285 122 H GLU 22 H GLU 22 -3.664 -0.452 -5.528 123 HA GLU 22 HA GLU 22 -1.054 -1.289 -5.306 124 1HB GLU 22 2HB GLU 22 -2.933 -2.656 -6.194 125 2HB GLU 22 1HB GLU 22 -2.850 -1.749 -7.695 126 1HG GLU 22 2HG GLU 22 -0.577 -2.558 -8.064 127 2HG GLU 22 1HG GLU 22 -0.659 -3.469 -6.556 128 H ALA 23 H ALA 23 -2.454 0.367 -8.137 129 HA ALA 23 HA ALA 23 -0.036 0.763 -9.497 130 1HB ALA 23 1HB ALA 23 -2.143 1.016 -10.639 131 2HB ALA 23 2HB ALA 23 -2.595 2.360 -9.590 132 3HB ALA 23 3HB ALA 23 -1.261 2.540 -10.728 133 H LEU 24 H LEU 24 -1.769 2.764 -7.157 134 HA LEU 24 HA LEU 24 -0.126 5.029 -7.260 135 1HB LEU 24 2HB LEU 24 -2.332 4.902 -6.119 136 2HB LEU 24 1HB LEU 24 -1.596 3.929 -4.860 137 HG LEU 24 HG LEU 24 -0.107 5.836 -4.300 138 1HD1 LEU 24 1HD1 LEU 24 -1.814 7.327 -6.288 139 2HD1 LEU 24 2HD1 LEU 24 -0.100 6.953 -6.461 140 3HD1 LEU 24 3HD1 LEU 24 -0.638 8.051 -5.192 141 1HD2 LEU 24 1HD2 LEU 24 -3.061 6.435 -4.232 142 2HD2 LEU 24 2HD2 LEU 24 -1.834 7.191 -3.218 143 3HD2 LEU 24 3HD2 LEU 24 -2.170 5.467 -3.058 144 H VAL 25 H VAL 25 0.327 1.918 -5.815 145 HA VAL 25 HA VAL 25 2.452 2.685 -4.049 146 HB VAL 25 HB VAL 25 1.427 0.016 -5.000 147 1HG1 VAL 25 1HG1 VAL 25 3.762 -0.362 -4.782 148 2HG1 VAL 25 2HG1 VAL 25 3.840 0.574 -3.289 149 3HG1 VAL 25 3HG1 VAL 25 3.004 -0.980 -3.314 150 1HG2 VAL 25 1HG2 VAL 25 1.517 1.301 -2.272 151 2HG2 VAL 25 2HG2 VAL 25 0.105 1.226 -3.325 152 3HG2 VAL 25 3HG2 VAL 25 0.792 -0.258 -2.668 153 H GLN 26 H GLN 26 2.207 1.277 -7.277 154 HA GLN 26 HA GLN 26 4.969 0.794 -7.640 155 1HB GLN 26 2HB GLN 26 3.203 -0.239 -9.029 156 2HB GLN 26 1HB GLN 26 2.847 1.335 -9.728 157 1HG GLN 26 2HG GLN 26 5.096 1.425 -10.672 158 2HG GLN 26 1HG GLN 26 5.455 -0.150 -9.970 159 1HE2 GLN 26 1HE2 GLN 26 2.766 -1.165 -10.509 160 2HE2 GLN 26 2HE2 GLN 26 2.708 -1.484 -12.205 161 H ALA 27 H ALA 27 3.060 3.638 -7.726 162 HA ALA 27 HA ALA 27 4.974 5.167 -9.279 163 1HB ALA 27 1HB ALA 27 2.480 6.080 -7.855 164 2HB ALA 27 2HB ALA 27 3.435 7.025 -8.997 165 3HB ALA 27 3HB ALA 27 2.578 5.584 -9.544 166 H VAL 28 H VAL 28 3.972 4.854 -5.905 167 HA VAL 28 HA VAL 28 5.695 7.026 -5.062 168 HB VAL 28 HB VAL 28 4.926 6.534 -2.795 169 1HG1 VAL 28 1HG1 VAL 28 2.540 7.030 -3.135 170 2HG1 VAL 28 2HG1 VAL 28 3.583 8.005 -4.172 171 3HG1 VAL 28 3HG1 VAL 28 2.714 6.625 -4.844 172 1HG2 VAL 28 1HG2 VAL 28 3.457 4.238 -4.087 173 2HG2 VAL 28 2HG2 VAL 28 4.763 4.124 -2.908 174 3HG2 VAL 28 3HG2 VAL 28 3.205 4.799 -2.433 175 H GLU 29 H GLU 29 6.014 3.634 -5.480 176 HA GLU 29 HA GLU 29 7.813 2.990 -3.442 177 1HB GLU 29 2HB GLU 29 8.621 1.200 -5.041 178 2HB GLU 29 1HB GLU 29 6.902 1.200 -4.674 179 1HG GLU 29 2HG GLU 29 6.329 2.013 -6.771 180 2HG GLU 29 1HG GLU 29 7.958 2.591 -7.102 181 H LYS 30 H LYS 30 8.265 5.178 -5.959 182 HA LYS 30 HA LYS 30 11.184 4.836 -5.889 183 1HB LYS 30 2HB LYS 30 11.190 6.321 -7.894 184 2HB LYS 30 1HB LYS 30 10.336 4.801 -8.129 185 1HG LYS 30 2HG LYS 30 8.213 5.889 -7.924 186 2HG LYS 30 1HG LYS 30 8.986 7.409 -7.470 187 1HD LYS 30 2HD LYS 30 8.335 7.540 -9.780 188 2HD LYS 30 1HD LYS 30 10.095 7.438 -9.700 189 1HE LYS 30 2HE LYS 30 9.978 5.047 -10.201 190 2HE LYS 30 1HE LYS 30 8.220 5.142 -10.266 191 1HZ LYS 30 1HZ LYS 30 9.191 5.200 -12.474 192 2HZ LYS 30 2HZ LYS 30 10.095 6.572 -12.072 193 3HZ LYS 30 3HZ LYS 30 8.407 6.661 -12.136 194 H LEU 31 H LEU 31 8.677 7.362 -5.680 195 HA LEU 31 HA LEU 31 10.651 9.071 -4.312 196 1HB LEU 31 2HB LEU 31 9.026 10.939 -4.974 197 2HB LEU 31 1HB LEU 31 10.044 10.248 -6.221 198 HG LEU 31 HG LEU 31 8.045 8.772 -6.822 199 1HD1 LEU 31 1HD1 LEU 31 6.729 9.091 -4.816 200 2HD1 LEU 31 2HD1 LEU 31 5.846 9.691 -6.219 201 3HD1 LEU 31 3HD1 LEU 31 6.636 10.826 -5.123 202 1HD2 LEU 31 1HD2 LEU 31 7.030 10.533 -8.179 203 2HD2 LEU 31 2HD2 LEU 31 8.791 10.637 -8.195 204 3HD2 LEU 31 3HD2 LEU 31 7.850 11.755 -7.207 205 H GLY 32 H GLY 32 9.091 7.017 -3.021 206 1HA GLY 32 1HA GLY 32 6.939 8.342 -1.617 207 2HA GLY 32 2HA GLY 32 7.518 6.708 -1.337 208 H THR 33 H THR 33 6.986 7.753 0.897 209 HA THR 33 HA THR 33 9.553 8.343 2.113 210 HB THR 33 HB THR 33 7.216 10.227 2.499 211 HG1 THR 33 HG1 THR 33 8.141 11.425 1.017 212 1HG2 THR 33 1HG2 THR 33 8.539 9.929 4.535 213 2HG2 THR 33 2HG2 THR 33 8.793 11.536 3.853 214 3HG2 THR 33 3HG2 THR 33 10.015 10.282 3.638 215 H GLY 34 H GLY 34 6.067 7.870 2.539 216 1HA GLY 34 1HA GLY 34 6.506 5.890 4.564 217 2HA GLY 34 2HA GLY 34 5.890 7.395 5.232 218 H ARG 35 H ARG 35 4.936 6.604 2.034 219 HA ARG 35 HA ARG 35 2.849 6.377 1.142 220 1HB ARG 35 2HB ARG 35 1.885 4.236 1.489 221 2HB ARG 35 1HB ARG 35 3.622 4.038 1.644 222 1HG ARG 35 2HG ARG 35 3.491 3.799 3.982 223 2HG ARG 35 1HG ARG 35 1.828 4.392 4.024 224 1HD ARG 35 2HD ARG 35 2.791 1.801 2.822 225 2HD ARG 35 1HD ARG 35 1.851 1.989 4.302 226 HE ARG 35 HE ARG 35 0.743 2.888 1.736 227 1HH1 ARG 35 1HH1 ARG 35 0.623 0.805 4.525 228 2HH1 ARG 35 2HH1 ARG 35 -0.981 0.238 4.193 229 1HH2 ARG 35 1HH2 ARG 35 -1.368 2.149 1.291 230 2HH2 ARG 35 2HH2 ARG 35 -2.112 1.002 2.356 231 H TRP 36 H TRP 36 3.022 8.091 3.553 232 HA TRP 36 HA TRP 36 0.806 7.767 5.219 233 1HB TRP 36 2HB TRP 36 1.035 10.368 5.397 234 2HB TRP 36 1HB TRP 36 2.315 9.330 6.011 235 HD1 TRP 36 HD1 TRP 36 4.621 9.280 4.658 236 HE1 TRP 36 HE1 TRP 36 5.659 10.930 2.982 237 HE3 TRP 36 HE3 TRP 36 0.448 12.008 3.524 238 HZ2 TRP 36 HZ2 TRP 36 4.819 13.105 1.386 239 HZ3 TRP 36 HZ3 TRP 36 0.652 13.858 1.914 240 HH2 TRP 36 HH2 TRP 36 2.791 14.395 0.870 241 H ARG 37 H ARG 37 1.114 9.435 2.110 242 HA ARG 37 HA ARG 37 -1.539 10.462 2.109 243 1HB ARG 37 2HB ARG 37 -1.129 10.831 -0.326 244 2HB ARG 37 1HB ARG 37 0.122 11.503 0.712 245 1HG ARG 37 2HG ARG 37 1.531 9.540 0.246 246 2HG ARG 37 1HG ARG 37 0.285 8.933 -0.847 247 1HD ARG 37 2HD ARG 37 1.742 11.559 -1.130 248 2HD ARG 37 1HD ARG 37 2.091 10.092 -2.044 249 HE ARG 37 HE ARG 37 -0.621 10.762 -2.361 250 1HH1 ARG 37 1HH1 ARG 37 2.550 11.880 -3.280 251 2HH1 ARG 37 2HH1 ARG 37 2.003 12.622 -4.747 252 1HH2 ARG 37 1HH2 ARG 37 -1.348 11.736 -4.289 253 2HH2 ARG 37 2HH2 ARG 37 -0.211 12.540 -5.321 254 H ASP 38 H ASP 38 -0.061 7.474 1.060 255 HA ASP 38 HA ASP 38 -2.212 6.507 -0.502 256 1HB ASP 38 2HB ASP 38 -0.098 4.939 0.993 257 2HB ASP 38 1HB ASP 38 -1.120 4.320 -0.302 258 H VAL 39 H VAL 39 -1.229 5.745 2.836 259 HA VAL 39 HA VAL 39 -3.402 4.084 3.443 260 HB VAL 39 HB VAL 39 -1.358 4.189 4.813 261 1HG1 VAL 39 1HG1 VAL 39 -1.090 6.020 6.449 262 2HG1 VAL 39 2HG1 VAL 39 -0.937 6.565 4.778 263 3HG1 VAL 39 3HG1 VAL 39 -2.425 6.874 5.675 264 1HG2 VAL 39 1HG2 VAL 39 -2.440 4.072 7.011 265 2HG2 VAL 39 2HG2 VAL 39 -3.885 4.822 6.332 266 3HG2 VAL 39 3HG2 VAL 39 -3.372 3.229 5.774 267 H LYS 40 H LYS 40 -3.069 7.564 3.463 268 HA LYS 40 HA LYS 40 -5.343 8.153 5.035 269 1HB LYS 40 2HB LYS 40 -3.682 9.695 3.076 270 2HB LYS 40 1HB LYS 40 -5.181 10.382 3.683 271 1HG LYS 40 2HG LYS 40 -4.372 10.259 5.951 272 2HG LYS 40 1HG LYS 40 -2.905 9.441 5.412 273 1HD LYS 40 2HD LYS 40 -2.229 11.405 4.167 274 2HD LYS 40 1HD LYS 40 -3.738 12.220 4.580 275 1HE LYS 40 2HE LYS 40 -1.671 11.299 6.574 276 2HE LYS 40 1HE LYS 40 -1.814 12.947 5.964 277 1HZ LYS 40 1HZ LYS 40 -3.943 11.493 7.437 278 2HZ LYS 40 2HZ LYS 40 -4.003 13.103 6.920 279 3HZ LYS 40 3HZ LYS 40 -2.905 12.640 8.120 280 H LEU 41 H LEU 41 -4.877 7.894 1.518 281 HA LEU 41 HA LEU 41 -7.808 7.951 1.222 282 1HB LEU 41 2HB LEU 41 -5.615 8.797 -0.661 283 2HB LEU 41 1HB LEU 41 -7.252 8.509 -1.212 284 HG LEU 41 HG LEU 41 -6.956 10.866 -0.906 285 1HD1 LEU 41 1HD1 LEU 41 -9.131 9.968 -0.271 286 2HD1 LEU 41 2HD1 LEU 41 -8.708 11.372 0.707 287 3HD1 LEU 41 3HD1 LEU 41 -8.564 9.750 1.384 288 1HD2 LEU 41 1HD2 LEU 41 -6.291 11.875 1.181 289 2HD2 LEU 41 2HD2 LEU 41 -5.051 10.734 0.657 290 3HD2 LEU 41 3HD2 LEU 41 -6.170 10.291 1.946 291 H CYS 42 H CYS 42 -6.028 5.621 1.829 292 HA CYS 42 HA CYS 42 -5.608 3.966 -0.350 293 1HB CYS 42 2HB CYS 42 -4.847 3.372 1.889 294 2HB CYS 42 1HB CYS 42 -6.512 3.218 2.442 295 HG CYS 42 HG CYS 42 -4.809 0.778 1.779 296 H ALA 43 H ALA 43 -8.508 4.385 1.604 297 HA ALA 43 HA ALA 43 -10.330 4.077 -0.501 298 1HB ALA 43 1HB ALA 43 -11.261 1.863 -0.034 299 2HB ALA 43 2HB ALA 43 -9.578 1.754 -0.549 300 3HB ALA 43 3HB ALA 43 -9.992 1.579 1.157 301 H PHE 44 H PHE 44 -9.740 5.474 2.100 302 HA PHE 44 HA PHE 44 -10.928 6.537 3.710 303 1HB PHE 44 2HB PHE 44 -12.758 6.559 1.934 304 2HB PHE 44 1HB PHE 44 -13.390 5.099 2.689 305 HD1 PHE 44 HD1 PHE 44 -12.452 8.611 3.497 306 HD2 PHE 44 HD2 PHE 44 -14.942 5.276 4.387 307 HE1 PHE 44 HE1 PHE 44 -13.722 9.990 5.089 308 HE2 PHE 44 HE2 PHE 44 -16.219 6.649 5.979 309 HZ PHE 44 HZ PHE 44 -15.607 9.012 6.331 310 H GLU 45 H GLU 45 -10.093 3.550 3.497 311 HA GLU 45 HA GLU 45 -11.583 2.391 5.670 312 1HB GLU 45 2HB GLU 45 -9.257 1.333 4.063 313 2HB GLU 45 1HB GLU 45 -10.101 0.422 5.309 314 1HG GLU 45 2HG GLU 45 -11.324 1.484 2.772 315 2HG GLU 45 1HG GLU 45 -10.850 -0.188 3.074 316 H ASP 46 H ASP 46 -8.197 3.271 5.040 317 HA ASP 46 HA ASP 46 -7.686 3.136 7.930 318 1HB ASP 46 2HB ASP 46 -5.745 3.249 5.613 319 2HB ASP 46 1HB ASP 46 -5.296 3.136 7.313 320 H ALA 47 H ALA 47 -9.080 5.335 6.491 321 HA ALA 47 HA ALA 47 -7.387 7.582 6.287 322 1HB ALA 47 1HB ALA 47 -10.346 7.503 6.861 323 2HB ALA 47 2HB ALA 47 -9.433 8.903 6.299 324 3HB ALA 47 3HB ALA 47 -9.607 7.488 5.260 325 H ASP 48 H ASP 48 -8.301 5.828 8.983 326 HA ASP 48 HA ASP 48 -8.068 8.136 10.785 327 1HB ASP 48 2HB ASP 48 -9.001 5.312 11.350 328 2HB ASP 48 1HB ASP 48 -8.939 6.618 12.531 329 H HIS 49 H HIS 49 -6.237 5.708 9.440 330 HA HIS 49 HA HIS 49 -4.140 4.919 9.801 331 1HB HIS 49 2HB HIS 49 -3.960 7.081 11.907 332 2HB HIS 49 1HB HIS 49 -2.609 6.226 11.170 333 HD1 HIS 49 HD1 HIS 49 -4.919 9.060 10.660 334 HD2 HIS 49 HD2 HIS 49 -2.101 6.951 8.450 335 HE1 HIS 49 HE1 HIS 49 -4.447 10.481 8.639 336 HE2 HIS 49 HE2 HIS 49 -2.790 9.153 7.283 337 H ARG 50 H ARG 50 -4.142 2.934 10.610 338 HA ARG 50 HA ARG 50 -5.230 2.288 13.170 339 1HB ARG 50 2HB ARG 50 -3.502 0.581 11.370 340 2HB ARG 50 1HB ARG 50 -4.516 0.012 12.687 341 1HG ARG 50 2HG ARG 50 -5.532 1.374 10.202 342 2HG ARG 50 1HG ARG 50 -5.501 -0.371 10.462 343 1HD ARG 50 2HD ARG 50 -6.993 1.634 12.152 344 2HD ARG 50 1HD ARG 50 -7.711 0.592 10.926 345 HE ARG 50 HE ARG 50 -6.286 -0.897 12.897 346 1HH1 ARG 50 1HH1 ARG 50 -9.294 0.740 12.251 347 2HH1 ARG 50 2HH1 ARG 50 -10.205 -0.223 13.365 348 1HH2 ARG 50 1HH2 ARG 50 -7.478 -2.169 14.366 349 2HH2 ARG 50 2HH2 ARG 50 -9.174 -1.875 14.568 350 H THR 51 H THR 51 -1.980 1.409 12.029 351 HA THR 51 HA THR 51 -0.688 2.742 14.237 352 HB THR 51 HB THR 51 -0.080 -0.162 14.227 353 HG1 THR 51 HG1 THR 51 -1.929 -0.170 15.926 354 1HG2 THR 51 1HG2 THR 51 0.327 0.210 16.551 355 2HG2 THR 51 2HG2 THR 51 -0.517 1.758 16.511 356 3HG2 THR 51 3HG2 THR 51 1.025 1.573 15.678 357 H TYR 52 H TYR 52 1.759 1.988 14.244 358 HA TYR 52 HA TYR 52 2.757 2.575 11.685 359 1HB TYR 52 2HB TYR 52 4.956 2.342 12.596 360 2HB TYR 52 1HB TYR 52 3.939 3.115 13.799 361 HD1 TYR 52 HD1 TYR 52 2.687 0.996 15.274 362 HD2 TYR 52 HD2 TYR 52 6.587 1.094 13.580 363 HE1 TYR 52 HE1 TYR 52 3.449 -0.618 16.956 364 HE2 TYR 52 HE2 TYR 52 7.359 -0.529 15.255 365 HH TYR 52 HH TYR 52 6.728 -1.297 17.502 366 H VAL 53 H VAL 53 2.692 -0.534 13.451 367 HA VAL 53 HA VAL 53 3.845 -1.927 11.209 368 HB VAL 53 HB VAL 53 2.503 -3.050 13.675 369 1HG1 VAL 53 1HG1 VAL 53 2.449 -4.652 11.852 370 2HG1 VAL 53 2HG1 VAL 53 4.169 -4.399 11.548 371 3HG1 VAL 53 3HG1 VAL 53 3.640 -5.151 13.054 372 1HG2 VAL 53 1HG2 VAL 53 4.711 -3.396 14.537 373 2HG2 VAL 53 2HG2 VAL 53 5.439 -2.838 13.029 374 3HG2 VAL 53 3HG2 VAL 53 4.567 -1.705 14.058 375 H ASP 54 H ASP 54 0.610 -1.489 12.562 376 HA ASP 54 HA ASP 54 -0.756 -3.326 10.952 377 1HB ASP 54 2HB ASP 54 -1.668 -0.709 12.163 378 2HB ASP 54 1HB ASP 54 -2.756 -1.835 11.355 379 H LEU 55 H LEU 55 0.160 0.029 10.402 380 HA LEU 55 HA LEU 55 -1.140 0.319 7.901 381 1HB LEU 55 2HB LEU 55 -0.509 2.282 9.121 382 2HB LEU 55 1HB LEU 55 1.166 1.778 9.186 383 HG LEU 55 HG LEU 55 -0.021 2.229 6.494 384 1HD1 LEU 55 1HD1 LEU 55 -0.827 4.133 7.836 385 2HD1 LEU 55 2HD1 LEU 55 0.347 4.613 6.611 386 3HD1 LEU 55 3HD1 LEU 55 0.839 4.483 8.300 387 1HD2 LEU 55 1HD2 LEU 55 2.278 1.459 6.709 388 2HD2 LEU 55 2HD2 LEU 55 2.658 2.839 7.740 389 3HD2 LEU 55 3HD2 LEU 55 2.231 3.093 6.048 390 H LYS 56 H LYS 56 2.175 -0.513 8.845 391 HA LYS 56 HA LYS 56 3.132 -0.842 6.197 392 1HB LYS 56 2HB LYS 56 4.579 -0.470 8.204 393 2HB LYS 56 1HB LYS 56 4.203 -2.107 8.728 394 1HG LYS 56 2HG LYS 56 6.361 -2.049 7.649 395 2HG LYS 56 1HG LYS 56 5.224 -2.986 6.677 396 1HD LYS 56 2HD LYS 56 6.542 -1.559 5.236 397 2HD LYS 56 1HD LYS 56 4.867 -1.006 5.244 398 1HE LYS 56 2HE LYS 56 5.464 0.728 6.879 399 2HE LYS 56 1HE LYS 56 7.140 0.180 6.836 400 1HZ LYS 56 1HZ LYS 56 5.616 1.294 4.542 401 2HZ LYS 56 2HZ LYS 56 7.215 0.747 4.480 402 3HZ LYS 56 3HZ LYS 56 6.821 2.097 5.418 403 H ASP 57 H ASP 57 1.138 -2.725 8.197 404 HA ASP 57 HA ASP 57 1.768 -5.288 7.111 405 1HB ASP 57 2HB ASP 57 0.675 -4.877 9.354 406 2HB ASP 57 1HB ASP 57 -0.794 -4.460 8.480 407 H LYS 58 H LYS 58 -0.849 -2.947 6.653 408 HA LYS 58 HA LYS 58 -2.224 -4.370 4.649 409 1HB LYS 58 2HB LYS 58 -2.110 -1.381 5.114 410 2HB LYS 58 1HB LYS 58 -3.308 -2.219 4.140 411 1HG LYS 58 2HG LYS 58 -2.901 -2.629 7.095 412 2HG LYS 58 1HG LYS 58 -4.138 -1.600 6.372 413 1HD LYS 58 2HD LYS 58 -5.095 -3.547 5.239 414 2HD LYS 58 1HD LYS 58 -3.853 -4.576 5.953 415 1HE LYS 58 2HE LYS 58 -5.950 -4.742 7.188 416 2HE LYS 58 1HE LYS 58 -4.677 -4.038 8.184 417 1HZ LYS 58 1HZ LYS 58 -6.814 -2.523 6.783 418 2HZ LYS 58 2HZ LYS 58 -5.590 -1.844 7.734 419 3HZ LYS 58 3HZ LYS 58 -6.756 -2.843 8.444 420 H TRP 59 H TRP 59 0.530 -2.236 4.584 421 HA TRP 59 HA TRP 59 0.559 -1.864 1.745 422 1HB TRP 59 2HB TRP 59 1.656 -0.138 2.809 423 2HB TRP 59 1HB TRP 59 2.341 -1.188 4.041 424 HD1 TRP 59 HD1 TRP 59 4.583 -2.547 3.371 425 HE1 TRP 59 HE1 TRP 59 6.437 -1.984 1.671 426 HE3 TRP 59 HE3 TRP 59 2.086 0.922 0.572 427 HZ2 TRP 59 HZ2 TRP 59 6.785 -0.295 -0.565 428 HZ3 TRP 59 HZ3 TRP 59 3.249 1.965 -1.329 429 HH2 TRP 59 HH2 TRP 59 5.549 1.368 -1.883 430 H LYS 60 H LYS 60 2.412 -3.837 4.034 431 HA LYS 60 HA LYS 60 4.107 -5.116 2.243 432 1HB LYS 60 2HB LYS 60 4.211 -5.239 4.752 433 2HB LYS 60 1HB LYS 60 2.874 -6.378 4.697 434 1HG LYS 60 2HG LYS 60 4.475 -7.652 3.039 435 2HG LYS 60 1HG LYS 60 5.711 -6.740 3.905 436 1HD LYS 60 2HD LYS 60 5.588 -8.666 5.167 437 2HD LYS 60 1HD LYS 60 4.467 -7.610 6.026 438 1HE LYS 60 2HE LYS 60 3.596 -9.538 3.886 439 2HE LYS 60 1HE LYS 60 3.662 -9.966 5.594 440 1HZ LYS 60 1HZ LYS 60 2.023 -7.797 4.397 441 2HZ LYS 60 2HZ LYS 60 2.110 -8.149 6.048 442 3HZ LYS 60 3HZ LYS 60 1.447 -9.279 4.978 443 H THR 61 H THR 61 0.814 -5.896 3.215 444 HA THR 61 HA THR 61 0.688 -8.308 1.657 445 HB THR 61 HB THR 61 -1.596 -6.708 2.838 446 HG1 THR 61 HG1 THR 61 -1.288 -8.676 4.383 447 1HG2 THR 61 1HG2 THR 61 -2.307 -8.313 1.137 448 2HG2 THR 61 2HG2 THR 61 -2.812 -8.839 2.742 449 3HG2 THR 61 3HG2 THR 61 -1.423 -9.596 1.964 450 H LEU 62 H LEU 62 0.108 -4.951 1.150 451 HA LEU 62 HA LEU 62 -1.639 -5.024 -1.036 452 1HB LEU 62 2HB LEU 62 -0.089 -3.087 0.357 453 2HB LEU 62 1HB LEU 62 0.238 -2.897 -1.355 454 HG LEU 62 HG LEU 62 -2.568 -2.984 -0.274 455 1HD1 LEU 62 1HD1 LEU 62 -1.313 -1.184 0.848 456 2HD1 LEU 62 2HD1 LEU 62 -2.560 -0.565 -0.236 457 3HD1 LEU 62 3HD1 LEU 62 -0.867 -0.536 -0.730 458 1HD2 LEU 62 1HD2 LEU 62 -3.069 -1.806 -2.359 459 2HD2 LEU 62 2HD2 LEU 62 -2.298 -3.362 -2.668 460 3HD2 LEU 62 3HD2 LEU 62 -1.365 -1.872 -2.808 461 H VAL 63 H VAL 63 1.894 -5.119 -0.853 462 HA VAL 63 HA VAL 63 2.153 -5.391 -3.722 463 HB VAL 63 HB VAL 63 4.588 -5.676 -3.232 464 1HG1 VAL 63 1HG1 VAL 63 3.660 -3.482 -3.721 465 2HG1 VAL 63 2HG1 VAL 63 3.261 -3.254 -2.017 466 3HG1 VAL 63 3HG1 VAL 63 4.948 -3.357 -2.524 467 1HG2 VAL 63 1HG2 VAL 63 5.376 -5.189 -0.951 468 2HG2 VAL 63 2HG2 VAL 63 3.706 -5.205 -0.386 469 3HG2 VAL 63 3HG2 VAL 63 4.434 -6.677 -1.027 470 H HIS 64 H HIS 64 2.578 -7.420 -0.851 471 HA HIS 64 HA HIS 64 3.575 -9.729 -1.953 472 1HB HIS 64 2HB HIS 64 3.301 -9.505 0.431 473 2HB HIS 64 1HB HIS 64 1.557 -9.350 0.271 474 HD1 HIS 64 HD1 HIS 64 1.789 -11.382 2.114 475 HD2 HIS 64 HD2 HIS 64 2.684 -12.260 -1.842 476 HE1 HIS 64 HE1 HIS 64 1.668 -13.888 1.941 477 HE2 HIS 64 HE2 HIS 64 2.128 -14.392 -0.485 478 H THR 65 H THR 65 0.154 -8.876 -1.564 479 HA THR 65 HA THR 65 -0.960 -11.129 -2.760 480 HB THR 65 HB THR 65 -2.097 -8.328 -2.763 481 HG1 THR 65 HG1 THR 65 -2.555 -8.672 -0.720 482 1HG2 THR 65 1HG2 THR 65 -4.272 -9.464 -2.890 483 2HG2 THR 65 2HG2 THR 65 -3.449 -11.018 -3.017 484 3HG2 THR 65 3HG2 THR 65 -3.272 -9.819 -4.299 485 H ALA 66 H ALA 66 0.492 -8.314 -4.204 486 HA ALA 66 HA ALA 66 -0.676 -8.437 -6.744 487 1HB ALA 66 1HB ALA 66 0.656 -6.531 -5.978 488 2HB ALA 66 2HB ALA 66 2.113 -7.522 -6.052 489 3HB ALA 66 3HB ALA 66 1.228 -7.145 -7.529 490 H LYS 67 H LYS 67 2.771 -9.137 -6.550 491 HA LYS 67 HA LYS 67 2.414 -11.849 -7.507 492 1HB LYS 67 2HB LYS 67 3.596 -9.678 -9.240 493 2HB LYS 67 1HB LYS 67 3.881 -11.388 -9.523 494 1HG LYS 67 2HG LYS 67 1.491 -11.742 -9.847 495 2HG LYS 67 1HG LYS 67 1.192 -10.032 -9.536 496 1HD LYS 67 2HD LYS 67 1.190 -10.387 -11.910 497 2HD LYS 67 1HD LYS 67 2.645 -9.485 -11.480 498 1HE LYS 67 2HE LYS 67 3.949 -11.556 -11.554 499 2HE LYS 67 1HE LYS 67 2.494 -12.456 -11.982 500 1HZ LYS 67 1HZ LYS 67 3.730 -10.296 -13.603 501 2HZ LYS 67 2HZ LYS 67 2.337 -11.160 -14.016 502 3HZ LYS 67 3HZ LYS 67 3.827 -11.955 -13.929 503 H ILE 68 H ILE 68 3.728 -10.339 -5.259 504 HA ILE 68 HA ILE 68 6.519 -10.397 -5.558 505 HB ILE 68 HB ILE 68 4.872 -10.799 -3.056 506 1HG1 ILE 68 2HG1 ILE 68 4.469 -8.652 -4.156 507 2HG1 ILE 68 1HG1 ILE 68 5.354 -8.419 -2.652 508 1HG2 ILE 68 1HG2 ILE 68 7.102 -11.662 -2.708 509 2HG2 ILE 68 2HG2 ILE 68 6.914 -10.139 -1.841 510 3HG2 ILE 68 3HG2 ILE 68 7.809 -10.184 -3.361 511 1HD1 ILE 68 1HD1 ILE 68 7.434 -8.214 -3.960 512 2HD1 ILE 68 2HD1 ILE 68 6.241 -6.977 -4.355 513 3HD1 ILE 68 3HD1 ILE 68 6.485 -8.347 -5.439 514 H SER 69 H SER 69 4.196 -12.907 -4.922 515 HA SER 69 HA SER 69 4.410 -15.138 -4.402 516 1HB SER 69 2HB SER 69 4.749 -15.059 -6.830 517 2HB SER 69 1HB SER 69 6.483 -14.844 -6.588 518 HG SER 69 HG SER 69 5.922 -17.029 -7.006 519 HA PRO 70 HA PRO 70 8.240 -14.707 -1.766 520 1HB PRO 70 2HB PRO 70 6.447 -15.369 0.443 521 2HB PRO 70 1HB PRO 70 7.497 -13.963 0.243 522 1HG PRO 70 2HG PRO 70 4.803 -13.788 0.130 523 2HG PRO 70 1HG PRO 70 5.869 -12.731 -0.814 524 1HD PRO 70 2HD PRO 70 4.357 -15.169 -1.686 525 2HD PRO 70 1HD PRO 70 4.578 -13.619 -2.527 526 H GLN 71 H GLN 71 6.101 -17.074 -2.705 527 HA GLN 71 HA GLN 71 7.434 -19.167 -1.130 528 1HB GLN 71 2HB GLN 71 4.942 -19.405 -2.823 529 2HB GLN 71 1HB GLN 71 5.584 -20.614 -1.720 530 1HG GLN 71 2HG GLN 71 4.495 -17.914 -0.950 531 2HG GLN 71 1HG GLN 71 3.673 -19.461 -0.761 532 1HE2 GLN 71 1HE2 GLN 71 6.126 -20.844 0.015 533 2HE2 GLN 71 2HE2 GLN 71 6.454 -20.359 1.640 534 H GLN 72 H GLN 72 6.424 -18.402 -4.446 535 HA GLN 72 HA GLN 72 7.359 -18.853 -6.467 536 1HB GLN 72 2HB GLN 72 9.666 -19.952 -4.850 537 2HB GLN 72 1HB GLN 72 9.674 -19.734 -6.593 538 1HG GLN 72 2HG GLN 72 9.278 -17.505 -4.614 539 2HG GLN 72 1HG GLN 72 10.831 -17.942 -5.327 540 1HE2 GLN 72 1HE2 GLN 72 11.197 -17.532 -7.507 541 2HE2 GLN 72 2HE2 GLN 72 10.207 -16.447 -8.418 542 H ARG 73 H ARG 73 6.998 -21.297 -4.075 543 HA ARG 73 HA ARG 73 5.746 -23.118 -5.783 544 1HB ARG 73 2HB ARG 73 7.423 -24.927 -5.851 545 2HB ARG 73 1HB ARG 73 7.952 -23.504 -6.736 546 1HG ARG 73 2HG ARG 73 9.393 -22.860 -4.897 547 2HG ARG 73 1HG ARG 73 8.818 -24.230 -3.945 548 1HD ARG 73 2HD ARG 73 10.312 -24.389 -6.561 549 2HD ARG 73 1HD ARG 73 10.988 -24.702 -4.962 550 HE ARG 73 HE ARG 73 8.773 -26.373 -5.332 551 1HH1 ARG 73 1HH1 ARG 73 11.994 -25.918 -6.584 552 2HH1 ARG 73 2HH1 ARG 73 12.207 -27.587 -6.997 553 1HH2 ARG 73 1HH2 ARG 73 9.046 -28.571 -5.873 554 2HH2 ARG 73 2HH2 ARG 73 10.532 -29.093 -6.593 555 H ARG 74 H ARG 74 5.607 -21.901 -3.129 556 HA ARG 74 HA ARG 74 4.935 -22.414 -1.022 557 1HB ARG 74 2HB ARG 74 3.634 -24.163 -2.545 558 2HB ARG 74 1HB ARG 74 4.652 -25.310 -1.687 559 1HG ARG 74 2HG ARG 74 2.836 -23.311 -0.357 560 2HG ARG 74 1HG ARG 74 2.426 -24.999 -0.664 561 1HD ARG 74 2HD ARG 74 4.306 -25.708 0.731 562 2HD ARG 74 1HD ARG 74 4.724 -24.021 1.029 563 HE ARG 74 HE ARG 74 2.033 -24.791 1.776 564 1HH1 ARG 74 1HH1 ARG 74 5.341 -24.368 2.793 565 2HH1 ARG 74 2HH1 ARG 74 4.941 -24.236 4.472 566 1HH2 ARG 74 1HH2 ARG 74 1.500 -24.618 3.987 567 2HH2 ARG 74 2HH2 ARG 74 2.759 -24.380 5.151 568 H GLY 75 H GLY 75 6.846 -22.049 0.046 569 1HA GLY 75 1HA GLY 75 9.003 -23.903 0.110 570 2HA GLY 75 2HA GLY 75 8.797 -22.517 1.169 571 H GLU 76 H GLU 76 8.392 -22.905 3.247 572 HA GLU 76 HA GLU 76 6.789 -25.059 4.161 573 1HB GLU 76 2HB GLU 76 8.782 -26.364 3.602 574 2HB GLU 76 1HB GLU 76 9.766 -25.319 4.619 575 1HG GLU 76 2HG GLU 76 9.274 -27.400 5.748 576 2HG GLU 76 1HG GLU 76 8.513 -26.047 6.584 577 HA PRO 77 HA PRO 77 8.543 -22.655 7.941 578 1HB PRO 77 2HB PRO 77 10.251 -20.604 7.531 579 2HB PRO 77 1HB PRO 77 10.799 -22.272 7.729 580 1HG PRO 77 2HG PRO 77 10.417 -20.693 5.215 581 2HG PRO 77 1HG PRO 77 11.752 -21.770 5.667 582 1HD PRO 77 2HD PRO 77 9.730 -22.536 4.023 583 2HD PRO 77 1HD PRO 77 10.585 -23.665 5.091 584 H VAL 78 H VAL 78 9.264 -19.670 6.375 585 HA VAL 78 HA VAL 78 6.479 -18.856 6.181 586 HB VAL 78 HB VAL 78 6.879 -16.838 7.612 587 1HG1 VAL 78 1HG1 VAL 78 5.595 -18.731 8.448 588 2HG1 VAL 78 2HG1 VAL 78 7.079 -19.506 9.004 589 3HG1 VAL 78 3HG1 VAL 78 6.543 -17.998 9.742 590 1HG2 VAL 78 1HG2 VAL 78 9.312 -16.851 7.594 591 2HG2 VAL 78 2HG2 VAL 78 8.705 -16.921 9.248 592 3HG2 VAL 78 3HG2 VAL 78 9.326 -18.378 8.473 593 HA PRO 79 HA PRO 79 8.153 -16.295 2.972 594 1HB PRO 79 2HB PRO 79 6.271 -14.375 2.779 595 2HB PRO 79 1HB PRO 79 5.968 -16.041 2.273 596 1HG PRO 79 2HG PRO 79 5.192 -14.663 4.815 597 2HG PRO 79 1HG PRO 79 4.235 -15.755 3.797 598 1HD PRO 79 2HD PRO 79 5.486 -16.561 6.077 599 2HD PRO 79 1HD PRO 79 5.198 -17.638 4.697 600 H GLN 80 H GLN 80 10.023 -15.357 3.701 601 HA GLN 80 HA GLN 80 9.855 -13.030 5.464 602 1HB GLN 80 2HB GLN 80 12.180 -14.694 4.503 603 2HB GLN 80 1HB GLN 80 12.372 -13.229 5.456 604 1HG GLN 80 2HG GLN 80 11.074 -14.239 7.265 605 2HG GLN 80 1HG GLN 80 10.894 -15.709 6.309 606 1HE2 GLN 80 1HE2 GLN 80 13.611 -15.517 5.239 607 2HE2 GLN 80 2HE2 GLN 80 14.662 -15.998 6.522 608 H GLU 81 H GLU 81 10.515 -13.906 2.185 609 HA GLU 81 HA GLU 81 12.015 -11.804 1.241 610 1HB GLU 81 2HB GLU 81 9.718 -13.190 -0.147 611 2HB GLU 81 1HB GLU 81 10.934 -12.200 -0.945 612 1HG GLU 81 2HG GLU 81 12.670 -13.766 -0.230 613 2HG GLU 81 1HG GLU 81 11.444 -14.762 0.551 614 H LEU 82 H LEU 82 8.472 -11.914 1.586 615 HA LEU 82 HA LEU 82 7.943 -9.397 0.506 616 1HB LEU 82 2HB LEU 82 5.869 -9.507 2.056 617 2HB LEU 82 1HB LEU 82 6.039 -10.655 0.748 618 HG LEU 82 HG LEU 82 6.984 -12.275 2.482 619 1HD1 LEU 82 1HD1 LEU 82 7.488 -11.185 4.403 620 2HD1 LEU 82 2HD1 LEU 82 5.821 -11.614 4.778 621 3HD1 LEU 82 3HD1 LEU 82 6.206 -9.996 4.196 622 1HD2 LEU 82 1HD2 LEU 82 4.765 -12.953 3.201 623 2HD2 LEU 82 2HD2 LEU 82 4.749 -12.461 1.508 624 3HD2 LEU 82 3HD2 LEU 82 4.122 -11.375 2.747 625 H LEU 83 H LEU 83 8.919 -10.297 3.769 626 HA LEU 83 HA LEU 83 8.473 -7.667 4.842 627 1HB LEU 83 2HB LEU 83 9.691 -10.197 5.863 628 2HB LEU 83 1HB LEU 83 10.001 -8.699 6.717 629 HG LEU 83 HG LEU 83 7.244 -9.800 6.164 630 1HD1 LEU 83 1HD1 LEU 83 8.891 -9.886 8.687 631 2HD1 LEU 83 2HD1 LEU 83 8.471 -11.265 7.670 632 3HD1 LEU 83 3HD1 LEU 83 7.207 -10.390 8.535 633 1HD2 LEU 83 1HD2 LEU 83 6.532 -8.136 7.811 634 2HD2 LEU 83 2HD2 LEU 83 7.301 -7.376 6.417 635 3HD2 LEU 83 3HD2 LEU 83 8.189 -7.546 7.931 636 H ASN 84 H ASN 84 11.114 -9.358 3.343 637 HA ASN 84 HA ASN 84 13.184 -7.619 4.233 638 1HB ASN 84 2HB ASN 84 13.663 -9.889 3.451 639 2HB ASN 84 1HB ASN 84 13.087 -9.468 1.841 640 1HD2 ASN 84 1HD2 ASN 84 14.337 -8.138 0.532 641 2HD2 ASN 84 2HD2 ASN 84 16.008 -7.838 0.858 642 H ARG 85 H ARG 85 11.400 -7.871 1.159 643 HA ARG 85 HA ARG 85 12.685 -5.605 0.010 644 1HB ARG 85 2HB ARG 85 11.041 -5.821 -1.784 645 2HB ARG 85 1HB ARG 85 11.750 -7.377 -1.379 646 1HG ARG 85 2HG ARG 85 9.736 -7.879 -0.017 647 2HG ARG 85 1HG ARG 85 9.024 -6.371 -0.597 648 1HD ARG 85 2HD ARG 85 9.841 -8.758 -2.247 649 2HD ARG 85 1HD ARG 85 8.202 -8.180 -1.946 650 HE ARG 85 HE ARG 85 9.036 -6.089 -3.169 651 1HH1 ARG 85 1HH1 ARG 85 10.110 -9.335 -3.848 652 2HH1 ARG 85 2HH1 ARG 85 10.475 -9.005 -5.508 653 1HH2 ARG 85 1HH2 ARG 85 9.513 -5.647 -5.355 654 2HH2 ARG 85 2HH2 ARG 85 10.135 -6.908 -6.364 655 H VAL 86 H VAL 86 9.766 -6.041 1.910 656 HA VAL 86 HA VAL 86 8.642 -3.495 1.309 657 HB VAL 86 HB VAL 86 8.121 -5.544 3.433 658 1HG1 VAL 86 1HG1 VAL 86 6.949 -2.766 3.345 659 2HG1 VAL 86 2HG1 VAL 86 6.282 -4.101 4.285 660 3HG1 VAL 86 3HG1 VAL 86 7.892 -3.483 4.653 661 1HG2 VAL 86 1HG2 VAL 86 5.890 -5.528 2.391 662 2HG2 VAL 86 2HG2 VAL 86 6.441 -4.288 1.266 663 3HG2 VAL 86 3HG2 VAL 86 7.167 -5.894 1.233 664 H LEU 87 H LEU 87 10.307 -4.675 4.247 665 HA LEU 87 HA LEU 87 10.461 -2.197 5.529 666 1HB LEU 87 2HB LEU 87 11.344 -4.822 6.020 667 2HB LEU 87 1HB LEU 87 12.776 -3.815 6.106 668 HG LEU 87 HG LEU 87 11.592 -2.370 7.766 669 1HD1 LEU 87 1HD1 LEU 87 9.537 -4.575 7.684 670 2HD1 LEU 87 2HD1 LEU 87 9.299 -2.909 7.159 671 3HD1 LEU 87 3HD1 LEU 87 9.593 -3.264 8.862 672 1HD2 LEU 87 1HD2 LEU 87 13.165 -4.087 8.479 673 2HD2 LEU 87 2HD2 LEU 87 11.870 -5.284 8.487 674 3HD2 LEU 87 3HD2 LEU 87 11.833 -3.940 9.627 675 H ASN 88 H ASN 88 12.421 -3.636 3.032 676 HA ASN 88 HA ASN 88 14.596 -1.791 3.223 677 1HB ASN 88 2HB ASN 88 14.617 -4.110 2.140 678 2HB ASN 88 1HB ASN 88 13.820 -3.358 0.766 679 1HD2 ASN 88 1HD2 ASN 88 15.533 -3.772 -0.606 680 2HD2 ASN 88 2HD2 ASN 88 17.027 -2.909 -0.510 681 H ALA 89 H ALA 89 11.690 -2.057 1.258 682 HA ALA 89 HA ALA 89 12.120 0.035 -0.525 683 1HB ALA 89 1HB ALA 89 9.702 0.085 -0.824 684 2HB ALA 89 2HB ALA 89 10.288 -1.577 -0.742 685 3HB ALA 89 3HB ALA 89 9.489 -0.853 0.654 686 H HIS 90 H HIS 90 10.282 0.151 2.537 687 HA HIS 90 HA HIS 90 9.852 2.913 2.544 688 1HB HIS 90 2HB HIS 90 8.636 1.396 4.028 689 2HB HIS 90 1HB HIS 90 10.122 1.021 4.893 690 HD1 HIS 90 HD1 HIS 90 7.507 3.663 4.523 691 HD2 HIS 90 HD2 HIS 90 10.969 2.974 6.717 692 HE1 HIS 90 HE1 HIS 90 7.520 5.414 6.328 693 HE2 HIS 90 HE2 HIS 90 9.578 4.923 7.696 694 H GLY 91 H GLY 91 12.369 0.993 4.166 695 1HA GLY 91 1HA GLY 91 13.801 3.079 5.326 696 2HA GLY 91 2HA GLY 91 14.496 1.540 4.837 697 H TYR 92 H TYR 92 13.766 1.931 2.030 698 HA TYR 92 HA TYR 92 16.122 3.252 1.159 699 1HB TYR 92 2HB TYR 92 15.453 1.554 -0.277 700 2HB TYR 92 1HB TYR 92 13.755 1.991 -0.175 701 HD1 TYR 92 HD1 TYR 92 12.832 3.729 -1.590 702 HD2 TYR 92 HD2 TYR 92 16.939 2.662 -1.854 703 HE1 TYR 92 HE1 TYR 92 12.992 4.917 -3.730 704 HE2 TYR 92 HE2 TYR 92 17.114 3.850 -4.001 705 HH TYR 92 HH TYR 92 15.637 4.579 -5.828 706 H TRP 93 H TRP 93 12.708 4.162 1.251 707 HA TRP 93 HA TRP 93 12.871 6.556 -0.180 708 1HB TRP 93 2HB TRP 93 11.072 5.940 2.175 709 2HB TRP 93 1HB TRP 93 10.843 7.252 1.027 710 HD1 TRP 93 HD1 TRP 93 11.559 5.202 -1.536 711 HE1 TRP 93 HE1 TRP 93 9.632 3.686 -2.326 712 HE3 TRP 93 HE3 TRP 93 8.621 5.384 2.641 713 HZ2 TRP 93 HZ2 TRP 93 7.186 2.705 -1.306 714 HZ3 TRP 93 HZ3 TRP 93 6.503 4.133 2.653 715 HH2 TRP 93 HH2 TRP 93 5.802 2.820 0.719 716 H THR 94 H THR 94 12.972 6.066 3.347 717 HA THR 94 HA THR 94 13.615 8.754 3.947 718 HB THR 94 HB THR 94 14.153 7.939 6.208 719 HG1 THR 94 HG1 THR 94 14.019 5.441 4.889 720 1HG2 THR 94 1HG2 THR 94 11.819 8.356 5.610 721 2HG2 THR 94 2HG2 THR 94 11.947 7.003 6.736 722 3HG2 THR 94 3HG2 THR 94 11.666 6.701 5.021 723 H GLN 95 H GLN 95 15.644 5.836 3.793 724 HA GLN 95 HA GLN 95 18.046 7.166 4.494 725 1HB GLN 95 2HB GLN 95 17.522 4.519 3.153 726 2HB GLN 95 1HB GLN 95 19.138 5.084 3.555 727 1HG GLN 95 2HG GLN 95 16.900 4.625 5.514 728 2HG GLN 95 1HG GLN 95 18.272 3.552 5.239 729 1HE2 GLN 95 1HE2 GLN 95 20.311 4.156 5.966 730 2HE2 GLN 95 2HE2 GLN 95 20.535 5.411 7.132 731 H GLN 96 H GLN 96 17.157 5.751 1.328 732 HA GLN 96 HA GLN 96 19.266 7.037 -0.023 733 1HB GLN 96 2HB GLN 96 17.983 4.994 -0.795 734 2HB GLN 96 1HB GLN 96 16.711 6.094 -1.310 735 1HG GLN 96 2HG GLN 96 18.109 5.509 -3.182 736 2HG GLN 96 1HG GLN 96 18.300 7.219 -2.798 737 1HE2 GLN 96 1HE2 GLN 96 20.234 7.943 -1.917 738 2HE2 GLN 96 2HE2 GLN 96 21.679 6.998 -1.964 739 H GLN 97 H GLN 97 16.237 8.184 1.038 740 HA GLN 97 HA GLN 97 15.135 10.156 0.809 741 1HB GLN 97 2HB GLN 97 17.856 11.114 -0.090 742 2HB GLN 97 1HB GLN 97 16.511 12.162 0.341 743 1HG GLN 97 2HG GLN 97 16.541 11.278 2.613 744 2HG GLN 97 1HG GLN 97 17.879 10.213 2.183 745 1HE2 GLN 97 1HE2 GLN 97 17.569 13.477 0.988 746 2HE2 GLN 97 2HE2 GLN 97 18.903 14.134 1.866 747 H MET 98 H MET 98 14.068 8.931 -1.001 748 HA MET 98 HA MET 98 13.172 8.837 -3.091 749 1HB MET 98 2HB MET 98 13.962 11.755 -3.095 750 2HB MET 98 1HB MET 98 12.828 11.008 -4.211 751 1HG MET 98 2HG MET 98 11.347 10.464 -2.347 752 2HG MET 98 1HG MET 98 12.486 11.210 -1.227 753 1HE MET 98 1HE MET 98 9.394 11.984 -1.371 754 2HE MET 98 2HE MET 98 9.491 13.741 -1.255 755 3HE MET 98 3HE MET 98 10.534 12.732 -0.253 756 H GLN 99 H GLN 99 15.479 7.651 -3.239 757 HA GLN 99 HA GLN 99 16.983 6.875 -4.753 758 1HB GLN 99 2HB GLN 99 15.353 7.509 -6.497 759 2HB GLN 99 1HB GLN 99 16.055 9.120 -6.551 760 1HG GLN 99 2HG GLN 99 18.182 8.170 -7.282 761 2HG GLN 99 1HG GLN 99 17.477 6.555 -7.229 762 1HE2 GLN 99 1HE2 GLN 99 17.839 6.201 -9.410 763 2HE2 GLN 99 2HE2 GLN 99 16.919 6.987 -10.643 764 H GLN 100 H GLN 100 16.932 10.368 -4.250 765 HA GLN 100 HA GLN 100 19.631 10.406 -3.405 766 1HB GLN 100 2HB GLN 100 19.810 10.228 -5.953 767 2HB GLN 100 1HB GLN 100 19.183 11.870 -5.996 768 1HG GLN 100 2HG GLN 100 21.603 11.161 -4.380 769 2HG GLN 100 1HG GLN 100 21.713 11.533 -6.098 770 1HE2 GLN 100 1HE2 GLN 100 22.779 12.932 -3.742 771 2HE2 GLN 100 2HE2 GLN 100 22.174 14.547 -3.846 772 H LEU 101 H LEU 101 17.844 12.820 -5.265 773 HA LEU 101 HA LEU 101 16.639 14.218 -3.197 774 1HB LEU 101 2HB LEU 101 19.307 14.477 -2.839 775 2HB LEU 101 1HB LEU 101 19.027 15.816 -3.933 776 HG LEU 101 HG LEU 101 18.987 16.546 -1.603 777 1HD1 LEU 101 1HD1 LEU 101 17.598 17.714 -3.255 778 2HD1 LEU 101 2HD1 LEU 101 16.895 17.760 -1.638 779 3HD1 LEU 101 3HD1 LEU 101 16.245 16.656 -2.850 780 1HD2 LEU 101 1HD2 LEU 101 18.227 14.470 -0.578 781 2HD2 LEU 101 2HD2 LEU 101 16.636 14.680 -1.309 782 3HD2 LEU 101 3HD2 LEU 101 17.206 15.825 -0.096 783 H GLN 102 H GLN 102 18.252 14.220 -6.272 784 HA GLN 102 HA GLN 102 17.216 16.616 -7.329 785 1HB GLN 102 2HB GLN 102 19.105 15.329 -8.308 786 2HB GLN 102 1HB GLN 102 17.962 14.099 -8.829 787 1HG GLN 102 2HG GLN 102 18.530 15.553 -10.668 788 2HG GLN 102 1HG GLN 102 16.832 15.748 -10.236 789 1HE2 GLN 102 1HE2 GLN 102 16.708 17.783 -11.162 790 2HE2 GLN 102 2HE2 GLN 102 17.453 19.171 -10.453 791 H GLN 103 H GLN 103 15.381 17.087 -8.457 792 HA GLN 103 HA GLN 103 13.047 15.621 -7.897 793 1HB GLN 103 2HB GLN 103 13.082 18.051 -8.354 794 2HB GLN 103 1HB GLN 103 13.478 17.716 -10.034 795 1HG GLN 103 2HG GLN 103 11.134 18.222 -9.821 796 2HG GLN 103 1HG GLN 103 11.345 16.536 -10.289 797 1HE2 GLN 103 1HE2 GLN 103 10.856 14.911 -8.813 798 2HE2 GLN 103 2HE2 GLN 103 9.915 15.208 -7.396 799 H ASN 104 H ASN 104 15.289 15.513 -10.557 800 HA ASN 104 HA ASN 104 13.581 14.094 -12.350 801 1HB ASN 104 2HB ASN 104 16.595 14.356 -12.309 802 2HB ASN 104 1HB ASN 104 15.657 13.679 -13.637 803 1HD2 ASN 104 1HD2 ASN 104 14.400 15.039 -14.909 804 2HD2 ASN 104 2HD2 ASN 104 14.626 16.752 -14.919 805 H VAL 105 H VAL 105 12.774 12.452 -10.909 806 HA VAL 105 HA VAL 105 14.627 10.426 -9.985 807 HB VAL 105 HB VAL 105 12.846 10.889 -8.480 808 1HG1 VAL 105 1HG1 VAL 105 10.922 10.297 -10.725 809 2HG1 VAL 105 2HG1 VAL 105 10.485 10.663 -9.058 810 3HG1 VAL 105 3HG1 VAL 105 11.273 11.888 -10.051 811 1HG2 VAL 105 1HG2 VAL 105 11.781 8.711 -8.222 812 2HG2 VAL 105 2HG2 VAL 105 12.236 8.282 -9.870 813 3HG2 VAL 105 3HG2 VAL 105 13.482 8.534 -8.648 Start of MODEL 8 1 H GLN 9 H GLN 9 -24.647 8.239 -1.014 2 HA GLN 9 HA GLN 9 -26.456 9.063 1.147 3 1HB GLN 9 2HB GLN 9 -27.063 8.259 -1.705 4 2HB GLN 9 1HB GLN 9 -28.259 8.756 -0.515 5 1HG GLN 9 2HG GLN 9 -27.213 10.962 -0.386 6 2HG GLN 9 1HG GLN 9 -26.022 10.462 -1.586 7 1HE2 GLN 9 1HE2 GLN 9 -26.655 10.201 -3.728 8 2HE2 GLN 9 2HE2 GLN 9 -28.135 10.855 -4.336 9 H ARG 10 H ARG 10 -28.549 7.257 0.268 10 HA ARG 10 HA ARG 10 -28.233 5.137 1.982 11 1HB ARG 10 2HB ARG 10 -30.057 4.034 0.684 12 2HB ARG 10 1HB ARG 10 -30.398 5.705 1.112 13 1HG ARG 10 2HG ARG 10 -29.700 6.385 -1.162 14 2HG ARG 10 1HG ARG 10 -29.501 4.682 -1.573 15 1HD ARG 10 2HD ARG 10 -31.661 5.519 -2.334 16 2HD ARG 10 1HD ARG 10 -31.862 4.282 -1.093 17 HE ARG 10 HE ARG 10 -31.903 6.609 0.304 18 1HH1 ARG 10 1HH1 ARG 10 -33.677 5.405 -2.445 19 2HH1 ARG 10 2HH1 ARG 10 -35.112 6.302 -2.074 20 1HH2 ARG 10 1HH2 ARG 10 -33.788 7.794 0.798 21 2HH2 ARG 10 2HH2 ARG 10 -35.174 7.661 -0.232 22 H ARG 11 H ARG 11 -27.228 5.388 -1.373 23 HA ARG 11 HA ARG 11 -26.367 2.601 -1.416 24 1HB ARG 11 2HB ARG 11 -27.494 3.524 -3.398 25 2HB ARG 11 1HB ARG 11 -26.226 4.733 -3.558 26 1HG ARG 11 2HG ARG 11 -24.587 2.983 -3.976 27 2HG ARG 11 1HG ARG 11 -25.838 1.755 -3.777 28 1HD ARG 11 2HD ARG 11 -25.792 3.910 -5.888 29 2HD ARG 11 1HD ARG 11 -25.392 2.211 -6.139 30 HE ARG 11 HE ARG 11 -27.989 2.480 -5.035 31 1HH1 ARG 11 1HH1 ARG 11 -26.207 2.862 -8.006 32 2HH1 ARG 11 2HH1 ARG 11 -27.583 2.577 -9.018 33 1HH2 ARG 11 1HH2 ARG 11 -29.804 2.105 -6.361 34 2HH2 ARG 11 2HH2 ARG 11 -29.628 2.147 -8.083 35 H ILE 12 H ILE 12 -24.321 1.948 -1.156 36 HA ILE 12 HA ILE 12 -22.326 3.918 -0.424 37 HB ILE 12 HB ILE 12 -22.090 0.908 -0.512 38 1HG1 ILE 12 2HG1 ILE 12 -23.841 1.624 1.047 39 2HG1 ILE 12 1HG1 ILE 12 -22.447 0.995 1.919 40 1HG2 ILE 12 1HG2 ILE 12 -20.355 2.998 0.796 41 2HG2 ILE 12 2HG2 ILE 12 -19.929 1.998 -0.592 42 3HG2 ILE 12 3HG2 ILE 12 -20.171 1.254 0.988 43 1HD1 ILE 12 1HD1 ILE 12 -23.345 2.968 3.002 44 2HD1 ILE 12 2HD1 ILE 12 -23.122 3.902 1.523 45 3HD1 ILE 12 3HD1 ILE 12 -21.720 3.279 2.393 46 H ARG 13 H ARG 13 -20.563 4.485 -1.580 47 HA ARG 13 HA ARG 13 -19.880 2.985 -3.992 48 1HB ARG 13 2HB ARG 13 -20.589 5.916 -3.921 49 2HB ARG 13 1HB ARG 13 -19.671 5.191 -5.233 50 1HG ARG 13 2HG ARG 13 -21.495 3.799 -5.850 51 2HG ARG 13 1HG ARG 13 -22.395 4.237 -4.399 52 1HD ARG 13 2HD ARG 13 -23.245 5.412 -6.367 53 2HD ARG 13 1HD ARG 13 -22.571 6.535 -5.187 54 HE ARG 13 HE ARG 13 -20.626 5.798 -7.118 55 1HH1 ARG 13 1HH1 ARG 13 -23.441 7.799 -6.656 56 2HH1 ARG 13 2HH1 ARG 13 -22.971 8.959 -7.853 57 1HH2 ARG 13 1HH2 ARG 13 -19.999 7.320 -8.694 58 2HH2 ARG 13 2HH2 ARG 13 -21.015 8.686 -9.011 59 H ARG 14 H ARG 14 -17.751 3.192 -4.652 60 HA ARG 14 HA ARG 14 -15.987 4.869 -3.021 61 1HB ARG 14 2HB ARG 14 -15.670 1.903 -3.479 62 2HB ARG 14 1HB ARG 14 -14.374 2.935 -2.892 63 1HG ARG 14 2HG ARG 14 -17.008 2.806 -1.475 64 2HG ARG 14 1HG ARG 14 -15.749 1.603 -1.188 65 1HD ARG 14 2HD ARG 14 -15.570 3.334 0.471 66 2HD ARG 14 1HD ARG 14 -14.187 3.437 -0.615 67 HE ARG 14 HE ARG 14 -16.327 5.150 -1.416 68 1HH1 ARG 14 1HH1 ARG 14 -13.625 4.855 0.761 69 2HH1 ARG 14 2HH1 ARG 14 -13.402 6.565 0.921 70 1HH2 ARG 14 1HH2 ARG 14 -16.042 7.402 -1.212 71 2HH2 ARG 14 2HH2 ARG 14 -14.778 8.013 -0.199 72 HA PRO 15 HA PRO 15 -14.392 5.564 -7.141 73 1HB PRO 15 2HB PRO 15 -12.582 7.447 -6.547 74 2HB PRO 15 1HB PRO 15 -14.318 7.776 -6.466 75 1HG PRO 15 2HG PRO 15 -12.401 7.167 -4.254 76 2HG PRO 15 1HG PRO 15 -13.704 8.365 -4.306 77 1HD PRO 15 2HD PRO 15 -13.915 5.905 -3.097 78 2HD PRO 15 1HD PRO 15 -15.294 6.834 -3.713 79 H PHE 16 H PHE 16 -12.190 5.050 -4.399 80 HA PHE 16 HA PHE 16 -10.352 3.668 -6.243 81 1HB PHE 16 2HB PHE 16 -9.724 5.321 -3.795 82 2HB PHE 16 1HB PHE 16 -8.547 4.273 -4.581 83 HD1 PHE 16 HD1 PHE 16 -10.569 7.318 -4.935 84 HD2 PHE 16 HD2 PHE 16 -7.522 4.886 -6.645 85 HE1 PHE 16 HE1 PHE 16 -9.998 9.135 -6.493 86 HE2 PHE 16 HE2 PHE 16 -6.946 6.701 -8.206 87 HZ PHE 16 HZ PHE 16 -8.186 8.828 -8.131 88 H SER 17 H SER 17 -8.952 2.039 -5.134 89 HA SER 17 HA SER 17 -9.872 0.847 -2.698 90 1HB SER 17 2HB SER 17 -11.625 0.004 -4.172 91 2HB SER 17 1HB SER 17 -10.414 -0.583 -5.314 92 HG SER 17 HG SER 17 -9.694 -2.020 -3.700 93 H VAL 18 H VAL 18 -8.698 -1.333 -2.369 94 HA VAL 18 HA VAL 18 -5.991 -0.998 -2.377 95 HB VAL 18 HB VAL 18 -7.095 -2.766 -1.105 96 1HG1 VAL 18 1HG1 VAL 18 -7.760 -4.864 -2.180 97 2HG1 VAL 18 2HG1 VAL 18 -8.707 -3.499 -2.773 98 3HG1 VAL 18 3HG1 VAL 18 -7.404 -4.164 -3.760 99 1HG2 VAL 18 1HG2 VAL 18 -4.977 -3.825 -2.976 100 2HG2 VAL 18 2HG2 VAL 18 -4.694 -2.937 -1.479 101 3HG2 VAL 18 3HG2 VAL 18 -5.432 -4.538 -1.429 102 H ALA 19 H ALA 19 -7.964 -2.322 -4.973 103 HA ALA 19 HA ALA 19 -5.960 -3.402 -6.583 104 1HB ALA 19 1HB ALA 19 -8.343 -3.760 -6.991 105 2HB ALA 19 2HB ALA 19 -8.521 -2.069 -7.457 106 3HB ALA 19 3HB ALA 19 -7.533 -3.152 -8.436 107 H GLU 20 H GLU 20 -7.295 -0.109 -6.527 108 HA GLU 20 HA GLU 20 -5.583 0.870 -8.584 109 1HB GLU 20 2HB GLU 20 -7.259 2.262 -6.494 110 2HB GLU 20 1HB GLU 20 -6.327 3.129 -7.706 111 1HG GLU 20 2HG GLU 20 -8.607 2.973 -8.421 112 2HG GLU 20 1HG GLU 20 -7.603 1.972 -9.469 113 H VAL 21 H VAL 21 -5.409 0.678 -5.093 114 HA VAL 21 HA VAL 21 -3.320 2.440 -4.587 115 HB VAL 21 HB VAL 21 -3.872 -0.187 -3.193 116 1HG1 VAL 21 1HG1 VAL 21 -2.719 0.832 -1.280 117 2HG1 VAL 21 2HG1 VAL 21 -1.653 0.657 -2.673 118 3HG1 VAL 21 3HG1 VAL 21 -2.330 2.236 -2.272 119 1HG2 VAL 21 1HG2 VAL 21 -5.146 1.157 -1.598 120 2HG2 VAL 21 2HG2 VAL 21 -4.847 2.599 -2.568 121 3HG2 VAL 21 3HG2 VAL 21 -5.821 1.284 -3.222 122 H GLU 22 H GLU 22 -3.282 -0.850 -5.819 123 HA GLU 22 HA GLU 22 -0.621 -1.529 -5.522 124 1HB GLU 22 2HB GLU 22 -2.500 -2.936 -6.495 125 2HB GLU 22 1HB GLU 22 -2.224 -2.101 -8.016 126 1HG GLU 22 2HG GLU 22 -0.079 -3.624 -6.566 127 2HG GLU 22 1HG GLU 22 -1.136 -4.351 -7.774 128 H ALA 23 H ALA 23 -2.096 0.122 -8.317 129 HA ALA 23 HA ALA 23 0.260 0.644 -9.716 130 1HB ALA 23 1HB ALA 23 -0.992 2.093 -11.050 131 2HB ALA 23 2HB ALA 23 -2.190 0.953 -10.443 132 3HB ALA 23 3HB ALA 23 -2.052 2.554 -9.719 133 H LEU 24 H LEU 24 -1.429 2.530 -7.254 134 HA LEU 24 HA LEU 24 0.179 4.810 -7.286 135 1HB LEU 24 2HB LEU 24 -1.971 4.625 -6.082 136 2HB LEU 24 1HB LEU 24 -1.214 3.558 -4.916 137 HG LEU 24 HG LEU 24 0.277 5.386 -4.209 138 1HD1 LEU 24 1HD1 LEU 24 -0.165 7.671 -4.972 139 2HD1 LEU 24 2HD1 LEU 24 -1.335 7.053 -6.137 140 3HD1 LEU 24 3HD1 LEU 24 0.371 6.634 -6.293 141 1HD2 LEU 24 1HD2 LEU 24 -1.401 6.707 -3.050 142 2HD2 LEU 24 2HD2 LEU 24 -1.857 5.002 -3.061 143 3HD2 LEU 24 3HD2 LEU 24 -2.644 6.132 -4.162 144 H VAL 25 H VAL 25 0.680 1.662 -5.854 145 HA VAL 25 HA VAL 25 2.852 2.383 -4.168 146 HB VAL 25 HB VAL 25 2.039 -0.287 -5.324 147 1HG1 VAL 25 1HG1 VAL 25 3.562 -1.244 -3.577 148 2HG1 VAL 25 2HG1 VAL 25 4.382 -0.449 -4.922 149 3HG1 VAL 25 3HG1 VAL 25 4.232 0.374 -3.372 150 1HG2 VAL 25 1HG2 VAL 25 1.330 -0.733 -2.997 151 2HG2 VAL 25 2HG2 VAL 25 1.735 0.933 -2.584 152 3HG2 VAL 25 3HG2 VAL 25 0.449 0.598 -3.742 153 H GLN 26 H GLN 26 2.615 1.112 -7.462 154 HA GLN 26 HA GLN 26 5.401 0.846 -7.889 155 1HB GLN 26 2HB GLN 26 3.683 -0.278 -9.272 156 2HB GLN 26 1HB GLN 26 3.206 1.283 -9.925 157 1HG GLN 26 2HG GLN 26 5.425 1.557 -10.904 158 2HG GLN 26 1HG GLN 26 5.909 -0.004 -10.244 159 1HE2 GLN 26 1HE2 GLN 26 3.985 1.632 -12.628 160 2HE2 GLN 26 2HE2 GLN 26 3.646 0.247 -13.603 161 H ALA 27 H ALA 27 3.298 3.542 -7.818 162 HA ALA 27 HA ALA 27 5.040 5.255 -9.385 163 1HB ALA 27 1HB ALA 27 2.536 5.934 -7.851 164 2HB ALA 27 2HB ALA 27 3.380 6.983 -8.990 165 3HB ALA 27 3HB ALA 27 2.610 5.502 -9.559 166 H VAL 28 H VAL 28 4.214 4.719 -5.999 167 HA VAL 28 HA VAL 28 5.771 7.000 -5.120 168 HB VAL 28 HB VAL 28 5.152 6.327 -2.848 169 1HG1 VAL 28 1HG1 VAL 28 2.723 6.656 -3.066 170 2HG1 VAL 28 2HG1 VAL 28 3.644 7.762 -4.086 171 3HG1 VAL 28 3HG1 VAL 28 2.854 6.358 -4.800 172 1HG2 VAL 28 1HG2 VAL 28 3.588 4.447 -2.517 173 2HG2 VAL 28 2HG2 VAL 28 3.799 4.000 -4.210 174 3HG2 VAL 28 3HG2 VAL 28 5.167 3.920 -3.101 175 H GLU 29 H GLU 29 6.371 3.671 -5.707 176 HA GLU 29 HA GLU 29 8.297 3.100 -3.770 177 1HB GLU 29 2HB GLU 29 9.216 1.493 -5.521 178 2HB GLU 29 1HB GLU 29 7.538 1.281 -5.041 179 1HG GLU 29 2HG GLU 29 6.733 2.159 -7.044 180 2HG GLU 29 1HG GLU 29 8.285 2.881 -7.460 181 H LYS 30 H LYS 30 8.467 5.447 -6.178 182 HA LYS 30 HA LYS 30 11.393 5.332 -6.301 183 1HB LYS 30 2HB LYS 30 11.150 7.069 -8.082 184 2HB LYS 30 1HB LYS 30 10.385 5.530 -8.458 185 1HG LYS 30 2HG LYS 30 8.217 6.421 -7.947 186 2HG LYS 30 1HG LYS 30 8.929 7.932 -7.382 187 1HD LYS 30 2HD LYS 30 9.784 8.366 -9.638 188 2HD LYS 30 1HD LYS 30 9.063 6.854 -10.199 189 1HE LYS 30 2HE LYS 30 6.843 7.702 -9.616 190 2HE LYS 30 1HE LYS 30 7.564 9.209 -9.052 191 1HZ LYS 30 1HZ LYS 30 8.363 9.621 -11.295 192 2HZ LYS 30 2HZ LYS 30 6.683 9.433 -11.287 193 3HZ LYS 30 3HZ LYS 30 7.671 8.174 -11.835 194 H LEU 31 H LEU 31 8.781 7.652 -5.575 195 HA LEU 31 HA LEU 31 10.762 9.237 -4.073 196 1HB LEU 31 2HB LEU 31 9.132 11.162 -4.486 197 2HB LEU 31 1HB LEU 31 10.125 10.628 -5.827 198 HG LEU 31 HG LEU 31 8.095 9.219 -6.535 199 1HD1 LEU 31 1HD1 LEU 31 6.813 9.374 -4.492 200 2HD1 LEU 31 2HD1 LEU 31 5.925 10.122 -5.819 201 3HD1 LEU 31 3HD1 LEU 31 6.754 11.131 -4.634 202 1HD2 LEU 31 1HD2 LEU 31 7.964 12.228 -6.640 203 2HD2 LEU 31 2HD2 LEU 31 7.102 11.120 -7.708 204 3HD2 LEU 31 3HD2 LEU 31 8.865 11.187 -7.742 205 H GLY 32 H GLY 32 9.222 7.020 -3.041 206 1HA GLY 32 1HA GLY 32 6.995 7.986 -1.547 207 2HA GLY 32 2HA GLY 32 7.835 6.465 -1.287 208 H THR 33 H THR 33 7.079 7.430 0.948 209 HA THR 33 HA THR 33 9.514 8.375 2.220 210 HB THR 33 HB THR 33 6.916 9.884 2.578 211 HG1 THR 33 HG1 THR 33 7.651 10.897 0.862 212 1HG2 THR 33 1HG2 THR 33 8.266 11.409 3.953 213 2HG2 THR 33 2HG2 THR 33 9.661 10.349 3.751 214 3HG2 THR 33 3HG2 THR 33 8.242 9.779 4.627 215 H GLY 34 H GLY 34 6.168 7.304 2.511 216 1HA GLY 34 1HA GLY 34 6.714 5.309 4.389 217 2HA GLY 34 2HA GLY 34 6.200 6.735 5.276 218 H ARG 35 H ARG 35 4.983 6.033 2.088 219 HA ARG 35 HA ARG 35 2.845 5.830 1.340 220 1HB ARG 35 2HB ARG 35 1.895 3.781 3.089 221 2HB ARG 35 1HB ARG 35 2.403 3.651 1.414 222 1HG ARG 35 2HG ARG 35 3.973 2.278 2.181 223 2HG ARG 35 1HG ARG 35 4.792 3.732 2.746 224 1HD ARG 35 2HD ARG 35 3.698 3.512 4.918 225 2HD ARG 35 1HD ARG 35 2.853 2.072 4.351 226 HE ARG 35 HE ARG 35 5.362 1.324 3.980 227 1HH1 ARG 35 1HH1 ARG 35 3.925 2.986 6.685 228 2HH1 ARG 35 2HH1 ARG 35 5.024 2.316 7.844 229 1HH2 ARG 35 1HH2 ARG 35 6.814 0.441 5.498 230 2HH2 ARG 35 2HH2 ARG 35 6.667 0.871 7.169 231 H TRP 36 H TRP 36 3.196 7.728 3.535 232 HA TRP 36 HA TRP 36 1.044 7.564 5.355 233 1HB TRP 36 2HB TRP 36 2.345 10.088 4.308 234 2HB TRP 36 1HB TRP 36 1.472 9.898 5.824 235 HD1 TRP 36 HD1 TRP 36 4.885 9.534 4.301 236 HE1 TRP 36 HE1 TRP 36 6.558 8.762 6.097 237 HE3 TRP 36 HE3 TRP 36 1.588 8.355 8.025 238 HZ2 TRP 36 HZ2 TRP 36 6.489 7.783 8.744 239 HZ3 TRP 36 HZ3 TRP 36 2.473 7.506 10.159 240 HH2 TRP 36 HH2 TRP 36 4.873 7.226 10.510 241 H ARG 37 H ARG 37 1.412 9.258 2.260 242 HA ARG 37 HA ARG 37 -1.270 10.247 2.244 243 1HB ARG 37 2HB ARG 37 -0.774 10.847 -0.124 244 2HB ARG 37 1HB ARG 37 0.407 11.463 1.022 245 1HG ARG 37 2HG ARG 37 1.059 8.845 -0.128 246 2HG ARG 37 1HG ARG 37 1.014 10.179 -1.282 247 1HD ARG 37 2HD ARG 37 2.622 10.089 1.269 248 2HD ARG 37 1HD ARG 37 3.255 9.884 -0.363 249 HE ARG 37 HE ARG 37 2.053 12.297 -0.479 250 1HH1 ARG 37 1HH1 ARG 37 4.374 10.904 1.716 251 2HH1 ARG 37 2HH1 ARG 37 5.131 12.418 2.079 252 1HH2 ARG 37 1HH2 ARG 37 3.045 14.295 -0.006 253 2HH2 ARG 37 2HH2 ARG 37 4.376 14.345 1.102 254 H ASP 38 H ASP 38 0.283 7.327 1.221 255 HA ASP 38 HA ASP 38 -1.692 6.464 -0.629 256 1HB ASP 38 2HB ASP 38 0.565 5.504 -0.618 257 2HB ASP 38 1HB ASP 38 0.296 4.858 0.999 258 H VAL 39 H VAL 39 -1.022 5.455 2.720 259 HA VAL 39 HA VAL 39 -3.338 3.906 3.034 260 HB VAL 39 HB VAL 39 -2.938 4.059 5.438 261 1HG1 VAL 39 1HG1 VAL 39 -1.572 2.516 4.170 262 2HG1 VAL 39 2HG1 VAL 39 -0.406 3.793 3.825 263 3HG1 VAL 39 3HG1 VAL 39 -0.624 3.221 5.479 264 1HG2 VAL 39 1HG2 VAL 39 -0.876 6.149 4.742 265 2HG2 VAL 39 2HG2 VAL 39 -2.412 6.446 5.558 266 3HG2 VAL 39 3HG2 VAL 39 -1.169 5.473 6.344 267 H LYS 40 H LYS 40 -2.764 7.320 3.220 268 HA LYS 40 HA LYS 40 -5.027 8.089 4.706 269 1HB LYS 40 2HB LYS 40 -3.124 9.442 2.868 270 2HB LYS 40 1HB LYS 40 -4.651 10.254 3.181 271 1HG LYS 40 2HG LYS 40 -2.813 9.302 5.361 272 2HG LYS 40 1HG LYS 40 -2.737 10.918 4.659 273 1HD LYS 40 2HD LYS 40 -5.203 9.736 5.930 274 2HD LYS 40 1HD LYS 40 -4.057 10.777 6.774 275 1HE LYS 40 2HE LYS 40 -4.495 12.561 5.152 276 2HE LYS 40 1HE LYS 40 -5.644 11.518 4.316 277 1HZ LYS 40 1HZ LYS 40 -6.765 13.057 5.798 278 2HZ LYS 40 2HZ LYS 40 -5.892 12.466 7.120 279 3HZ LYS 40 3HZ LYS 40 -6.995 11.465 6.319 280 H LEU 41 H LEU 41 -4.518 7.950 1.168 281 HA LEU 41 HA LEU 41 -7.447 8.081 0.872 282 1HB LEU 41 2HB LEU 41 -5.313 8.886 -1.105 283 2HB LEU 41 1HB LEU 41 -7.041 8.959 -1.392 284 HG LEU 41 HG LEU 41 -5.579 10.550 0.719 285 1HD1 LEU 41 1HD1 LEU 41 -5.983 12.470 -0.738 286 2HD1 LEU 41 2HD1 LEU 41 -6.663 11.400 -1.964 287 3HD1 LEU 41 3HD1 LEU 41 -4.961 11.268 -1.524 288 1HD2 LEU 41 1HD2 LEU 41 -7.893 10.081 1.316 289 2HD2 LEU 41 2HD2 LEU 41 -8.432 10.675 -0.255 290 3HD2 LEU 41 3HD2 LEU 41 -7.688 11.783 0.899 291 H CYS 42 H CYS 42 -5.711 5.661 1.281 292 HA CYS 42 HA CYS 42 -5.439 4.222 -1.103 293 1HB CYS 42 2HB CYS 42 -5.529 2.195 0.329 294 2HB CYS 42 1HB CYS 42 -4.443 3.423 0.966 295 HG CYS 42 HG CYS 42 -7.191 4.126 2.402 296 H ALA 43 H ALA 43 -8.121 4.451 1.166 297 HA ALA 43 HA ALA 43 -10.182 4.374 -0.696 298 1HB ALA 43 1HB ALA 43 -9.607 1.662 0.498 299 2HB ALA 43 2HB ALA 43 -11.046 2.088 -0.429 300 3HB ALA 43 3HB ALA 43 -9.461 2.102 -1.203 301 H PHE 44 H PHE 44 -9.291 5.420 1.962 302 HA PHE 44 HA PHE 44 -10.247 6.157 3.884 303 1HB PHE 44 2HB PHE 44 -12.300 6.399 2.370 304 2HB PHE 44 1HB PHE 44 -12.819 4.834 2.986 305 HD1 PHE 44 HD1 PHE 44 -11.756 8.199 4.182 306 HD2 PHE 44 HD2 PHE 44 -14.156 4.750 4.860 307 HE1 PHE 44 HE1 PHE 44 -12.798 9.311 6.112 308 HE2 PHE 44 HE2 PHE 44 -15.205 5.856 6.792 309 HZ PHE 44 HZ PHE 44 -14.525 8.145 7.418 310 H GLU 45 H GLU 45 -9.204 3.441 3.200 311 HA GLU 45 HA GLU 45 -10.468 1.685 5.104 312 1HB GLU 45 2HB GLU 45 -9.583 0.900 2.907 313 2HB GLU 45 1HB GLU 45 -7.961 1.255 3.479 314 1HG GLU 45 2HG GLU 45 -8.482 -1.111 3.651 315 2HG GLU 45 1HG GLU 45 -8.191 -0.393 5.235 316 H ASP 46 H ASP 46 -7.204 3.028 4.647 317 HA ASP 46 HA ASP 46 -6.605 2.437 7.453 318 1HB ASP 46 2HB ASP 46 -4.790 3.341 5.207 319 2HB ASP 46 1HB ASP 46 -4.266 2.961 6.847 320 H ALA 47 H ALA 47 -8.268 4.724 6.235 321 HA ALA 47 HA ALA 47 -6.929 7.149 6.677 322 1HB ALA 47 1HB ALA 47 -9.878 6.582 6.949 323 2HB ALA 47 2HB ALA 47 -9.137 8.169 6.746 324 3HB ALA 47 3HB ALA 47 -9.040 6.978 5.449 325 H ASP 48 H ASP 48 -7.655 4.789 8.903 326 HA ASP 48 HA ASP 48 -8.088 6.645 11.121 327 1HB ASP 48 2HB ASP 48 -9.490 4.631 11.043 328 2HB ASP 48 1HB ASP 48 -8.049 3.617 11.063 329 H HIS 49 H HIS 49 -5.655 4.677 9.662 330 HA HIS 49 HA HIS 49 -3.462 4.287 10.113 331 1HB HIS 49 2HB HIS 49 -3.652 6.838 11.725 332 2HB HIS 49 1HB HIS 49 -2.190 6.122 11.057 333 HD1 HIS 49 HD1 HIS 49 -1.527 6.877 8.779 334 HD2 HIS 49 HD2 HIS 49 -5.485 7.790 9.651 335 HE1 HIS 49 HE1 HIS 49 -2.330 8.286 6.858 336 HE2 HIS 49 HE2 HIS 49 -4.764 8.714 7.347 337 H ARG 50 H ARG 50 -3.525 2.432 11.319 338 HA ARG 50 HA ARG 50 -4.155 2.393 14.096 339 1HB ARG 50 2HB ARG 50 -2.790 0.356 12.331 340 2HB ARG 50 1HB ARG 50 -3.242 0.058 14.004 341 1HG ARG 50 2HG ARG 50 -5.177 0.797 11.818 342 2HG ARG 50 1HG ARG 50 -4.849 -0.850 12.362 343 1HD ARG 50 2HD ARG 50 -5.596 -0.243 14.619 344 2HD ARG 50 1HD ARG 50 -5.940 1.394 14.058 345 HE ARG 50 HE ARG 50 -7.368 -0.303 12.412 346 1HH1 ARG 50 1HH1 ARG 50 -7.245 0.444 15.815 347 2HH1 ARG 50 2HH1 ARG 50 -8.917 0.080 16.085 348 1HH2 ARG 50 1HH2 ARG 50 -9.570 -0.784 12.761 349 2HH2 ARG 50 2HH2 ARG 50 -10.238 -0.618 14.351 350 H THR 51 H THR 51 -1.105 1.116 12.830 351 HA THR 51 HA THR 51 0.435 2.949 14.492 352 HB THR 51 HB THR 51 1.714 1.112 15.554 353 HG1 THR 51 HG1 THR 51 -0.105 -0.845 15.315 354 1HG2 THR 51 1HG2 THR 51 0.027 0.486 17.219 355 2HG2 THR 51 2HG2 THR 51 -1.249 1.044 16.136 356 3HG2 THR 51 3HG2 THR 51 -0.090 2.195 16.800 357 H TYR 52 H TYR 52 2.891 2.169 14.286 358 HA TYR 52 HA TYR 52 3.574 2.516 11.604 359 1HB TYR 52 2HB TYR 52 5.866 2.228 12.260 360 2HB TYR 52 1HB TYR 52 5.030 3.140 13.503 361 HD1 TYR 52 HD1 TYR 52 3.833 1.126 15.227 362 HD2 TYR 52 HD2 TYR 52 7.577 1.047 13.202 363 HE1 TYR 52 HE1 TYR 52 4.715 -0.399 16.933 364 HE2 TYR 52 HE2 TYR 52 8.466 -0.487 14.903 365 HH TYR 52 HH TYR 52 8.017 -1.103 17.242 366 H VAL 53 H VAL 53 3.605 -0.481 13.549 367 HA VAL 53 HA VAL 53 4.486 -2.038 11.291 368 HB VAL 53 HB VAL 53 3.458 -2.941 13.985 369 1HG1 VAL 53 1HG1 VAL 53 4.414 -5.128 13.395 370 2HG1 VAL 53 2HG1 VAL 53 3.106 -4.670 12.303 371 3HG1 VAL 53 3HG1 VAL 53 4.784 -4.522 11.779 372 1HG2 VAL 53 1HG2 VAL 53 6.275 -2.886 12.917 373 2HG2 VAL 53 2HG2 VAL 53 5.587 -1.651 13.970 374 3HG2 VAL 53 3HG2 VAL 53 5.758 -3.308 14.549 375 H ASP 54 H ASP 54 1.408 -1.507 12.974 376 HA ASP 54 HA ASP 54 -0.080 -3.444 11.575 377 1HB ASP 54 2HB ASP 54 -0.845 -0.903 12.996 378 2HB ASP 54 1HB ASP 54 -2.052 -1.878 12.161 379 H LEU 55 H LEU 55 0.558 -0.035 10.902 380 HA LEU 55 HA LEU 55 -1.056 0.147 8.592 381 1HB LEU 55 2HB LEU 55 -0.289 2.112 9.825 382 2HB LEU 55 1HB LEU 55 1.372 1.748 9.409 383 HG LEU 55 HG LEU 55 -0.594 2.209 7.205 384 1HD1 LEU 55 1HD1 LEU 55 0.655 4.344 8.921 385 2HD1 LEU 55 2HD1 LEU 55 -1.062 4.071 8.623 386 3HD1 LEU 55 3HD1 LEU 55 -0.018 4.636 7.319 387 1HD2 LEU 55 1HD2 LEU 55 1.630 1.504 6.592 388 2HD2 LEU 55 2HD2 LEU 55 2.344 2.775 7.584 389 3HD2 LEU 55 3HD2 LEU 55 1.416 3.197 6.143 390 H LYS 56 H LYS 56 2.461 -0.333 8.986 391 HA LYS 56 HA LYS 56 2.979 -0.670 6.236 392 1HB LYS 56 2HB LYS 56 5.153 -1.279 6.838 393 2HB LYS 56 1HB LYS 56 4.648 -0.239 8.161 394 1HG LYS 56 2HG LYS 56 5.508 -1.915 9.398 395 2HG LYS 56 1HG LYS 56 3.900 -2.598 9.161 396 1HD LYS 56 2HD LYS 56 4.679 -3.959 7.341 397 2HD LYS 56 1HD LYS 56 6.261 -3.177 7.379 398 1HE LYS 56 2HE LYS 56 5.065 -4.845 9.589 399 2HE LYS 56 1HE LYS 56 6.298 -5.386 8.451 400 1HZ LYS 56 1HZ LYS 56 6.601 -3.169 10.405 401 2HZ LYS 56 2HZ LYS 56 7.785 -3.685 9.313 402 3HZ LYS 56 3HZ LYS 56 7.273 -4.715 10.553 403 H ASP 57 H ASP 57 1.585 -2.721 8.600 404 HA ASP 57 HA ASP 57 2.168 -5.230 7.425 405 1HB ASP 57 2HB ASP 57 1.325 -4.896 9.770 406 2HB ASP 57 1HB ASP 57 -0.251 -4.508 9.092 407 H LYS 58 H LYS 58 -0.670 -3.107 7.295 408 HA LYS 58 HA LYS 58 -2.134 -4.609 5.428 409 1HB LYS 58 2HB LYS 58 -2.166 -1.624 5.924 410 2HB LYS 58 1HB LYS 58 -3.387 -2.513 5.024 411 1HG LYS 58 2HG LYS 58 -2.725 -2.963 7.926 412 2HG LYS 58 1HG LYS 58 -4.070 -1.988 7.330 413 1HD LYS 58 2HD LYS 58 -5.001 -3.960 6.214 414 2HD LYS 58 1HD LYS 58 -3.657 -4.933 6.814 415 1HE LYS 58 2HE LYS 58 -4.346 -4.463 9.115 416 2HE LYS 58 1HE LYS 58 -5.690 -3.494 8.514 417 1HZ LYS 58 1HZ LYS 58 -6.594 -5.467 7.455 418 2HZ LYS 58 2HZ LYS 58 -6.408 -5.716 9.118 419 3HZ LYS 58 3HZ LYS 58 -5.305 -6.399 8.032 420 H TRP 59 H TRP 59 0.547 -2.461 5.130 421 HA TRP 59 HA TRP 59 0.285 -1.984 2.309 422 1HB TRP 59 2HB TRP 59 1.481 -0.287 3.306 423 2HB TRP 59 1HB TRP 59 2.265 -1.364 4.451 424 HD1 TRP 59 HD1 TRP 59 4.482 -2.636 3.614 425 HE1 TRP 59 HE1 TRP 59 6.182 -2.031 1.773 426 HE3 TRP 59 HE3 TRP 59 1.676 0.742 0.999 427 HZ2 TRP 59 HZ2 TRP 59 6.308 -0.349 -0.494 428 HZ3 TRP 59 HZ3 TRP 59 2.656 1.801 -0.992 429 HH2 TRP 59 HH2 TRP 59 4.924 1.266 -1.722 430 H LYS 60 H LYS 60 2.343 -4.024 4.346 431 HA LYS 60 HA LYS 60 3.824 -5.281 2.348 432 1HB LYS 60 2HB LYS 60 4.424 -5.476 4.690 433 2HB LYS 60 1HB LYS 60 2.920 -6.316 5.042 434 1HG LYS 60 2HG LYS 60 3.805 -8.038 3.292 435 2HG LYS 60 1HG LYS 60 5.367 -7.307 3.660 436 1HD LYS 60 2HD LYS 60 5.268 -9.052 5.178 437 2HD LYS 60 1HD LYS 60 4.676 -7.690 6.132 438 1HE LYS 60 2HE LYS 60 2.915 -9.666 4.687 439 2HE LYS 60 1HE LYS 60 3.329 -9.761 6.397 440 1HZ LYS 60 1HZ LYS 60 1.826 -7.573 5.067 441 2HZ LYS 60 2HZ LYS 60 2.294 -7.569 6.692 442 3HZ LYS 60 3HZ LYS 60 1.195 -8.726 6.133 443 H THR 61 H THR 61 0.607 -5.889 3.567 444 HA THR 61 HA THR 61 0.310 -8.387 2.125 445 HB THR 61 HB THR 61 -1.810 -6.745 3.534 446 HG1 THR 61 HG1 THR 61 -1.225 -7.740 5.340 447 1HG2 THR 61 1HG2 THR 61 -1.781 -9.637 2.664 448 2HG2 THR 61 2HG2 THR 61 -2.728 -8.344 1.930 449 3HG2 THR 61 3HG2 THR 61 -3.066 -8.855 3.584 450 H LEU 62 H LEU 62 -0.311 -5.033 1.707 451 HA LEU 62 HA LEU 62 -2.234 -5.120 -0.337 452 1HB LEU 62 2HB LEU 62 -2.062 -3.017 0.492 453 2HB LEU 62 1HB LEU 62 -0.346 -3.160 0.796 454 HG LEU 62 HG LEU 62 -0.030 -2.888 -1.721 455 1HD1 LEU 62 1HD1 LEU 62 -2.876 -1.924 -1.487 456 2HD1 LEU 62 2HD1 LEU 62 -2.333 -3.343 -2.381 457 3HD1 LEU 62 3HD1 LEU 62 -1.832 -1.733 -2.895 458 1HD2 LEU 62 1HD2 LEU 62 -0.180 -0.455 -1.542 459 2HD2 LEU 62 2HD2 LEU 62 0.505 -1.171 -0.082 460 3HD2 LEU 62 3HD2 LEU 62 -1.172 -0.623 -0.094 461 H VAL 63 H VAL 63 1.271 -5.355 -0.334 462 HA VAL 63 HA VAL 63 1.381 -5.458 -3.240 463 HB VAL 63 HB VAL 63 3.835 -5.775 -2.900 464 1HG1 VAL 63 1HG1 VAL 63 2.903 -3.555 -3.251 465 2HG1 VAL 63 2HG1 VAL 63 2.608 -3.389 -1.521 466 3HG1 VAL 63 3HG1 VAL 63 4.261 -3.487 -2.128 467 1HG2 VAL 63 1HG2 VAL 63 3.126 -5.402 0.008 468 2HG2 VAL 63 2HG2 VAL 63 3.798 -6.857 -0.728 469 3HG2 VAL 63 3HG2 VAL 63 4.759 -5.381 -0.654 470 H HIS 64 H HIS 64 1.942 -7.576 -0.456 471 HA HIS 64 HA HIS 64 2.797 -9.871 -1.728 472 1HB HIS 64 2HB HIS 64 2.877 -9.992 0.583 473 2HB HIS 64 1HB HIS 64 1.266 -9.318 0.780 474 HD1 HIS 64 HD1 HIS 64 3.069 -12.544 0.216 475 HD2 HIS 64 HD2 HIS 64 -0.822 -11.184 0.743 476 HE1 HIS 64 HE1 HIS 64 1.689 -14.601 0.649 477 HE2 HIS 64 HE2 HIS 64 -0.645 -13.744 1.050 478 H THR 65 H THR 65 -0.457 -8.589 -1.409 479 HA THR 65 HA THR 65 -1.644 -10.935 -2.649 480 HB THR 65 HB THR 65 -3.001 -8.343 -1.889 481 HG1 THR 65 HG1 THR 65 -2.357 -10.654 -0.394 482 1HG2 THR 65 1HG2 THR 65 -5.027 -9.742 -1.835 483 2HG2 THR 65 2HG2 THR 65 -4.079 -11.119 -2.394 484 3HG2 THR 65 3HG2 THR 65 -4.291 -9.711 -3.436 485 H ALA 66 H ALA 66 -0.349 -7.928 -3.620 486 HA ALA 66 HA ALA 66 -1.883 -7.180 -5.789 487 1HB ALA 66 1HB ALA 66 0.098 -6.094 -6.671 488 2HB ALA 66 2HB ALA 66 0.008 -5.878 -4.923 489 3HB ALA 66 3HB ALA 66 1.123 -7.058 -5.609 490 H LYS 67 H LYS 67 1.218 -8.849 -6.308 491 HA LYS 67 HA LYS 67 0.020 -10.895 -7.926 492 1HB LYS 67 2HB LYS 67 0.080 -8.794 -9.382 493 2HB LYS 67 1HB LYS 67 1.829 -8.964 -9.369 494 1HG LYS 67 2HG LYS 67 1.619 -11.182 -10.381 495 2HG LYS 67 1HG LYS 67 -0.134 -10.999 -10.405 496 1HD LYS 67 2HD LYS 67 1.634 -8.972 -11.726 497 2HD LYS 67 1HD LYS 67 1.214 -10.475 -12.550 498 1HE LYS 67 2HE LYS 67 -0.342 -8.782 -13.224 499 2HE LYS 67 1HE LYS 67 -1.185 -9.931 -12.187 500 1HZ LYS 67 1HZ LYS 67 -0.083 -7.342 -11.244 501 2HZ LYS 67 2HZ LYS 67 -1.067 -8.407 -10.372 502 3HZ LYS 67 3HZ LYS 67 -1.695 -7.576 -11.704 503 H ILE 68 H ILE 68 1.981 -10.364 -5.678 504 HA ILE 68 HA ILE 68 4.585 -11.024 -6.440 505 HB ILE 68 HB ILE 68 3.145 -11.651 -3.858 506 1HG1 ILE 68 2HG1 ILE 68 3.255 -9.259 -4.405 507 2HG1 ILE 68 1HG1 ILE 68 4.260 -9.644 -3.012 508 1HG2 ILE 68 1HG2 ILE 68 6.094 -11.713 -4.487 509 2HG2 ILE 68 2HG2 ILE 68 5.075 -13.090 -4.066 510 3HG2 ILE 68 3HG2 ILE 68 5.400 -11.836 -2.871 511 1HD1 ILE 68 1HD1 ILE 68 6.243 -9.591 -4.432 512 2HD1 ILE 68 2HD1 ILE 68 5.359 -8.067 -4.493 513 3HD1 ILE 68 3HD1 ILE 68 5.234 -9.212 -5.828 514 H SER 69 H SER 69 1.747 -12.993 -6.125 515 HA SER 69 HA SER 69 1.332 -15.205 -6.460 516 1HB SER 69 2HB SER 69 3.874 -15.014 -8.095 517 2HB SER 69 1HB SER 69 2.716 -16.342 -8.168 518 HG SER 69 HG SER 69 1.288 -15.071 -9.163 519 HA PRO 70 HA PRO 70 4.395 -16.504 -3.222 520 1HB PRO 70 2HB PRO 70 2.135 -16.966 -1.478 521 2HB PRO 70 1HB PRO 70 3.462 -15.818 -1.282 522 1HG PRO 70 2HG PRO 70 0.875 -15.076 -1.768 523 2HG PRO 70 1HG PRO 70 2.283 -14.101 -2.222 524 1HD PRO 70 2HD PRO 70 0.602 -15.911 -3.914 525 2HD PRO 70 1HD PRO 70 1.292 -14.320 -4.303 526 H GLN 71 H GLN 71 1.131 -17.922 -3.030 527 HA GLN 71 HA GLN 71 2.264 -20.585 -2.953 528 1HB GLN 71 2HB GLN 71 -0.616 -19.670 -2.871 529 2HB GLN 71 1HB GLN 71 -0.062 -21.316 -2.594 530 1HG GLN 71 2HG GLN 71 1.173 -20.579 -0.628 531 2HG GLN 71 1HG GLN 71 0.642 -18.921 -0.911 532 1HE2 GLN 71 1HE2 GLN 71 -1.499 -18.364 -0.515 533 2HE2 GLN 71 2HE2 GLN 71 -2.548 -19.358 0.431 534 H GLN 72 H GLN 72 1.511 -18.500 -5.381 535 HA GLN 72 HA GLN 72 0.266 -20.358 -7.200 536 1HB GLN 72 2HB GLN 72 1.487 -17.637 -7.703 537 2HB GLN 72 1HB GLN 72 0.534 -18.554 -8.860 538 1HG GLN 72 2HG GLN 72 -0.445 -17.498 -6.217 539 2HG GLN 72 1HG GLN 72 -0.779 -16.799 -7.802 540 1HE2 GLN 72 1HE2 GLN 72 -1.445 -19.417 -5.620 541 2HE2 GLN 72 2HE2 GLN 72 -2.823 -20.037 -6.459 542 H ARG 73 H ARG 73 3.251 -20.280 -5.980 543 HA ARG 73 HA ARG 73 4.448 -21.353 -8.446 544 1HB ARG 73 2HB ARG 73 5.865 -19.695 -6.352 545 2HB ARG 73 1HB ARG 73 6.616 -20.424 -7.763 546 1HG ARG 73 2HG ARG 73 5.269 -19.022 -9.225 547 2HG ARG 73 1HG ARG 73 4.475 -18.307 -7.820 548 1HD ARG 73 2HD ARG 73 6.643 -17.457 -7.045 549 2HD ARG 73 1HD ARG 73 7.418 -18.152 -8.467 550 HE ARG 73 HE ARG 73 5.386 -16.495 -9.376 551 1HH1 ARG 73 1HH1 ARG 73 8.358 -16.198 -7.579 552 2HH1 ARG 73 2HH1 ARG 73 8.673 -14.584 -8.119 553 1HH2 ARG 73 1HH2 ARG 73 5.795 -14.369 -10.090 554 2HH2 ARG 73 2HH2 ARG 73 7.217 -13.543 -9.545 555 H ARG 74 H ARG 74 6.542 -22.621 -7.824 556 HA ARG 74 HA ARG 74 5.757 -24.500 -5.720 557 1HB ARG 74 2HB ARG 74 7.385 -26.031 -6.772 558 2HB ARG 74 1HB ARG 74 6.156 -25.483 -7.904 559 1HG ARG 74 2HG ARG 74 7.720 -23.876 -8.848 560 2HG ARG 74 1HG ARG 74 8.953 -24.387 -7.695 561 1HD ARG 74 2HD ARG 74 9.289 -25.432 -9.878 562 2HD ARG 74 1HD ARG 74 8.924 -26.633 -8.640 563 HE ARG 74 HE ARG 74 6.561 -25.811 -9.975 564 1HH1 ARG 74 1HH1 ARG 74 9.411 -27.779 -10.375 565 2HH1 ARG 74 2HH1 ARG 74 8.659 -28.866 -11.496 566 1HH2 ARG 74 1HH2 ARG 74 5.565 -27.237 -11.449 567 2HH2 ARG 74 2HH2 ARG 74 6.475 -28.557 -12.106 568 H GLY 75 H GLY 75 7.443 -25.419 -4.330 569 1HA GLY 75 1HA GLY 75 9.209 -25.244 -2.870 570 2HA GLY 75 2HA GLY 75 9.976 -24.173 -4.033 571 H GLU 76 H GLU 76 10.715 -23.104 -2.035 572 HA GLU 76 HA GLU 76 10.708 -21.320 -0.636 573 1HB GLU 76 2HB GLU 76 9.812 -20.112 -2.581 574 2HB GLU 76 1HB GLU 76 8.179 -20.556 -2.105 575 1HG GLU 76 2HG GLU 76 8.429 -19.283 -0.039 576 2HG GLU 76 1HG GLU 76 10.070 -18.839 -0.513 577 HA PRO 77 HA PRO 77 8.091 -23.082 2.563 578 1HB PRO 77 2HB PRO 77 9.539 -21.315 4.394 579 2HB PRO 77 1HB PRO 77 9.509 -23.074 4.334 580 1HG PRO 77 2HG PRO 77 11.695 -21.646 3.650 581 2HG PRO 77 1HG PRO 77 11.288 -23.190 2.878 582 1HD PRO 77 2HD PRO 77 10.851 -20.398 1.877 583 2HD PRO 77 1HD PRO 77 11.422 -21.832 0.998 584 H VAL 78 H VAL 78 8.985 -19.823 3.609 585 HA VAL 78 HA VAL 78 6.123 -19.117 3.616 586 HB VAL 78 HB VAL 78 6.626 -17.569 5.471 587 1HG1 VAL 78 1HG1 VAL 78 7.447 -20.426 5.981 588 2HG1 VAL 78 2HG1 VAL 78 6.928 -19.272 7.210 589 3HG1 VAL 78 3HG1 VAL 78 5.798 -19.804 5.965 590 1HG2 VAL 78 1HG2 VAL 78 9.370 -18.824 5.391 591 2HG2 VAL 78 2HG2 VAL 78 8.976 -17.149 4.998 592 3HG2 VAL 78 3HG2 VAL 78 8.774 -17.738 6.648 593 HA PRO 79 HA PRO 79 7.076 -15.751 0.911 594 1HB PRO 79 2HB PRO 79 5.138 -13.977 1.560 595 2HB PRO 79 1HB PRO 79 4.803 -15.472 0.677 596 1HG PRO 79 2HG PRO 79 4.452 -14.870 3.590 597 2HG PRO 79 1HG PRO 79 3.363 -15.731 2.486 598 1HD PRO 79 2HD PRO 79 5.012 -17.011 4.223 599 2HD PRO 79 1HD PRO 79 4.545 -17.700 2.655 600 H GLN 80 H GLN 80 9.088 -15.085 1.724 601 HA GLN 80 HA GLN 80 9.108 -13.090 3.863 602 1HB GLN 80 2HB GLN 80 11.311 -14.592 2.452 603 2HB GLN 80 1HB GLN 80 11.614 -13.311 3.615 604 1HG GLN 80 2HG GLN 80 10.442 -14.595 5.332 605 2HG GLN 80 1HG GLN 80 10.146 -15.881 4.163 606 1HE2 GLN 80 1HE2 GLN 80 11.859 -17.171 3.483 607 2HE2 GLN 80 2HE2 GLN 80 13.353 -17.241 4.347 608 H GLU 81 H GLU 81 9.472 -13.406 0.449 609 HA GLU 81 HA GLU 81 10.948 -11.237 -0.316 610 1HB GLU 81 2HB GLU 81 8.470 -12.420 -1.554 611 2HB GLU 81 1HB GLU 81 9.403 -11.152 -2.332 612 1HG GLU 81 2HG GLU 81 11.371 -12.603 -2.334 613 2HG GLU 81 1HG GLU 81 10.426 -13.875 -1.560 614 H LEU 82 H LEU 82 7.631 -11.250 0.848 615 HA LEU 82 HA LEU 82 6.980 -8.611 0.139 616 1HB LEU 82 2HB LEU 82 5.642 -9.362 2.525 617 2HB LEU 82 1HB LEU 82 4.987 -9.233 0.914 618 HG LEU 82 HG LEU 82 6.356 -11.713 1.957 619 1HD1 LEU 82 1HD1 LEU 82 4.057 -12.608 2.235 620 2HD1 LEU 82 2HD1 LEU 82 3.441 -10.974 1.997 621 3HD1 LEU 82 3HD1 LEU 82 4.474 -11.332 3.378 622 1HD2 LEU 82 1HD2 LEU 82 5.177 -12.792 0.103 623 2HD2 LEU 82 2HD2 LEU 82 6.248 -11.517 -0.475 624 3HD2 LEU 82 3HD2 LEU 82 4.510 -11.233 -0.382 625 H LEU 83 H LEU 83 7.836 -9.953 3.337 626 HA LEU 83 HA LEU 83 8.062 -7.556 4.710 627 1HB LEU 83 2HB LEU 83 9.503 -10.179 5.059 628 2HB LEU 83 1HB LEU 83 9.718 -8.838 6.167 629 HG LEU 83 HG LEU 83 7.023 -10.062 5.597 630 1HD1 LEU 83 1HD1 LEU 83 8.492 -11.785 6.500 631 2HD1 LEU 83 2HD1 LEU 83 7.287 -11.294 7.690 632 3HD1 LEU 83 3HD1 LEU 83 8.947 -10.714 7.826 633 1HD2 LEU 83 1HD2 LEU 83 6.419 -8.983 7.706 634 2HD2 LEU 83 2HD2 LEU 83 6.998 -7.805 6.529 635 3HD2 LEU 83 3HD2 LEU 83 8.051 -8.329 7.844 636 H ASN 84 H ASN 84 10.385 -9.193 2.648 637 HA ASN 84 HA ASN 84 12.645 -7.643 3.310 638 1HB ASN 84 2HB ASN 84 12.676 -9.834 2.093 639 2HB ASN 84 1HB ASN 84 12.075 -8.993 0.667 640 1HD2 ASN 84 1HD2 ASN 84 14.566 -10.449 1.086 641 2HD2 ASN 84 2HD2 ASN 84 15.836 -9.334 0.733 642 H ARG 85 H ARG 85 10.357 -7.360 0.583 643 HA ARG 85 HA ARG 85 11.570 -5.012 -0.457 644 1HB ARG 85 2HB ARG 85 9.595 -4.833 -1.884 645 2HB ARG 85 1HB ARG 85 10.218 -6.478 -1.864 646 1HG ARG 85 2HG ARG 85 8.465 -7.165 -0.356 647 2HG ARG 85 1HG ARG 85 7.876 -5.506 -0.241 648 1HD ARG 85 2HD ARG 85 7.948 -7.199 -2.737 649 2HD ARG 85 1HD ARG 85 6.514 -6.820 -1.781 650 HE ARG 85 HE ARG 85 7.360 -4.380 -2.396 651 1HH1 ARG 85 1HH1 ARG 85 7.053 -7.221 -4.390 652 2HH1 ARG 85 2HH1 ARG 85 6.737 -6.325 -5.840 653 1HH2 ARG 85 1HH2 ARG 85 6.944 -3.195 -4.299 654 2HH2 ARG 85 2HH2 ARG 85 6.676 -4.038 -5.787 655 H VAL 86 H VAL 86 9.388 -5.537 2.141 656 HA VAL 86 HA VAL 86 8.175 -2.940 2.096 657 HB VAL 86 HB VAL 86 8.296 -5.059 4.240 658 1HG1 VAL 86 1HG1 VAL 86 6.562 -3.733 5.409 659 2HG1 VAL 86 2HG1 VAL 86 8.127 -2.920 5.352 660 3HG1 VAL 86 3HG1 VAL 86 6.832 -2.420 4.262 661 1HG2 VAL 86 1HG2 VAL 86 6.084 -5.571 3.632 662 2HG2 VAL 86 2HG2 VAL 86 5.913 -4.093 2.686 663 3HG2 VAL 86 3HG2 VAL 86 6.950 -5.394 2.108 664 H LEU 87 H LEU 87 10.460 -4.424 4.416 665 HA LEU 87 HA LEU 87 11.102 -1.972 5.660 666 1HB LEU 87 2HB LEU 87 12.177 -4.734 5.717 667 2HB LEU 87 1HB LEU 87 13.239 -3.457 6.280 668 HG LEU 87 HG LEU 87 11.573 -2.788 7.950 669 1HD1 LEU 87 1HD1 LEU 87 9.975 -5.133 6.931 670 2HD1 LEU 87 2HD1 LEU 87 9.552 -3.431 6.746 671 3HD1 LEU 87 3HD1 LEU 87 9.595 -4.160 8.351 672 1HD2 LEU 87 1HD2 LEU 87 12.229 -5.730 8.001 673 2HD2 LEU 87 2HD2 LEU 87 11.751 -4.757 9.393 674 3HD2 LEU 87 3HD2 LEU 87 13.269 -4.421 8.560 675 H ASN 88 H ASN 88 12.274 -3.501 2.785 676 HA ASN 88 HA ASN 88 14.742 -2.039 2.652 677 1HB ASN 88 2HB ASN 88 14.338 -4.259 1.535 678 2HB ASN 88 1HB ASN 88 13.291 -3.426 0.390 679 1HD2 ASN 88 1HD2 ASN 88 15.765 -4.899 -0.058 680 2HD2 ASN 88 2HD2 ASN 88 16.846 -3.796 -0.832 681 H ALA 89 H ALA 89 11.707 -1.892 0.783 682 HA ALA 89 HA ALA 89 12.334 0.433 -0.650 683 1HB ALA 89 1HB ALA 89 9.605 -0.584 0.132 684 2HB ALA 89 2HB ALA 89 9.956 0.578 -1.148 685 3HB ALA 89 3HB ALA 89 10.524 -1.086 -1.287 686 H HIS 90 H HIS 90 10.498 0.016 2.368 687 HA HIS 90 HA HIS 90 9.839 2.696 2.778 688 1HB HIS 90 2HB HIS 90 8.845 0.852 4.065 689 2HB HIS 90 1HB HIS 90 10.393 0.565 4.854 690 HD1 HIS 90 HD1 HIS 90 7.486 2.920 4.823 691 HD2 HIS 90 HD2 HIS 90 11.039 2.358 6.902 692 HE1 HIS 90 HE1 HIS 90 7.340 4.435 6.825 693 HE2 HIS 90 HE2 HIS 90 9.463 4.012 8.114 694 H GLY 91 H GLY 91 12.530 0.830 4.180 695 1HA GLY 91 1HA GLY 91 13.816 2.935 5.475 696 2HA GLY 91 2HA GLY 91 14.612 1.476 4.899 697 H TYR 92 H TYR 92 13.889 1.962 2.119 698 HA TYR 92 HA TYR 92 16.144 3.504 1.345 699 1HB TYR 92 2HB TYR 92 15.604 1.823 -0.170 700 2HB TYR 92 1HB TYR 92 13.880 2.156 -0.087 701 HD1 TYR 92 HD1 TYR 92 12.866 3.786 -1.508 702 HD2 TYR 92 HD2 TYR 92 17.075 3.205 -1.585 703 HE1 TYR 92 HE1 TYR 92 12.994 5.085 -3.585 704 HE2 TYR 92 HE2 TYR 92 17.221 4.507 -3.668 705 HH TYR 92 HH TYR 92 14.658 6.396 -4.838 706 H TRP 93 H TRP 93 12.652 4.167 1.359 707 HA TRP 93 HA TRP 93 12.726 6.640 0.066 708 1HB TRP 93 2HB TRP 93 10.870 5.869 2.328 709 2HB TRP 93 1HB TRP 93 10.598 7.137 1.140 710 HD1 TRP 93 HD1 TRP 93 11.521 5.177 -1.383 711 HE1 TRP 93 HE1 TRP 93 9.783 3.460 -2.200 712 HE3 TRP 93 HE3 TRP 93 8.534 5.025 2.755 713 HZ2 TRP 93 HZ2 TRP 93 7.449 2.211 -1.214 714 HZ3 TRP 93 HZ3 TRP 93 6.568 3.548 2.739 715 HH2 TRP 93 HH2 TRP 93 6.037 2.174 0.796 716 H THR 94 H THR 94 12.784 5.945 3.557 717 HA THR 94 HA THR 94 13.199 8.633 4.339 718 HB THR 94 HB THR 94 13.778 7.717 6.552 719 HG1 THR 94 HG1 THR 94 13.610 5.209 5.203 720 1HG2 THR 94 1HG2 THR 94 11.424 7.982 5.949 721 2HG2 THR 94 2HG2 THR 94 11.650 6.574 6.986 722 3HG2 THR 94 3HG2 THR 94 11.412 6.361 5.252 723 H GLN 95 H GLN 95 15.458 5.893 4.073 724 HA GLN 95 HA GLN 95 17.746 7.342 4.875 725 1HB GLN 95 2HB GLN 95 17.412 4.784 3.321 726 2HB GLN 95 1HB GLN 95 18.991 5.441 3.730 727 1HG GLN 95 2HG GLN 95 18.431 5.311 6.104 728 2HG GLN 95 1HG GLN 95 16.848 4.652 5.693 729 1HE2 GLN 95 1HE2 GLN 95 16.694 2.551 4.912 730 2HE2 GLN 95 2HE2 GLN 95 17.983 1.412 5.079 731 H GLN 96 H GLN 96 16.910 6.185 1.596 732 HA GLN 96 HA GLN 96 18.910 7.676 0.333 733 1HB GLN 96 2HB GLN 96 17.710 5.748 -0.692 734 2HB GLN 96 1HB GLN 96 16.302 6.782 -0.895 735 1HG GLN 96 2HG GLN 96 17.520 6.623 -2.967 736 2HG GLN 96 1HG GLN 96 17.609 8.266 -2.338 737 1HE2 GLN 96 1HE2 GLN 96 19.564 9.045 -1.548 738 2HE2 GLN 96 2HE2 GLN 96 21.069 8.267 -1.891 739 H GLN 97 H GLN 97 15.893 8.626 1.621 740 HA GLN 97 HA GLN 97 14.777 10.603 1.709 741 1HB GLN 97 2HB GLN 97 17.444 11.682 0.786 742 2HB GLN 97 1HB GLN 97 16.111 12.677 1.354 743 1HG GLN 97 2HG GLN 97 16.223 11.582 3.535 744 2HG GLN 97 1HG GLN 97 17.563 10.589 2.964 745 1HE2 GLN 97 1HE2 GLN 97 17.155 13.943 2.088 746 2HE2 GLN 97 2HE2 GLN 97 18.508 14.544 2.978 747 H MET 98 H MET 98 14.271 9.120 -0.533 748 HA MET 98 HA MET 98 13.329 9.224 -2.600 749 1HB MET 98 2HB MET 98 13.148 12.179 -1.976 750 2HB MET 98 1HB MET 98 12.275 11.351 -3.259 751 1HG MET 98 2HG MET 98 11.105 10.002 -1.591 752 2HG MET 98 1HG MET 98 11.976 10.840 -0.308 753 1HE MET 98 1HE MET 98 12.051 13.825 -1.403 754 2HE MET 98 2HE MET 98 11.659 13.412 0.266 755 3HE MET 98 3HE MET 98 10.605 14.492 -0.646 756 H GLN 99 H GLN 99 16.044 9.088 -2.636 757 HA GLN 99 HA GLN 99 17.869 9.373 -3.955 758 1HB GLN 99 2HB GLN 99 16.232 8.776 -5.717 759 2HB GLN 99 1HB GLN 99 15.875 10.483 -5.938 760 1HG GLN 99 2HG GLN 99 18.180 10.881 -6.627 761 2HG GLN 99 1HG GLN 99 18.546 9.172 -6.398 762 1HE2 GLN 99 1HE2 GLN 99 17.727 7.665 -7.852 763 2HE2 GLN 99 2HE2 GLN 99 17.111 8.121 -9.400 764 H GLN 100 H GLN 100 18.540 11.001 -2.396 765 HA GLN 100 HA GLN 100 19.469 13.001 -1.845 766 1HB GLN 100 2HB GLN 100 19.314 13.491 -4.825 767 2HB GLN 100 1HB GLN 100 20.267 14.432 -3.685 768 1HG GLN 100 2HG GLN 100 21.600 12.459 -3.162 769 2HG GLN 100 1HG GLN 100 20.640 11.508 -4.294 770 1HE2 GLN 100 1HE2 GLN 100 22.417 11.000 -5.556 771 2HE2 GLN 100 2HE2 GLN 100 23.189 12.158 -6.580 772 H LEU 101 H LEU 101 19.177 15.556 -2.499 773 HA LEU 101 HA LEU 101 16.331 16.040 -2.006 774 1HB LEU 101 2HB LEU 101 18.780 17.739 -1.561 775 2HB LEU 101 1HB LEU 101 17.148 18.344 -1.360 776 HG LEU 101 HG LEU 101 16.811 16.494 0.352 777 1HD1 LEU 101 1HD1 LEU 101 19.813 16.364 0.116 778 2HD1 LEU 101 2HD1 LEU 101 18.671 15.072 -0.252 779 3HD1 LEU 101 3HD1 LEU 101 18.861 15.635 1.409 780 1HD2 LEU 101 1HD2 LEU 101 17.108 18.830 0.969 781 2HD2 LEU 101 2HD2 LEU 101 18.860 18.634 0.912 782 3HD2 LEU 101 3HD2 LEU 101 17.916 17.768 2.124 783 H GLN 102 H GLN 102 19.010 17.280 -3.988 784 HA GLN 102 HA GLN 102 17.397 19.024 -5.535 785 1HB GLN 102 2HB GLN 102 19.845 19.277 -5.293 786 2HB GLN 102 1HB GLN 102 20.076 17.801 -6.220 787 1HG GLN 102 2HG GLN 102 19.029 18.850 -8.158 788 2HG GLN 102 1HG GLN 102 18.792 20.328 -7.230 789 1HE2 GLN 102 1HE2 GLN 102 21.097 18.275 -8.821 790 2HE2 GLN 102 2HE2 GLN 102 22.407 19.404 -8.824 791 H GLN 103 H GLN 103 16.460 18.766 -7.524 792 HA GLN 103 HA GLN 103 15.367 17.696 -9.210 793 1HB GLN 103 2HB GLN 103 17.778 15.886 -9.055 794 2HB GLN 103 1HB GLN 103 16.587 15.846 -10.348 795 1HG GLN 103 2HG GLN 103 18.344 18.187 -9.648 796 2HG GLN 103 1HG GLN 103 18.586 17.077 -10.995 797 1HE2 GLN 103 1HE2 GLN 103 16.676 19.687 -9.733 798 2HE2 GLN 103 2HE2 GLN 103 15.868 20.082 -11.209 799 H ASN 104 H ASN 104 13.562 17.081 -8.047 800 HA ASN 104 HA ASN 104 13.552 14.552 -6.644 801 1HB ASN 104 2HB ASN 104 11.293 16.474 -7.250 802 2HB ASN 104 1HB ASN 104 11.182 15.074 -6.187 803 1HD2 ASN 104 1HD2 ASN 104 13.857 15.459 -5.105 804 2HD2 ASN 104 2HD2 ASN 104 13.750 16.806 -4.029 805 H VAL 105 H VAL 105 14.232 13.428 -8.647 806 HA VAL 105 HA VAL 105 13.813 11.978 -10.350 807 HB VAL 105 HB VAL 105 10.947 12.073 -9.397 808 1HG1 VAL 105 1HG1 VAL 105 10.814 9.820 -10.358 809 2HG1 VAL 105 2HG1 VAL 105 11.206 11.031 -11.578 810 3HG1 VAL 105 3HG1 VAL 105 12.471 9.977 -10.941 811 1HG2 VAL 105 1HG2 VAL 105 13.216 10.298 -8.500 812 2HG2 VAL 105 2HG2 VAL 105 12.440 11.561 -7.544 813 3HG2 VAL 105 3HG2 VAL 105 11.528 10.128 -8.019 Start of MODEL 9 1 H GLN 9 H GLN 9 -27.104 11.162 -11.707 2 HA GLN 9 HA GLN 9 -25.631 13.577 -10.990 3 1HB GLN 9 2HB GLN 9 -25.916 10.938 -9.540 4 2HB GLN 9 1HB GLN 9 -25.082 12.355 -8.915 5 1HG GLN 9 2HG GLN 9 -27.180 13.607 -8.958 6 2HG GLN 9 1HG GLN 9 -28.013 12.183 -9.581 7 1HE2 GLN 9 1HE2 GLN 9 -26.448 10.358 -7.916 8 2HE2 GLN 9 2HE2 GLN 9 -27.071 10.522 -6.314 9 H ARG 10 H ARG 10 -25.136 10.419 -12.331 10 HA ARG 10 HA ARG 10 -23.316 9.347 -13.169 11 1HB ARG 10 2HB ARG 10 -22.163 12.142 -13.219 12 2HB ARG 10 1HB ARG 10 -21.494 10.753 -14.062 13 1HG ARG 10 2HG ARG 10 -23.517 10.583 -15.409 14 2HG ARG 10 1HG ARG 10 -24.207 11.964 -14.554 15 1HD ARG 10 2HD ARG 10 -21.696 11.992 -16.225 16 2HD ARG 10 1HD ARG 10 -23.267 12.622 -16.715 17 HE ARG 10 HE ARG 10 -22.564 13.875 -14.330 18 1HH1 ARG 10 1HH1 ARG 10 -21.436 13.701 -17.624 19 2HH1 ARG 10 2HH1 ARG 10 -20.760 15.296 -17.613 20 1HH2 ARG 10 1HH2 ARG 10 -21.679 15.977 -14.308 21 2HH2 ARG 10 2HH2 ARG 10 -20.898 16.589 -15.728 22 H ARG 11 H ARG 11 -23.543 10.033 -10.203 23 HA ARG 11 HA ARG 11 -20.773 10.040 -9.347 24 1HB ARG 11 2HB ARG 11 -22.445 11.305 -8.070 25 2HB ARG 11 1HB ARG 11 -23.329 9.821 -7.743 26 1HG ARG 11 2HG ARG 11 -22.042 10.434 -5.810 27 2HG ARG 11 1HG ARG 11 -21.375 8.960 -6.512 28 1HD ARG 11 2HD ARG 11 -19.630 10.278 -7.613 29 2HD ARG 11 1HD ARG 11 -20.299 11.750 -6.910 30 HE ARG 11 HE ARG 11 -19.775 10.046 -4.799 31 1HH1 ARG 11 1HH1 ARG 11 -17.961 11.611 -7.330 32 2HH1 ARG 11 2HH1 ARG 11 -16.504 11.716 -6.398 33 1HH2 ARG 11 1HH2 ARG 11 -17.862 10.182 -3.565 34 2HH2 ARG 11 2HH2 ARG 11 -16.449 10.904 -4.259 35 H ILE 12 H ILE 12 -19.612 8.315 -8.753 36 HA ILE 12 HA ILE 12 -20.936 5.692 -8.839 37 HB ILE 12 HB ILE 12 -19.140 5.951 -10.462 38 1HG1 ILE 12 2HG1 ILE 12 -18.257 4.146 -8.198 39 2HG1 ILE 12 1HG1 ILE 12 -19.523 3.747 -9.354 40 1HG2 ILE 12 1HG2 ILE 12 -17.355 6.474 -8.089 41 2HG2 ILE 12 2HG2 ILE 12 -17.846 7.659 -9.296 42 3HG2 ILE 12 3HG2 ILE 12 -16.826 6.298 -9.762 43 1HD1 ILE 12 1HD1 ILE 12 -17.432 2.673 -9.939 44 2HD1 ILE 12 2HD1 ILE 12 -16.628 4.240 -10.002 45 3HD1 ILE 12 3HD1 ILE 12 -17.892 3.850 -11.168 46 H ARG 13 H ARG 13 -20.648 4.194 -7.206 47 HA ARG 13 HA ARG 13 -20.041 5.300 -4.612 48 1HB ARG 13 2HB ARG 13 -21.956 3.790 -4.918 49 2HB ARG 13 1HB ARG 13 -20.865 2.499 -5.400 50 1HG ARG 13 2HG ARG 13 -19.837 2.546 -3.177 51 2HG ARG 13 1HG ARG 13 -20.955 3.824 -2.697 52 1HD ARG 13 2HD ARG 13 -21.718 1.040 -3.572 53 2HD ARG 13 1HD ARG 13 -21.706 1.633 -1.912 54 HE ARG 13 HE ARG 13 -23.341 3.326 -3.405 55 1HH1 ARG 13 1HH1 ARG 13 -23.283 0.000 -2.351 56 2HH1 ARG 13 2HH1 ARG 13 -25.008 -0.152 -2.316 57 1HH2 ARG 13 1HH2 ARG 13 -25.612 3.128 -3.361 58 2HH2 ARG 13 2HH2 ARG 13 -26.329 1.623 -2.889 59 H ARG 14 H ARG 14 -17.890 5.631 -4.354 60 HA ARG 14 HA ARG 14 -15.676 5.203 -4.065 61 1HB ARG 14 2HB ARG 14 -16.890 2.544 -3.336 62 2HB ARG 14 1HB ARG 14 -15.164 2.848 -3.204 63 1HG ARG 14 2HG ARG 14 -16.089 3.191 -1.059 64 2HG ARG 14 1HG ARG 14 -15.718 4.786 -1.710 65 1HD ARG 14 2HD ARG 14 -18.062 5.079 -2.337 66 2HD ARG 14 1HD ARG 14 -18.436 3.475 -1.707 67 HE ARG 14 HE ARG 14 -17.241 4.941 0.343 68 1HH1 ARG 14 1HH1 ARG 14 -20.160 4.996 -1.562 69 2HH1 ARG 14 2HH1 ARG 14 -21.110 5.734 -0.317 70 1HH2 ARG 14 1HH2 ARG 14 -18.488 5.912 1.987 71 2HH2 ARG 14 2HH2 ARG 14 -20.161 6.255 1.699 72 HA PRO 15 HA PRO 15 -15.077 3.403 -8.260 73 1HB PRO 15 2HB PRO 15 -13.472 5.354 -9.200 74 2HB PRO 15 1HB PRO 15 -15.232 5.513 -9.182 75 1HG PRO 15 2HG PRO 15 -13.208 6.629 -7.282 76 2HG PRO 15 1HG PRO 15 -14.646 7.406 -7.968 77 1HD PRO 15 2HD PRO 15 -14.563 6.343 -5.454 78 2HD PRO 15 1HD PRO 15 -16.047 6.455 -6.420 79 H PHE 16 H PHE 16 -12.658 4.925 -6.153 80 HA PHE 16 HA PHE 16 -10.543 3.249 -7.208 81 1HB PHE 16 2HB PHE 16 -10.621 5.397 -5.094 82 2HB PHE 16 1HB PHE 16 -9.180 4.436 -5.405 83 HD1 PHE 16 HD1 PHE 16 -11.452 6.977 -6.759 84 HD2 PHE 16 HD2 PHE 16 -7.867 4.769 -7.377 85 HE1 PHE 16 HE1 PHE 16 -10.822 8.515 -8.572 86 HE2 PHE 16 HE2 PHE 16 -7.230 6.305 -9.192 87 HZ PHE 16 HZ PHE 16 -8.709 8.182 -9.791 88 H SER 17 H SER 17 -9.163 1.983 -5.765 89 HA SER 17 HA SER 17 -10.095 1.130 -3.212 90 1HB SER 17 2HB SER 17 -10.617 -1.209 -3.817 91 2HB SER 17 1HB SER 17 -11.737 -0.077 -4.576 92 HG SER 17 HG SER 17 -10.677 -1.856 -5.887 93 H VAL 18 H VAL 18 -8.873 -1.169 -2.776 94 HA VAL 18 HA VAL 18 -6.180 -0.585 -2.596 95 HB VAL 18 HB VAL 18 -7.253 -2.340 -1.265 96 1HG1 VAL 18 1HG1 VAL 18 -8.684 -3.308 -2.976 97 2HG1 VAL 18 2HG1 VAL 18 -7.271 -3.933 -3.827 98 3HG1 VAL 18 3HG1 VAL 18 -7.683 -4.553 -2.228 99 1HG2 VAL 18 1HG2 VAL 18 -4.935 -3.355 -2.910 100 2HG2 VAL 18 2HG2 VAL 18 -4.826 -2.347 -1.465 101 3HG2 VAL 18 3HG2 VAL 18 -5.446 -3.995 -1.348 102 H ALA 19 H ALA 19 -7.944 -2.109 -5.208 103 HA ALA 19 HA ALA 19 -5.830 -3.206 -6.663 104 1HB ALA 19 1HB ALA 19 -7.296 -3.268 -8.519 105 2HB ALA 19 2HB ALA 19 -8.309 -3.473 -7.091 106 3HB ALA 19 3HB ALA 19 -8.246 -1.913 -7.907 107 H GLU 20 H GLU 20 -7.309 0.015 -6.917 108 HA GLU 20 HA GLU 20 -5.535 1.004 -8.875 109 1HB GLU 20 2HB GLU 20 -7.290 2.377 -6.843 110 2HB GLU 20 1HB GLU 20 -6.318 3.270 -8.003 111 1HG GLU 20 2HG GLU 20 -8.579 3.078 -8.802 112 2HG GLU 20 1HG GLU 20 -7.498 2.147 -9.836 113 H VAL 21 H VAL 21 -5.445 0.927 -5.368 114 HA VAL 21 HA VAL 21 -3.352 2.690 -4.881 115 HB VAL 21 HB VAL 21 -3.971 0.123 -3.406 116 1HG1 VAL 21 1HG1 VAL 21 -1.742 0.927 -2.869 117 2HG1 VAL 21 2HG1 VAL 21 -2.381 2.539 -2.547 118 3HG1 VAL 21 3HG1 VAL 21 -2.830 1.189 -1.506 119 1HG2 VAL 21 1HG2 VAL 21 -4.887 2.951 -2.884 120 2HG2 VAL 21 2HG2 VAL 21 -5.882 1.644 -3.524 121 3HG2 VAL 21 3HG2 VAL 21 -5.245 1.543 -1.882 122 H GLU 22 H GLU 22 -3.320 -0.630 -6.019 123 HA GLU 22 HA GLU 22 -0.689 -1.351 -5.636 124 1HB GLU 22 2HB GLU 22 -2.560 -2.727 -6.673 125 2HB GLU 22 1HB GLU 22 -2.204 -1.908 -8.188 126 1HG GLU 22 2HG GLU 22 -0.153 -3.468 -6.642 127 2HG GLU 22 1HG GLU 22 -1.175 -4.180 -7.889 128 H ALA 23 H ALA 23 -2.028 0.345 -8.474 129 HA ALA 23 HA ALA 23 0.421 0.811 -9.759 130 1HB ALA 23 1HB ALA 23 -1.673 1.075 -10.937 131 2HB ALA 23 2HB ALA 23 -2.146 2.394 -9.867 132 3HB ALA 23 3HB ALA 23 -0.789 2.599 -10.974 133 H LEU 24 H LEU 24 -1.409 2.724 -7.419 134 HA LEU 24 HA LEU 24 0.211 5.002 -7.387 135 1HB LEU 24 2HB LEU 24 -2.016 4.842 -6.324 136 2HB LEU 24 1HB LEU 24 -1.339 3.795 -5.094 137 HG LEU 24 HG LEU 24 0.141 5.655 -4.373 138 1HD1 LEU 24 1HD1 LEU 24 -1.480 7.268 -6.337 139 2HD1 LEU 24 2HD1 LEU 24 0.237 6.889 -6.467 140 3HD1 LEU 24 3HD1 LEU 24 -0.340 7.921 -5.158 141 1HD2 LEU 24 1HD2 LEU 24 -2.811 6.276 -4.383 142 2HD2 LEU 24 2HD2 LEU 24 -1.616 6.961 -3.282 143 3HD2 LEU 24 3HD2 LEU 24 -1.973 5.234 -3.233 144 H VAL 25 H VAL 25 0.637 1.850 -6.004 145 HA VAL 25 HA VAL 25 2.687 2.566 -4.146 146 HB VAL 25 HB VAL 25 1.814 -0.083 -5.295 147 1HG1 VAL 25 1HG1 VAL 25 3.300 -1.083 -3.515 148 2HG1 VAL 25 2HG1 VAL 25 4.129 -0.396 -4.913 149 3HG1 VAL 25 3HG1 VAL 25 4.070 0.498 -3.395 150 1HG2 VAL 25 1HG2 VAL 25 0.299 0.949 -3.690 151 2HG2 VAL 25 2HG2 VAL 25 1.047 -0.493 -3.006 152 3HG2 VAL 25 3HG2 VAL 25 1.617 1.107 -2.531 153 H GLN 26 H GLN 26 2.626 1.250 -7.431 154 HA GLN 26 HA GLN 26 5.413 0.893 -7.696 155 1HB GLN 26 2HB GLN 26 3.747 -0.153 -9.192 156 2HB GLN 26 1HB GLN 26 3.360 1.429 -9.852 157 1HG GLN 26 2HG GLN 26 5.640 1.637 -10.698 158 2HG GLN 26 1HG GLN 26 6.030 0.050 -10.034 159 1HE2 GLN 26 1HE2 GLN 26 4.311 1.789 -12.501 160 2HE2 GLN 26 2HE2 GLN 26 3.976 0.430 -13.514 161 H ALA 27 H ALA 27 3.409 3.674 -7.773 162 HA ALA 27 HA ALA 27 5.328 5.314 -9.202 163 1HB ALA 27 1HB ALA 27 3.716 7.110 -8.926 164 2HB ALA 27 2HB ALA 27 2.930 5.657 -9.548 165 3HB ALA 27 3HB ALA 27 2.752 6.098 -7.849 166 H VAL 28 H VAL 28 4.251 4.821 -5.877 167 HA VAL 28 HA VAL 28 5.832 7.044 -4.899 168 HB VAL 28 HB VAL 28 5.039 6.411 -2.676 169 1HG1 VAL 28 1HG1 VAL 28 2.630 6.792 -3.064 170 2HG1 VAL 28 2HG1 VAL 28 3.655 7.881 -3.998 171 3HG1 VAL 28 3HG1 VAL 28 2.886 6.503 -4.784 172 1HG2 VAL 28 1HG2 VAL 28 3.405 4.579 -2.431 173 2HG2 VAL 28 2HG2 VAL 28 3.707 4.112 -4.104 174 3HG2 VAL 28 3HG2 VAL 28 5.000 4.002 -2.911 175 H GLU 29 H GLU 29 6.331 3.693 -5.446 176 HA GLU 29 HA GLU 29 8.164 3.126 -3.388 177 1HB GLU 29 2HB GLU 29 8.972 1.312 -4.944 178 2HB GLU 29 1HB GLU 29 7.255 1.289 -4.567 179 1HG GLU 29 2HG GLU 29 6.661 2.059 -6.682 180 2HG GLU 29 1HG GLU 29 8.290 2.622 -7.041 181 H LYS 30 H LYS 30 8.486 5.271 -5.957 182 HA LYS 30 HA LYS 30 11.407 4.977 -6.011 183 1HB LYS 30 2HB LYS 30 11.303 6.474 -8.001 184 2HB LYS 30 1HB LYS 30 10.448 4.950 -8.204 185 1HG LYS 30 2HG LYS 30 8.333 6.017 -7.895 186 2HG LYS 30 1HG LYS 30 9.112 7.538 -7.456 187 1HD LYS 30 2HD LYS 30 8.356 7.697 -9.730 188 2HD LYS 30 1HD LYS 30 10.118 7.608 -9.733 189 1HE LYS 30 2HE LYS 30 9.994 5.223 -10.263 190 2HE LYS 30 1HE LYS 30 8.233 5.307 -10.246 191 1HZ LYS 30 1HZ LYS 30 10.017 6.774 -12.113 192 2HZ LYS 30 2HZ LYS 30 8.327 6.856 -12.098 193 3HZ LYS 30 3HZ LYS 30 9.099 5.404 -12.495 194 H LEU 31 H LEU 31 8.886 7.462 -5.581 195 HA LEU 31 HA LEU 31 10.925 9.121 -4.245 196 1HB LEU 31 2HB LEU 31 9.452 11.077 -4.968 197 2HB LEU 31 1HB LEU 31 10.451 10.312 -6.187 198 HG LEU 31 HG LEU 31 8.350 8.960 -6.800 199 1HD1 LEU 31 1HD1 LEU 31 6.229 10.095 -6.300 200 2HD1 LEU 31 2HD1 LEU 31 7.086 11.190 -5.217 201 3HD1 LEU 31 3HD1 LEU 31 7.012 9.467 -4.851 202 1HD2 LEU 31 1HD2 LEU 31 8.441 11.933 -7.291 203 2HD2 LEU 31 2HD2 LEU 31 7.540 10.758 -8.247 204 3HD2 LEU 31 3HD2 LEU 31 9.302 10.699 -8.211 205 H GLY 32 H GLY 32 9.175 7.156 -3.018 206 1HA GLY 32 1HA GLY 32 7.129 8.700 -1.645 207 2HA GLY 32 2HA GLY 32 7.463 6.987 -1.433 208 H THR 33 H THR 33 7.044 7.864 0.849 209 HA THR 33 HA THR 33 9.658 8.310 2.091 210 HB THR 33 HB THR 33 7.195 9.903 2.836 211 HG1 THR 33 HG1 THR 33 8.935 11.601 2.163 212 1HG2 THR 33 1HG2 THR 33 8.615 9.397 4.759 213 2HG2 THR 33 2HG2 THR 33 8.717 11.107 4.341 214 3HG2 THR 33 3HG2 THR 33 10.024 10.011 3.893 215 H GLY 34 H GLY 34 6.266 7.436 2.429 216 1HA GLY 34 1HA GLY 34 6.834 5.178 4.039 217 2HA GLY 34 2HA GLY 34 6.259 6.495 5.049 218 H ARG 35 H ARG 35 5.157 6.212 1.783 219 HA ARG 35 HA ARG 35 3.037 6.150 0.964 220 1HB ARG 35 2HB ARG 35 1.975 3.932 1.205 221 2HB ARG 35 1HB ARG 35 3.675 3.842 0.780 222 1HG ARG 35 2HG ARG 35 3.582 2.211 2.354 223 2HG ARG 35 1HG ARG 35 3.958 3.583 3.392 224 1HD ARG 35 2HD ARG 35 2.135 2.121 4.254 225 2HD ARG 35 1HD ARG 35 1.665 3.807 4.040 226 HE ARG 35 HE ARG 35 0.839 2.803 1.741 227 1HH1 ARG 35 1HH1 ARG 35 0.552 1.467 4.948 228 2HH1 ARG 35 2HH1 ARG 35 -0.926 0.633 4.605 229 1HH2 ARG 35 1HH2 ARG 35 -1.105 1.708 1.284 230 2HH2 ARG 35 2HH2 ARG 35 -1.868 0.769 2.522 231 H TRP 36 H TRP 36 3.251 7.501 3.556 232 HA TRP 36 HA TRP 36 1.130 6.889 5.266 233 1HB TRP 36 2HB TRP 36 2.099 9.686 4.658 234 2HB TRP 36 1HB TRP 36 1.381 9.098 6.154 235 HD1 TRP 36 HD1 TRP 36 4.679 9.423 4.361 236 HE1 TRP 36 HE1 TRP 36 6.572 8.572 5.881 237 HE3 TRP 36 HE3 TRP 36 1.857 7.275 8.043 238 HZ2 TRP 36 HZ2 TRP 36 6.834 7.174 8.321 239 HZ3 TRP 36 HZ3 TRP 36 3.006 6.201 9.936 240 HH2 TRP 36 HH2 TRP 36 5.443 6.153 10.070 241 H ARG 37 H ARG 37 1.269 8.967 2.405 242 HA ARG 37 HA ARG 37 -1.426 9.849 2.562 243 1HB ARG 37 2HB ARG 37 -1.047 10.547 0.191 244 2HB ARG 37 1HB ARG 37 0.167 11.142 1.316 245 1HG ARG 37 2HG ARG 37 1.505 9.046 0.604 246 2HG ARG 37 1HG ARG 37 0.410 9.029 -0.781 247 1HD ARG 37 2HD ARG 37 2.368 10.250 -1.403 248 2HD ARG 37 1HD ARG 37 1.042 11.395 -1.216 249 HE ARG 37 HE ARG 37 2.371 11.277 1.218 250 1HH1 ARG 37 1HH1 ARG 37 3.038 12.248 -2.061 251 2HH1 ARG 37 2HH1 ARG 37 4.200 13.448 -1.607 252 1HH2 ARG 37 1HH2 ARG 37 3.900 12.856 1.826 253 2HH2 ARG 37 2HH2 ARG 37 4.691 13.794 0.603 254 H ASP 38 H ASP 38 0.092 6.986 1.397 255 HA ASP 38 HA ASP 38 -1.989 6.175 -0.386 256 1HB ASP 38 2HB ASP 38 0.214 4.574 0.933 257 2HB ASP 38 1HB ASP 38 -0.839 3.976 -0.346 258 H VAL 39 H VAL 39 -1.034 5.137 2.887 259 HA VAL 39 HA VAL 39 -3.184 3.347 3.247 260 HB VAL 39 HB VAL 39 -1.135 3.289 4.620 261 1HG1 VAL 39 1HG1 VAL 39 -2.243 5.799 5.871 262 2HG1 VAL 39 2HG1 VAL 39 -0.870 4.873 6.480 263 3HG1 VAL 39 3HG1 VAL 39 -0.771 5.666 4.908 264 1HG2 VAL 39 1HG2 VAL 39 -3.141 2.177 5.427 265 2HG2 VAL 39 2HG2 VAL 39 -2.217 2.844 6.773 266 3HG2 VAL 39 3HG2 VAL 39 -3.670 3.668 6.208 267 H LYS 40 H LYS 40 -2.889 6.798 3.723 268 HA LYS 40 HA LYS 40 -5.246 7.075 5.307 269 1HB LYS 40 2HB LYS 40 -3.275 8.868 4.063 270 2HB LYS 40 1HB LYS 40 -4.896 9.537 4.173 271 1HG LYS 40 2HG LYS 40 -3.696 10.201 6.113 272 2HG LYS 40 1HG LYS 40 -4.882 8.991 6.605 273 1HD LYS 40 2HD LYS 40 -3.149 7.280 6.625 274 2HD LYS 40 1HD LYS 40 -1.960 8.461 6.072 275 1HE LYS 40 2HE LYS 40 -2.336 9.766 8.123 276 2HE LYS 40 1HE LYS 40 -3.474 8.539 8.679 277 1HZ LYS 40 1HZ LYS 40 -0.587 8.099 8.131 278 2HZ LYS 40 2HZ LYS 40 -1.679 6.920 8.662 279 3HZ LYS 40 3HZ LYS 40 -1.293 8.228 9.664 280 H LEU 41 H LEU 41 -4.535 7.401 1.850 281 HA LEU 41 HA LEU 41 -7.427 7.678 1.364 282 1HB LEU 41 2HB LEU 41 -5.054 8.666 -0.198 283 2HB LEU 41 1HB LEU 41 -6.652 8.559 -0.910 284 HG LEU 41 HG LEU 41 -7.456 10.067 0.968 285 1HD1 LEU 41 1HD1 LEU 41 -4.486 10.413 1.338 286 2HD1 LEU 41 2HD1 LEU 41 -5.635 9.783 2.519 287 3HD1 LEU 41 3HD1 LEU 41 -5.721 11.472 2.019 288 1HD2 LEU 41 1HD2 LEU 41 -7.120 10.857 -1.313 289 2HD2 LEU 41 2HD2 LEU 41 -5.413 11.149 -0.970 290 3HD2 LEU 41 3HD2 LEU 41 -6.653 12.091 -0.141 291 H CYS 42 H CYS 42 -5.803 5.164 1.702 292 HA CYS 42 HA CYS 42 -5.406 3.887 -0.751 293 1HB CYS 42 2HB CYS 42 -5.678 1.766 0.519 294 2HB CYS 42 1HB CYS 42 -4.596 2.904 1.317 295 HG CYS 42 HG CYS 42 -6.996 3.794 2.889 296 H ALA 43 H ALA 43 -8.246 4.042 1.324 297 HA ALA 43 HA ALA 43 -10.105 4.083 -0.791 298 1HB ALA 43 1HB ALA 43 -11.111 1.869 -0.565 299 2HB ALA 43 2HB ALA 43 -9.433 1.749 -1.095 300 3HB ALA 43 3HB ALA 43 -9.854 1.409 0.585 301 H PHE 44 H PHE 44 -9.424 5.174 1.915 302 HA PHE 44 HA PHE 44 -10.510 6.087 3.670 303 1HB PHE 44 2HB PHE 44 -13.013 4.992 2.358 304 2HB PHE 44 1HB PHE 44 -12.958 6.171 3.659 305 HD1 PHE 44 HD1 PHE 44 -12.651 5.629 0.096 306 HD2 PHE 44 HD2 PHE 44 -12.113 8.448 3.239 307 HE1 PHE 44 HE1 PHE 44 -12.557 7.448 -1.558 308 HE2 PHE 44 HE2 PHE 44 -12.018 10.272 1.590 309 HZ PHE 44 HZ PHE 44 -12.240 9.773 -0.811 310 H GLU 45 H GLU 45 -9.817 3.133 3.167 311 HA GLU 45 HA GLU 45 -11.428 1.804 5.144 312 1HB GLU 45 2HB GLU 45 -9.079 0.835 3.517 313 2HB GLU 45 1HB GLU 45 -10.008 -0.172 4.618 314 1HG GLU 45 2HG GLU 45 -11.080 1.214 2.171 315 2HG GLU 45 1HG GLU 45 -10.687 -0.499 2.305 316 H ASP 46 H ASP 46 -7.987 2.606 4.739 317 HA ASP 46 HA ASP 46 -7.616 2.172 7.623 318 1HB ASP 46 2HB ASP 46 -5.572 2.309 5.398 319 2HB ASP 46 1HB ASP 46 -5.199 2.056 7.101 320 H ALA 47 H ALA 47 -8.755 4.584 6.255 321 HA ALA 47 HA ALA 47 -6.870 6.691 6.364 322 1HB ALA 47 1HB ALA 47 -8.797 8.176 6.277 323 2HB ALA 47 2HB ALA 47 -8.976 6.853 5.125 324 3HB ALA 47 3HB ALA 47 -9.871 6.826 6.644 325 H ASP 48 H ASP 48 -8.141 4.835 8.822 326 HA ASP 48 HA ASP 48 -8.192 6.955 10.816 327 1HB ASP 48 2HB ASP 48 -8.661 3.979 11.089 328 2HB ASP 48 1HB ASP 48 -8.874 5.163 12.374 329 H HIS 49 H HIS 49 -5.842 5.260 9.341 330 HA HIS 49 HA HIS 49 -3.783 4.418 9.886 331 1HB HIS 49 2HB HIS 49 -2.391 6.147 11.088 332 2HB HIS 49 1HB HIS 49 -3.242 6.711 9.658 333 HD1 HIS 49 HD1 HIS 49 -5.403 8.206 10.117 334 HD2 HIS 49 HD2 HIS 49 -2.956 7.506 13.401 335 HE1 HIS 49 HE1 HIS 49 -6.073 9.918 11.831 336 HE2 HIS 49 HE2 HIS 49 -4.522 9.529 13.778 337 H ARG 50 H ARG 50 -4.019 2.572 11.044 338 HA ARG 50 HA ARG 50 -4.725 2.429 13.765 339 1HB ARG 50 2HB ARG 50 -3.135 0.459 12.113 340 2HB ARG 50 1HB ARG 50 -3.896 0.115 13.660 341 1HG ARG 50 2HG ARG 50 -5.359 0.929 11.158 342 2HG ARG 50 1HG ARG 50 -5.185 -0.725 11.746 343 1HD ARG 50 2HD ARG 50 -6.360 -0.115 13.805 344 2HD ARG 50 1HD ARG 50 -6.529 1.539 13.218 345 HE ARG 50 HE ARG 50 -7.631 -0.232 11.333 346 1HH1 ARG 50 1HH1 ARG 50 -8.248 1.028 14.525 347 2HH1 ARG 50 2HH1 ARG 50 -9.965 0.849 14.404 348 1HH2 ARG 50 1HH2 ARG 50 -9.893 -0.472 11.169 349 2HH2 ARG 50 2HH2 ARG 50 -10.900 -0.002 12.497 350 H THR 51 H THR 51 -1.523 1.635 12.397 351 HA THR 51 HA THR 51 -0.154 3.266 14.334 352 HB THR 51 HB THR 51 0.688 0.431 14.571 353 HG1 THR 51 HG1 THR 51 -1.315 1.163 16.350 354 1HG2 THR 51 1HG2 THR 51 0.306 2.580 16.655 355 2HG2 THR 51 2HG2 THR 51 1.785 2.368 15.720 356 3HG2 THR 51 3HG2 THR 51 1.241 1.092 16.809 357 H TYR 52 H TYR 52 2.346 2.606 14.202 358 HA TYR 52 HA TYR 52 3.080 3.038 11.527 359 1HB TYR 52 2HB TYR 52 5.360 2.968 12.243 360 2HB TYR 52 1HB TYR 52 4.421 3.783 13.480 361 HD1 TYR 52 HD1 TYR 52 3.422 1.760 15.229 362 HD2 TYR 52 HD2 TYR 52 7.121 1.830 13.130 363 HE1 TYR 52 HE1 TYR 52 4.408 0.300 16.934 364 HE2 TYR 52 HE2 TYR 52 8.117 0.361 14.831 365 HH TYR 52 HH TYR 52 6.268 -1.292 17.144 366 H VAL 53 H VAL 53 3.340 0.073 13.512 367 HA VAL 53 HA VAL 53 4.325 -1.436 11.260 368 HB VAL 53 HB VAL 53 3.408 -2.352 13.991 369 1HG1 VAL 53 1HG1 VAL 53 3.063 -4.137 12.372 370 2HG1 VAL 53 2HG1 VAL 53 4.711 -3.934 11.772 371 3HG1 VAL 53 3HG1 VAL 53 4.435 -4.513 13.415 372 1HG2 VAL 53 1HG2 VAL 53 6.179 -2.211 12.815 373 2HG2 VAL 53 2HG2 VAL 53 5.484 -0.989 13.877 374 3HG2 VAL 53 3HG2 VAL 53 5.742 -2.628 14.473 375 H ASP 54 H ASP 54 1.247 -1.017 12.928 376 HA ASP 54 HA ASP 54 -0.179 -3.078 11.670 377 1HB ASP 54 2HB ASP 54 -1.105 -0.421 12.777 378 2HB ASP 54 1HB ASP 54 -2.206 -1.675 12.212 379 H LEU 55 H LEU 55 0.025 0.381 10.829 380 HA LEU 55 HA LEU 55 -1.451 0.165 8.442 381 1HB LEU 55 2HB LEU 55 -1.075 2.387 8.203 382 2HB LEU 55 1HB LEU 55 -0.577 2.247 9.872 383 HG LEU 55 HG LEU 55 1.804 1.851 8.781 384 1HD1 LEU 55 1HD1 LEU 55 0.355 3.490 6.704 385 2HD1 LEU 55 2HD1 LEU 55 1.029 1.877 6.475 386 3HD1 LEU 55 3HD1 LEU 55 2.100 3.243 6.786 387 1HD2 LEU 55 1HD2 LEU 55 0.485 4.551 9.044 388 2HD2 LEU 55 2HD2 LEU 55 2.224 4.256 9.009 389 3HD2 LEU 55 3HD2 LEU 55 1.249 3.632 10.341 390 H LYS 56 H LYS 56 1.975 -0.168 9.183 391 HA LYS 56 HA LYS 56 2.879 -0.359 6.509 392 1HB LYS 56 2HB LYS 56 4.413 0.097 8.366 393 2HB LYS 56 1HB LYS 56 4.079 -1.490 9.047 394 1HG LYS 56 2HG LYS 56 6.220 -1.447 7.891 395 2HG LYS 56 1HG LYS 56 5.092 -2.558 7.111 396 1HD LYS 56 2HD LYS 56 6.286 -1.278 5.434 397 2HD LYS 56 1HD LYS 56 4.581 -0.822 5.435 398 1HE LYS 56 2HE LYS 56 5.115 1.163 6.762 399 2HE LYS 56 1HE LYS 56 6.815 0.699 6.780 400 1HZ LYS 56 1HZ LYS 56 6.371 2.373 5.099 401 2HZ LYS 56 2HZ LYS 56 5.230 1.369 4.357 402 3HZ LYS 56 3HZ LYS 56 6.862 0.926 4.373 403 H ASP 57 H ASP 57 1.367 -2.568 8.697 404 HA ASP 57 HA ASP 57 2.080 -4.986 7.412 405 1HB ASP 57 2HB ASP 57 1.130 -4.754 9.746 406 2HB ASP 57 1HB ASP 57 -0.436 -4.468 9.002 407 H LYS 58 H LYS 58 -0.772 -2.892 7.245 408 HA LYS 58 HA LYS 58 -2.238 -4.326 5.358 409 1HB LYS 58 2HB LYS 58 -3.024 -2.331 6.685 410 2HB LYS 58 1HB LYS 58 -2.125 -1.311 5.572 411 1HG LYS 58 2HG LYS 58 -4.123 -3.226 4.474 412 2HG LYS 58 1HG LYS 58 -4.685 -1.742 5.244 413 1HD LYS 58 2HD LYS 58 -3.278 -0.429 3.720 414 2HD LYS 58 1HD LYS 58 -2.737 -1.919 2.944 415 1HE LYS 58 2HE LYS 58 -5.043 -2.408 2.284 416 2HE LYS 58 1HE LYS 58 -5.579 -0.917 3.058 417 1HZ LYS 58 1HZ LYS 58 -4.211 0.334 1.507 418 2HZ LYS 58 2HZ LYS 58 -5.319 -0.634 0.675 419 3HZ LYS 58 3HZ LYS 58 -3.697 -1.097 0.767 420 H TRP 59 H TRP 59 0.386 -2.026 4.983 421 HA TRP 59 HA TRP 59 0.262 -1.811 2.155 422 1HB TRP 59 2HB TRP 59 1.476 -0.074 3.034 423 2HB TRP 59 1HB TRP 59 2.166 -1.060 4.313 424 HD1 TRP 59 HD1 TRP 59 4.378 -2.491 3.689 425 HE1 TRP 59 HE1 TRP 59 6.196 -2.075 1.910 426 HE3 TRP 59 HE3 TRP 59 1.857 0.804 0.702 427 HZ2 TRP 59 HZ2 TRP 59 6.514 -0.556 -0.446 428 HZ3 TRP 59 HZ3 TRP 59 2.990 1.692 -1.293 429 HH2 TRP 59 HH2 TRP 59 5.271 1.024 -1.853 430 H LYS 60 H LYS 60 2.185 -3.775 4.370 431 HA LYS 60 HA LYS 60 3.749 -5.132 2.504 432 1HB LYS 60 2HB LYS 60 4.535 -5.507 4.612 433 2HB LYS 60 1HB LYS 60 2.929 -5.552 5.320 434 1HG LYS 60 2HG LYS 60 3.723 -7.816 3.574 435 2HG LYS 60 1HG LYS 60 4.473 -7.695 5.166 436 1HD LYS 60 2HD LYS 60 2.293 -7.668 6.228 437 2HD LYS 60 1HD LYS 60 1.499 -7.674 4.653 438 1HE LYS 60 2HE LYS 60 2.456 -9.870 4.174 439 2HE LYS 60 1HE LYS 60 3.271 -9.862 5.738 440 1HZ LYS 60 1HZ LYS 60 0.329 -9.810 5.317 441 2HZ LYS 60 2HZ LYS 60 1.108 -9.802 6.819 442 3HZ LYS 60 3HZ LYS 60 1.234 -11.154 5.810 443 H THR 61 H THR 61 0.464 -5.662 3.567 444 HA THR 61 HA THR 61 0.241 -8.218 2.208 445 HB THR 61 HB THR 61 -1.925 -6.541 3.499 446 HG1 THR 61 HG1 THR 61 -0.108 -8.438 4.495 447 1HG2 THR 61 1HG2 THR 61 -1.895 -9.443 2.659 448 2HG2 THR 61 2HG2 THR 61 -2.809 -8.147 1.886 449 3HG2 THR 61 3HG2 THR 61 -3.201 -8.642 3.533 450 H LEU 62 H LEU 62 -0.401 -4.880 1.655 451 HA LEU 62 HA LEU 62 -2.222 -5.119 -0.494 452 1HB LEU 62 2HB LEU 62 -2.293 -3.001 0.285 453 2HB LEU 62 1HB LEU 62 -0.618 -3.022 0.798 454 HG LEU 62 HG LEU 62 -0.023 -2.724 -1.670 455 1HD1 LEU 62 1HD1 LEU 62 -1.740 -1.693 -3.060 456 2HD1 LEU 62 2HD1 LEU 62 -2.932 -1.943 -1.784 457 3HD1 LEU 62 3HD1 LEU 62 -2.201 -3.330 -2.591 458 1HD2 LEU 62 1HD2 LEU 62 -1.501 -0.538 -0.214 459 2HD2 LEU 62 2HD2 LEU 62 -0.343 -0.310 -1.524 460 3HD2 LEU 62 3HD2 LEU 62 0.190 -0.978 0.020 461 H VAL 63 H VAL 63 1.279 -5.113 -0.260 462 HA VAL 63 HA VAL 63 1.600 -5.107 -3.150 463 HB VAL 63 HB VAL 63 4.022 -5.208 -2.677 464 1HG1 VAL 63 1HG1 VAL 63 4.218 -2.984 -1.670 465 2HG1 VAL 63 2HG1 VAL 63 2.918 -3.047 -2.861 466 3HG1 VAL 63 3HG1 VAL 63 2.538 -3.080 -1.140 467 1HG2 VAL 63 1HG2 VAL 63 4.814 -4.982 -0.363 468 2HG2 VAL 63 2HG2 VAL 63 3.159 -5.180 0.214 469 3HG2 VAL 63 3HG2 VAL 63 3.966 -6.506 -0.622 470 H HIS 64 H HIS 64 1.723 -7.343 -0.457 471 HA HIS 64 HA HIS 64 2.993 -9.472 -1.843 472 1HB HIS 64 2HB HIS 64 3.035 -9.473 0.556 473 2HB HIS 64 1HB HIS 64 1.278 -9.411 0.641 474 HD1 HIS 64 HD1 HIS 64 4.092 -11.770 -0.220 475 HD2 HIS 64 HD2 HIS 64 0.009 -11.847 0.542 476 HE1 HIS 64 HE1 HIS 64 3.492 -14.204 -0.026 477 HE2 HIS 64 HE2 HIS 64 1.034 -14.223 0.532 478 H THR 65 H THR 65 -0.359 -8.531 -1.339 479 HA THR 65 HA THR 65 -1.434 -10.885 -2.594 480 HB THR 65 HB THR 65 -2.847 -8.274 -2.012 481 HG1 THR 65 HG1 THR 65 -2.941 -8.903 0.012 482 1HG2 THR 65 1HG2 THR 65 -4.073 -9.719 -3.545 483 2HG2 THR 65 2HG2 THR 65 -4.866 -9.688 -1.970 484 3HG2 THR 65 3HG2 THR 65 -3.887 -11.079 -2.438 485 H ALA 66 H ALA 66 -0.151 -7.923 -3.680 486 HA ALA 66 HA ALA 66 -1.594 -7.287 -5.935 487 1HB ALA 66 1HB ALA 66 0.439 -6.285 -6.815 488 2HB ALA 66 2HB ALA 66 0.278 -5.956 -5.090 489 3HB ALA 66 3HB ALA 66 1.406 -7.190 -5.649 490 H LYS 67 H LYS 67 1.486 -9.062 -6.223 491 HA LYS 67 HA LYS 67 0.301 -11.159 -7.777 492 1HB LYS 67 2HB LYS 67 1.380 -10.694 -9.886 493 2HB LYS 67 1HB LYS 67 0.375 -9.324 -9.437 494 1HG LYS 67 2HG LYS 67 3.326 -9.394 -8.888 495 2HG LYS 67 1HG LYS 67 2.657 -8.814 -10.414 496 1HD LYS 67 2HD LYS 67 1.325 -7.154 -9.164 497 2HD LYS 67 1HD LYS 67 2.074 -7.711 -7.667 498 1HE LYS 67 2HE LYS 67 4.270 -7.068 -8.522 499 2HE LYS 67 1HE LYS 67 3.530 -6.526 -10.028 500 1HZ LYS 67 1HZ LYS 67 2.296 -4.865 -8.779 501 2HZ LYS 67 2HZ LYS 67 3.958 -4.678 -8.533 502 3HZ LYS 67 3HZ LYS 67 3.002 -5.390 -7.334 503 H ILE 68 H ILE 68 2.214 -10.535 -5.491 504 HA ILE 68 HA ILE 68 4.802 -11.370 -6.154 505 HB ILE 68 HB ILE 68 3.296 -11.702 -3.554 506 1HG1 ILE 68 2HG1 ILE 68 3.544 -9.372 -4.277 507 2HG1 ILE 68 1HG1 ILE 68 4.534 -9.699 -2.859 508 1HG2 ILE 68 1HG2 ILE 68 5.142 -13.261 -3.609 509 2HG2 ILE 68 2HG2 ILE 68 5.521 -11.932 -2.513 510 3HG2 ILE 68 3HG2 ILE 68 6.245 -11.983 -4.120 511 1HD1 ILE 68 1HD1 ILE 68 5.716 -8.312 -4.457 512 2HD1 ILE 68 2HD1 ILE 68 5.513 -9.545 -5.701 513 3HD1 ILE 68 3HD1 ILE 68 6.509 -9.878 -4.285 514 H SER 69 H SER 69 1.858 -13.149 -5.676 515 HA SER 69 HA SER 69 1.319 -15.354 -5.808 516 1HB SER 69 2HB SER 69 3.789 -15.417 -7.554 517 2HB SER 69 1HB SER 69 2.555 -16.676 -7.491 518 HG SER 69 HG SER 69 2.482 -14.827 -9.153 519 HA PRO 70 HA PRO 70 4.202 -16.821 -2.562 520 1HB PRO 70 2HB PRO 70 1.871 -17.809 -1.174 521 2HB PRO 70 1HB PRO 70 2.955 -16.500 -0.703 522 1HG PRO 70 2HG PRO 70 0.343 -16.132 -1.446 523 2HG PRO 70 1HG PRO 70 1.600 -14.893 -1.591 524 1HD PRO 70 2HD PRO 70 0.465 -16.698 -3.689 525 2HD PRO 70 1HD PRO 70 0.927 -14.985 -3.802 526 H GLN 71 H GLN 71 2.085 -18.280 -4.719 527 HA GLN 71 HA GLN 71 2.732 -20.993 -3.801 528 1HB GLN 71 2HB GLN 71 0.651 -20.063 -5.787 529 2HB GLN 71 1HB GLN 71 0.923 -21.732 -5.307 530 1HG GLN 71 2HG GLN 71 0.036 -19.503 -3.490 531 2HG GLN 71 1HG GLN 71 -0.997 -20.762 -4.165 532 1HE2 GLN 71 1HE2 GLN 71 1.494 -20.019 -1.862 533 2HE2 GLN 71 2HE2 GLN 71 1.380 -21.486 -0.956 534 H GLN 72 H GLN 72 4.583 -19.189 -5.257 535 HA GLN 72 HA GLN 72 4.792 -19.990 -7.957 536 1HB GLN 72 2HB GLN 72 6.735 -18.781 -6.008 537 2HB GLN 72 1HB GLN 72 7.241 -19.236 -7.629 538 1HG GLN 72 2HG GLN 72 5.579 -17.744 -8.586 539 2HG GLN 72 1HG GLN 72 5.025 -17.308 -6.970 540 1HE2 GLN 72 1HE2 GLN 72 6.330 -16.010 -5.668 541 2HE2 GLN 72 2HE2 GLN 72 7.625 -15.072 -6.318 542 H ARG 73 H ARG 73 5.001 -21.910 -5.340 543 HA ARG 73 HA ARG 73 5.799 -24.001 -4.943 544 1HB ARG 73 2HB ARG 73 5.018 -24.077 -7.480 545 2HB ARG 73 1HB ARG 73 6.740 -24.292 -7.762 546 1HG ARG 73 2HG ARG 73 6.727 -26.247 -6.280 547 2HG ARG 73 1HG ARG 73 4.993 -26.037 -6.037 548 1HD ARG 73 2HD ARG 73 5.429 -27.747 -7.712 549 2HD ARG 73 1HD ARG 73 4.618 -26.357 -8.433 550 HE ARG 73 HE ARG 73 7.407 -26.067 -8.701 551 1HH1 ARG 73 1HH1 ARG 73 4.757 -27.963 -9.937 552 2HH1 ARG 73 2HH1 ARG 73 5.511 -28.254 -11.469 553 1HH2 ARG 73 1HH2 ARG 73 8.406 -26.444 -10.714 554 2HH2 ARG 73 2HH2 ARG 73 7.587 -27.391 -11.911 555 H ARG 74 H ARG 74 8.006 -25.352 -6.193 556 HA ARG 74 HA ARG 74 10.254 -25.587 -5.985 557 1HB ARG 74 2HB ARG 74 10.239 -22.580 -6.311 558 2HB ARG 74 1HB ARG 74 11.669 -23.601 -6.408 559 1HG ARG 74 2HG ARG 74 10.730 -24.741 -8.351 560 2HG ARG 74 1HG ARG 74 9.290 -23.724 -8.250 561 1HD ARG 74 2HD ARG 74 10.849 -22.901 -9.944 562 2HD ARG 74 1HD ARG 74 10.648 -21.740 -8.634 563 HE ARG 74 HE ARG 74 12.871 -23.402 -8.119 564 1HH1 ARG 74 1HH1 ARG 74 11.850 -20.782 -10.177 565 2HH1 ARG 74 2HH1 ARG 74 13.450 -20.154 -10.389 566 1HH2 ARG 74 1HH2 ARG 74 14.980 -22.582 -8.391 567 2HH2 ARG 74 2HH2 ARG 74 15.229 -21.177 -9.373 568 H GLY 75 H GLY 75 12.245 -24.332 -4.712 569 1HA GLY 75 1HA GLY 75 11.697 -24.831 -1.986 570 2HA GLY 75 2HA GLY 75 13.156 -24.084 -2.618 571 H GLU 76 H GLU 76 9.941 -23.514 -1.373 572 HA GLU 76 HA GLU 76 10.725 -20.962 -0.339 573 1HB GLU 76 2HB GLU 76 10.196 -20.346 -2.666 574 2HB GLU 76 1HB GLU 76 8.589 -21.033 -2.477 575 1HG GLU 76 2HG GLU 76 8.097 -19.381 -0.737 576 2HG GLU 76 1HG GLU 76 9.701 -18.684 -0.957 577 HA PRO 77 HA PRO 77 7.500 -23.134 2.133 578 1HB PRO 77 2HB PRO 77 8.580 -22.529 4.548 579 2HB PRO 77 1HB PRO 77 9.095 -23.915 3.587 580 1HG PRO 77 2HG PRO 77 10.377 -21.233 3.878 581 2HG PRO 77 1HG PRO 77 11.133 -22.835 3.827 582 1HD PRO 77 2HD PRO 77 11.062 -21.159 1.688 583 2HD PRO 77 1HD PRO 77 11.076 -22.926 1.533 584 H VAL 78 H VAL 78 8.787 -20.589 4.151 585 HA VAL 78 HA VAL 78 6.186 -19.308 4.228 586 HB VAL 78 HB VAL 78 8.706 -18.603 5.743 587 1HG1 VAL 78 1HG1 VAL 78 5.833 -17.799 6.193 588 2HG1 VAL 78 2HG1 VAL 78 7.184 -17.417 7.260 589 3HG1 VAL 78 3HG1 VAL 78 7.135 -16.752 5.628 590 1HG2 VAL 78 1HG2 VAL 78 7.986 -20.870 6.254 591 2HG2 VAL 78 2HG2 VAL 78 7.681 -19.800 7.623 592 3HG2 VAL 78 3HG2 VAL 78 6.350 -20.294 6.579 593 HA PRO 79 HA PRO 79 7.382 -16.203 1.253 594 1HB PRO 79 2HB PRO 79 5.157 -14.586 2.250 595 2HB PRO 79 1HB PRO 79 5.364 -15.347 0.672 596 1HG PRO 79 2HG PRO 79 3.541 -16.214 2.466 597 2HG PRO 79 1HG PRO 79 4.364 -17.309 1.339 598 1HD PRO 79 2HD PRO 79 4.925 -16.801 4.239 599 2HD PRO 79 1HD PRO 79 4.904 -18.337 3.348 600 H GLN 80 H GLN 80 9.299 -15.452 2.193 601 HA GLN 80 HA GLN 80 9.109 -13.390 4.262 602 1HB GLN 80 2HB GLN 80 11.435 -14.909 3.088 603 2HB GLN 80 1HB GLN 80 11.638 -13.565 4.200 604 1HG GLN 80 2HG GLN 80 10.024 -16.012 4.855 605 2HG GLN 80 1HG GLN 80 11.743 -15.861 5.212 606 1HE2 GLN 80 1HE2 GLN 80 11.410 -16.023 7.419 607 2HE2 GLN 80 2HE2 GLN 80 10.711 -14.743 8.347 608 H GLU 81 H GLU 81 9.703 -13.797 0.898 609 HA GLU 81 HA GLU 81 11.215 -11.646 0.168 610 1HB GLU 81 2HB GLU 81 8.783 -12.800 -1.192 611 2HB GLU 81 1HB GLU 81 9.835 -11.609 -1.943 612 1HG GLU 81 2HG GLU 81 11.725 -13.161 -1.719 613 2HG GLU 81 1HG GLU 81 10.636 -14.359 -1.020 614 H LEU 82 H LEU 82 7.798 -11.634 1.059 615 HA LEU 82 HA LEU 82 7.214 -9.006 0.288 616 1HB LEU 82 2HB LEU 82 5.357 -9.143 1.938 617 2HB LEU 82 1HB LEU 82 5.417 -10.478 0.805 618 HG LEU 82 HG LEU 82 6.832 -11.510 2.888 619 1HD1 LEU 82 1HD1 LEU 82 6.410 -9.582 4.310 620 2HD1 LEU 82 2HD1 LEU 82 5.578 -11.009 4.930 621 3HD1 LEU 82 3HD1 LEU 82 4.675 -9.766 4.065 622 1HD2 LEU 82 1HD2 LEU 82 4.792 -12.758 3.407 623 2HD2 LEU 82 2HD2 LEU 82 5.041 -12.614 1.668 624 3HD2 LEU 82 3HD2 LEU 82 3.847 -11.597 2.474 625 H LEU 83 H LEU 83 8.221 -10.241 3.489 626 HA LEU 83 HA LEU 83 8.307 -7.712 4.730 627 1HB LEU 83 2HB LEU 83 9.457 -10.397 5.346 628 2HB LEU 83 1HB LEU 83 10.036 -9.009 6.246 629 HG LEU 83 HG LEU 83 7.143 -9.859 6.087 630 1HD1 LEU 83 1HD1 LEU 83 8.480 -11.511 7.275 631 2HD1 LEU 83 2HD1 LEU 83 7.440 -10.621 8.387 632 3HD1 LEU 83 3HD1 LEU 83 9.160 -10.240 8.293 633 1HD2 LEU 83 1HD2 LEU 83 6.837 -8.276 7.930 634 2HD2 LEU 83 2HD2 LEU 83 7.427 -7.470 6.476 635 3HD2 LEU 83 3HD2 LEU 83 8.533 -7.808 7.808 636 H ASN 84 H ASN 84 10.599 -9.459 2.769 637 HA ASN 84 HA ASN 84 12.888 -7.923 3.430 638 1HB ASN 84 2HB ASN 84 13.063 -10.132 2.388 639 2HB ASN 84 1HB ASN 84 12.284 -9.521 0.934 640 1HD2 ASN 84 1HD2 ASN 84 14.033 -10.034 -0.357 641 2HD2 ASN 84 2HD2 ASN 84 15.513 -9.145 -0.310 642 H ARG 85 H ARG 85 10.569 -7.710 0.738 643 HA ARG 85 HA ARG 85 11.867 -5.439 -0.425 644 1HB ARG 85 2HB ARG 85 9.963 -5.377 -1.952 645 2HB ARG 85 1HB ARG 85 10.597 -7.010 -1.800 646 1HG ARG 85 2HG ARG 85 8.782 -7.597 -0.296 647 2HG ARG 85 1HG ARG 85 8.160 -5.948 -0.384 648 1HD ARG 85 2HD ARG 85 8.419 -7.864 -2.700 649 2HD ARG 85 1HD ARG 85 6.922 -7.464 -1.857 650 HE ARG 85 HE ARG 85 7.559 -5.069 -2.633 651 1HH1 ARG 85 1HH1 ARG 85 8.029 -8.022 -4.421 652 2HH1 ARG 85 2HH1 ARG 85 7.889 -7.258 -5.970 653 1HH2 ARG 85 1HH2 ARG 85 7.371 -4.055 -4.665 654 2HH2 ARG 85 2HH2 ARG 85 7.516 -5.003 -6.109 655 H VAL 86 H VAL 86 9.294 -5.892 1.895 656 HA VAL 86 HA VAL 86 8.212 -3.267 1.694 657 HB VAL 86 HB VAL 86 8.015 -5.382 3.833 658 1HG1 VAL 86 1HG1 VAL 86 6.736 -2.649 3.799 659 2HG1 VAL 86 2HG1 VAL 86 6.255 -3.969 4.866 660 3HG1 VAL 86 3HG1 VAL 86 7.870 -3.276 4.995 661 1HG2 VAL 86 1HG2 VAL 86 5.747 -5.610 3.058 662 2HG2 VAL 86 2HG2 VAL 86 5.938 -4.233 1.973 663 3HG2 VAL 86 3HG2 VAL 86 6.835 -5.721 1.674 664 H LEU 87 H LEU 87 10.395 -4.768 4.085 665 HA LEU 87 HA LEU 87 10.859 -2.365 5.509 666 1HB LEU 87 2HB LEU 87 12.549 -4.863 5.367 667 2HB LEU 87 1HB LEU 87 12.723 -3.585 6.555 668 HG LEU 87 HG LEU 87 10.290 -5.348 6.245 669 1HD1 LEU 87 1HD1 LEU 87 11.011 -6.347 8.357 670 2HD1 LEU 87 2HD1 LEU 87 12.473 -5.361 8.326 671 3HD1 LEU 87 3HD1 LEU 87 12.209 -6.588 7.085 672 1HD2 LEU 87 1HD2 LEU 87 9.736 -3.128 7.092 673 2HD2 LEU 87 2HD2 LEU 87 10.979 -3.283 8.334 674 3HD2 LEU 87 3HD2 LEU 87 9.572 -4.345 8.357 675 H ASN 88 H ASN 88 12.363 -3.831 2.715 676 HA ASN 88 HA ASN 88 14.718 -2.225 2.728 677 1HB ASN 88 2HB ASN 88 14.544 -4.384 1.517 678 2HB ASN 88 1HB ASN 88 13.403 -3.642 0.400 679 1HD2 ASN 88 1HD2 ASN 88 14.718 -4.002 -1.368 680 2HD2 ASN 88 2HD2 ASN 88 16.167 -3.102 -1.644 681 H ALA 89 H ALA 89 11.824 -2.138 0.654 682 HA ALA 89 HA ALA 89 12.370 0.194 -0.725 683 1HB ALA 89 1HB ALA 89 9.979 0.343 -1.163 684 2HB ALA 89 2HB ALA 89 10.535 -1.325 -1.292 685 3HB ALA 89 3HB ALA 89 9.656 -0.796 0.142 686 H HIS 90 H HIS 90 10.779 -0.198 2.416 687 HA HIS 90 HA HIS 90 10.054 2.483 2.800 688 1HB HIS 90 2HB HIS 90 9.142 0.713 4.197 689 2HB HIS 90 1HB HIS 90 10.744 0.348 4.831 690 HD1 HIS 90 HD1 HIS 90 10.469 0.953 7.240 691 HD2 HIS 90 HD2 HIS 90 9.131 3.950 4.693 692 HE1 HIS 90 HE1 HIS 90 9.932 2.909 8.728 693 HE2 HIS 90 HE2 HIS 90 9.208 4.739 7.155 694 H GLY 91 H GLY 91 12.871 0.696 4.053 695 1HA GLY 91 1HA GLY 91 14.196 2.831 5.246 696 2HA GLY 91 2HA GLY 91 14.984 1.391 4.614 697 H TYR 92 H TYR 92 14.005 1.904 1.890 698 HA TYR 92 HA TYR 92 16.184 3.461 0.947 699 1HB TYR 92 2HB TYR 92 15.473 1.789 -0.530 700 2HB TYR 92 1HB TYR 92 13.774 2.195 -0.330 701 HD1 TYR 92 HD1 TYR 92 12.726 3.796 -1.717 702 HD2 TYR 92 HD2 TYR 92 16.934 3.246 -1.939 703 HE1 TYR 92 HE1 TYR 92 12.779 5.134 -3.774 704 HE2 TYR 92 HE2 TYR 92 17.007 4.589 -4.000 705 HH TYR 92 HH TYR 92 14.394 6.481 -5.052 706 H TRP 93 H TRP 93 12.677 4.112 1.139 707 HA TRP 93 HA TRP 93 12.704 6.644 -0.023 708 1HB TRP 93 2HB TRP 93 10.960 5.814 2.306 709 2HB TRP 93 1HB TRP 93 10.624 7.082 1.136 710 HD1 TRP 93 HD1 TRP 93 11.408 5.213 -1.457 711 HE1 TRP 93 HE1 TRP 93 9.683 3.455 -2.202 712 HE3 TRP 93 HE3 TRP 93 8.714 4.845 2.868 713 HZ2 TRP 93 HZ2 TRP 93 7.466 2.096 -1.097 714 HZ3 TRP 93 HZ3 TRP 93 6.803 3.298 2.941 715 HH2 TRP 93 HH2 TRP 93 6.193 1.953 0.999 716 H THR 94 H THR 94 12.878 5.817 3.435 717 HA THR 94 HA THR 94 13.325 8.417 4.372 718 HB THR 94 HB THR 94 14.212 7.372 6.423 719 HG1 THR 94 HG1 THR 94 14.240 5.079 4.759 720 1HG2 THR 94 1HG2 THR 94 12.228 6.047 6.998 721 2HG2 THR 94 2HG2 THR 94 11.798 5.953 5.290 722 3HG2 THR 94 3HG2 THR 94 11.791 7.511 6.115 723 H GLN 95 H GLN 95 15.661 5.847 3.598 724 HA GLN 95 HA GLN 95 17.946 7.439 4.148 725 1HB GLN 95 2HB GLN 95 17.570 4.881 2.600 726 2HB GLN 95 1HB GLN 95 19.142 5.645 2.791 727 1HG GLN 95 2HG GLN 95 18.949 5.441 5.217 728 2HG GLN 95 1HG GLN 95 17.373 4.674 5.024 729 1HE2 GLN 95 1HE2 GLN 95 19.821 3.658 6.252 730 2HE2 GLN 95 2HE2 GLN 95 20.205 2.197 5.414 731 H GLN 96 H GLN 96 15.741 7.394 1.585 732 HA GLN 96 HA GLN 96 17.547 8.240 -0.462 733 1HB GLN 96 2HB GLN 96 15.451 7.124 -1.060 734 2HB GLN 96 1HB GLN 96 14.530 8.427 -0.322 735 1HG GLN 96 2HG GLN 96 15.643 9.972 -1.989 736 2HG GLN 96 1HG GLN 96 16.202 8.516 -2.811 737 1HE2 GLN 96 1HE2 GLN 96 13.760 7.046 -2.085 738 2HE2 GLN 96 2HE2 GLN 96 12.528 7.637 -3.139 739 H GLN 97 H GLN 97 15.483 9.728 1.918 740 HA GLN 97 HA GLN 97 15.324 11.841 2.733 741 1HB GLN 97 2HB GLN 97 17.891 11.624 2.510 742 2HB GLN 97 1HB GLN 97 17.711 12.645 1.088 743 1HG GLN 97 2HG GLN 97 16.776 14.417 2.411 744 2HG GLN 97 1HG GLN 97 16.750 13.390 3.843 745 1HE2 GLN 97 1HE2 GLN 97 18.710 12.866 4.858 746 2HE2 GLN 97 2HE2 GLN 97 20.133 13.815 4.617 747 H MET 98 H MET 98 14.178 11.003 0.119 748 HA MET 98 HA MET 98 12.924 11.881 -1.563 749 1HB MET 98 2HB MET 98 12.033 13.201 0.380 750 2HB MET 98 1HB MET 98 13.153 14.486 -0.048 751 1HG MET 98 2HG MET 98 10.886 14.902 -0.870 752 2HG MET 98 1HG MET 98 12.062 14.788 -2.176 753 1HE MET 98 1HE MET 98 9.132 13.011 -0.278 754 2HE MET 98 2HE MET 98 10.453 11.858 -0.084 755 3HE MET 98 3HE MET 98 9.068 11.448 -1.092 756 H GLN 99 H GLN 99 16.045 12.489 -1.238 757 HA GLN 99 HA GLN 99 16.377 14.652 -3.120 758 1HB GLN 99 2HB GLN 99 18.435 12.724 -2.034 759 2HB GLN 99 1HB GLN 99 18.767 14.218 -2.898 760 1HG GLN 99 2HG GLN 99 17.725 15.485 -1.071 761 2HG GLN 99 1HG GLN 99 17.456 13.974 -0.200 762 1HE2 GLN 99 1HE2 GLN 99 19.787 16.322 -1.225 763 2HE2 GLN 99 2HE2 GLN 99 21.100 15.747 -0.261 764 H GLN 100 H GLN 100 15.740 11.357 -3.324 765 HA GLN 100 HA GLN 100 15.725 9.844 -5.021 766 1HB GLN 100 2HB GLN 100 15.981 12.324 -6.736 767 2HB GLN 100 1HB GLN 100 15.523 10.728 -7.316 768 1HG GLN 100 2HG GLN 100 13.521 10.791 -5.922 769 2HG GLN 100 1HG GLN 100 13.980 12.390 -5.337 770 1HE2 GLN 100 1HE2 GLN 100 14.997 13.217 -7.949 771 2HE2 GLN 100 2HE2 GLN 100 13.606 13.530 -8.925 772 H LEU 101 H LEU 101 18.252 10.596 -3.784 773 HA LEU 101 HA LEU 101 20.392 10.951 -5.467 774 1HB LEU 101 2HB LEU 101 20.266 9.093 -3.090 775 2HB LEU 101 1HB LEU 101 21.734 9.715 -3.820 776 HG LEU 101 HG LEU 101 19.624 11.409 -2.481 777 1HD1 LEU 101 1HD1 LEU 101 22.339 10.538 -1.503 778 2HD1 LEU 101 2HD1 LEU 101 20.783 9.994 -0.876 779 3HD1 LEU 101 3HD1 LEU 101 21.267 11.680 -0.694 780 1HD2 LEU 101 1HD2 LEU 101 22.364 12.103 -3.531 781 2HD2 LEU 101 2HD2 LEU 101 21.300 13.188 -2.638 782 3HD2 LEU 101 3HD2 LEU 101 20.825 12.602 -4.232 783 H GLN 102 H GLN 102 18.493 8.047 -4.974 784 HA GLN 102 HA GLN 102 20.170 6.657 -6.959 785 1HB GLN 102 2HB GLN 102 20.113 5.549 -4.766 786 2HB GLN 102 1HB GLN 102 18.358 5.475 -4.843 787 1HG GLN 102 2HG GLN 102 18.494 4.014 -6.786 788 2HG GLN 102 1HG GLN 102 20.254 4.102 -6.736 789 1HE2 GLN 102 1HE2 GLN 102 20.467 1.888 -6.463 790 2HE2 GLN 102 2HE2 GLN 102 20.077 1.098 -4.977 791 H GLN 103 H GLN 103 19.268 6.870 -8.904 792 HA GLN 103 HA GLN 103 16.368 6.946 -9.182 793 1HB GLN 103 2HB GLN 103 18.556 7.303 -11.239 794 2HB GLN 103 1HB GLN 103 16.836 7.509 -11.541 795 1HG GLN 103 2HG GLN 103 16.777 9.350 -9.935 796 2HG GLN 103 1HG GLN 103 18.503 9.146 -9.642 797 1HE2 GLN 103 1HE2 GLN 103 19.973 9.757 -11.230 798 2HE2 GLN 103 2HE2 GLN 103 19.531 10.788 -12.544 799 H ASN 104 H ASN 104 18.463 4.546 -8.825 800 HA ASN 104 HA ASN 104 17.727 2.861 -11.044 801 1HB ASN 104 2HB ASN 104 19.186 2.202 -8.476 802 2HB ASN 104 1HB ASN 104 19.017 1.122 -9.856 803 1HD2 ASN 104 1HD2 ASN 104 20.539 3.988 -8.621 804 2HD2 ASN 104 2HD2 ASN 104 21.733 4.133 -9.860 805 H VAL 105 H VAL 105 15.414 2.986 -10.777 806 HA VAL 105 HA VAL 105 14.269 1.684 -8.440 807 HB VAL 105 HB VAL 105 12.857 2.792 -10.870 808 1HG1 VAL 105 1HG1 VAL 105 11.823 2.019 -8.145 809 2HG1 VAL 105 2HG1 VAL 105 10.876 2.787 -9.420 810 3HG1 VAL 105 3HG1 VAL 105 11.523 1.164 -9.658 811 1HG2 VAL 105 1HG2 VAL 105 14.102 4.543 -9.728 812 2HG2 VAL 105 2HG2 VAL 105 12.369 4.745 -9.470 813 3HG2 VAL 105 3HG2 VAL 105 13.377 4.074 -8.189 Start of MODEL 10 1 H GLN 9 H GLN 9 -24.743 12.935 -1.084 2 HA GLN 9 HA GLN 9 -23.489 15.202 0.313 3 1HB GLN 9 2HB GLN 9 -22.151 12.614 -0.495 4 2HB GLN 9 1HB GLN 9 -21.310 14.028 0.124 5 1HG GLN 9 2HG GLN 9 -22.534 13.837 2.229 6 2HG GLN 9 1HG GLN 9 -23.373 12.416 1.608 7 1HE2 GLN 9 1HE2 GLN 9 -22.249 10.483 1.371 8 2HE2 GLN 9 2HE2 GLN 9 -20.728 10.205 2.145 9 H ARG 10 H ARG 10 -23.939 13.379 -2.623 10 HA ARG 10 HA ARG 10 -23.557 13.844 -4.814 11 1HB ARG 10 2HB ARG 10 -23.464 16.690 -3.799 12 2HB ARG 10 1HB ARG 10 -23.606 16.221 -5.487 13 1HG ARG 10 2HG ARG 10 -25.742 15.109 -4.973 14 2HG ARG 10 1HG ARG 10 -25.603 15.666 -3.304 15 1HD ARG 10 2HD ARG 10 -25.607 17.986 -4.079 16 2HD ARG 10 1HD ARG 10 -25.737 17.431 -5.747 17 HE ARG 10 HE ARG 10 -27.837 16.480 -4.021 18 1HH1 ARG 10 1HH1 ARG 10 -26.784 19.052 -6.123 19 2HH1 ARG 10 2HH1 ARG 10 -28.390 19.613 -6.452 20 1HH2 ARG 10 1HH2 ARG 10 -29.953 17.212 -4.450 21 2HH2 ARG 10 2HH2 ARG 10 -30.190 18.567 -5.500 22 H ARG 11 H ARG 11 -21.272 13.531 -2.849 23 HA ARG 11 HA ARG 11 -19.092 15.107 -3.625 24 1HB ARG 11 2HB ARG 11 -19.132 13.650 -1.623 25 2HB ARG 11 1HB ARG 11 -19.063 12.239 -2.669 26 1HG ARG 11 2HG ARG 11 -16.876 12.935 -3.485 27 2HG ARG 11 1HG ARG 11 -16.946 14.370 -2.462 28 1HD ARG 11 2HD ARG 11 -17.051 12.944 -0.474 29 2HD ARG 11 1HD ARG 11 -16.979 11.512 -1.499 30 HE ARG 11 HE ARG 11 -14.761 13.042 -2.126 31 1HH1 ARG 11 1HH1 ARG 11 -16.041 11.408 0.673 32 2HH1 ARG 11 2HH1 ARG 11 -14.483 11.095 1.362 33 1HH2 ARG 11 1HH2 ARG 11 -12.707 12.633 -1.226 34 2HH2 ARG 11 2HH2 ARG 11 -12.588 11.792 0.282 35 H ILE 12 H ILE 12 -17.289 14.590 -4.984 36 HA ILE 12 HA ILE 12 -17.946 13.842 -7.576 37 HB ILE 12 HB ILE 12 -15.200 13.689 -6.327 38 1HG1 ILE 12 2HG1 ILE 12 -16.221 15.886 -5.954 39 2HG1 ILE 12 1HG1 ILE 12 -14.909 15.999 -7.121 40 1HG2 ILE 12 1HG2 ILE 12 -15.302 12.585 -8.479 41 2HG2 ILE 12 2HG2 ILE 12 -14.403 14.095 -8.617 42 3HG2 ILE 12 3HG2 ILE 12 -16.066 14.002 -9.197 43 1HD1 ILE 12 1HD1 ILE 12 -16.538 16.051 -8.941 44 2HD1 ILE 12 2HD1 ILE 12 -16.798 17.362 -7.788 45 3HD1 ILE 12 3HD1 ILE 12 -17.849 15.944 -7.764 46 H ARG 13 H ARG 13 -18.284 11.951 -8.531 47 HA ARG 13 HA ARG 13 -18.122 9.504 -7.100 48 1HB ARG 13 2HB ARG 13 -19.806 9.896 -8.839 49 2HB ARG 13 1HB ARG 13 -18.539 9.996 -10.054 50 1HG ARG 13 2HG ARG 13 -17.937 7.661 -9.606 51 2HG ARG 13 1HG ARG 13 -19.240 7.566 -8.418 52 1HD ARG 13 2HD ARG 13 -20.875 8.054 -10.167 53 2HD ARG 13 1HD ARG 13 -19.576 8.168 -11.354 54 HE ARG 13 HE ARG 13 -19.519 5.660 -10.032 55 1HH1 ARG 13 1HH1 ARG 13 -21.253 7.456 -12.465 56 2HH1 ARG 13 2HH1 ARG 13 -21.766 6.044 -13.325 57 1HH2 ARG 13 1HH2 ARG 13 -20.190 3.796 -11.160 58 2HH2 ARG 13 2HH2 ARG 13 -21.163 3.963 -12.584 59 H ARG 14 H ARG 14 -16.092 8.931 -6.494 60 HA ARG 14 HA ARG 14 -14.413 7.702 -8.416 61 1HB ARG 14 2HB ARG 14 -12.394 9.153 -7.980 62 2HB ARG 14 1HB ARG 14 -13.641 9.875 -8.986 63 1HG ARG 14 2HG ARG 14 -14.460 11.145 -7.067 64 2HG ARG 14 1HG ARG 14 -13.211 10.417 -6.054 65 1HD ARG 14 2HD ARG 14 -11.484 11.415 -7.469 66 2HD ARG 14 1HD ARG 14 -12.730 12.134 -8.488 67 HE ARG 14 HE ARG 14 -13.123 12.936 -5.819 68 1HH1 ARG 14 1HH1 ARG 14 -10.941 13.431 -8.492 69 2HH1 ARG 14 2HH1 ARG 14 -10.490 15.027 -7.995 70 1HH2 ARG 14 1HH2 ARG 14 -12.535 15.038 -5.159 71 2HH2 ARG 14 2HH2 ARG 14 -11.397 15.940 -6.101 72 HA PRO 15 HA PRO 15 -13.965 6.390 -3.961 73 1HB PRO 15 2HB PRO 15 -14.946 3.896 -4.199 74 2HB PRO 15 1HB PRO 15 -16.000 5.296 -3.964 75 1HG PRO 15 2HG PRO 15 -15.341 3.824 -6.485 76 2HG PRO 15 1HG PRO 15 -16.907 4.432 -5.921 77 1HD PRO 15 2HD PRO 15 -15.352 5.729 -7.757 78 2HD PRO 15 1HD PRO 15 -16.491 6.556 -6.677 79 H PHE 16 H PHE 16 -11.967 5.770 -3.452 80 HA PHE 16 HA PHE 16 -10.442 4.146 -5.341 81 1HB PHE 16 2HB PHE 16 -9.602 5.739 -2.914 82 2HB PHE 16 1HB PHE 16 -8.497 4.762 -3.875 83 HD1 PHE 16 HD1 PHE 16 -10.501 7.811 -3.764 84 HD2 PHE 16 HD2 PHE 16 -7.847 5.446 -6.102 85 HE1 PHE 16 HE1 PHE 16 -10.157 9.712 -5.289 86 HE2 PHE 16 HE2 PHE 16 -7.497 7.342 -7.632 87 HZ PHE 16 HZ PHE 16 -8.653 9.478 -7.225 88 H SER 17 H SER 17 -9.551 2.182 -4.854 89 HA SER 17 HA SER 17 -10.177 1.022 -2.225 90 1HB SER 17 2HB SER 17 -10.564 -0.341 -4.902 91 2HB SER 17 1HB SER 17 -10.767 -1.110 -3.327 92 HG SER 17 HG SER 17 -12.191 1.207 -3.575 93 H VAL 18 H VAL 18 -9.008 -1.297 -2.195 94 HA VAL 18 HA VAL 18 -6.260 -0.772 -2.115 95 HB VAL 18 HB VAL 18 -7.318 -2.528 -0.764 96 1HG1 VAL 18 1HG1 VAL 18 -8.890 -3.387 -2.411 97 2HG1 VAL 18 2HG1 VAL 18 -7.558 -4.031 -3.370 98 3HG1 VAL 18 3HG1 VAL 18 -7.890 -4.690 -1.769 99 1HG2 VAL 18 1HG2 VAL 18 -5.147 -3.561 -2.591 100 2HG2 VAL 18 2HG2 VAL 18 -4.911 -2.613 -1.123 101 3HG2 VAL 18 3HG2 VAL 18 -5.579 -4.241 -1.022 102 H ALA 19 H ALA 19 -8.304 -1.888 -4.671 103 HA ALA 19 HA ALA 19 -6.330 -3.065 -6.326 104 1HB ALA 19 1HB ALA 19 -8.603 -3.580 -6.778 105 2HB ALA 19 2HB ALA 19 -9.029 -1.874 -6.931 106 3HB ALA 19 3HB ALA 19 -8.016 -2.644 -8.152 107 H GLU 20 H GLU 20 -7.560 0.207 -5.955 108 HA GLU 20 HA GLU 20 -6.040 1.264 -8.152 109 1HB GLU 20 2HB GLU 20 -7.642 2.557 -5.947 110 2HB GLU 20 1HB GLU 20 -6.777 3.483 -7.163 111 1HG GLU 20 2HG GLU 20 -9.081 3.308 -7.791 112 2HG GLU 20 1HG GLU 20 -8.101 2.365 -8.915 113 H VAL 21 H VAL 21 -5.742 1.215 -4.622 114 HA VAL 21 HA VAL 21 -3.532 2.932 -4.428 115 HB VAL 21 HB VAL 21 -5.014 1.989 -2.530 116 1HG1 VAL 21 1HG1 VAL 21 -4.051 0.090 -1.321 117 2HG1 VAL 21 2HG1 VAL 21 -4.604 -0.369 -2.928 118 3HG1 VAL 21 3HG1 VAL 21 -2.884 -0.144 -2.622 119 1HG2 VAL 21 1HG2 VAL 21 -2.030 2.255 -2.185 120 2HG2 VAL 21 2HG2 VAL 21 -3.207 3.568 -2.173 121 3HG2 VAL 21 3HG2 VAL 21 -3.223 2.359 -0.890 122 H GLU 22 H GLU 22 -3.806 -0.369 -5.435 123 HA GLU 22 HA GLU 22 -1.245 -1.341 -4.994 124 1HB GLU 22 2HB GLU 22 -3.204 -2.601 -5.958 125 2HB GLU 22 1HB GLU 22 -2.876 -1.816 -7.495 126 1HG GLU 22 2HG GLU 22 -0.660 -2.835 -7.548 127 2HG GLU 22 1HG GLU 22 -0.987 -3.625 -6.006 128 H ALA 23 H ALA 23 -2.474 0.485 -7.773 129 HA ALA 23 HA ALA 23 0.047 0.682 -9.078 130 1HB ALA 23 1HB ALA 23 -1.886 0.903 -10.431 131 2HB ALA 23 2HB ALA 23 -2.542 2.182 -9.408 132 3HB ALA 23 3HB ALA 23 -1.120 2.491 -10.403 133 H LEU 24 H LEU 24 -1.748 2.708 -6.839 134 HA LEU 24 HA LEU 24 -0.198 5.030 -6.984 135 1HB LEU 24 2HB LEU 24 -2.361 4.939 -5.861 136 2HB LEU 24 1HB LEU 24 -1.700 3.876 -4.635 137 HG LEU 24 HG LEU 24 -0.155 5.723 -3.954 138 1HD1 LEU 24 1HD1 LEU 24 -1.869 7.348 -5.828 139 2HD1 LEU 24 2HD1 LEU 24 -0.155 6.985 -6.033 140 3HD1 LEU 24 3HD1 LEU 24 -0.687 7.996 -4.690 141 1HD2 LEU 24 1HD2 LEU 24 -1.881 7.011 -2.781 142 2HD2 LEU 24 2HD2 LEU 24 -2.202 5.277 -2.722 143 3HD2 LEU 24 3HD2 LEU 24 -3.111 6.305 -3.830 144 H VAL 25 H VAL 25 0.185 2.137 -4.968 145 HA VAL 25 HA VAL 25 2.439 3.170 -3.554 146 HB VAL 25 HB VAL 25 2.717 0.927 -2.650 147 1HG1 VAL 25 1HG1 VAL 25 0.613 0.750 -1.488 148 2HG1 VAL 25 2HG1 VAL 25 1.012 2.452 -1.712 149 3HG1 VAL 25 3HG1 VAL 25 -0.199 1.687 -2.741 150 1HG2 VAL 25 1HG2 VAL 25 1.345 -0.932 -3.310 151 2HG2 VAL 25 2HG2 VAL 25 0.469 0.073 -4.465 152 3HG2 VAL 25 3HG2 VAL 25 2.170 -0.302 -4.737 153 H GLN 26 H GLN 26 1.961 1.446 -6.524 154 HA GLN 26 HA GLN 26 4.658 0.537 -6.805 155 1HB GLN 26 2HB GLN 26 2.763 -0.528 -7.986 156 2HB GLN 26 1HB GLN 26 2.525 0.946 -8.915 157 1HG GLN 26 2HG GLN 26 3.699 -0.684 -10.239 158 2HG GLN 26 1HG GLN 26 4.760 0.680 -9.888 159 1HE2 GLN 26 1HE2 GLN 26 6.498 0.397 -8.496 160 2HE2 GLN 26 2HE2 GLN 26 7.082 -1.169 -8.058 161 H ALA 27 H ALA 27 3.007 3.499 -7.297 162 HA ALA 27 HA ALA 27 5.001 4.595 -9.100 163 1HB ALA 27 1HB ALA 27 3.647 6.616 -9.054 164 2HB ALA 27 2HB ALA 27 2.647 5.200 -9.381 165 3HB ALA 27 3HB ALA 27 2.645 5.932 -7.776 166 H VAL 28 H VAL 28 4.050 4.886 -5.708 167 HA VAL 28 HA VAL 28 5.990 6.964 -5.186 168 HB VAL 28 HB VAL 28 5.274 6.822 -2.858 169 1HG1 VAL 28 1HG1 VAL 28 2.969 6.788 -4.805 170 2HG1 VAL 28 2HG1 VAL 28 2.924 7.452 -3.170 171 3HG1 VAL 28 3HG1 VAL 28 3.966 8.184 -4.390 172 1HG2 VAL 28 1HG2 VAL 28 4.958 4.426 -2.669 173 2HG2 VAL 28 2HG2 VAL 28 3.480 5.267 -2.200 174 3HG2 VAL 28 3HG2 VAL 28 3.591 4.496 -3.782 175 H GLU 29 H GLU 29 5.994 3.543 -5.221 176 HA GLU 29 HA GLU 29 7.732 2.823 -3.213 177 1HB GLU 29 2HB GLU 29 8.320 0.904 -4.552 178 2HB GLU 29 1HB GLU 29 6.611 1.255 -4.771 179 1HG GLU 29 2HG GLU 29 6.952 1.230 -6.953 180 2HG GLU 29 1HG GLU 29 7.917 2.693 -6.771 181 H LYS 30 H LYS 30 8.413 4.695 -6.033 182 HA LYS 30 HA LYS 30 11.298 4.348 -5.718 183 1HB LYS 30 2HB LYS 30 11.435 5.710 -7.801 184 2HB LYS 30 1HB LYS 30 10.527 4.216 -7.981 185 1HG LYS 30 2HG LYS 30 8.447 5.393 -7.919 186 2HG LYS 30 1HG LYS 30 9.261 6.904 -7.512 187 1HD LYS 30 2HD LYS 30 9.708 5.370 -10.072 188 2HD LYS 30 1HD LYS 30 8.577 6.716 -9.907 189 1HE LYS 30 2HE LYS 30 10.431 8.181 -9.251 190 2HE LYS 30 1HE LYS 30 11.556 6.836 -9.431 191 1HZ LYS 30 1HZ LYS 30 10.983 6.722 -11.778 192 2HZ LYS 30 2HZ LYS 30 11.565 8.260 -11.379 193 3HZ LYS 30 3HZ LYS 30 9.907 8.016 -11.603 194 H LEU 31 H LEU 31 8.899 6.994 -5.748 195 HA LEU 31 HA LEU 31 10.927 8.718 -4.487 196 1HB LEU 31 2HB LEU 31 9.313 10.576 -5.230 197 2HB LEU 31 1HB LEU 31 10.317 9.804 -6.440 198 HG LEU 31 HG LEU 31 8.302 8.321 -6.952 199 1HD1 LEU 31 1HD1 LEU 31 6.917 10.473 -5.359 200 2HD1 LEU 31 2HD1 LEU 31 7.006 8.759 -4.954 201 3HD1 LEU 31 3HD1 LEU 31 6.115 9.282 -6.384 202 1HD2 LEU 31 1HD2 LEU 31 9.055 10.106 -8.426 203 2HD2 LEU 31 2HD2 LEU 31 8.131 11.283 -7.490 204 3HD2 LEU 31 3HD2 LEU 31 7.293 10.020 -8.393 205 H GLY 32 H GLY 32 9.369 6.797 -3.028 206 1HA GLY 32 1HA GLY 32 7.221 8.162 -1.698 207 2HA GLY 32 2HA GLY 32 7.923 6.622 -1.233 208 H THR 33 H THR 33 7.391 7.828 0.882 209 HA THR 33 HA THR 33 9.913 8.722 1.973 210 HB THR 33 HB THR 33 7.522 10.574 2.104 211 HG1 THR 33 HG1 THR 33 8.369 11.137 0.221 212 1HG2 THR 33 1HG2 THR 33 8.843 10.604 4.156 213 2HG2 THR 33 2HG2 THR 33 9.065 12.103 3.253 214 3HG2 THR 33 3HG2 THR 33 10.315 10.860 3.219 215 H GLY 34 H GLY 34 6.493 8.023 2.408 216 1HA GLY 34 1HA GLY 34 6.947 6.402 4.673 217 2HA GLY 34 2HA GLY 34 6.380 7.979 5.199 218 H ARG 35 H ARG 35 5.316 6.723 2.148 219 HA ARG 35 HA ARG 35 3.217 6.357 1.362 220 1HB ARG 35 2HB ARG 35 2.238 4.576 3.374 221 2HB ARG 35 1HB ARG 35 2.796 4.208 1.753 222 1HG ARG 35 2HG ARG 35 4.579 3.186 2.567 223 2HG ARG 35 1HG ARG 35 5.061 4.633 3.448 224 1HD ARG 35 2HD ARG 35 3.079 2.573 4.408 225 2HD ARG 35 1HD ARG 35 4.760 2.697 4.928 226 HE ARG 35 HE ARG 35 2.966 4.977 5.338 227 1HH1 ARG 35 1HH1 ARG 35 4.890 2.381 6.644 228 2HH1 ARG 35 2HH1 ARG 35 4.848 2.993 8.263 229 1HH2 ARG 35 1HH2 ARG 35 2.907 5.790 7.467 230 2HH2 ARG 35 2HH2 ARG 35 3.721 4.930 8.732 231 H TRP 36 H TRP 36 3.436 8.585 3.225 232 HA TRP 36 HA TRP 36 1.259 8.669 5.005 233 1HB TRP 36 2HB TRP 36 2.430 11.029 3.521 234 2HB TRP 36 1HB TRP 36 1.594 11.050 5.071 235 HD1 TRP 36 HD1 TRP 36 4.995 10.535 3.529 236 HE1 TRP 36 HE1 TRP 36 6.738 10.193 5.390 237 HE3 TRP 36 HE3 TRP 36 1.834 10.016 7.514 238 HZ2 TRP 36 HZ2 TRP 36 6.768 9.763 8.181 239 HZ3 TRP 36 HZ3 TRP 36 2.801 9.643 9.745 240 HH2 TRP 36 HH2 TRP 36 5.217 9.519 10.070 241 H ARG 37 H ARG 37 1.593 9.755 1.644 242 HA ARG 37 HA ARG 37 -1.051 10.716 1.372 243 1HB ARG 37 2HB ARG 37 -0.578 10.544 -1.082 244 2HB ARG 37 1HB ARG 37 0.633 11.441 -0.173 245 1HG ARG 37 2HG ARG 37 1.883 9.178 -0.074 246 2HG ARG 37 1HG ARG 37 0.828 8.732 -1.416 247 1HD ARG 37 2HD ARG 37 2.854 9.592 -2.337 248 2HD ARG 37 1HD ARG 37 1.588 10.788 -2.596 249 HE ARG 37 HE ARG 37 2.843 11.453 -0.218 250 1HH1 ARG 37 1HH1 ARG 37 3.680 11.183 -3.590 251 2HH1 ARG 37 2HH1 ARG 37 4.907 12.404 -3.516 252 1HH2 ARG 37 1HH2 ARG 37 4.456 13.060 -0.111 253 2HH2 ARG 37 2HH2 ARG 37 5.348 13.469 -1.539 254 H ASP 38 H ASP 38 0.442 7.581 0.862 255 HA ASP 38 HA ASP 38 -1.714 6.332 -0.444 256 1HB ASP 38 2HB ASP 38 0.432 5.115 1.309 257 2HB ASP 38 1HB ASP 38 -0.633 4.215 0.234 258 H VAL 39 H VAL 39 -0.684 5.916 2.949 259 HA VAL 39 HA VAL 39 -2.860 4.509 3.868 260 HB VAL 39 HB VAL 39 -0.862 4.898 5.229 261 1HG1 VAL 39 1HG1 VAL 39 -0.493 7.247 4.642 262 2HG1 VAL 39 2HG1 VAL 39 -1.912 7.702 5.584 263 3HG1 VAL 39 3HG1 VAL 39 -0.506 7.005 6.389 264 1HG2 VAL 39 1HG2 VAL 39 -1.976 5.303 7.392 265 2HG2 VAL 39 2HG2 VAL 39 -3.414 5.847 6.527 266 3HG2 VAL 39 3HG2 VAL 39 -2.868 4.177 6.369 267 H LYS 40 H LYS 40 -2.628 7.936 3.208 268 HA LYS 40 HA LYS 40 -4.944 8.724 4.629 269 1HB LYS 40 2HB LYS 40 -3.314 9.955 2.435 270 2HB LYS 40 1HB LYS 40 -4.823 10.697 2.944 271 1HG LYS 40 2HG LYS 40 -3.986 10.938 5.200 272 2HG LYS 40 1HG LYS 40 -2.496 10.103 4.759 273 1HD LYS 40 2HD LYS 40 -2.070 12.467 4.775 274 2HD LYS 40 1HD LYS 40 -2.045 11.907 3.104 275 1HE LYS 40 2HE LYS 40 -4.339 12.708 2.803 276 2HE LYS 40 1HE LYS 40 -4.366 13.263 4.477 277 1HZ LYS 40 1HZ LYS 40 -2.543 14.260 2.353 278 2HZ LYS 40 2HZ LYS 40 -2.570 14.795 3.958 279 3HZ LYS 40 3HZ LYS 40 -3.901 15.074 2.954 280 H LEU 41 H LEU 41 -4.446 8.125 1.135 281 HA LEU 41 HA LEU 41 -7.367 7.849 0.885 282 1HB LEU 41 2HB LEU 41 -5.364 8.661 -1.221 283 2HB LEU 41 1HB LEU 41 -7.088 8.473 -1.480 284 HG LEU 41 HG LEU 41 -5.836 10.498 0.378 285 1HD1 LEU 41 1HD1 LEU 41 -6.501 12.145 -1.302 286 2HD1 LEU 41 2HD1 LEU 41 -7.042 10.846 -2.365 287 3HD1 LEU 41 3HD1 LEU 41 -5.334 10.994 -1.954 288 1HD2 LEU 41 1HD2 LEU 41 -8.088 11.460 0.449 289 2HD2 LEU 41 2HD2 LEU 41 -8.064 9.816 1.084 290 3HD2 LEU 41 3HD2 LEU 41 -8.687 10.125 -0.537 291 H CYS 42 H CYS 42 -5.370 5.743 1.584 292 HA CYS 42 HA CYS 42 -4.760 4.052 -0.521 293 1HB CYS 42 2HB CYS 42 -3.970 3.634 1.751 294 2HB CYS 42 1HB CYS 42 -5.616 3.314 2.289 295 HG CYS 42 HG CYS 42 -5.170 0.786 2.106 296 H ALA 43 H ALA 43 -7.703 4.256 1.390 297 HA ALA 43 HA ALA 43 -9.479 3.688 -0.692 298 1HB ALA 43 1HB ALA 43 -8.840 1.272 0.999 299 2HB ALA 43 2HB ALA 43 -10.166 1.390 -0.156 300 3HB ALA 43 3HB ALA 43 -8.496 1.462 -0.718 301 H PHE 44 H PHE 44 -9.059 5.206 1.860 302 HA PHE 44 HA PHE 44 -10.347 6.139 3.477 303 1HB PHE 44 2HB PHE 44 -12.160 5.975 1.704 304 2HB PHE 44 1HB PHE 44 -12.631 4.444 2.432 305 HD1 PHE 44 HD1 PHE 44 -14.233 4.433 4.090 306 HD2 PHE 44 HD2 PHE 44 -12.079 8.021 3.317 307 HE1 PHE 44 HE1 PHE 44 -15.672 5.635 5.683 308 HE2 PHE 44 HE2 PHE 44 -13.513 9.229 4.909 309 HZ PHE 44 HZ PHE 44 -15.312 8.035 6.095 310 H GLU 45 H GLU 45 -9.149 3.303 3.326 311 HA GLU 45 HA GLU 45 -10.542 1.957 5.454 312 1HB GLU 45 2HB GLU 45 -8.052 1.223 3.914 313 2HB GLU 45 1HB GLU 45 -8.779 0.211 5.153 314 1HG GLU 45 2HG GLU 45 -10.102 1.072 2.592 315 2HG GLU 45 1HG GLU 45 -9.392 -0.511 2.906 316 H ASP 46 H ASP 46 -7.340 3.407 4.942 317 HA ASP 46 HA ASP 46 -6.972 3.398 7.867 318 1HB ASP 46 2HB ASP 46 -4.868 3.467 5.695 319 2HB ASP 46 1HB ASP 46 -4.550 3.497 7.428 320 H ALA 47 H ALA 47 -8.381 5.380 6.146 321 HA ALA 47 HA ALA 47 -6.793 7.707 5.890 322 1HB ALA 47 1HB ALA 47 -8.886 7.384 4.661 323 2HB ALA 47 2HB ALA 47 -9.788 7.486 6.174 324 3HB ALA 47 3HB ALA 47 -8.900 8.889 5.580 325 H ASP 48 H ASP 48 -7.772 6.123 8.636 326 HA ASP 48 HA ASP 48 -7.873 8.592 10.232 327 1HB ASP 48 2HB ASP 48 -8.767 5.793 10.957 328 2HB ASP 48 1HB ASP 48 -8.874 7.201 12.010 329 H HIS 49 H HIS 49 -5.840 6.109 9.323 330 HA HIS 49 HA HIS 49 -3.778 5.428 9.983 331 1HB HIS 49 2HB HIS 49 -3.876 7.833 11.812 332 2HB HIS 49 1HB HIS 49 -2.434 6.928 11.367 333 HD1 HIS 49 HD1 HIS 49 -1.259 7.620 9.265 334 HD2 HIS 49 HD2 HIS 49 -5.041 9.308 9.607 335 HE1 HIS 49 HE1 HIS 49 -1.422 9.292 7.392 336 HE2 HIS 49 HE2 HIS 49 -3.685 10.361 7.673 337 H ARG 50 H ARG 50 -3.773 3.555 11.027 338 HA ARG 50 HA ARG 50 -4.908 3.387 13.716 339 1HB ARG 50 2HB ARG 50 -3.967 1.208 11.842 340 2HB ARG 50 1HB ARG 50 -4.735 0.946 13.403 341 1HG ARG 50 2HG ARG 50 -6.767 2.025 12.593 342 2HG ARG 50 1HG ARG 50 -5.998 2.301 11.028 343 1HD ARG 50 2HD ARG 50 -5.753 -0.115 10.727 344 2HD ARG 50 1HD ARG 50 -6.521 -0.390 12.290 345 HE ARG 50 HE ARG 50 -8.256 1.147 10.738 346 1HH1 ARG 50 1HH1 ARG 50 -6.878 -2.054 10.756 347 2HH1 ARG 50 2HH1 ARG 50 -8.226 -2.778 9.943 348 1HH2 ARG 50 1HH2 ARG 50 -10.034 0.203 9.668 349 2HH2 ARG 50 2HH2 ARG 50 -10.019 -1.496 9.323 350 H THR 51 H THR 51 -2.084 1.848 12.171 351 HA THR 51 HA THR 51 -0.353 2.800 14.307 352 HB THR 51 HB THR 51 -0.576 -0.165 13.776 353 HG1 THR 51 HG1 THR 51 -1.539 -0.140 15.944 354 1HG2 THR 51 1HG2 THR 51 1.603 0.469 14.572 355 2HG2 THR 51 2HG2 THR 51 0.727 -0.307 15.891 356 3HG2 THR 51 3HG2 THR 51 0.895 1.448 15.857 357 H TYR 52 H TYR 52 1.914 2.505 13.830 358 HA TYR 52 HA TYR 52 2.539 2.903 11.132 359 1HB TYR 52 2HB TYR 52 4.841 2.971 11.778 360 2HB TYR 52 1HB TYR 52 3.895 3.749 13.036 361 HD1 TYR 52 HD1 TYR 52 3.036 1.631 14.784 362 HD2 TYR 52 HD2 TYR 52 6.706 1.998 12.667 363 HE1 TYR 52 HE1 TYR 52 4.141 0.238 16.475 364 HE2 TYR 52 HE2 TYR 52 7.821 0.597 14.350 365 HH TYR 52 HH TYR 52 6.119 -1.210 16.661 366 H VAL 53 H VAL 53 2.988 -0.006 13.153 367 HA VAL 53 HA VAL 53 4.091 -1.502 10.968 368 HB VAL 53 HB VAL 53 3.069 -2.398 13.666 369 1HG1 VAL 53 1HG1 VAL 53 4.124 -4.572 13.152 370 2HG1 VAL 53 2HG1 VAL 53 2.759 -4.221 12.093 371 3HG1 VAL 53 3HG1 VAL 53 4.409 -4.022 11.501 372 1HG2 VAL 53 1HG2 VAL 53 5.374 -2.645 14.240 373 2HG2 VAL 53 2HG2 VAL 53 5.879 -2.324 12.579 374 3HG2 VAL 53 3HG2 VAL 53 5.165 -1.036 13.549 375 H ASP 54 H ASP 54 0.910 -1.293 12.526 376 HA ASP 54 HA ASP 54 -0.370 -3.352 11.150 377 1HB ASP 54 2HB ASP 54 -1.417 -0.737 12.233 378 2HB ASP 54 1HB ASP 54 -2.471 -1.942 11.501 379 H LEU 55 H LEU 55 -0.034 0.071 10.291 380 HA LEU 55 HA LEU 55 -1.386 -0.060 7.830 381 1HB LEU 55 2HB LEU 55 -1.019 2.093 8.705 382 2HB LEU 55 1HB LEU 55 0.689 1.794 8.962 383 HG LEU 55 HG LEU 55 1.031 1.812 6.505 384 1HD1 LEU 55 1HD1 LEU 55 -1.167 1.143 5.770 385 2HD1 LEU 55 2HD1 LEU 55 -0.768 2.718 5.084 386 3HD1 LEU 55 3HD1 LEU 55 -1.874 2.608 6.451 387 1HD2 LEU 55 1HD2 LEU 55 1.409 3.825 7.827 388 2HD2 LEU 55 2HD2 LEU 55 -0.284 4.278 7.636 389 3HD2 LEU 55 3HD2 LEU 55 0.779 4.226 6.230 390 H LYS 56 H LYS 56 1.928 -0.675 8.788 391 HA LYS 56 HA LYS 56 2.985 -0.959 6.169 392 1HB LYS 56 2HB LYS 56 4.367 -0.525 8.191 393 2HB LYS 56 1HB LYS 56 4.001 -2.148 8.758 394 1HG LYS 56 2HG LYS 56 6.199 -2.075 7.750 395 2HG LYS 56 1HG LYS 56 5.115 -3.085 6.792 396 1HD LYS 56 2HD LYS 56 6.453 -1.684 5.333 397 2HD LYS 56 1HD LYS 56 4.758 -1.202 5.245 398 1HE LYS 56 2HE LYS 56 5.204 0.651 6.772 399 2HE LYS 56 1HE LYS 56 6.892 0.155 6.893 400 1HZ LYS 56 1HZ LYS 56 6.587 1.982 5.330 401 2HZ LYS 56 2HZ LYS 56 5.539 1.036 4.400 402 3HZ LYS 56 3HZ LYS 56 7.167 0.601 4.545 403 H ASP 57 H ASP 57 1.177 -3.006 8.280 404 HA ASP 57 HA ASP 57 1.883 -5.483 7.077 405 1HB ASP 57 2HB ASP 57 -0.428 -4.668 8.840 406 2HB ASP 57 1HB ASP 57 -0.204 -6.313 8.256 407 H LYS 58 H LYS 58 -0.805 -3.208 6.689 408 HA LYS 58 HA LYS 58 -2.177 -4.760 4.741 409 1HB LYS 58 2HB LYS 58 -2.309 -1.787 5.293 410 2HB LYS 58 1HB LYS 58 -3.451 -2.691 4.312 411 1HG LYS 58 2HG LYS 58 -4.070 -4.021 6.284 412 2HG LYS 58 1HG LYS 58 -2.959 -3.057 7.260 413 1HD LYS 58 2HD LYS 58 -5.167 -2.187 7.571 414 2HD LYS 58 1HD LYS 58 -4.258 -1.029 6.599 415 1HE LYS 58 2HE LYS 58 -6.514 -1.332 5.722 416 2HE LYS 58 1HE LYS 58 -5.305 -1.900 4.572 417 1HZ LYS 58 1HZ LYS 58 -5.728 -4.165 5.300 418 2HZ LYS 58 2HZ LYS 58 -7.154 -3.442 4.745 419 3HZ LYS 58 3HZ LYS 58 -6.888 -3.618 6.405 420 H TRP 59 H TRP 59 0.422 -2.473 4.663 421 HA TRP 59 HA TRP 59 0.341 -1.905 1.870 422 1HB TRP 59 2HB TRP 59 1.458 -0.255 3.029 423 2HB TRP 59 1HB TRP 59 2.185 -1.388 4.156 424 HD1 TRP 59 HD1 TRP 59 4.426 -2.689 3.277 425 HE1 TRP 59 HE1 TRP 59 6.243 -1.910 1.624 426 HE3 TRP 59 HE3 TRP 59 1.863 1.082 0.968 427 HZ2 TRP 59 HZ2 TRP 59 6.544 0.037 -0.392 428 HZ3 TRP 59 HZ3 TRP 59 2.990 2.358 -0.809 429 HH2 TRP 59 HH2 TRP 59 5.283 1.845 -1.473 430 H LYS 60 H LYS 60 2.333 -4.011 3.905 431 HA LYS 60 HA LYS 60 3.811 -5.152 1.774 432 1HB LYS 60 2HB LYS 60 4.613 -6.741 3.411 433 2HB LYS 60 1HB LYS 60 4.574 -5.135 4.125 434 1HG LYS 60 2HG LYS 60 2.473 -5.689 5.249 435 2HG LYS 60 1HG LYS 60 2.533 -7.306 4.544 436 1HD LYS 60 2HD LYS 60 4.737 -6.197 6.267 437 2HD LYS 60 1HD LYS 60 3.364 -7.086 6.929 438 1HE LYS 60 2HE LYS 60 3.936 -9.014 5.554 439 2HE LYS 60 1HE LYS 60 5.287 -8.127 4.847 440 1HZ LYS 60 1HZ LYS 60 4.988 -8.922 7.694 441 2HZ LYS 60 2HZ LYS 60 6.245 -7.965 7.092 442 3HZ LYS 60 3HZ LYS 60 6.082 -9.567 6.575 443 H THR 61 H THR 61 0.773 -5.956 3.312 444 HA THR 61 HA THR 61 0.568 -8.572 2.142 445 HB THR 61 HB THR 61 -1.551 -6.819 3.413 446 HG1 THR 61 HG1 THR 61 -0.087 -9.054 4.416 447 1HG2 THR 61 1HG2 THR 61 -2.581 -8.430 1.907 448 2HG2 THR 61 2HG2 THR 61 -2.874 -8.894 3.582 449 3HG2 THR 61 3HG2 THR 61 -1.649 -9.738 2.635 450 H LEU 62 H LEU 62 -0.156 -5.338 1.243 451 HA LEU 62 HA LEU 62 -2.026 -5.926 -0.829 452 1HB LEU 62 2HB LEU 62 -2.315 -3.763 -0.295 453 2HB LEU 62 1HB LEU 62 -0.681 -3.595 0.310 454 HG LEU 62 HG LEU 62 0.008 -3.479 -2.176 455 1HD1 LEU 62 1HD1 LEU 62 -2.924 -2.810 -2.396 456 2HD1 LEU 62 2HD1 LEU 62 -2.127 -4.219 -3.099 457 3HD1 LEU 62 3HD1 LEU 62 -1.713 -2.601 -3.661 458 1HD2 LEU 62 1HD2 LEU 62 -1.581 -1.256 -0.908 459 2HD2 LEU 62 2HD2 LEU 62 -0.374 -1.080 -2.180 460 3HD2 LEU 62 3HD2 LEU 62 0.109 -1.634 -0.575 461 H VAL 63 H VAL 63 1.458 -5.516 -0.620 462 HA VAL 63 HA VAL 63 1.778 -5.791 -3.501 463 HB VAL 63 HB VAL 63 4.190 -5.542 -3.060 464 1HG1 VAL 63 1HG1 VAL 63 2.466 -3.466 -1.711 465 2HG1 VAL 63 2HG1 VAL 63 4.120 -3.219 -2.274 466 3HG1 VAL 63 3HG1 VAL 63 2.835 -3.557 -3.433 467 1HG2 VAL 63 1HG2 VAL 63 4.300 -6.629 -0.886 468 2HG2 VAL 63 2HG2 VAL 63 4.969 -5.000 -0.797 469 3HG2 VAL 63 3HG2 VAL 63 3.354 -5.325 -0.169 470 H HIS 64 H HIS 64 1.924 -7.732 -0.644 471 HA HIS 64 HA HIS 64 3.514 -9.840 -1.756 472 1HB HIS 64 2HB HIS 64 3.478 -9.528 0.641 473 2HB HIS 64 1HB HIS 64 1.730 -9.721 0.682 474 HD1 HIS 64 HD1 HIS 64 4.907 -11.675 0.374 475 HD2 HIS 64 HD2 HIS 64 0.817 -12.348 0.638 476 HE1 HIS 64 HE1 HIS 64 4.659 -14.139 0.812 477 HE2 HIS 64 HE2 HIS 64 2.179 -14.507 1.061 478 H THR 65 H THR 65 0.071 -9.273 -1.245 479 HA THR 65 HA THR 65 -0.761 -11.801 -2.286 480 HB THR 65 HB THR 65 -2.381 -9.269 -1.924 481 HG1 THR 65 HG1 THR 65 -2.279 -11.487 -0.155 482 1HG2 THR 65 1HG2 THR 65 -4.302 -10.813 -1.809 483 2HG2 THR 65 2HG2 THR 65 -3.228 -12.158 -2.191 484 3HG2 THR 65 3HG2 THR 65 -3.494 -10.879 -3.376 485 H ALA 66 H ALA 66 0.244 -8.861 -3.679 486 HA ALA 66 HA ALA 66 -1.246 -8.596 -5.978 487 1HB ALA 66 1HB ALA 66 0.485 -7.011 -5.280 488 2HB ALA 66 2HB ALA 66 1.730 -8.183 -5.715 489 3HB ALA 66 3HB ALA 66 0.690 -7.496 -6.962 490 H LYS 67 H LYS 67 1.977 -10.122 -6.044 491 HA LYS 67 HA LYS 67 1.024 -12.459 -7.383 492 1HB LYS 67 2HB LYS 67 2.184 -12.068 -9.528 493 2HB LYS 67 1HB LYS 67 0.864 -10.937 -9.264 494 1HG LYS 67 2HG LYS 67 2.461 -9.222 -8.583 495 2HG LYS 67 1HG LYS 67 3.788 -10.358 -8.837 496 1HD LYS 67 2HD LYS 67 3.188 -10.523 -11.207 497 2HD LYS 67 1HD LYS 67 1.862 -9.386 -10.948 498 1HE LYS 67 2HE LYS 67 3.802 -8.265 -11.907 499 2HE LYS 67 1HE LYS 67 3.460 -7.663 -10.287 500 1HZ LYS 67 1HZ LYS 67 5.547 -9.658 -10.984 501 2HZ LYS 67 2HZ LYS 67 5.219 -9.081 -9.429 502 3HZ LYS 67 3HZ LYS 67 5.822 -8.031 -10.609 503 H ILE 68 H ILE 68 2.721 -11.698 -5.118 504 HA ILE 68 HA ILE 68 5.441 -12.211 -5.761 505 HB ILE 68 HB ILE 68 3.959 -12.394 -3.134 506 1HG1 ILE 68 2HG1 ILE 68 4.069 -10.144 -4.097 507 2HG1 ILE 68 1HG1 ILE 68 5.068 -10.258 -2.652 508 1HG2 ILE 68 1HG2 ILE 68 5.898 -13.833 -3.015 509 2HG2 ILE 68 2HG2 ILE 68 6.187 -12.371 -2.070 510 3HG2 ILE 68 3HG2 ILE 68 6.925 -12.553 -3.662 511 1HD1 ILE 68 1HD1 ILE 68 6.055 -10.342 -5.493 512 2HD1 ILE 68 2HD1 ILE 68 7.060 -10.462 -4.049 513 3HD1 ILE 68 3HD1 ILE 68 6.172 -8.975 -4.387 514 H SER 69 H SER 69 2.688 -14.219 -5.172 515 HA SER 69 HA SER 69 2.381 -16.474 -5.041 516 1HB SER 69 2HB SER 69 4.827 -16.447 -6.825 517 2HB SER 69 1HB SER 69 3.731 -17.813 -6.619 518 HG SER 69 HG SER 69 2.186 -16.764 -7.709 519 HA PRO 70 HA PRO 70 5.667 -17.116 -1.828 520 1HB PRO 70 2HB PRO 70 4.052 -17.297 0.311 521 2HB PRO 70 1HB PRO 70 4.565 -15.736 -0.339 522 1HG PRO 70 2HG PRO 70 1.973 -17.180 -0.705 523 2HG PRO 70 1HG PRO 70 2.266 -15.454 -0.428 524 1HD PRO 70 2HD PRO 70 1.758 -16.549 -2.893 525 2HD PRO 70 1HD PRO 70 2.661 -15.042 -2.641 526 H GLN 71 H GLN 71 3.019 -18.817 -3.069 527 HA GLN 71 HA GLN 71 3.156 -21.137 -1.409 528 1HB GLN 71 2HB GLN 71 2.001 -20.789 -4.182 529 2HB GLN 71 1HB GLN 71 1.743 -22.183 -3.141 530 1HG GLN 71 2HG GLN 71 0.888 -19.359 -2.540 531 2HG GLN 71 1HG GLN 71 -0.158 -20.657 -3.116 532 1HE2 GLN 71 1HE2 GLN 71 1.194 -22.673 -1.489 533 2HE2 GLN 71 2HE2 GLN 71 0.661 -22.413 0.134 534 H GLN 72 H GLN 72 4.380 -20.338 -4.645 535 HA GLN 72 HA GLN 72 5.970 -21.292 -5.961 536 1HB GLN 72 2HB GLN 72 7.093 -22.116 -3.277 537 2HB GLN 72 1HB GLN 72 7.970 -22.175 -4.800 538 1HG GLN 72 2HG GLN 72 7.664 -19.723 -5.010 539 2HG GLN 72 1HG GLN 72 6.932 -19.720 -3.406 540 1HE2 GLN 72 1HE2 GLN 72 9.341 -18.386 -4.359 541 2HE2 GLN 72 2HE2 GLN 72 10.629 -18.946 -3.354 542 H ARG 73 H ARG 73 3.614 -22.828 -5.434 543 HA ARG 73 HA ARG 73 2.752 -24.887 -5.865 544 1HB ARG 73 2HB ARG 73 5.561 -25.513 -6.798 545 2HB ARG 73 1HB ARG 73 4.134 -26.489 -7.124 546 1HG ARG 73 2HG ARG 73 3.163 -24.692 -8.424 547 2HG ARG 73 1HG ARG 73 4.534 -23.648 -8.040 548 1HD ARG 73 2HD ARG 73 4.655 -26.237 -9.585 549 2HD ARG 73 1HD ARG 73 4.742 -24.617 -10.275 550 HE ARG 73 HE ARG 73 6.744 -25.135 -8.278 551 1HH1 ARG 73 1HH1 ARG 73 5.930 -25.409 -11.655 552 2HH1 ARG 73 2HH1 ARG 73 7.579 -25.463 -12.180 553 1HH2 ARG 73 1HH2 ARG 73 8.918 -25.205 -8.961 554 2HH2 ARG 73 2HH2 ARG 73 9.277 -25.348 -10.649 555 H ARG 74 H ARG 74 3.744 -24.302 -3.253 556 HA ARG 74 HA ARG 74 4.052 -25.313 -1.245 557 1HB ARG 74 2HB ARG 74 3.457 -27.844 -2.787 558 2HB ARG 74 1HB ARG 74 3.488 -27.703 -1.035 559 1HG ARG 74 2HG ARG 74 1.624 -26.127 -1.125 560 2HG ARG 74 1HG ARG 74 1.595 -26.265 -2.884 561 1HD ARG 74 2HD ARG 74 -0.118 -27.670 -1.871 562 2HD ARG 74 1HD ARG 74 1.096 -28.649 -2.694 563 HE ARG 74 HE ARG 74 1.817 -28.394 0.004 564 1HH1 ARG 74 1HH1 ARG 74 -0.623 -29.901 -1.976 565 2HH1 ARG 74 2HH1 ARG 74 -0.899 -31.205 -0.871 566 1HH2 ARG 74 1HH2 ARG 74 1.462 -30.107 1.465 567 2HH2 ARG 74 2HH2 ARG 74 0.286 -31.322 1.086 568 H GLY 75 H GLY 75 6.053 -25.185 -0.493 569 1HA GLY 75 1HA GLY 75 7.904 -26.978 -0.089 570 2HA GLY 75 2HA GLY 75 8.183 -26.721 -1.806 571 H GLU 76 H GLU 76 7.679 -24.701 1.094 572 HA GLU 76 HA GLU 76 10.228 -23.398 0.628 573 1HB GLU 76 2HB GLU 76 9.122 -21.117 0.771 574 2HB GLU 76 1HB GLU 76 8.922 -21.985 -0.743 575 1HG GLU 76 2HG GLU 76 6.832 -21.036 -0.246 576 2HG GLU 76 1HG GLU 76 6.687 -22.753 0.120 577 HA PRO 77 HA PRO 77 10.221 -23.171 5.034 578 1HB PRO 77 2HB PRO 77 11.782 -21.002 5.497 579 2HB PRO 77 1HB PRO 77 12.426 -22.537 4.913 580 1HG PRO 77 2HG PRO 77 11.787 -20.049 3.386 581 2HG PRO 77 1HG PRO 77 13.180 -21.134 3.227 582 1HD PRO 77 2HD PRO 77 11.048 -21.198 1.540 583 2HD PRO 77 1HD PRO 77 12.022 -22.630 1.923 584 H VAL 78 H VAL 78 10.580 -19.725 4.614 585 HA VAL 78 HA VAL 78 7.814 -19.276 5.486 586 HB VAL 78 HB VAL 78 8.589 -17.555 7.096 587 1HG1 VAL 78 1HG1 VAL 78 9.320 -19.121 8.837 588 2HG1 VAL 78 2HG1 VAL 78 7.988 -19.777 7.884 589 3HG1 VAL 78 3HG1 VAL 78 9.636 -20.339 7.600 590 1HG2 VAL 78 1HG2 VAL 78 10.773 -17.092 6.122 591 2HG2 VAL 78 2HG2 VAL 78 10.933 -17.557 7.816 592 3HG2 VAL 78 3HG2 VAL 78 11.319 -18.714 6.541 593 HA PRO 79 HA PRO 79 7.882 -16.016 2.498 594 1HB PRO 79 2HB PRO 79 6.066 -14.289 3.519 595 2HB PRO 79 1HB PRO 79 5.609 -15.846 2.819 596 1HG PRO 79 2HG PRO 79 5.948 -15.088 5.695 597 2HG PRO 79 1HG PRO 79 4.671 -16.058 4.937 598 1HD PRO 79 2HD PRO 79 6.759 -17.162 6.272 599 2HD PRO 79 1HD PRO 79 5.965 -17.961 4.900 600 H GLN 80 H GLN 80 10.041 -15.311 2.867 601 HA GLN 80 HA GLN 80 10.397 -13.067 4.714 602 1HB GLN 80 2HB GLN 80 12.347 -14.759 3.152 603 2HB GLN 80 1HB GLN 80 12.829 -13.320 4.038 604 1HG GLN 80 2HG GLN 80 12.019 -14.327 6.112 605 2HG GLN 80 1HG GLN 80 11.545 -15.772 5.220 606 1HE2 GLN 80 1HE2 GLN 80 13.132 -17.158 4.437 607 2HE2 GLN 80 2HE2 GLN 80 14.762 -17.106 5.011 608 H GLU 81 H GLU 81 10.130 -13.827 1.373 609 HA GLU 81 HA GLU 81 11.438 -11.825 0.057 610 1HB GLU 81 2HB GLU 81 8.768 -13.084 -0.542 611 2HB GLU 81 1HB GLU 81 9.566 -11.976 -1.648 612 1HG GLU 81 2HG GLU 81 10.024 -14.213 -2.338 613 2HG GLU 81 1HG GLU 81 11.510 -13.503 -1.708 614 H LEU 82 H LEU 82 8.020 -11.594 1.108 615 HA LEU 82 HA LEU 82 7.667 -8.934 0.353 616 1HB LEU 82 2HB LEU 82 5.710 -8.886 1.728 617 2HB LEU 82 1HB LEU 82 5.818 -10.449 0.953 618 HG LEU 82 HG LEU 82 6.564 -9.894 3.826 619 1HD1 LEU 82 1HD1 LEU 82 4.515 -11.054 4.396 620 2HD1 LEU 82 2HD1 LEU 82 4.130 -11.260 2.688 621 3HD1 LEU 82 3HD1 LEU 82 4.159 -9.646 3.397 622 1HD2 LEU 82 1HD2 LEU 82 7.819 -11.754 3.004 623 2HD2 LEU 82 2HD2 LEU 82 6.394 -12.438 2.223 624 3HD2 LEU 82 3HD2 LEU 82 6.494 -12.384 3.982 625 H LEU 83 H LEU 83 8.634 -10.212 3.535 626 HA LEU 83 HA LEU 83 8.763 -7.768 4.876 627 1HB LEU 83 2HB LEU 83 9.976 -10.450 5.263 628 2HB LEU 83 1HB LEU 83 10.688 -9.116 6.150 629 HG LEU 83 HG LEU 83 7.752 -9.799 6.269 630 1HD1 LEU 83 1HD1 LEU 83 9.055 -11.679 7.108 631 2HD1 LEU 83 2HD1 LEU 83 8.237 -10.840 8.426 632 3HD1 LEU 83 3HD1 LEU 83 9.962 -10.593 8.160 633 1HD2 LEU 83 1HD2 LEU 83 9.516 -8.081 8.014 634 2HD2 LEU 83 2HD2 LEU 83 7.806 -8.415 8.287 635 3HD2 LEU 83 3HD2 LEU 83 8.309 -7.500 6.866 636 H ASN 84 H ASN 84 11.042 -9.294 2.706 637 HA ASN 84 HA ASN 84 13.222 -7.555 3.352 638 1HB ASN 84 2HB ASN 84 13.624 -9.800 2.469 639 2HB ASN 84 1HB ASN 84 12.799 -9.373 0.972 640 1HD2 ASN 84 1HD2 ASN 84 14.913 -7.201 2.711 641 2HD2 ASN 84 2HD2 ASN 84 16.178 -7.181 1.535 642 H ARG 85 H ARG 85 11.058 -7.811 0.525 643 HA ARG 85 HA ARG 85 12.122 -5.516 -0.762 644 1HB ARG 85 2HB ARG 85 10.218 -5.717 -2.281 645 2HB ARG 85 1HB ARG 85 10.982 -7.276 -2.009 646 1HG ARG 85 2HG ARG 85 9.218 -7.883 -0.445 647 2HG ARG 85 1HG ARG 85 8.460 -6.306 -0.679 648 1HD ARG 85 2HD ARG 85 8.894 -8.389 -2.816 649 2HD ARG 85 1HD ARG 85 7.365 -8.046 -2.011 650 HE ARG 85 HE ARG 85 7.773 -5.690 -2.994 651 1HH1 ARG 85 1HH1 ARG 85 8.607 -8.712 -4.517 652 2HH1 ARG 85 2HH1 ARG 85 8.434 -8.095 -6.127 653 1HH2 ARG 85 1HH2 ARG 85 7.543 -4.870 -5.109 654 2HH2 ARG 85 2HH2 ARG 85 7.830 -5.913 -6.463 655 H VAL 86 H VAL 86 9.810 -5.903 1.756 656 HA VAL 86 HA VAL 86 8.538 -3.345 1.285 657 HB VAL 86 HB VAL 86 8.225 -5.398 3.469 658 1HG1 VAL 86 1HG1 VAL 86 6.855 -2.723 3.203 659 2HG1 VAL 86 2HG1 VAL 86 6.340 -4.014 4.289 660 3HG1 VAL 86 3HG1 VAL 86 7.911 -3.247 4.515 661 1HG2 VAL 86 1HG2 VAL 86 6.124 -5.843 2.483 662 2HG2 VAL 86 2HG2 VAL 86 6.206 -4.399 1.475 663 3HG2 VAL 86 3HG2 VAL 86 7.274 -5.764 1.152 664 H LEU 87 H LEU 87 10.373 -4.708 4.047 665 HA LEU 87 HA LEU 87 10.721 -2.285 5.383 666 1HB LEU 87 2HB LEU 87 11.785 -4.976 5.570 667 2HB LEU 87 1HB LEU 87 13.002 -3.776 5.962 668 HG LEU 87 HG LEU 87 11.516 -2.824 7.676 669 1HD1 LEU 87 1HD1 LEU 87 9.678 -5.103 6.953 670 2HD1 LEU 87 2HD1 LEU 87 9.369 -3.388 6.683 671 3HD1 LEU 87 3HD1 LEU 87 9.480 -4.016 8.327 672 1HD2 LEU 87 1HD2 LEU 87 11.949 -5.797 7.934 673 2HD2 LEU 87 2HD2 LEU 87 11.657 -4.678 9.265 674 3HD2 LEU 87 3HD2 LEU 87 13.128 -4.537 8.302 675 H ASN 88 H ASN 88 12.367 -3.599 2.633 676 HA ASN 88 HA ASN 88 14.680 -1.931 2.783 677 1HB ASN 88 2HB ASN 88 14.528 -4.084 1.486 678 2HB ASN 88 1HB ASN 88 13.516 -3.242 0.320 679 1HD2 ASN 88 1HD2 ASN 88 16.713 -3.577 1.628 680 2HD2 ASN 88 2HD2 ASN 88 17.533 -2.700 0.387 681 H ALA 89 H ALA 89 11.702 -1.846 0.860 682 HA ALA 89 HA ALA 89 12.192 0.508 -0.547 683 1HB ALA 89 1HB ALA 89 9.526 -0.561 0.373 684 2HB ALA 89 2HB ALA 89 9.788 0.607 -0.922 685 3HB ALA 89 3HB ALA 89 10.380 -1.046 -1.091 686 H HIS 90 H HIS 90 10.540 0.051 2.575 687 HA HIS 90 HA HIS 90 9.868 2.736 3.005 688 1HB HIS 90 2HB HIS 90 8.915 0.902 4.326 689 2HB HIS 90 1HB HIS 90 10.491 0.588 5.045 690 HD1 HIS 90 HD1 HIS 90 7.646 3.028 5.125 691 HD2 HIS 90 HD2 HIS 90 11.224 2.305 7.112 692 HE1 HIS 90 HE1 HIS 90 7.603 4.518 7.151 693 HE2 HIS 90 HE2 HIS 90 9.815 4.126 8.291 694 H GLY 91 H GLY 91 12.612 0.867 4.304 695 1HA GLY 91 1HA GLY 91 13.935 3.019 5.519 696 2HA GLY 91 2HA GLY 91 14.698 1.521 5.004 697 H TYR 92 H TYR 92 13.751 2.039 2.206 698 HA TYR 92 HA TYR 92 16.089 3.334 1.257 699 1HB TYR 92 2HB TYR 92 15.170 1.695 -0.166 700 2HB TYR 92 1HB TYR 92 13.552 2.374 -0.050 701 HD1 TYR 92 HD1 TYR 92 12.805 3.986 -1.574 702 HD2 TYR 92 HD2 TYR 92 16.922 2.935 -1.495 703 HE1 TYR 92 HE1 TYR 92 13.149 5.229 -3.660 704 HE2 TYR 92 HE2 TYR 92 17.285 4.179 -3.587 705 HH TYR 92 HH TYR 92 15.981 4.955 -5.518 706 H TRP 93 H TRP 93 12.660 4.369 1.274 707 HA TRP 93 HA TRP 93 13.092 6.904 0.169 708 1HB TRP 93 2HB TRP 93 11.035 6.353 2.306 709 2HB TRP 93 1HB TRP 93 10.958 7.542 1.015 710 HD1 TRP 93 HD1 TRP 93 11.590 5.642 -1.458 711 HE1 TRP 93 HE1 TRP 93 9.824 3.920 -2.194 712 HE3 TRP 93 HE3 TRP 93 8.921 5.329 2.883 713 HZ2 TRP 93 HZ2 TRP 93 7.580 2.609 -1.071 714 HZ3 TRP 93 HZ3 TRP 93 6.978 3.825 2.974 715 HH2 TRP 93 HH2 TRP 93 6.324 2.494 1.037 716 H THR 94 H THR 94 12.820 5.970 3.589 717 HA THR 94 HA THR 94 13.387 8.435 4.731 718 HB THR 94 HB THR 94 14.117 7.203 6.740 719 HG1 THR 94 HG1 THR 94 13.805 4.854 5.157 720 1HG2 THR 94 1HG2 THR 94 11.715 5.970 5.382 721 2HG2 THR 94 2HG2 THR 94 11.722 7.467 6.315 722 3HG2 THR 94 3HG2 THR 94 12.055 5.930 7.113 723 H GLN 95 H GLN 95 15.577 5.933 3.564 724 HA GLN 95 HA GLN 95 17.920 7.454 4.353 725 1HB GLN 95 2HB GLN 95 17.554 4.808 2.954 726 2HB GLN 95 1HB GLN 95 19.132 5.551 3.178 727 1HG GLN 95 2HG GLN 95 17.234 4.754 5.375 728 2HG GLN 95 1HG GLN 95 18.673 3.866 4.877 729 1HE2 GLN 95 1HE2 GLN 95 20.209 6.312 4.426 730 2HE2 GLN 95 2HE2 GLN 95 20.624 6.910 5.992 731 H GLN 96 H GLN 96 15.766 7.482 1.838 732 HA GLN 96 HA GLN 96 17.585 7.998 -0.306 733 1HB GLN 96 2HB GLN 96 15.342 7.083 -0.739 734 2HB GLN 96 1HB GLN 96 14.615 8.548 -0.096 735 1HG GLN 96 2HG GLN 96 15.758 9.819 -1.915 736 2HG GLN 96 1HG GLN 96 16.258 8.272 -2.598 737 1HE2 GLN 96 1HE2 GLN 96 13.742 6.986 -1.758 738 2HE2 GLN 96 2HE2 GLN 96 12.547 7.530 -2.881 739 H GLN 97 H GLN 97 15.856 9.839 2.083 740 HA GLN 97 HA GLN 97 15.974 12.005 2.759 741 1HB GLN 97 2HB GLN 97 18.458 11.528 2.494 742 2HB GLN 97 1HB GLN 97 18.353 12.323 0.930 743 1HG GLN 97 2HG GLN 97 19.181 13.848 2.613 744 2HG GLN 97 1HG GLN 97 17.606 14.376 2.022 745 1HE2 GLN 97 1HE2 GLN 97 17.195 15.587 3.859 746 2HE2 GLN 97 2HE2 GLN 97 16.815 14.862 5.380 747 H MET 98 H MET 98 14.190 11.439 0.772 748 HA MET 98 HA MET 98 12.874 12.369 -0.828 749 1HB MET 98 2HB MET 98 14.173 14.888 0.220 750 2HB MET 98 1HB MET 98 12.803 14.870 -0.882 751 1HG MET 98 2HG MET 98 11.948 15.231 1.290 752 2HG MET 98 1HG MET 98 11.542 13.577 0.844 753 1HE MET 98 1HE MET 98 11.447 14.748 3.845 754 2HE MET 98 2HE MET 98 12.123 13.379 4.728 755 3HE MET 98 3HE MET 98 10.982 13.103 3.412 756 H GLN 99 H GLN 99 14.367 11.191 -2.300 757 HA GLN 99 HA GLN 99 15.315 11.074 -4.358 758 1HB GLN 99 2HB GLN 99 13.890 13.007 -4.957 759 2HB GLN 99 1HB GLN 99 15.155 14.093 -4.397 760 1HG GLN 99 2HG GLN 99 16.662 13.240 -6.107 761 2HG GLN 99 1HG GLN 99 15.411 12.128 -6.662 762 1HE2 GLN 99 1HE2 GLN 99 13.634 12.935 -7.777 763 2HE2 GLN 99 2HE2 GLN 99 13.626 14.516 -8.475 764 H GLN 100 H GLN 100 16.665 14.000 -2.823 765 HA GLN 100 HA GLN 100 18.791 14.632 -2.349 766 1HB GLN 100 2HB GLN 100 18.728 12.627 -0.920 767 2HB GLN 100 1HB GLN 100 19.311 11.655 -2.265 768 1HG GLN 100 2HG GLN 100 21.392 12.922 -2.289 769 2HG GLN 100 1HG GLN 100 20.806 13.920 -0.958 770 1HE2 GLN 100 1HE2 GLN 100 22.494 13.322 0.385 771 2HE2 GLN 100 2HE2 GLN 100 22.603 11.751 1.095 772 H LEU 101 H LEU 101 19.868 11.696 -3.982 773 HA LEU 101 HA LEU 101 20.645 13.252 -6.337 774 1HB LEU 101 2HB LEU 101 22.553 11.596 -4.681 775 2HB LEU 101 1HB LEU 101 22.922 12.249 -6.266 776 HG LEU 101 HG LEU 101 22.257 13.927 -3.846 777 1HD1 LEU 101 1HD1 LEU 101 24.927 13.308 -5.099 778 2HD1 LEU 101 2HD1 LEU 101 24.360 12.743 -3.527 779 3HD1 LEU 101 3HD1 LEU 101 24.640 14.463 -3.798 780 1HD2 LEU 101 1HD2 LEU 101 23.335 14.670 -6.565 781 2HD2 LEU 101 2HD2 LEU 101 23.102 15.773 -5.209 782 3HD2 LEU 101 3HD2 LEU 101 21.708 15.001 -5.966 783 H GLN 102 H GLN 102 18.773 10.987 -5.547 784 HA GLN 102 HA GLN 102 19.719 8.999 -7.503 785 1HB GLN 102 2HB GLN 102 19.469 8.101 -5.224 786 2HB GLN 102 1HB GLN 102 17.788 8.618 -5.206 787 1HG GLN 102 2HG GLN 102 17.922 6.255 -5.647 788 2HG GLN 102 1HG GLN 102 17.313 7.097 -7.069 789 1HE2 GLN 102 1HE2 GLN 102 18.606 7.246 -8.902 790 2HE2 GLN 102 2HE2 GLN 102 19.991 6.240 -9.135 791 H GLN 103 H GLN 103 18.674 9.009 -9.372 792 HA GLN 103 HA GLN 103 15.799 9.373 -9.451 793 1HB GLN 103 2HB GLN 103 16.085 11.082 -11.342 794 2HB GLN 103 1HB GLN 103 16.310 11.645 -9.692 795 1HG GLN 103 2HG GLN 103 18.011 12.602 -11.059 796 2HG GLN 103 1HG GLN 103 18.757 11.409 -9.998 797 1HE2 GLN 103 1HE2 GLN 103 19.586 9.521 -10.866 798 2HE2 GLN 103 2HE2 GLN 103 19.856 9.319 -12.561 799 H ASN 104 H ASN 104 18.298 7.600 -10.264 800 HA ASN 104 HA ASN 104 17.795 7.174 -13.071 801 1HB ASN 104 2HB ASN 104 20.055 6.882 -12.166 802 2HB ASN 104 1HB ASN 104 19.476 5.594 -11.113 803 1HD2 ASN 104 1HD2 ASN 104 20.863 4.083 -11.998 804 2HD2 ASN 104 2HD2 ASN 104 20.631 3.426 -13.580 805 H VAL 105 H VAL 105 15.517 6.705 -12.908 806 HA VAL 105 HA VAL 105 15.013 3.909 -12.127 807 HB VAL 105 HB VAL 105 13.025 6.176 -11.918 808 1HG1 VAL 105 1HG1 VAL 105 11.978 4.039 -12.410 809 2HG1 VAL 105 2HG1 VAL 105 12.846 3.287 -11.070 810 3HG1 VAL 105 3HG1 VAL 105 11.633 4.526 -10.750 811 1HG2 VAL 105 1HG2 VAL 105 13.242 5.898 -9.490 812 2HG2 VAL 105 2HG2 VAL 105 14.529 4.718 -9.745 813 3HG2 VAL 105 3HG2 VAL 105 14.764 6.397 -10.230 Start of MODEL 11 1 H GLN 9 H GLN 9 -26.636 13.055 -0.327 2 HA GLN 9 HA GLN 9 -24.019 11.744 -0.018 3 1HB GLN 9 2HB GLN 9 -24.744 10.903 2.182 4 2HB GLN 9 1HB GLN 9 -24.657 12.659 2.142 5 1HG GLN 9 2HG GLN 9 -27.076 12.780 1.874 6 2HG GLN 9 1HG GLN 9 -27.170 11.019 1.894 7 1HE2 GLN 9 1HE2 GLN 9 -28.391 12.984 3.676 8 2HE2 GLN 9 2HE2 GLN 9 -27.846 12.589 5.267 9 H ARG 10 H ARG 10 -26.808 11.580 -1.581 10 HA ARG 10 HA ARG 10 -27.776 8.973 -1.084 11 1HB ARG 10 2HB ARG 10 -27.958 10.630 -3.606 12 2HB ARG 10 1HB ARG 10 -28.922 9.204 -3.250 13 1HG ARG 10 2HG ARG 10 -29.930 10.355 -1.348 14 2HG ARG 10 1HG ARG 10 -28.958 11.785 -1.699 15 1HD ARG 10 2HD ARG 10 -30.033 11.969 -3.894 16 2HD ARG 10 1HD ARG 10 -31.007 10.544 -3.533 17 HE ARG 10 HE ARG 10 -31.388 12.453 -1.509 18 1HH1 ARG 10 1HH1 ARG 10 -32.112 11.938 -4.879 19 2HH1 ARG 10 2HH1 ARG 10 -33.554 12.899 -4.849 20 1HH2 ARG 10 1HH2 ARG 10 -33.284 13.718 -1.462 21 2HH2 ARG 10 2HH2 ARG 10 -34.219 13.911 -2.907 22 H ARG 11 H ARG 11 -25.182 10.218 -3.056 23 HA ARG 11 HA ARG 11 -24.808 7.800 -4.558 24 1HB ARG 11 2HB ARG 11 -24.160 9.988 -5.469 25 2HB ARG 11 1HB ARG 11 -22.976 10.176 -4.183 26 1HG ARG 11 2HG ARG 11 -21.864 9.507 -6.204 27 2HG ARG 11 1HG ARG 11 -21.783 8.190 -5.033 28 1HD ARG 11 2HD ARG 11 -23.658 7.083 -6.154 29 2HD ARG 11 1HD ARG 11 -23.734 8.399 -7.324 30 HE ARG 11 HE ARG 11 -21.148 7.405 -7.396 31 1HH1 ARG 11 1HH1 ARG 11 -24.374 6.260 -8.049 32 2HH1 ARG 11 2HH1 ARG 11 -23.865 5.127 -9.258 33 1HH2 ARG 11 1HH2 ARG 11 -20.470 5.915 -8.983 34 2HH2 ARG 11 2HH2 ARG 11 -21.647 4.931 -9.788 35 H ILE 12 H ILE 12 -23.172 6.273 -4.329 36 HA ILE 12 HA ILE 12 -22.491 5.538 -1.706 37 HB ILE 12 HB ILE 12 -21.151 4.637 -4.261 38 1HG1 ILE 12 2HG1 ILE 12 -23.492 3.401 -2.794 39 2HG1 ILE 12 1HG1 ILE 12 -23.633 4.367 -4.258 40 1HG2 ILE 12 1HG2 ILE 12 -21.322 3.338 -1.542 41 2HG2 ILE 12 2HG2 ILE 12 -19.884 4.059 -2.265 42 3HG2 ILE 12 3HG2 ILE 12 -20.601 2.617 -2.982 43 1HD1 ILE 12 1HD1 ILE 12 -22.174 1.748 -4.001 44 2HD1 ILE 12 2HD1 ILE 12 -22.301 2.717 -5.469 45 3HD1 ILE 12 3HD1 ILE 12 -23.746 2.000 -4.759 46 H ARG 13 H ARG 13 -20.693 5.817 -0.478 47 HA ARG 13 HA ARG 13 -18.903 7.955 -1.235 48 1HB ARG 13 2HB ARG 13 -19.064 6.296 1.288 49 2HB ARG 13 1HB ARG 13 -18.018 7.692 1.064 50 1HG ARG 13 2HG ARG 13 -19.950 9.134 0.804 51 2HG ARG 13 1HG ARG 13 -21.028 7.742 0.945 52 1HD ARG 13 2HD ARG 13 -19.123 8.716 3.073 53 2HD ARG 13 1HD ARG 13 -20.864 8.997 3.049 54 HE ARG 13 HE ARG 13 -20.323 6.229 2.891 55 1HH1 ARG 13 1HH1 ARG 13 -20.262 8.895 5.134 56 2HH1 ARG 13 2HH1 ARG 13 -20.523 7.898 6.527 57 1HH2 ARG 13 1HH2 ARG 13 -20.668 4.909 4.718 58 2HH2 ARG 13 2HH2 ARG 13 -20.753 5.632 6.290 59 H ARG 14 H ARG 14 -16.580 7.228 0.080 60 HA ARG 14 HA ARG 14 -14.564 6.254 -0.319 61 1HB ARG 14 2HB ARG 14 -16.279 3.822 -0.852 62 2HB ARG 14 1HB ARG 14 -14.544 3.803 -0.568 63 1HG ARG 14 2HG ARG 14 -14.891 4.675 1.681 64 2HG ARG 14 1HG ARG 14 -16.632 4.717 1.398 65 1HD ARG 14 2HD ARG 14 -16.001 2.733 2.665 66 2HD ARG 14 1HD ARG 14 -16.645 2.296 1.084 67 HE ARG 14 HE ARG 14 -13.853 2.493 0.904 68 1HH1 ARG 14 1HH1 ARG 14 -16.302 0.483 2.356 69 2HH1 ARG 14 2HH1 ARG 14 -15.326 -0.948 2.330 70 1HH2 ARG 14 1HH2 ARG 14 -12.561 0.614 0.867 71 2HH2 ARG 14 2HH2 ARG 14 -13.199 -0.872 1.485 72 HA PRO 15 HA PRO 15 -14.904 6.794 -4.882 73 1HB PRO 15 2HB PRO 15 -12.789 8.463 -5.119 74 2HB PRO 15 1HB PRO 15 -14.400 9.028 -4.659 75 1HG PRO 15 2HG PRO 15 -12.029 8.448 -2.926 76 2HG PRO 15 1HG PRO 15 -13.161 9.810 -2.852 77 1HD PRO 15 2HD PRO 15 -13.327 7.661 -1.199 78 2HD PRO 15 1HD PRO 15 -14.748 8.591 -1.717 79 H PHE 16 H PHE 16 -11.818 6.547 -3.099 80 HA PHE 16 HA PHE 16 -10.826 4.743 -5.193 81 1HB PHE 16 2HB PHE 16 -9.376 6.357 -3.092 82 2HB PHE 16 1HB PHE 16 -8.581 5.177 -4.127 83 HD1 PHE 16 HD1 PHE 16 -10.335 8.409 -4.057 84 HD2 PHE 16 HD2 PHE 16 -8.080 5.661 -6.398 85 HE1 PHE 16 HE1 PHE 16 -10.043 10.131 -5.790 86 HE2 PHE 16 HE2 PHE 16 -7.783 7.380 -8.136 87 HZ PHE 16 HZ PHE 16 -8.765 9.618 -7.832 88 H SER 17 H SER 17 -9.541 2.887 -4.528 89 HA SER 17 HA SER 17 -10.054 1.880 -1.836 90 1HB SER 17 2HB SER 17 -10.789 0.360 -4.350 91 2HB SER 17 1HB SER 17 -10.838 -0.294 -2.713 92 HG SER 17 HG SER 17 -12.198 2.020 -2.822 93 H VAL 18 H VAL 18 -8.872 -0.287 -1.539 94 HA VAL 18 HA VAL 18 -6.156 0.063 -1.855 95 HB VAL 18 HB VAL 18 -7.149 -1.543 -0.277 96 1HG1 VAL 18 1HG1 VAL 18 -8.872 -2.482 -1.714 97 2HG1 VAL 18 2HG1 VAL 18 -7.641 -3.237 -2.724 98 3HG1 VAL 18 3HG1 VAL 18 -7.852 -3.759 -1.052 99 1HG2 VAL 18 1HG2 VAL 18 -5.481 -3.327 -0.537 100 2HG2 VAL 18 2HG2 VAL 18 -5.160 -2.780 -2.182 101 3HG2 VAL 18 3HG2 VAL 18 -4.783 -1.732 -0.814 102 H ALA 19 H ALA 19 -8.455 -1.218 -4.119 103 HA ALA 19 HA ALA 19 -6.784 -2.673 -5.813 104 1HB ALA 19 1HB ALA 19 -9.228 -2.695 -5.977 105 2HB ALA 19 2HB ALA 19 -9.202 -1.034 -6.567 106 3HB ALA 19 3HB ALA 19 -8.478 -2.322 -7.530 107 H GLU 20 H GLU 20 -7.842 0.719 -6.194 108 HA GLU 20 HA GLU 20 -6.071 1.275 -8.328 109 1HB GLU 20 2HB GLU 20 -8.091 2.608 -7.881 110 2HB GLU 20 1HB GLU 20 -7.380 3.183 -6.379 111 1HG GLU 20 2HG GLU 20 -7.198 4.860 -8.111 112 2HG GLU 20 1HG GLU 20 -5.601 4.281 -7.640 113 H VAL 21 H VAL 21 -5.808 1.535 -4.843 114 HA VAL 21 HA VAL 21 -3.512 3.104 -4.646 115 HB VAL 21 HB VAL 21 -4.383 0.842 -2.838 116 1HG1 VAL 21 1HG1 VAL 21 -3.038 1.974 -1.119 117 2HG1 VAL 21 2HG1 VAL 21 -2.050 1.397 -2.460 118 3HG1 VAL 21 3HG1 VAL 21 -2.456 3.109 -2.337 119 1HG2 VAL 21 1HG2 VAL 21 -6.047 2.657 -3.174 120 2HG2 VAL 21 2HG2 VAL 21 -5.469 2.525 -1.513 121 3HG2 VAL 21 3HG2 VAL 21 -4.858 3.805 -2.561 122 H GLU 22 H GLU 22 -3.917 -0.230 -5.554 123 HA GLU 22 HA GLU 22 -1.383 -1.253 -5.071 124 1HB GLU 22 2HB GLU 22 -3.483 -2.431 -5.980 125 2HB GLU 22 1HB GLU 22 -2.943 -1.896 -7.564 126 1HG GLU 22 2HG GLU 22 -1.276 -3.566 -5.698 127 2HG GLU 22 1HG GLU 22 -2.303 -4.227 -6.969 128 H ALA 23 H ALA 23 -2.567 0.448 -7.958 129 HA ALA 23 HA ALA 23 -0.053 0.420 -9.291 130 1HB ALA 23 1HB ALA 23 -2.027 0.654 -10.611 131 2HB ALA 23 2HB ALA 23 -2.534 2.079 -9.704 132 3HB ALA 23 3HB ALA 23 -1.118 2.159 -10.750 133 H LEU 24 H LEU 24 -1.735 2.724 -7.226 134 HA LEU 24 HA LEU 24 -0.079 4.939 -7.541 135 1HB LEU 24 2HB LEU 24 -2.222 4.979 -6.341 136 2HB LEU 24 1HB LEU 24 -1.517 4.028 -5.047 137 HG LEU 24 HG LEU 24 0.059 5.889 -4.582 138 1HD1 LEU 24 1HD1 LEU 24 -1.606 7.370 -6.612 139 2HD1 LEU 24 2HD1 LEU 24 0.088 6.915 -6.788 140 3HD1 LEU 24 3HD1 LEU 24 -0.387 8.087 -5.559 141 1HD2 LEU 24 1HD2 LEU 24 -2.866 6.617 -4.508 142 2HD2 LEU 24 2HD2 LEU 24 -1.593 7.360 -3.539 143 3HD2 LEU 24 3HD2 LEU 24 -2.002 5.660 -3.305 144 H VAL 25 H VAL 25 0.153 2.294 -5.171 145 HA VAL 25 HA VAL 25 2.528 3.257 -3.973 146 HB VAL 25 HB VAL 25 2.737 1.028 -2.962 147 1HG1 VAL 25 1HG1 VAL 25 1.179 2.830 -2.111 148 2HG1 VAL 25 2HG1 VAL 25 -0.134 1.908 -2.844 149 3HG1 VAL 25 3HG1 VAL 25 0.844 1.187 -1.564 150 1HG2 VAL 25 1HG2 VAL 25 0.294 0.292 -4.565 151 2HG2 VAL 25 2HG2 VAL 25 1.931 -0.264 -4.914 152 3HG2 VAL 25 3HG2 VAL 25 1.146 -0.724 -3.403 153 H GLN 26 H GLN 26 1.873 1.236 -6.738 154 HA GLN 26 HA GLN 26 4.447 0.125 -7.048 155 1HB GLN 26 2HB GLN 26 2.442 -0.702 -8.241 156 2HB GLN 26 1HB GLN 26 2.405 0.781 -9.182 157 1HG GLN 26 2HG GLN 26 4.577 0.229 -10.147 158 2HG GLN 26 1HG GLN 26 4.621 -1.255 -9.197 159 1HE2 GLN 26 1HE2 GLN 26 3.259 -2.959 -9.746 160 2HE2 GLN 26 2HE2 GLN 26 2.475 -3.049 -11.282 161 H ALA 27 H ALA 27 3.127 3.237 -7.651 162 HA ALA 27 HA ALA 27 5.312 4.089 -9.359 163 1HB ALA 27 1HB ALA 27 4.154 6.224 -9.449 164 2HB ALA 27 2HB ALA 27 3.043 4.898 -9.788 165 3HB ALA 27 3HB ALA 27 3.025 5.681 -8.209 166 H VAL 28 H VAL 28 4.312 4.411 -5.998 167 HA VAL 28 HA VAL 28 6.329 6.419 -5.440 168 HB VAL 28 HB VAL 28 5.504 6.499 -3.218 169 1HG1 VAL 28 1HG1 VAL 28 4.086 7.585 -4.846 170 2HG1 VAL 28 2HG1 VAL 28 3.212 6.081 -5.130 171 3HG1 VAL 28 3HG1 VAL 28 3.098 6.884 -3.565 172 1HG2 VAL 28 1HG2 VAL 28 4.156 3.887 -3.855 173 2HG2 VAL 28 2HG2 VAL 28 5.347 4.220 -2.600 174 3HG2 VAL 28 3HG2 VAL 28 3.716 4.878 -2.464 175 H GLU 29 H GLU 29 6.181 2.988 -5.410 176 HA GLU 29 HA GLU 29 7.914 2.378 -3.310 177 1HB GLU 29 2HB GLU 29 8.484 0.326 -4.746 178 2HB GLU 29 1HB GLU 29 6.813 0.546 -4.244 179 1HG GLU 29 2HG GLU 29 6.149 1.234 -6.380 180 2HG GLU 29 1HG GLU 29 7.808 1.495 -6.907 181 H LYS 30 H LYS 30 8.602 4.155 -6.075 182 HA LYS 30 HA LYS 30 11.455 3.457 -5.966 183 1HB LYS 30 2HB LYS 30 11.606 4.661 -8.148 184 2HB LYS 30 1HB LYS 30 10.569 3.240 -8.179 185 1HG LYS 30 2HG LYS 30 8.602 4.582 -8.131 186 2HG LYS 30 1HG LYS 30 9.544 6.044 -7.836 187 1HD LYS 30 2HD LYS 30 10.587 5.820 -10.035 188 2HD LYS 30 1HD LYS 30 9.671 4.340 -10.326 189 1HE LYS 30 2HE LYS 30 7.582 5.610 -10.164 190 2HE LYS 30 1HE LYS 30 8.504 7.086 -9.886 191 1HZ LYS 30 1HZ LYS 30 8.614 5.413 -12.338 192 2HZ LYS 30 2HZ LYS 30 9.499 6.831 -12.074 193 3HZ LYS 30 3HZ LYS 30 7.812 6.896 -12.190 194 H LEU 31 H LEU 31 9.263 6.266 -6.005 195 HA LEU 31 HA LEU 31 11.439 7.838 -4.787 196 1HB LEU 31 2HB LEU 31 10.296 9.837 -5.890 197 2HB LEU 31 1HB LEU 31 11.241 8.773 -6.911 198 HG LEU 31 HG LEU 31 8.993 7.628 -7.457 199 1HD1 LEU 31 1HD1 LEU 31 8.005 10.258 -6.369 200 2HD1 LEU 31 2HD1 LEU 31 7.650 8.654 -5.725 201 3HD1 LEU 31 3HD1 LEU 31 7.049 9.118 -7.316 202 1HD2 LEU 31 1HD2 LEU 31 8.552 9.244 -9.237 203 2HD2 LEU 31 2HD2 LEU 31 10.279 8.941 -9.051 204 3HD2 LEU 31 3HD2 LEU 31 9.572 10.426 -8.416 205 H GLY 32 H GLY 32 9.472 6.335 -3.369 206 1HA GLY 32 1HA GLY 32 7.419 8.148 -2.468 207 2HA GLY 32 2HA GLY 32 7.759 6.552 -1.822 208 H THR 33 H THR 33 7.217 7.921 0.156 209 HA THR 33 HA THR 33 9.747 8.827 1.334 210 HB THR 33 HB THR 33 8.349 10.568 2.594 211 HG1 THR 33 HG1 THR 33 6.635 10.184 0.352 212 1HG2 THR 33 1HG2 THR 33 8.806 10.922 -0.370 213 2HG2 THR 33 2HG2 THR 33 10.005 11.170 0.900 214 3HG2 THR 33 3HG2 THR 33 8.595 12.225 0.800 215 H GLY 34 H GLY 34 6.411 7.773 1.857 216 1HA GLY 34 1HA GLY 34 7.088 5.896 3.833 217 2HA GLY 34 2HA GLY 34 6.566 7.371 4.632 218 H ARG 35 H ARG 35 5.254 6.451 1.550 219 HA ARG 35 HA ARG 35 3.080 6.194 0.907 220 1HB ARG 35 2HB ARG 35 2.089 4.086 1.690 221 2HB ARG 35 1HB ARG 35 3.781 3.898 1.256 222 1HG ARG 35 2HG ARG 35 4.338 4.070 3.684 223 2HG ARG 35 1HG ARG 35 2.607 4.035 4.023 224 1HD ARG 35 2HD ARG 35 2.398 1.854 3.073 225 2HD ARG 35 1HD ARG 35 4.050 1.903 2.459 226 HE ARG 35 HE ARG 35 3.333 1.738 5.314 227 1HH1 ARG 35 1HH1 ARG 35 5.503 1.114 2.659 228 2HH1 ARG 35 2HH1 ARG 35 6.621 0.205 3.620 229 1HH2 ARG 35 1HH2 ARG 35 4.800 0.545 6.585 230 2HH2 ARG 35 2HH2 ARG 35 6.222 -0.120 5.851 231 H TRP 36 H TRP 36 3.394 8.154 3.007 232 HA TRP 36 HA TRP 36 1.365 7.873 4.964 233 1HB TRP 36 2HB TRP 36 2.426 10.475 3.849 234 2HB TRP 36 1HB TRP 36 1.715 10.200 5.436 235 HD1 TRP 36 HD1 TRP 36 4.988 10.211 3.638 236 HE1 TRP 36 HE1 TRP 36 6.873 9.494 5.237 237 HE3 TRP 36 HE3 TRP 36 2.143 8.490 7.523 238 HZ2 TRP 36 HZ2 TRP 36 7.119 8.349 7.808 239 HZ3 TRP 36 HZ3 TRP 36 3.281 7.601 9.514 240 HH2 TRP 36 HH2 TRP 36 5.718 7.532 9.653 241 H ARG 37 H ARG 37 1.461 9.390 1.769 242 HA ARG 37 HA ARG 37 -1.191 10.413 1.870 243 1HB ARG 37 2HB ARG 37 -0.880 10.689 -0.597 244 2HB ARG 37 1HB ARG 37 0.393 11.414 0.376 245 1HG ARG 37 2HG ARG 37 1.641 9.188 -0.018 246 2HG ARG 37 1HG ARG 37 0.490 8.968 -1.338 247 1HD ARG 37 2HD ARG 37 2.447 9.996 -2.238 248 2HD ARG 37 1HD ARG 37 1.165 11.205 -2.195 249 HE ARG 37 HE ARG 37 2.684 11.374 0.165 250 1HH1 ARG 37 1HH1 ARG 37 2.917 12.041 -3.248 251 2HH1 ARG 37 2HH1 ARG 37 4.064 13.324 -3.049 252 1HH2 ARG 37 1HH2 ARG 37 4.192 13.062 0.434 253 2HH2 ARG 37 2HH2 ARG 37 4.789 13.903 -0.956 254 H ASP 38 H ASP 38 0.227 7.375 0.887 255 HA ASP 38 HA ASP 38 -1.976 6.381 -0.582 256 1HB ASP 38 2HB ASP 38 0.191 4.882 0.907 257 2HB ASP 38 1HB ASP 38 -0.918 4.167 -0.260 258 H VAL 39 H VAL 39 -0.910 5.687 2.749 259 HA VAL 39 HA VAL 39 -3.119 4.125 3.465 260 HB VAL 39 HB VAL 39 -1.071 4.179 4.802 261 1HG1 VAL 39 1HG1 VAL 39 -0.623 6.069 6.314 262 2HG1 VAL 39 2HG1 VAL 39 -0.520 6.531 4.615 263 3HG1 VAL 39 3HG1 VAL 39 -1.943 6.964 5.563 264 1HG2 VAL 39 1HG2 VAL 39 -3.579 5.002 6.258 265 2HG2 VAL 39 2HG2 VAL 39 -3.032 3.362 5.903 266 3HG2 VAL 39 3HG2 VAL 39 -2.143 4.359 7.053 267 H LYS 40 H LYS 40 -2.658 7.599 3.423 268 HA LYS 40 HA LYS 40 -4.872 8.315 5.008 269 1HB LYS 40 2HB LYS 40 -3.233 9.730 2.937 270 2HB LYS 40 1HB LYS 40 -4.685 10.487 3.571 271 1HG LYS 40 2HG LYS 40 -2.432 9.501 5.301 272 2HG LYS 40 1HG LYS 40 -2.562 11.154 4.701 273 1HD LYS 40 2HD LYS 40 -4.679 9.781 6.352 274 2HD LYS 40 1HD LYS 40 -3.426 10.828 7.022 275 1HE LYS 40 2HE LYS 40 -4.240 12.676 5.634 276 2HE LYS 40 1HE LYS 40 -5.498 11.629 4.979 277 1HZ LYS 40 1HZ LYS 40 -6.430 11.413 7.190 278 2HZ LYS 40 2HZ LYS 40 -6.333 13.044 6.757 279 3HZ LYS 40 3HZ LYS 40 -5.208 12.389 7.837 280 H LEU 41 H LEU 41 -4.538 7.887 1.493 281 HA LEU 41 HA LEU 41 -7.473 8.045 1.295 282 1HB LEU 41 2HB LEU 41 -5.396 8.567 -0.835 283 2HB LEU 41 1HB LEU 41 -7.131 8.628 -1.078 284 HG LEU 41 HG LEU 41 -5.586 10.447 0.772 285 1HD1 LEU 41 1HD1 LEU 41 -5.037 10.874 -1.560 286 2HD1 LEU 41 2HD1 LEU 41 -6.022 12.178 -0.896 287 3HD1 LEU 41 3HD1 LEU 41 -6.753 10.972 -1.956 288 1HD2 LEU 41 1HD2 LEU 41 -7.677 11.720 0.866 289 2HD2 LEU 41 2HD2 LEU 41 -7.884 10.087 1.498 290 3HD2 LEU 41 3HD2 LEU 41 -8.469 10.488 -0.115 291 H CYS 42 H CYS 42 -5.754 5.677 1.945 292 HA CYS 42 HA CYS 42 -5.510 3.929 -0.200 293 1HB CYS 42 2HB CYS 42 -4.603 3.439 2.024 294 2HB CYS 42 1HB CYS 42 -6.234 3.282 2.668 295 HG CYS 42 HG CYS 42 -4.528 0.847 1.953 296 H ALA 43 H ALA 43 -8.257 4.513 1.932 297 HA ALA 43 HA ALA 43 -10.234 4.132 -0.011 298 1HB ALA 43 1HB ALA 43 -9.797 1.712 1.738 299 2HB ALA 43 2HB ALA 43 -11.155 1.957 0.639 300 3HB ALA 43 3HB ALA 43 -9.519 1.796 -0.001 301 H PHE 44 H PHE 44 -9.437 5.651 2.455 302 HA PHE 44 HA PHE 44 -10.474 6.780 4.126 303 1HB PHE 44 2HB PHE 44 -12.423 6.794 2.486 304 2HB PHE 44 1HB PHE 44 -13.030 5.367 3.321 305 HD1 PHE 44 HD1 PHE 44 -14.487 5.633 5.086 306 HD2 PHE 44 HD2 PHE 44 -11.946 8.867 3.995 307 HE1 PHE 44 HE1 PHE 44 -15.625 7.075 6.723 308 HE2 PHE 44 HE2 PHE 44 -13.078 10.315 5.630 309 HZ PHE 44 HZ PHE 44 -14.920 9.419 6.997 310 H GLU 45 H GLU 45 -9.630 3.831 4.002 311 HA GLU 45 HA GLU 45 -11.028 2.700 6.246 312 1HB GLU 45 2HB GLU 45 -8.740 1.670 4.574 313 2HB GLU 45 1HB GLU 45 -9.460 0.773 5.905 314 1HG GLU 45 2HG GLU 45 -10.893 1.677 3.418 315 2HG GLU 45 1HG GLU 45 -10.316 0.043 3.743 316 H ASP 46 H ASP 46 -7.655 3.582 5.514 317 HA ASP 46 HA ASP 46 -7.189 3.775 8.420 318 1HB ASP 46 2HB ASP 46 -5.202 3.199 6.213 319 2HB ASP 46 1HB ASP 46 -4.803 3.368 7.920 320 H ALA 47 H ALA 47 -8.319 5.835 6.722 321 HA ALA 47 HA ALA 47 -6.392 7.783 6.039 322 1HB ALA 47 1HB ALA 47 -8.269 9.325 5.889 323 2HB ALA 47 2HB ALA 47 -8.670 7.779 5.142 324 3HB ALA 47 3HB ALA 47 -9.298 8.174 6.741 325 H ASP 48 H ASP 48 -7.025 6.607 9.028 326 HA ASP 48 HA ASP 48 -6.419 9.182 10.329 327 1HB ASP 48 2HB ASP 48 -7.912 6.813 11.477 328 2HB ASP 48 1HB ASP 48 -7.504 8.282 12.358 329 H HIS 49 H HIS 49 -5.038 6.406 9.372 330 HA HIS 49 HA HIS 49 -3.112 5.313 9.873 331 1HB HIS 49 2HB HIS 49 -2.670 7.627 11.770 332 2HB HIS 49 1HB HIS 49 -1.450 6.452 11.295 333 HD1 HIS 49 HD1 HIS 49 -0.187 6.914 9.179 334 HD2 HIS 49 HD2 HIS 49 -3.535 9.339 9.598 335 HE1 HIS 49 HE1 HIS 49 -0.027 8.606 7.326 336 HE2 HIS 49 HE2 HIS 49 -2.016 10.116 7.653 337 H ARG 50 H ARG 50 -3.173 3.441 10.895 338 HA ARG 50 HA ARG 50 -4.425 3.260 13.518 339 1HB ARG 50 2HB ARG 50 -5.101 1.677 11.766 340 2HB ARG 50 1HB ARG 50 -3.448 1.084 11.663 341 1HG ARG 50 2HG ARG 50 -3.578 0.267 13.949 342 2HG ARG 50 1HG ARG 50 -5.219 0.898 14.092 343 1HD ARG 50 2HD ARG 50 -4.300 -1.226 12.158 344 2HD ARG 50 1HD ARG 50 -5.218 -1.505 13.637 345 HE ARG 50 HE ARG 50 -6.600 0.325 12.003 346 1HH1 ARG 50 1HH1 ARG 50 -5.746 -3.052 12.151 347 2HH1 ARG 50 2HH1 ARG 50 -7.131 -3.573 11.251 348 1HH2 ARG 50 1HH2 ARG 50 -8.425 -0.354 10.817 349 2HH2 ARG 50 2HH2 ARG 50 -8.654 -2.041 10.493 350 H THR 51 H THR 51 -1.504 1.794 12.063 351 HA THR 51 HA THR 51 0.110 2.585 14.328 352 HB THR 51 HB THR 51 -0.248 -0.371 13.802 353 HG1 THR 51 HG1 THR 51 -2.053 -0.015 14.891 354 1HG2 THR 51 1HG2 THR 51 1.226 1.190 15.919 355 2HG2 THR 51 2HG2 THR 51 1.908 0.096 14.715 356 3HG2 THR 51 3HG2 THR 51 0.910 -0.542 16.019 357 H TYR 52 H TYR 52 2.401 2.102 13.983 358 HA TYR 52 HA TYR 52 3.175 2.473 11.318 359 1HB TYR 52 2HB TYR 52 5.446 2.340 12.059 360 2HB TYR 52 1HB TYR 52 4.519 3.194 13.278 361 HD1 TYR 52 HD1 TYR 52 3.412 1.140 14.973 362 HD2 TYR 52 HD2 TYR 52 7.190 1.230 13.024 363 HE1 TYR 52 HE1 TYR 52 4.330 -0.336 16.704 364 HE2 TYR 52 HE2 TYR 52 8.118 -0.255 14.747 365 HH TYR 52 HH TYR 52 6.187 -1.934 16.968 366 H VAL 53 H VAL 53 3.278 -0.481 13.314 367 HA VAL 53 HA VAL 53 4.339 -2.046 11.150 368 HB VAL 53 HB VAL 53 3.146 -2.904 13.791 369 1HG1 VAL 53 1HG1 VAL 53 4.553 -4.551 11.686 370 2HG1 VAL 53 2HG1 VAL 53 4.128 -5.112 13.304 371 3HG1 VAL 53 3HG1 VAL 53 2.858 -4.681 12.158 372 1HG2 VAL 53 1HG2 VAL 53 5.397 -3.246 14.500 373 2HG2 VAL 53 2HG2 VAL 53 6.016 -2.936 12.879 374 3HG2 VAL 53 3HG2 VAL 53 5.300 -1.625 13.815 375 H ASP 54 H ASP 54 1.133 -1.568 12.593 376 HA ASP 54 HA ASP 54 -0.227 -3.543 11.125 377 1HB ASP 54 2HB ASP 54 -1.175 -0.925 12.302 378 2HB ASP 54 1HB ASP 54 -2.264 -2.075 11.532 379 H LEU 55 H LEU 55 0.226 -0.090 10.470 380 HA LEU 55 HA LEU 55 -1.073 0.037 8.003 381 1HB LEU 55 2HB LEU 55 -0.273 1.965 9.391 382 2HB LEU 55 1HB LEU 55 1.360 1.602 8.887 383 HG LEU 55 HG LEU 55 -0.820 2.322 6.931 384 1HD1 LEU 55 1HD1 LEU 55 1.143 4.115 8.351 385 2HD1 LEU 55 2HD1 LEU 55 -0.618 4.170 8.451 386 3HD1 LEU 55 3HD1 LEU 55 0.195 4.586 6.942 387 1HD2 LEU 55 1HD2 LEU 55 1.195 3.015 5.576 388 2HD2 LEU 55 2HD2 LEU 55 1.000 1.281 5.824 389 3HD2 LEU 55 3HD2 LEU 55 2.183 2.178 6.775 390 H LYS 56 H LYS 56 2.243 -0.772 8.875 391 HA LYS 56 HA LYS 56 3.235 -1.060 6.243 392 1HB LYS 56 2HB LYS 56 4.710 -0.735 8.163 393 2HB LYS 56 1HB LYS 56 4.185 -2.263 8.851 394 1HG LYS 56 2HG LYS 56 5.385 -2.295 6.136 395 2HG LYS 56 1HG LYS 56 6.448 -2.032 7.518 396 1HD LYS 56 2HD LYS 56 4.553 -4.360 7.193 397 2HD LYS 56 1HD LYS 56 6.288 -4.411 6.882 398 1HE LYS 56 2HE LYS 56 4.965 -3.822 9.530 399 2HE LYS 56 1HE LYS 56 5.774 -5.323 9.081 400 1HZ LYS 56 1HZ LYS 56 7.847 -4.121 8.882 401 2HZ LYS 56 2HZ LYS 56 7.192 -3.888 10.423 402 3HZ LYS 56 3HZ LYS 56 7.079 -2.661 9.265 403 H ASP 57 H ASP 57 1.425 -3.127 8.359 404 HA ASP 57 HA ASP 57 1.999 -5.601 7.122 405 1HB ASP 57 2HB ASP 57 0.937 -5.250 9.396 406 2HB ASP 57 1HB ASP 57 -0.559 -4.876 8.551 407 H LYS 58 H LYS 58 -0.673 -3.303 6.752 408 HA LYS 58 HA LYS 58 -2.069 -4.744 4.775 409 1HB LYS 58 2HB LYS 58 -2.965 -2.819 6.133 410 2HB LYS 58 1HB LYS 58 -2.037 -1.742 5.099 411 1HG LYS 58 2HG LYS 58 -3.287 -2.565 3.150 412 2HG LYS 58 1HG LYS 58 -4.246 -3.588 4.221 413 1HD LYS 58 2HD LYS 58 -4.965 -1.541 5.436 414 2HD LYS 58 1HD LYS 58 -4.109 -0.575 4.233 415 1HE LYS 58 2HE LYS 58 -6.446 -2.420 3.763 416 2HE LYS 58 1HE LYS 58 -6.439 -0.661 3.646 417 1HZ LYS 58 1HZ LYS 58 -4.854 -0.856 1.803 418 2HZ LYS 58 2HZ LYS 58 -6.319 -1.631 1.464 419 3HZ LYS 58 3HZ LYS 58 -4.960 -2.543 1.888 420 H TRP 59 H TRP 59 0.527 -2.394 4.607 421 HA TRP 59 HA TRP 59 0.498 -2.033 1.793 422 1HB TRP 59 2HB TRP 59 1.653 -0.324 2.785 423 2HB TRP 59 1HB TRP 59 2.295 -1.354 4.057 424 HD1 TRP 59 HD1 TRP 59 4.564 -2.718 3.491 425 HE1 TRP 59 HE1 TRP 59 6.460 -2.199 1.822 426 HE3 TRP 59 HE3 TRP 59 2.129 0.640 0.507 427 HZ2 TRP 59 HZ2 TRP 59 6.860 -0.599 -0.464 428 HZ3 TRP 59 HZ3 TRP 59 3.338 1.616 -1.397 429 HH2 TRP 59 HH2 TRP 59 5.652 1.010 -1.873 430 H LYS 60 H LYS 60 2.337 -4.131 3.950 431 HA LYS 60 HA LYS 60 3.994 -5.328 2.024 432 1HB LYS 60 2HB LYS 60 4.412 -5.483 4.441 433 2HB LYS 60 1HB LYS 60 2.975 -6.476 4.631 434 1HG LYS 60 2HG LYS 60 4.554 -7.713 2.656 435 2HG LYS 60 1HG LYS 60 5.639 -7.262 3.972 436 1HD LYS 60 2HD LYS 60 4.827 -9.458 4.433 437 2HD LYS 60 1HD LYS 60 4.029 -8.353 5.553 438 1HE LYS 60 2HE LYS 60 2.031 -8.359 4.193 439 2HE LYS 60 1HE LYS 60 2.826 -9.356 2.975 440 1HZ LYS 60 1HZ LYS 60 3.032 -11.116 4.649 441 2HZ LYS 60 2HZ LYS 60 1.416 -10.706 4.362 442 3HZ LYS 60 3HZ LYS 60 2.191 -10.160 5.764 443 H THR 61 H THR 61 0.722 -5.984 3.041 444 HA THR 61 HA THR 61 0.567 -8.487 1.569 445 HB THR 61 HB THR 61 -1.577 -6.901 3.006 446 HG1 THR 61 HG1 THR 61 -1.355 -8.803 4.452 447 1HG2 THR 61 1HG2 THR 61 -2.931 -8.960 2.813 448 2HG2 THR 61 2HG2 THR 61 -1.686 -9.658 1.777 449 3HG2 THR 61 3HG2 THR 61 -2.580 -8.234 1.245 450 H LEU 62 H LEU 62 -0.123 -5.152 1.183 451 HA LEU 62 HA LEU 62 -1.940 -5.254 -0.957 452 1HB LEU 62 2HB LEU 62 -1.852 -3.216 0.111 453 2HB LEU 62 1HB LEU 62 -0.109 -3.241 0.249 454 HG LEU 62 HG LEU 62 -0.040 -2.821 -2.255 455 1HD1 LEU 62 1HD1 LEU 62 -2.018 -1.821 -3.247 456 2HD1 LEU 62 2HD1 LEU 62 -2.927 -2.107 -1.763 457 3HD1 LEU 62 3HD1 LEU 62 -2.358 -3.472 -2.726 458 1HD2 LEU 62 1HD2 LEU 62 0.468 -1.140 -0.575 459 2HD2 LEU 62 2HD2 LEU 62 -1.248 -0.758 -0.422 460 3HD2 LEU 62 3HD2 LEU 62 -0.402 -0.424 -1.933 461 H VAL 63 H VAL 63 1.557 -5.381 -0.757 462 HA VAL 63 HA VAL 63 1.843 -5.296 -3.650 463 HB VAL 63 HB VAL 63 4.283 -5.592 -3.170 464 1HG1 VAL 63 1HG1 VAL 63 3.327 -3.378 -3.478 465 2HG1 VAL 63 2HG1 VAL 63 2.911 -3.303 -1.765 466 3HG1 VAL 63 3HG1 VAL 63 4.603 -3.336 -2.261 467 1HG2 VAL 63 1HG2 VAL 63 5.046 -5.280 -0.847 468 2HG2 VAL 63 2HG2 VAL 63 3.372 -5.385 -0.301 469 3HG2 VAL 63 3HG2 VAL 63 4.141 -6.779 -1.062 470 H HIS 64 H HIS 64 2.352 -7.576 -0.975 471 HA HIS 64 HA HIS 64 3.336 -9.750 -2.369 472 1HB HIS 64 2HB HIS 64 3.314 -9.944 -0.031 473 2HB HIS 64 1HB HIS 64 1.614 -9.508 0.084 474 HD1 HIS 64 HD1 HIS 64 3.839 -12.409 -0.851 475 HD2 HIS 64 HD2 HIS 64 -0.148 -11.621 0.013 476 HE1 HIS 64 HE1 HIS 64 2.739 -14.659 -0.638 477 HE2 HIS 64 HE2 HIS 64 0.310 -14.157 -0.200 478 H THR 65 H THR 65 0.020 -8.643 -2.015 479 HA THR 65 HA THR 65 -1.090 -10.918 -3.403 480 HB THR 65 HB THR 65 -2.437 -8.305 -2.685 481 HG1 THR 65 HG1 THR 65 -3.245 -9.670 -0.903 482 1HG2 THR 65 1HG2 THR 65 -3.646 -9.583 -4.379 483 2HG2 THR 65 2HG2 THR 65 -4.509 -9.622 -2.841 484 3HG2 THR 65 3HG2 THR 65 -3.573 -11.022 -3.364 485 H ALA 66 H ALA 66 0.159 -7.819 -4.251 486 HA ALA 66 HA ALA 66 -1.251 -7.340 -6.633 487 1HB ALA 66 1HB ALA 66 1.565 -6.517 -5.943 488 2HB ALA 66 2HB ALA 66 0.552 -5.814 -7.204 489 3HB ALA 66 3HB ALA 66 0.100 -5.636 -5.508 490 H LYS 67 H LYS 67 2.213 -7.998 -6.797 491 HA LYS 67 HA LYS 67 1.902 -10.396 -8.325 492 1HB LYS 67 2HB LYS 67 2.713 -9.585 -10.447 493 2HB LYS 67 1HB LYS 67 1.276 -8.679 -10.001 494 1HG LYS 67 2HG LYS 67 4.050 -7.651 -9.482 495 2HG LYS 67 1HG LYS 67 3.205 -7.376 -11.005 496 1HD LYS 67 2HD LYS 67 2.153 -6.585 -8.291 497 2HD LYS 67 1HD LYS 67 2.990 -5.497 -9.397 498 1HE LYS 67 2HE LYS 67 0.401 -6.943 -9.949 499 2HE LYS 67 1HE LYS 67 0.570 -5.231 -9.563 500 1HZ LYS 67 1HZ LYS 67 0.332 -5.583 -11.937 501 2HZ LYS 67 2HZ LYS 67 1.696 -6.582 -11.958 502 3HZ LYS 67 3HZ LYS 67 1.857 -4.939 -11.587 503 H ILE 68 H ILE 68 3.370 -9.432 -6.001 504 HA ILE 68 HA ILE 68 6.087 -8.990 -6.578 505 HB ILE 68 HB ILE 68 4.707 -10.089 -4.131 506 1HG1 ILE 68 2HG1 ILE 68 4.290 -7.732 -4.675 507 2HG1 ILE 68 1HG1 ILE 68 5.225 -7.887 -3.191 508 1HG2 ILE 68 1HG2 ILE 68 6.839 -9.722 -2.924 509 2HG2 ILE 68 2HG2 ILE 68 7.634 -9.446 -4.473 510 3HG2 ILE 68 3HG2 ILE 68 6.931 -11.021 -4.113 511 1HD1 ILE 68 1HD1 ILE 68 7.262 -7.351 -4.439 512 2HD1 ILE 68 2HD1 ILE 68 6.057 -6.069 -4.549 513 3HD1 ILE 68 3HD1 ILE 68 6.303 -7.165 -5.906 514 H SER 69 H SER 69 4.163 -11.831 -6.700 515 HA SER 69 HA SER 69 4.607 -14.007 -7.184 516 1HB SER 69 2HB SER 69 5.710 -13.059 -9.153 517 2HB SER 69 1HB SER 69 7.202 -12.849 -8.234 518 HG SER 69 HG SER 69 5.981 -15.220 -9.133 519 HA PRO 70 HA PRO 70 7.175 -14.528 -3.380 520 1HB PRO 70 2HB PRO 70 5.348 -15.854 -1.919 521 2HB PRO 70 1HB PRO 70 5.343 -14.092 -2.049 522 1HG PRO 70 2HG PRO 70 3.642 -16.103 -3.464 523 2HG PRO 70 1HG PRO 70 3.188 -14.530 -2.783 524 1HD PRO 70 2HD PRO 70 3.680 -14.977 -5.448 525 2HD PRO 70 1HD PRO 70 3.841 -13.400 -4.653 526 H GLN 71 H GLN 71 6.113 -16.420 -5.838 527 HA GLN 71 HA GLN 71 7.032 -18.929 -4.616 528 1HB GLN 71 2HB GLN 71 5.998 -20.029 -6.589 529 2HB GLN 71 1HB GLN 71 4.849 -19.122 -5.615 530 1HG GLN 71 2HG GLN 71 4.935 -17.282 -7.215 531 2HG GLN 71 1HG GLN 71 6.090 -18.187 -8.192 532 1HE2 GLN 71 1HE2 GLN 71 2.786 -17.934 -7.152 533 2HE2 GLN 71 2HE2 GLN 71 2.120 -19.018 -8.321 534 H GLN 72 H GLN 72 7.495 -16.831 -7.426 535 HA GLN 72 HA GLN 72 9.208 -16.587 -8.899 536 1HB GLN 72 2HB GLN 72 10.826 -17.923 -6.724 537 2HB GLN 72 1HB GLN 72 11.483 -17.028 -8.087 538 1HG GLN 72 2HG GLN 72 10.361 -15.000 -7.266 539 2HG GLN 72 1HG GLN 72 9.779 -15.910 -5.872 540 1HE2 GLN 72 1HE2 GLN 72 11.251 -16.580 -4.297 541 2HE2 GLN 72 2HE2 GLN 72 12.818 -15.865 -4.150 542 H ARG 73 H ARG 73 7.736 -19.315 -8.473 543 HA ARG 73 HA ARG 73 7.671 -21.348 -9.488 544 1HB ARG 73 2HB ARG 73 9.578 -20.016 -11.421 545 2HB ARG 73 1HB ARG 73 8.724 -21.524 -11.716 546 1HG ARG 73 2HG ARG 73 6.591 -20.357 -11.602 547 2HG ARG 73 1HG ARG 73 7.433 -18.841 -11.266 548 1HD ARG 73 2HD ARG 73 6.792 -18.999 -13.618 549 2HD ARG 73 1HD ARG 73 8.546 -18.967 -13.431 550 HE ARG 73 HE ARG 73 7.585 -21.635 -13.531 551 1HH1 ARG 73 1HH1 ARG 73 8.240 -18.860 -15.536 552 2HH1 ARG 73 2HH1 ARG 73 8.523 -19.798 -16.964 553 1HH2 ARG 73 1HH2 ARG 73 7.957 -22.876 -15.407 554 2HH2 ARG 73 2HH2 ARG 73 8.362 -22.082 -16.890 555 H ARG 74 H ARG 74 9.958 -20.555 -7.588 556 HA ARG 74 HA ARG 74 11.837 -22.705 -8.297 557 1HB ARG 74 2HB ARG 74 12.826 -20.464 -7.977 558 2HB ARG 74 1HB ARG 74 12.191 -20.429 -6.339 559 1HG ARG 74 2HG ARG 74 14.499 -21.001 -6.227 560 2HG ARG 74 1HG ARG 74 13.565 -22.444 -5.834 561 1HD ARG 74 2HD ARG 74 15.417 -22.984 -7.322 562 2HD ARG 74 1HD ARG 74 13.868 -23.264 -8.117 563 HE ARG 74 HE ARG 74 14.588 -20.713 -8.822 564 1HH1 ARG 74 1HH1 ARG 74 16.010 -23.881 -9.122 565 2HH1 ARG 74 2HH1 ARG 74 16.855 -23.502 -10.585 566 1HH2 ARG 74 1HH2 ARG 74 15.698 -20.208 -10.747 567 2HH2 ARG 74 2HH2 ARG 74 16.679 -21.415 -11.509 568 H GLY 75 H GLY 75 9.804 -21.433 -5.710 569 1HA GLY 75 1HA GLY 75 8.592 -23.063 -4.354 570 2HA GLY 75 2HA GLY 75 10.047 -24.049 -4.362 571 H GLU 76 H GLU 76 8.242 -21.867 -2.605 572 HA GLU 76 HA GLU 76 10.398 -21.584 -0.659 573 1HB GLU 76 2HB GLU 76 10.465 -19.519 -1.984 574 2HB GLU 76 1HB GLU 76 8.757 -19.251 -1.666 575 1HG GLU 76 2HG GLU 76 9.235 -19.019 0.716 576 2HG GLU 76 1HG GLU 76 10.947 -19.295 0.400 577 HA PRO 77 HA PRO 77 6.989 -22.685 1.988 578 1HB PRO 77 2HB PRO 77 8.164 -22.227 4.389 579 2HB PRO 77 1HB PRO 77 8.541 -23.631 3.390 580 1HG PRO 77 2HG PRO 77 10.051 -21.071 3.704 581 2HG PRO 77 1HG PRO 77 10.667 -22.731 3.611 582 1HD PRO 77 2HD PRO 77 10.701 -21.018 1.502 583 2HD PRO 77 1HD PRO 77 10.556 -22.776 1.316 584 H VAL 78 H VAL 78 8.518 -20.310 4.047 585 HA VAL 78 HA VAL 78 6.036 -18.816 4.187 586 HB VAL 78 HB VAL 78 8.616 -18.359 5.693 587 1HG1 VAL 78 1HG1 VAL 78 7.203 -17.099 7.257 588 2HG1 VAL 78 2HG1 VAL 78 7.195 -16.389 5.643 589 3HG1 VAL 78 3HG1 VAL 78 5.819 -17.346 6.191 590 1HG2 VAL 78 1HG2 VAL 78 6.142 -19.883 6.508 591 2HG2 VAL 78 2HG2 VAL 78 7.725 -20.576 6.153 592 3HG2 VAL 78 3HG2 VAL 78 7.517 -19.524 7.552 593 HA PRO 79 HA PRO 79 7.548 -15.784 1.270 594 1HB PRO 79 2HB PRO 79 5.525 -14.013 1.458 595 2HB PRO 79 1HB PRO 79 5.343 -15.566 0.635 596 1HG PRO 79 2HG PRO 79 4.506 -14.779 3.399 597 2HG PRO 79 1HG PRO 79 3.617 -15.718 2.187 598 1HD PRO 79 2HD PRO 79 4.962 -16.860 4.260 599 2HD PRO 79 1HD PRO 79 4.731 -17.663 2.693 600 H GLN 80 H GLN 80 9.380 -15.067 2.402 601 HA GLN 80 HA GLN 80 9.019 -12.960 4.400 602 1HB GLN 80 2HB GLN 80 11.445 -14.509 3.490 603 2HB GLN 80 1HB GLN 80 11.519 -13.181 4.636 604 1HG GLN 80 2HG GLN 80 9.975 -15.738 5.005 605 2HG GLN 80 1HG GLN 80 11.523 -15.346 5.753 606 1HE2 GLN 80 1HE2 GLN 80 8.109 -14.712 5.713 607 2HE2 GLN 80 2HE2 GLN 80 8.042 -13.859 7.213 608 H GLU 81 H GLU 81 10.001 -13.467 1.135 609 HA GLU 81 HA GLU 81 11.603 -11.338 0.524 610 1HB GLU 81 2HB GLU 81 9.381 -12.592 -1.077 611 2HB GLU 81 1HB GLU 81 10.480 -11.396 -1.743 612 1HG GLU 81 2HG GLU 81 12.370 -12.868 -1.284 613 2HG GLU 81 1HG GLU 81 11.272 -14.065 -0.598 614 H LEU 82 H LEU 82 8.125 -11.300 1.035 615 HA LEU 82 HA LEU 82 7.614 -8.732 0.043 616 1HB LEU 82 2HB LEU 82 5.886 -9.319 2.217 617 2HB LEU 82 1HB LEU 82 5.519 -9.310 0.512 618 HG LEU 82 HG LEU 82 6.677 -11.694 1.958 619 1HD1 LEU 82 1HD1 LEU 82 4.363 -12.596 1.856 620 2HD1 LEU 82 2HD1 LEU 82 3.807 -10.989 1.397 621 3HD1 LEU 82 3HD1 LEU 82 4.561 -11.243 2.970 622 1HD2 LEU 82 1HD2 LEU 82 5.870 -12.916 -0.003 623 2HD2 LEU 82 2HD2 LEU 82 7.027 -11.666 -0.460 624 3HD2 LEU 82 3HD2 LEU 82 5.302 -11.405 -0.712 625 H LEU 83 H LEU 83 7.925 -9.802 3.438 626 HA LEU 83 HA LEU 83 7.926 -7.271 4.594 627 1HB LEU 83 2HB LEU 83 9.209 -9.849 5.478 628 2HB LEU 83 1HB LEU 83 9.213 -8.403 6.468 629 HG LEU 83 HG LEU 83 6.698 -9.753 5.491 630 1HD1 LEU 83 1HD1 LEU 83 7.930 -11.253 6.961 631 2HD1 LEU 83 2HD1 LEU 83 6.487 -10.632 7.763 632 3HD1 LEU 83 3HD1 LEU 83 8.073 -9.974 8.166 633 1HD2 LEU 83 1HD2 LEU 83 7.181 -7.643 7.594 634 2HD2 LEU 83 2HD2 LEU 83 5.627 -8.388 7.218 635 3HD2 LEU 83 3HD2 LEU 83 6.439 -7.388 6.014 636 H ASN 84 H ASN 84 10.548 -9.115 3.158 637 HA ASN 84 HA ASN 84 12.691 -7.542 4.089 638 1HB ASN 84 2HB ASN 84 13.023 -9.769 3.130 639 2HB ASN 84 1HB ASN 84 12.469 -9.192 1.561 640 1HD2 ASN 84 1HD2 ASN 84 13.798 -7.837 0.349 641 2HD2 ASN 84 2HD2 ASN 84 15.485 -7.678 0.679 642 H ARG 85 H ARG 85 10.921 -7.443 0.993 643 HA ARG 85 HA ARG 85 12.341 -5.177 0.027 644 1HB ARG 85 2HB ARG 85 10.682 -5.121 -1.760 645 2HB ARG 85 1HB ARG 85 11.250 -6.761 -1.488 646 1HG ARG 85 2HG ARG 85 9.217 -7.241 -0.208 647 2HG ARG 85 1HG ARG 85 8.645 -5.602 -0.523 648 1HD ARG 85 2HD ARG 85 7.629 -7.177 -2.072 649 2HD ARG 85 1HD ARG 85 8.686 -6.057 -2.930 650 HE ARG 85 HE ARG 85 9.604 -8.756 -2.193 651 1HH1 ARG 85 1HH1 ARG 85 9.026 -6.275 -4.575 652 2HH1 ARG 85 2HH1 ARG 85 9.824 -7.134 -5.848 653 1HH2 ARG 85 1HH2 ARG 85 10.655 -9.891 -3.866 654 2HH2 ARG 85 2HH2 ARG 85 10.749 -9.189 -5.446 655 H VAL 86 H VAL 86 9.715 -5.543 2.205 656 HA VAL 86 HA VAL 86 8.517 -2.987 1.789 657 HB VAL 86 HB VAL 86 8.349 -4.966 4.054 658 1HG1 VAL 86 1HG1 VAL 86 6.998 -2.280 3.828 659 2HG1 VAL 86 2HG1 VAL 86 6.514 -3.546 4.955 660 3HG1 VAL 86 3HG1 VAL 86 8.111 -2.810 5.090 661 1HG2 VAL 86 1HG2 VAL 86 6.236 -4.001 2.137 662 2HG2 VAL 86 2HG2 VAL 86 7.223 -5.435 1.868 663 3HG2 VAL 86 3HG2 VAL 86 6.137 -5.362 3.252 664 H LEU 87 H LEU 87 10.468 -4.212 4.528 665 HA LEU 87 HA LEU 87 10.915 -1.682 5.664 666 1HB LEU 87 2HB LEU 87 12.156 -4.373 5.949 667 2HB LEU 87 1HB LEU 87 13.028 -2.996 6.597 668 HG LEU 87 HG LEU 87 11.078 -2.427 7.996 669 1HD1 LEU 87 1HD1 LEU 87 9.320 -3.353 6.598 670 2HD1 LEU 87 2HD1 LEU 87 9.245 -4.029 8.225 671 3HD1 LEU 87 3HD1 LEU 87 9.916 -4.984 6.903 672 1HD2 LEU 87 1HD2 LEU 87 12.074 -5.257 8.293 673 2HD2 LEU 87 2HD2 LEU 87 11.281 -4.314 9.554 674 3HD2 LEU 87 3HD2 LEU 87 12.847 -3.802 8.924 675 H ASN 88 H ASN 88 12.427 -3.333 3.034 676 HA ASN 88 HA ASN 88 14.834 -1.784 3.004 677 1HB ASN 88 2HB ASN 88 14.545 -4.076 1.974 678 2HB ASN 88 1HB ASN 88 13.610 -3.305 0.698 679 1HD2 ASN 88 1HD2 ASN 88 16.121 -4.771 0.550 680 2HD2 ASN 88 2HD2 ASN 88 17.264 -3.690 -0.165 681 H ALA 89 H ALA 89 11.890 -1.796 1.006 682 HA ALA 89 HA ALA 89 12.561 0.443 -0.557 683 1HB ALA 89 1HB ALA 89 10.828 -1.164 -1.195 684 2HB ALA 89 2HB ALA 89 9.815 -0.598 0.134 685 3HB ALA 89 3HB ALA 89 10.212 0.489 -1.197 686 H HIS 90 H HIS 90 10.335 0.214 2.229 687 HA HIS 90 HA HIS 90 9.705 2.899 2.450 688 1HB HIS 90 2HB HIS 90 8.589 1.107 3.727 689 2HB HIS 90 1HB HIS 90 10.038 0.911 4.705 690 HD1 HIS 90 HD1 HIS 90 7.058 3.090 4.254 691 HD2 HIS 90 HD2 HIS 90 10.479 2.951 6.608 692 HE1 HIS 90 HE1 HIS 90 6.674 4.757 6.096 693 HE2 HIS 90 HE2 HIS 90 8.721 4.593 7.556 694 H GLY 91 H GLY 91 12.224 1.121 4.235 695 1HA GLY 91 1HA GLY 91 13.378 3.290 5.543 696 2HA GLY 91 2HA GLY 91 14.224 1.805 5.127 697 H TYR 92 H TYR 92 13.838 2.114 2.273 698 HA TYR 92 HA TYR 92 16.147 3.638 1.667 699 1HB TYR 92 2HB TYR 92 15.819 1.911 0.166 700 2HB TYR 92 1HB TYR 92 14.080 2.161 0.093 701 HD1 TYR 92 HD1 TYR 92 13.115 3.704 -1.465 702 HD2 TYR 92 HD2 TYR 92 17.336 3.267 -1.210 703 HE1 TYR 92 HE1 TYR 92 13.356 4.907 -3.592 704 HE2 TYR 92 HE2 TYR 92 17.594 4.472 -3.339 705 HH TYR 92 HH TYR 92 16.262 4.975 -5.344 706 H TRP 93 H TRP 93 12.676 4.294 1.337 707 HA TRP 93 HA TRP 93 12.856 6.676 -0.111 708 1HB TRP 93 2HB TRP 93 10.841 6.057 2.059 709 2HB TRP 93 1HB TRP 93 10.667 7.255 0.786 710 HD1 TRP 93 HD1 TRP 93 11.787 5.045 -1.494 711 HE1 TRP 93 HE1 TRP 93 10.043 3.354 -2.349 712 HE3 TRP 93 HE3 TRP 93 8.388 5.411 2.298 713 HZ2 TRP 93 HZ2 TRP 93 7.545 2.318 -1.517 714 HZ3 TRP 93 HZ3 TRP 93 6.347 4.044 2.196 715 HH2 TRP 93 HH2 TRP 93 5.935 2.532 0.329 716 H THR 94 H THR 94 12.526 6.255 3.402 717 HA THR 94 HA THR 94 12.951 8.966 4.043 718 HB THR 94 HB THR 94 13.300 8.193 6.358 719 HG1 THR 94 HG1 THR 94 13.656 5.760 5.036 720 1HG2 THR 94 1HG2 THR 94 11.042 6.788 4.925 721 2HG2 THR 94 2HG2 THR 94 11.021 8.450 5.513 722 3HG2 THR 94 3HG2 THR 94 11.118 7.113 6.657 723 H GLN 95 H GLN 95 15.184 6.192 4.186 724 HA GLN 95 HA GLN 95 17.399 7.665 5.122 725 1HB GLN 95 2HB GLN 95 17.212 5.028 3.681 726 2HB GLN 95 1HB GLN 95 18.734 5.696 4.254 727 1HG GLN 95 2HG GLN 95 16.354 5.024 5.968 728 2HG GLN 95 1HG GLN 95 17.820 4.058 5.808 729 1HE2 GLN 95 1HE2 GLN 95 16.418 6.954 7.114 730 2HE2 GLN 95 2HE2 GLN 95 17.717 7.347 8.182 731 H GLN 96 H GLN 96 16.923 6.308 1.847 732 HA GLN 96 HA GLN 96 19.060 7.693 0.716 733 1HB GLN 96 2HB GLN 96 17.878 5.746 -0.320 734 2HB GLN 96 1HB GLN 96 16.557 6.829 -0.733 735 1HG GLN 96 2HG GLN 96 17.734 6.791 -2.692 736 2HG GLN 96 1HG GLN 96 18.418 8.212 -1.908 737 1HE2 GLN 96 1HE2 GLN 96 19.945 6.567 0.000 738 2HE2 GLN 96 2HE2 GLN 96 21.276 5.931 -0.898 739 H GLN 97 H GLN 97 15.941 8.767 1.614 740 HA GLN 97 HA GLN 97 14.848 10.753 1.452 741 1HB GLN 97 2HB GLN 97 17.050 11.476 2.457 742 2HB GLN 97 1HB GLN 97 17.559 11.931 0.836 743 1HG GLN 97 2HG GLN 97 15.709 13.524 0.704 744 2HG GLN 97 1HG GLN 97 15.206 13.068 2.332 745 1HE2 GLN 97 1HE2 GLN 97 16.447 13.710 4.092 746 2HE2 GLN 97 2HE2 GLN 97 17.632 14.962 3.974 747 H MET 98 H MET 98 14.408 9.386 -0.736 748 HA MET 98 HA MET 98 13.834 9.475 -2.938 749 1HB MET 98 2HB MET 98 13.920 12.453 -2.418 750 2HB MET 98 1HB MET 98 13.158 11.685 -3.804 751 1HG MET 98 2HG MET 98 11.599 10.540 -2.312 752 2HG MET 98 1HG MET 98 12.359 11.318 -0.925 753 1HE MET 98 1HE MET 98 12.952 14.234 -2.054 754 2HE MET 98 2HE MET 98 12.268 13.928 -0.457 755 3HE MET 98 3HE MET 98 11.498 15.089 -1.539 756 H GLN 99 H GLN 99 16.663 9.383 -2.285 757 HA GLN 99 HA GLN 99 18.687 9.455 -3.315 758 1HB GLN 99 2HB GLN 99 17.006 10.018 -5.765 759 2HB GLN 99 1HB GLN 99 18.705 9.564 -5.784 760 1HG GLN 99 2HG GLN 99 18.147 7.420 -4.758 761 2HG GLN 99 1HG GLN 99 16.443 7.876 -4.739 762 1HE2 GLN 99 1HE2 GLN 99 15.296 7.950 -6.672 763 2HE2 GLN 99 2HE2 GLN 99 15.876 7.191 -8.112 764 H GLN 100 H GLN 100 17.654 11.851 -2.110 765 HA GLN 100 HA GLN 100 18.241 14.023 -1.825 766 1HB GLN 100 2HB GLN 100 20.531 13.096 -2.277 767 2HB GLN 100 1HB GLN 100 20.322 13.550 -3.962 768 1HG GLN 100 2HG GLN 100 20.097 15.891 -3.306 769 2HG GLN 100 1HG GLN 100 20.303 15.435 -1.615 770 1HE2 GLN 100 1HE2 GLN 100 21.899 17.218 -3.290 771 2HE2 GLN 100 2HE2 GLN 100 23.509 16.592 -3.255 772 H LEU 101 H LEU 101 16.040 13.973 -3.088 773 HA LEU 101 HA LEU 101 14.629 14.998 -4.547 774 1HB LEU 101 2HB LEU 101 16.895 16.986 -4.712 775 2HB LEU 101 1HB LEU 101 15.246 17.277 -5.233 776 HG LEU 101 HG LEU 101 16.075 16.702 -2.387 777 1HD1 LEU 101 1HD1 LEU 101 15.596 19.065 -1.986 778 2HD1 LEU 101 2HD1 LEU 101 15.301 19.299 -3.708 779 3HD1 LEU 101 3HD1 LEU 101 16.912 18.859 -3.141 780 1HD2 LEU 101 1HD2 LEU 101 13.429 17.556 -3.560 781 2HD2 LEU 101 2HD2 LEU 101 13.791 17.398 -1.840 782 3HD2 LEU 101 3HD2 LEU 101 13.804 15.972 -2.879 783 H GLN 102 H GLN 102 16.711 13.105 -5.635 784 HA GLN 102 HA GLN 102 17.473 14.027 -8.208 785 1HB GLN 102 2HB GLN 102 18.591 12.150 -7.059 786 2HB GLN 102 1HB GLN 102 17.134 11.186 -7.234 787 1HG GLN 102 2HG GLN 102 17.352 11.295 -9.662 788 2HG GLN 102 1HG GLN 102 18.813 12.263 -9.486 789 1HE2 GLN 102 1HE2 GLN 102 20.700 11.290 -8.745 790 2HE2 GLN 102 2HE2 GLN 102 20.904 9.574 -8.730 791 H GLN 103 H GLN 103 15.077 11.520 -7.362 792 HA GLN 103 HA GLN 103 13.156 10.843 -8.367 793 1HB GLN 103 2HB GLN 103 13.060 13.726 -9.274 794 2HB GLN 103 1HB GLN 103 11.712 12.598 -9.331 795 1HG GLN 103 2HG GLN 103 11.766 12.408 -6.898 796 2HG GLN 103 1HG GLN 103 13.119 13.534 -6.840 797 1HE2 GLN 103 1HE2 GLN 103 12.035 15.180 -9.000 798 2HE2 GLN 103 2HE2 GLN 103 10.733 16.077 -8.306 799 H ASN 104 H ASN 104 15.797 10.996 -9.910 800 HA ASN 104 HA ASN 104 14.761 11.011 -12.649 801 1HB ASN 104 2HB ASN 104 17.608 10.838 -11.637 802 2HB ASN 104 1HB ASN 104 17.133 10.921 -13.330 803 1HD2 ASN 104 1HD2 ASN 104 18.795 12.725 -11.755 804 2HD2 ASN 104 2HD2 ASN 104 18.052 14.281 -11.871 805 H VAL 105 H VAL 105 13.558 9.039 -12.332 806 HA VAL 105 HA VAL 105 15.195 6.704 -12.910 807 HB VAL 105 HB VAL 105 15.032 6.433 -10.560 808 1HG1 VAL 105 1HG1 VAL 105 13.242 8.063 -10.159 809 2HG1 VAL 105 2HG1 VAL 105 12.062 6.909 -10.779 810 3HG1 VAL 105 3HG1 VAL 105 12.959 6.547 -9.303 811 1HG2 VAL 105 1HG2 VAL 105 14.598 4.407 -11.862 812 2HG2 VAL 105 2HG2 VAL 105 13.730 4.385 -10.327 813 3HG2 VAL 105 3HG2 VAL 105 12.869 4.750 -11.823 Start of MODEL 12 1 H GLN 9 H GLN 9 -28.375 3.848 -4.425 2 HA GLN 9 HA GLN 9 -28.812 0.942 -4.242 3 1HB GLN 9 2HB GLN 9 -26.406 0.761 -5.056 4 2HB GLN 9 1HB GLN 9 -27.604 1.255 -6.242 5 1HG GLN 9 2HG GLN 9 -25.743 2.634 -6.597 6 2HG GLN 9 1HG GLN 9 -26.922 3.636 -5.754 7 1HE2 GLN 9 1HE2 GLN 9 -25.369 5.045 -4.985 8 2HE2 GLN 9 2HE2 GLN 9 -24.255 4.611 -3.737 9 H ARG 10 H ARG 10 -27.522 -0.218 -2.758 10 HA ARG 10 HA ARG 10 -26.484 1.452 -0.568 11 1HB ARG 10 2HB ARG 10 -27.489 -1.399 -0.505 12 2HB ARG 10 1HB ARG 10 -26.895 -0.499 0.883 13 1HG ARG 10 2HG ARG 10 -28.726 1.098 0.641 14 2HG ARG 10 1HG ARG 10 -29.319 0.203 -0.760 15 1HD ARG 10 2HD ARG 10 -29.075 -0.864 2.051 16 2HD ARG 10 1HD ARG 10 -30.571 -0.365 1.262 17 HE ARG 10 HE ARG 10 -29.385 -2.295 -0.351 18 1HH1 ARG 10 1HH1 ARG 10 -30.762 -2.057 2.841 19 2HH1 ARG 10 2HH1 ARG 10 -31.280 -3.710 2.880 20 1HH2 ARG 10 1HH2 ARG 10 -30.064 -4.471 -0.308 21 2HH2 ARG 10 2HH2 ARG 10 -30.883 -5.082 1.090 22 H ARG 11 H ARG 11 -25.208 0.217 -3.120 23 HA ARG 11 HA ARG 11 -23.199 -1.548 -2.043 24 1HB ARG 11 2HB ARG 11 -24.015 -1.825 -4.343 25 2HB ARG 11 1HB ARG 11 -23.402 -0.230 -4.757 26 1HG ARG 11 2HG ARG 11 -21.121 -0.993 -4.299 27 2HG ARG 11 1HG ARG 11 -21.745 -2.596 -3.905 28 1HD ARG 11 2HD ARG 11 -22.629 -2.810 -6.176 29 2HD ARG 11 1HD ARG 11 -22.012 -1.205 -6.568 30 HE ARG 11 HE ARG 11 -19.908 -2.823 -5.623 31 1HH1 ARG 11 1HH1 ARG 11 -21.989 -2.435 -8.392 32 2HH1 ARG 11 2HH1 ARG 11 -20.839 -3.089 -9.509 33 1HH2 ARG 11 1HH2 ARG 11 -18.389 -3.685 -7.088 34 2HH2 ARG 11 2HH2 ARG 11 -18.793 -3.800 -8.768 35 H ILE 12 H ILE 12 -21.173 -1.059 -1.422 36 HA ILE 12 HA ILE 12 -20.366 1.773 -1.562 37 HB ILE 12 HB ILE 12 -19.456 -0.286 0.454 38 1HG1 ILE 12 2HG1 ILE 12 -21.426 1.983 0.826 39 2HG1 ILE 12 1HG1 ILE 12 -21.878 0.291 0.648 40 1HG2 ILE 12 1HG2 ILE 12 -18.552 1.646 1.658 41 2HG2 ILE 12 2HG2 ILE 12 -19.084 2.707 0.354 42 3HG2 ILE 12 3HG2 ILE 12 -17.838 1.496 0.052 43 1HD1 ILE 12 1HD1 ILE 12 -21.911 0.964 2.973 44 2HD1 ILE 12 2HD1 ILE 12 -20.220 1.453 2.874 45 3HD1 ILE 12 3HD1 ILE 12 -20.659 -0.246 2.695 46 H ARG 13 H ARG 13 -18.139 2.245 -1.911 47 HA ARG 13 HA ARG 13 -16.115 2.042 -2.920 48 1HB ARG 13 2HB ARG 13 -15.854 0.200 -1.217 49 2HB ARG 13 1HB ARG 13 -16.367 -0.933 -2.459 50 1HG ARG 13 2HG ARG 13 -14.047 -1.063 -2.493 51 2HG ARG 13 1HG ARG 13 -14.433 -0.002 -3.849 52 1HD ARG 13 2HD ARG 13 -13.681 0.983 -1.103 53 2HD ARG 13 1HD ARG 13 -12.527 0.767 -2.417 54 HE ARG 13 HE ARG 13 -14.603 2.378 -3.353 55 1HH1 ARG 13 1HH1 ARG 13 -12.034 2.499 -1.001 56 2HH1 ARG 13 2HH1 ARG 13 -11.851 4.219 -1.100 57 1HH2 ARG 13 1HH2 ARG 13 -14.369 4.642 -3.487 58 2HH2 ARG 13 2HH2 ARG 13 -13.178 5.436 -2.512 59 H ARG 14 H ARG 14 -16.001 2.428 -5.019 60 HA ARG 14 HA ARG 14 -16.630 0.343 -6.922 61 1HB ARG 14 2HB ARG 14 -18.803 1.420 -6.621 62 2HB ARG 14 1HB ARG 14 -18.097 2.982 -7.007 63 1HG ARG 14 2HG ARG 14 -17.553 2.151 -9.261 64 2HG ARG 14 1HG ARG 14 -18.342 0.623 -8.863 65 1HD ARG 14 2HD ARG 14 -20.448 1.818 -8.486 66 2HD ARG 14 1HD ARG 14 -19.655 3.341 -8.889 67 HE ARG 14 HE ARG 14 -19.502 1.311 -10.938 68 1HH1 ARG 14 1HH1 ARG 14 -21.286 4.019 -9.662 69 2HH1 ARG 14 2HH1 ARG 14 -22.078 4.368 -11.161 70 1HH2 ARG 14 1HH2 ARG 14 -20.541 1.764 -12.917 71 2HH2 ARG 14 2HH2 ARG 14 -21.656 3.085 -13.012 72 HA PRO 15 HA PRO 15 -14.387 3.931 -9.225 73 1HB PRO 15 2HB PRO 15 -13.485 6.039 -7.767 74 2HB PRO 15 1HB PRO 15 -15.069 6.010 -8.545 75 1HG PRO 15 2HG PRO 15 -14.350 5.507 -5.690 76 2HG PRO 15 1HG PRO 15 -15.729 6.397 -6.359 77 1HD PRO 15 2HD PRO 15 -15.913 3.851 -5.426 78 2HD PRO 15 1HD PRO 15 -16.948 4.485 -6.718 79 H PHE 16 H PHE 16 -13.032 4.323 -5.935 80 HA PHE 16 HA PHE 16 -10.500 3.249 -6.966 81 1HB PHE 16 2HB PHE 16 -11.113 5.010 -4.592 82 2HB PHE 16 1HB PHE 16 -9.537 4.270 -4.853 83 HD1 PHE 16 HD1 PHE 16 -11.929 6.767 -6.070 84 HD2 PHE 16 HD2 PHE 16 -8.062 5.059 -6.569 85 HE1 PHE 16 HE1 PHE 16 -11.288 8.651 -7.516 86 HE2 PHE 16 HE2 PHE 16 -7.414 6.942 -8.016 87 HZ PHE 16 HZ PHE 16 -9.028 8.741 -8.491 88 H SER 17 H SER 17 -9.174 2.049 -5.325 89 HA SER 17 HA SER 17 -10.298 0.724 -3.128 90 1HB SER 17 2HB SER 17 -10.582 -1.548 -4.066 91 2HB SER 17 1HB SER 17 -11.718 -0.404 -4.779 92 HG SER 17 HG SER 17 -10.201 -1.960 -6.106 93 H VAL 18 H VAL 18 -8.930 -1.388 -2.673 94 HA VAL 18 HA VAL 18 -6.274 -0.629 -2.394 95 HB VAL 18 HB VAL 18 -7.275 -2.392 -1.031 96 1HG1 VAL 18 1HG1 VAL 18 -8.647 -3.465 -2.729 97 2HG1 VAL 18 2HG1 VAL 18 -7.200 -4.060 -3.544 98 3HG1 VAL 18 3HG1 VAL 18 -7.608 -4.648 -1.932 99 1HG2 VAL 18 1HG2 VAL 18 -4.850 -2.316 -1.198 100 2HG2 VAL 18 2HG2 VAL 18 -5.405 -3.982 -1.051 101 3HG2 VAL 18 3HG2 VAL 18 -4.897 -3.357 -2.620 102 H ALA 19 H ALA 19 -7.892 -2.250 -5.028 103 HA ALA 19 HA ALA 19 -5.679 -3.292 -6.393 104 1HB ALA 19 1HB ALA 19 -7.991 -3.872 -6.950 105 2HB ALA 19 2HB ALA 19 -8.256 -2.235 -7.552 106 3HB ALA 19 3HB ALA 19 -7.113 -3.300 -8.368 107 H GLU 20 H GLU 20 -7.282 -0.130 -6.667 108 HA GLU 20 HA GLU 20 -5.569 0.891 -8.671 109 1HB GLU 20 2HB GLU 20 -7.781 1.861 -8.143 110 2HB GLU 20 1HB GLU 20 -7.163 2.399 -6.586 111 1HG GLU 20 2HG GLU 20 -7.222 4.225 -8.177 112 2HG GLU 20 1HG GLU 20 -5.563 3.851 -7.713 113 H VAL 21 H VAL 21 -5.522 1.033 -5.144 114 HA VAL 21 HA VAL 21 -3.437 2.782 -4.712 115 HB VAL 21 HB VAL 21 -3.985 0.240 -3.166 116 1HG1 VAL 21 1HG1 VAL 21 -2.503 2.746 -2.371 117 2HG1 VAL 21 2HG1 VAL 21 -2.901 1.406 -1.294 118 3HG1 VAL 21 3HG1 VAL 21 -1.795 1.154 -2.645 119 1HG2 VAL 21 1HG2 VAL 21 -5.958 1.665 -3.337 120 2HG2 VAL 21 2HG2 VAL 21 -5.321 1.663 -1.693 121 3HG2 VAL 21 3HG2 VAL 21 -5.024 3.042 -2.751 122 H GLU 22 H GLU 22 -3.336 -0.595 -5.703 123 HA GLU 22 HA GLU 22 -0.667 -1.202 -5.329 124 1HB GLU 22 2HB GLU 22 -2.537 -2.689 -6.246 125 2HB GLU 22 1HB GLU 22 -2.191 -1.979 -7.816 126 1HG GLU 22 2HG GLU 22 -0.130 -3.393 -6.146 127 2HG GLU 22 1HG GLU 22 -1.117 -4.195 -7.364 128 H ALA 23 H ALA 23 -2.168 0.346 -8.162 129 HA ALA 23 HA ALA 23 0.176 0.780 -9.626 130 1HB ALA 23 1HB ALA 23 -1.080 2.219 -10.984 131 2HB ALA 23 2HB ALA 23 -2.263 1.073 -10.357 132 3HB ALA 23 3HB ALA 23 -2.144 2.686 -9.656 133 H LEU 24 H LEU 24 -1.493 2.786 -7.244 134 HA LEU 24 HA LEU 24 0.147 5.039 -7.351 135 1HB LEU 24 2HB LEU 24 -2.002 4.915 -6.134 136 2HB LEU 24 1HB LEU 24 -1.248 3.883 -4.935 137 HG LEU 24 HG LEU 24 0.281 5.738 -4.333 138 1HD1 LEU 24 1HD1 LEU 24 -0.212 7.995 -5.140 139 2HD1 LEU 24 2HD1 LEU 24 -1.422 7.336 -6.241 140 3HD1 LEU 24 3HD1 LEU 24 0.281 6.928 -6.455 141 1HD2 LEU 24 1HD2 LEU 24 -2.658 6.405 -4.197 142 2HD2 LEU 24 2HD2 LEU 24 -1.395 7.096 -3.178 143 3HD2 LEU 24 3HD2 LEU 24 -1.771 5.376 -3.071 144 H VAL 25 H VAL 25 0.621 1.925 -5.862 145 HA VAL 25 HA VAL 25 2.805 2.655 -4.189 146 HB VAL 25 HB VAL 25 1.947 -0.028 -5.283 147 1HG1 VAL 25 1HG1 VAL 25 3.455 -0.954 -3.492 148 2HG1 VAL 25 2HG1 VAL 25 4.275 -0.238 -4.880 149 3HG1 VAL 25 3HG1 VAL 25 4.162 0.656 -3.365 150 1HG2 VAL 25 1HG2 VAL 25 1.664 1.253 -2.568 151 2HG2 VAL 25 2HG2 VAL 25 0.372 0.929 -3.722 152 3HG2 VAL 25 3HG2 VAL 25 1.222 -0.410 -2.951 153 H GLN 26 H GLN 26 2.520 1.356 -7.462 154 HA GLN 26 HA GLN 26 5.289 0.993 -7.910 155 1HB GLN 26 2HB GLN 26 3.529 -0.068 -9.286 156 2HB GLN 26 1HB GLN 26 3.090 1.510 -9.924 157 1HG GLN 26 2HG GLN 26 5.308 1.723 -10.924 158 2HG GLN 26 1HG GLN 26 5.748 0.141 -10.283 159 1HE2 GLN 26 1HE2 GLN 26 3.852 1.861 -12.631 160 2HE2 GLN 26 2HE2 GLN 26 3.457 0.497 -13.612 161 H ALA 27 H ALA 27 3.268 3.759 -7.857 162 HA ALA 27 HA ALA 27 5.082 5.410 -9.408 163 1HB ALA 27 1HB ALA 27 3.475 7.194 -9.033 164 2HB ALA 27 2HB ALA 27 2.664 5.737 -9.605 165 3HB ALA 27 3HB ALA 27 2.588 6.176 -7.898 166 H VAL 28 H VAL 28 4.173 4.951 -6.024 167 HA VAL 28 HA VAL 28 5.826 7.163 -5.148 168 HB VAL 28 HB VAL 28 5.126 6.576 -2.884 169 1HG1 VAL 28 1HG1 VAL 28 3.688 8.023 -4.194 170 2HG1 VAL 28 2HG1 VAL 28 2.863 6.623 -4.878 171 3HG1 VAL 28 3HG1 VAL 28 2.715 6.981 -3.158 172 1HG2 VAL 28 1HG2 VAL 28 5.065 4.165 -3.066 173 2HG2 VAL 28 2HG2 VAL 28 3.493 4.758 -2.533 174 3HG2 VAL 28 3HG2 VAL 28 3.724 4.256 -4.208 175 H GLU 29 H GLU 29 6.273 3.802 -5.685 176 HA GLU 29 HA GLU 29 8.120 3.144 -3.706 177 1HB GLU 29 2HB GLU 29 9.011 1.493 -5.418 178 2HB GLU 29 1HB GLU 29 7.303 1.373 -5.019 179 1HG GLU 29 2HG GLU 29 6.638 2.271 -7.054 180 2HG GLU 29 1HG GLU 29 8.227 2.950 -7.387 181 H LYS 30 H LYS 30 8.465 5.484 -6.104 182 HA LYS 30 HA LYS 30 11.391 5.249 -6.110 183 1HB LYS 30 2HB LYS 30 11.305 6.930 -7.942 184 2HB LYS 30 1HB LYS 30 10.458 5.436 -8.314 185 1HG LYS 30 2HG LYS 30 8.333 6.472 -7.918 186 2HG LYS 30 1HG LYS 30 9.113 7.945 -7.342 187 1HD LYS 30 2HD LYS 30 8.377 8.304 -9.599 188 2HD LYS 30 1HD LYS 30 10.138 8.207 -9.596 189 1HE LYS 30 2HE LYS 30 10.013 5.879 -10.332 190 2HE LYS 30 1HE LYS 30 8.252 5.966 -10.322 191 1HZ LYS 30 1HZ LYS 30 9.138 6.257 -12.547 192 2HZ LYS 30 2HZ LYS 30 10.054 7.586 -12.040 193 3HZ LYS 30 3HZ LYS 30 8.365 7.672 -12.031 194 H LEU 31 H LEU 31 8.832 7.670 -5.548 195 HA LEU 31 HA LEU 31 10.804 9.241 -4.020 196 1HB LEU 31 2HB LEU 31 9.184 11.169 -4.477 197 2HB LEU 31 1HB LEU 31 10.196 10.615 -5.795 198 HG LEU 31 HG LEU 31 8.181 9.209 -6.528 199 1HD1 LEU 31 1HD1 LEU 31 6.870 9.359 -4.503 200 2HD1 LEU 31 2HD1 LEU 31 5.996 10.102 -5.842 201 3HD1 LEU 31 3HD1 LEU 31 6.804 11.116 -4.645 202 1HD2 LEU 31 1HD2 LEU 31 7.193 11.103 -7.716 203 2HD2 LEU 31 2HD2 LEU 31 8.955 11.180 -7.726 204 3HD2 LEU 31 3HD2 LEU 31 8.032 12.217 -6.638 205 H GLY 32 H GLY 32 9.219 7.047 -2.988 206 1HA GLY 32 1HA GLY 32 6.997 8.065 -1.520 207 2HA GLY 32 2HA GLY 32 7.801 6.527 -1.250 208 H THR 33 H THR 33 7.033 7.536 0.972 209 HA THR 33 HA THR 33 9.474 8.348 2.298 210 HB THR 33 HB THR 33 7.012 10.092 2.516 211 HG1 THR 33 HG1 THR 33 7.967 10.759 0.680 212 1HG2 THR 33 1HG2 THR 33 9.744 10.344 3.783 213 2HG2 THR 33 2HG2 THR 33 8.246 9.931 4.619 214 3HG2 THR 33 3HG2 THR 33 8.444 11.531 3.902 215 H GLY 34 H GLY 34 6.005 7.698 2.560 216 1HA GLY 34 1HA GLY 34 6.391 5.742 4.584 217 2HA GLY 34 2HA GLY 34 5.812 7.243 5.289 218 H ARG 35 H ARG 35 4.829 6.470 2.075 219 HA ARG 35 HA ARG 35 2.753 6.232 1.176 220 1HB ARG 35 2HB ARG 35 1.720 4.136 1.629 221 2HB ARG 35 1HB ARG 35 3.454 3.899 1.779 222 1HG ARG 35 2HG ARG 35 3.335 3.784 4.130 223 2HG ARG 35 1HG ARG 35 1.685 4.408 4.152 224 1HD ARG 35 2HD ARG 35 2.580 1.747 3.054 225 2HD ARG 35 1HD ARG 35 1.697 2.013 4.555 226 HE ARG 35 HE ARG 35 0.509 2.825 1.996 227 1HH1 ARG 35 1HH1 ARG 35 0.464 0.840 4.862 228 2HH1 ARG 35 2HH1 ARG 35 -1.150 0.273 4.597 229 1HH2 ARG 35 1HH2 ARG 35 -1.617 2.084 1.643 230 2HH2 ARG 35 2HH2 ARG 35 -2.333 0.979 2.769 231 H TRP 36 H TRP 36 2.926 8.077 3.492 232 HA TRP 36 HA TRP 36 0.771 7.898 5.222 233 1HB TRP 36 2HB TRP 36 1.792 10.457 3.974 234 2HB TRP 36 1HB TRP 36 0.975 10.285 5.524 235 HD1 TRP 36 HD1 TRP 36 4.374 9.927 3.875 236 HE1 TRP 36 HE1 TRP 36 6.153 9.525 5.691 237 HE3 TRP 36 HE3 TRP 36 1.290 9.220 7.892 238 HZ2 TRP 36 HZ2 TRP 36 6.239 8.980 8.460 239 HZ3 TRP 36 HZ3 TRP 36 2.302 8.763 10.088 240 HH2 TRP 36 HH2 TRP 36 4.725 8.646 10.364 241 H ARG 37 H ARG 37 0.906 9.237 1.950 242 HA ARG 37 HA ARG 37 -1.819 10.083 1.919 243 1HB ARG 37 2HB ARG 37 -1.450 10.348 -0.526 244 2HB ARG 37 1HB ARG 37 -0.230 11.151 0.453 245 1HG ARG 37 2HG ARG 37 1.274 9.221 0.081 246 2HG ARG 37 1HG ARG 37 0.059 8.530 -0.999 247 1HD ARG 37 2HD ARG 37 1.430 11.194 -1.351 248 2HD ARG 37 1HD ARG 37 1.804 9.718 -2.239 249 HE ARG 37 HE ARG 37 -0.908 10.249 -2.584 250 1HH1 ARG 37 1HH1 ARG 37 2.164 11.678 -3.399 251 2HH1 ARG 37 2HH1 ARG 37 1.575 12.435 -4.840 252 1HH2 ARG 37 1HH2 ARG 37 -1.691 11.242 -4.481 253 2HH2 ARG 37 2HH2 ARG 37 -0.617 12.189 -5.456 254 H ASP 38 H ASP 38 -0.145 7.130 1.108 255 HA ASP 38 HA ASP 38 -2.220 5.939 -0.414 256 1HB ASP 38 2HB ASP 38 0.009 4.641 1.170 257 2HB ASP 38 1HB ASP 38 -1.003 3.823 -0.014 258 H VAL 39 H VAL 39 -1.169 5.337 2.935 259 HA VAL 39 HA VAL 39 -3.274 3.665 3.667 260 HB VAL 39 HB VAL 39 -1.265 3.909 5.032 261 1HG1 VAL 39 1HG1 VAL 39 -2.318 6.663 5.663 262 2HG1 VAL 39 2HG1 VAL 39 -0.946 5.889 6.453 263 3HG1 VAL 39 3HG1 VAL 39 -0.868 6.283 4.736 264 1HG2 VAL 39 1HG2 VAL 39 -3.225 3.040 6.132 265 2HG2 VAL 39 2HG2 VAL 39 -2.344 4.073 7.255 266 3HG2 VAL 39 3HG2 VAL 39 -3.804 4.671 6.468 267 H LYS 40 H LYS 40 -3.077 7.153 3.484 268 HA LYS 40 HA LYS 40 -5.354 7.778 5.015 269 1HB LYS 40 2HB LYS 40 -3.722 9.192 2.965 270 2HB LYS 40 1HB LYS 40 -5.303 9.854 3.353 271 1HG LYS 40 2HG LYS 40 -3.190 9.265 5.411 272 2HG LYS 40 1HG LYS 40 -3.405 10.836 4.637 273 1HD LYS 40 2HD LYS 40 -5.733 10.886 5.478 274 2HD LYS 40 1HD LYS 40 -5.431 9.366 6.323 275 1HE LYS 40 2HE LYS 40 -3.663 10.441 7.624 276 2HE LYS 40 1HE LYS 40 -3.952 11.958 6.771 277 1HZ LYS 40 1HZ LYS 40 -5.040 11.934 8.925 278 2HZ LYS 40 2HZ LYS 40 -5.911 10.547 8.502 279 3HZ LYS 40 3HZ LYS 40 -6.189 12.000 7.683 280 H LEU 41 H LEU 41 -4.978 7.366 1.488 281 HA LEU 41 HA LEU 41 -7.913 7.187 1.307 282 1HB LEU 41 2HB LEU 41 -6.696 9.082 0.109 283 2HB LEU 41 1HB LEU 41 -6.059 7.855 -0.968 284 HG LEU 41 HG LEU 41 -8.396 7.246 -1.583 285 1HD1 LEU 41 1HD1 LEU 41 -10.198 8.796 -1.011 286 2HD1 LEU 41 2HD1 LEU 41 -9.095 9.696 0.030 287 3HD1 LEU 41 3HD1 LEU 41 -9.523 8.030 0.427 288 1HD2 LEU 41 1HD2 LEU 41 -7.083 8.749 -2.981 289 2HD2 LEU 41 2HD2 LEU 41 -7.626 10.128 -2.025 290 3HD2 LEU 41 3HD2 LEU 41 -8.785 9.210 -2.986 291 H CYS 42 H CYS 42 -5.962 4.998 1.890 292 HA CYS 42 HA CYS 42 -5.482 3.360 -0.297 293 1HB CYS 42 2HB CYS 42 -4.613 2.879 1.949 294 2HB CYS 42 1HB CYS 42 -6.243 2.530 2.514 295 HG CYS 42 HG CYS 42 -6.567 0.201 1.139 296 H ALA 43 H ALA 43 -8.342 3.610 1.738 297 HA ALA 43 HA ALA 43 -10.246 3.182 -0.229 298 1HB ALA 43 1HB ALA 43 -10.950 0.851 0.229 299 2HB ALA 43 2HB ALA 43 -9.356 0.951 -0.520 300 3HB ALA 43 3HB ALA 43 -9.501 0.637 1.211 301 H PHE 44 H PHE 44 -9.674 4.550 2.333 302 HA PHE 44 HA PHE 44 -10.788 5.348 4.128 303 1HB PHE 44 2HB PHE 44 -13.136 3.796 3.002 304 2HB PHE 44 1HB PHE 44 -13.218 5.010 4.270 305 HD1 PHE 44 HD1 PHE 44 -12.935 4.409 0.703 306 HD2 PHE 44 HD2 PHE 44 -12.880 7.377 3.752 307 HE1 PHE 44 HE1 PHE 44 -13.253 6.158 -0.999 308 HE2 PHE 44 HE2 PHE 44 -13.196 9.131 2.056 309 HZ PHE 44 HZ PHE 44 -13.385 8.522 -0.323 310 H GLU 45 H GLU 45 -9.573 2.592 3.741 311 HA GLU 45 HA GLU 45 -10.853 1.033 5.791 312 1HB GLU 45 2HB GLU 45 -8.391 0.531 4.121 313 2HB GLU 45 1HB GLU 45 -9.009 -0.601 5.315 314 1HG GLU 45 2HG GLU 45 -10.492 0.360 2.878 315 2HG GLU 45 1HG GLU 45 -9.678 -1.194 3.044 316 H ASP 46 H ASP 46 -7.634 2.477 5.298 317 HA ASP 46 HA ASP 46 -7.266 2.399 8.223 318 1HB ASP 46 2HB ASP 46 -5.178 2.375 6.034 319 2HB ASP 46 1HB ASP 46 -4.828 2.451 7.760 320 H ALA 47 H ALA 47 -8.614 4.456 6.583 321 HA ALA 47 HA ALA 47 -6.975 6.729 6.298 322 1HB ALA 47 1HB ALA 47 -9.052 7.991 6.151 323 2HB ALA 47 2HB ALA 47 -9.155 6.504 5.210 324 3HB ALA 47 3HB ALA 47 -9.950 6.609 6.781 325 H ASP 48 H ASP 48 -7.766 5.125 9.080 326 HA ASP 48 HA ASP 48 -7.825 7.547 10.735 327 1HB ASP 48 2HB ASP 48 -8.349 4.659 11.482 328 2HB ASP 48 1HB ASP 48 -8.474 6.034 12.576 329 H HIS 49 H HIS 49 -5.774 5.061 9.666 330 HA HIS 49 HA HIS 49 -3.610 4.521 10.081 331 1HB HIS 49 2HB HIS 49 -3.627 7.156 11.560 332 2HB HIS 49 1HB HIS 49 -2.181 6.221 11.199 333 HD1 HIS 49 HD1 HIS 49 -1.066 7.811 9.612 334 HD2 HIS 49 HD2 HIS 49 -4.994 6.980 8.544 335 HE1 HIS 49 HE1 HIS 49 -1.377 8.841 7.340 336 HE2 HIS 49 HE2 HIS 49 -3.721 8.215 6.663 337 H ARG 50 H ARG 50 -3.540 2.737 11.299 338 HA ARG 50 HA ARG 50 -4.332 2.739 14.063 339 1HB ARG 50 2HB ARG 50 -4.731 0.784 12.635 340 2HB ARG 50 1HB ARG 50 -2.999 0.587 12.409 341 1HG ARG 50 2HG ARG 50 -3.697 -1.005 14.021 342 2HG ARG 50 1HG ARG 50 -2.794 0.245 14.876 343 1HD ARG 50 2HD ARG 50 -5.796 0.254 14.660 344 2HD ARG 50 1HD ARG 50 -4.938 -0.553 15.970 345 HE ARG 50 HE ARG 50 -4.009 2.076 15.818 346 1HH1 ARG 50 1HH1 ARG 50 -6.939 0.356 16.590 347 2HH1 ARG 50 2HH1 ARG 50 -7.512 1.565 17.689 348 1HH2 ARG 50 1HH2 ARG 50 -4.755 3.673 17.264 349 2HH2 ARG 50 2HH2 ARG 50 -6.272 3.452 18.071 350 H THR 51 H THR 51 -1.331 1.318 12.813 351 HA THR 51 HA THR 51 0.267 3.033 14.548 352 HB THR 51 HB THR 51 1.450 1.120 15.569 353 HG1 THR 51 HG1 THR 51 0.163 -0.936 15.432 354 1HG2 THR 51 1HG2 THR 51 -0.296 0.475 17.166 355 2HG2 THR 51 2HG2 THR 51 -1.528 1.114 16.079 356 3HG2 THR 51 3HG2 THR 51 -0.353 2.201 16.817 357 H TYR 52 H TYR 52 2.680 2.272 14.329 358 HA TYR 52 HA TYR 52 3.408 2.612 11.660 359 1HB TYR 52 2HB TYR 52 5.686 2.309 12.355 360 2HB TYR 52 1HB TYR 52 4.832 3.219 13.590 361 HD1 TYR 52 HD1 TYR 52 3.575 1.165 15.249 362 HD2 TYR 52 HD2 TYR 52 7.382 1.143 13.348 363 HE1 TYR 52 HE1 TYR 52 4.414 -0.375 16.965 364 HE2 TYR 52 HE2 TYR 52 8.227 -0.409 15.056 365 HH TYR 52 HH TYR 52 7.724 -1.079 17.347 366 H VAL 53 H VAL 53 3.389 -0.384 13.606 367 HA VAL 53 HA VAL 53 4.323 -1.966 11.402 368 HB VAL 53 HB VAL 53 3.086 -2.825 14.022 369 1HG1 VAL 53 1HG1 VAL 53 4.387 -4.446 11.835 370 2HG1 VAL 53 2HG1 VAL 53 4.054 -5.053 13.457 371 3HG1 VAL 53 3HG1 VAL 53 2.722 -4.565 12.409 372 1HG2 VAL 53 1HG2 VAL 53 5.299 -1.637 14.088 373 2HG2 VAL 53 2HG2 VAL 53 5.308 -3.272 14.749 374 3HG2 VAL 53 3HG2 VAL 53 5.962 -2.967 13.140 375 H ASP 54 H ASP 54 1.168 -1.533 13.003 376 HA ASP 54 HA ASP 54 -0.319 -3.334 11.506 377 1HB ASP 54 2HB ASP 54 -1.037 -0.724 12.816 378 2HB ASP 54 1HB ASP 54 -2.240 -1.643 11.915 379 H LEU 55 H LEU 55 0.345 0.082 10.816 380 HA LEU 55 HA LEU 55 -1.033 0.208 8.371 381 1HB LEU 55 2HB LEU 55 -0.407 2.237 9.470 382 2HB LEU 55 1HB LEU 55 1.284 1.787 9.482 383 HG LEU 55 HG LEU 55 -0.056 2.124 6.838 384 1HD1 LEU 55 1HD1 LEU 55 0.330 4.516 6.864 385 2HD1 LEU 55 2HD1 LEU 55 0.894 4.429 8.534 386 3HD1 LEU 55 3HD1 LEU 55 -0.790 4.068 8.152 387 1HD2 LEU 55 1HD2 LEU 55 2.245 1.375 6.891 388 2HD2 LEU 55 2HD2 LEU 55 2.695 2.736 7.916 389 3HD2 LEU 55 3HD2 LEU 55 2.173 3.017 6.254 390 H LYS 56 H LYS 56 2.274 -0.669 9.210 391 HA LYS 56 HA LYS 56 3.204 -0.941 6.544 392 1HB LYS 56 2HB LYS 56 4.647 -0.652 8.585 393 2HB LYS 56 1HB LYS 56 4.288 -2.321 9.001 394 1HG LYS 56 2HG LYS 56 6.440 -2.163 7.911 395 2HG LYS 56 1HG LYS 56 5.305 -3.062 6.904 396 1HD LYS 56 2HD LYS 56 6.611 -1.520 5.550 397 2HD LYS 56 1HD LYS 56 4.912 -1.044 5.560 398 1HE LYS 56 2HE LYS 56 5.401 0.651 7.254 399 2HE LYS 56 1HE LYS 56 7.096 0.164 7.259 400 1HZ LYS 56 1HZ LYS 56 7.257 0.831 4.943 401 2HZ LYS 56 2HZ LYS 56 6.741 2.127 5.900 402 3HZ LYS 56 3HZ LYS 56 5.630 1.295 4.936 403 H ASP 57 H ASP 57 1.295 -2.926 8.599 404 HA ASP 57 HA ASP 57 1.872 -5.409 7.311 405 1HB ASP 57 2HB ASP 57 -0.380 -4.561 9.140 406 2HB ASP 57 1HB ASP 57 -0.190 -6.200 8.523 407 H LYS 58 H LYS 58 -0.733 -3.018 7.125 408 HA LYS 58 HA LYS 58 -2.276 -4.384 5.195 409 1HB LYS 58 2HB LYS 58 -3.156 -2.542 6.586 410 2HB LYS 58 1HB LYS 58 -2.112 -1.411 5.737 411 1HG LYS 58 2HG LYS 58 -4.336 -1.237 4.864 412 2HG LYS 58 1HG LYS 58 -3.294 -1.952 3.637 413 1HD LYS 58 2HD LYS 58 -5.206 -3.272 3.542 414 2HD LYS 58 1HD LYS 58 -4.124 -4.212 4.568 415 1HE LYS 58 2HE LYS 58 -6.245 -2.335 5.603 416 2HE LYS 58 1HE LYS 58 -6.474 -4.071 5.398 417 1HZ LYS 58 1HZ LYS 58 -5.905 -3.656 7.654 418 2HZ LYS 58 2HZ LYS 58 -4.564 -2.721 7.221 419 3HZ LYS 58 3HZ LYS 58 -4.561 -4.386 6.929 420 H TRP 59 H TRP 59 0.515 -2.321 5.010 421 HA TRP 59 HA TRP 59 0.338 -1.861 2.176 422 1HB TRP 59 2HB TRP 59 1.475 -0.145 3.212 423 2HB TRP 59 1HB TRP 59 2.253 -1.210 4.370 424 HD1 TRP 59 HD1 TRP 59 4.498 -2.459 3.563 425 HE1 TRP 59 HE1 TRP 59 6.222 -1.827 1.755 426 HE3 TRP 59 HE3 TRP 59 1.705 0.910 0.922 427 HZ2 TRP 59 HZ2 TRP 59 6.372 -0.131 -0.496 428 HZ3 TRP 59 HZ3 TRP 59 2.712 1.993 -1.044 429 HH2 TRP 59 HH2 TRP 59 4.996 1.483 -1.736 430 H LYS 60 H LYS 60 2.394 -3.822 4.299 431 HA LYS 60 HA LYS 60 3.934 -5.079 2.357 432 1HB LYS 60 2HB LYS 60 4.749 -5.472 4.467 433 2HB LYS 60 1HB LYS 60 3.150 -5.693 5.160 434 1HG LYS 60 2HG LYS 60 4.110 -7.758 3.264 435 2HG LYS 60 1HG LYS 60 4.865 -7.690 4.857 436 1HD LYS 60 2HD LYS 60 2.708 -7.916 5.932 437 2HD LYS 60 1HD LYS 60 1.891 -7.858 4.367 438 1HE LYS 60 2HE LYS 60 2.994 -9.931 3.707 439 2HE LYS 60 1HE LYS 60 3.840 -9.981 5.251 440 1HZ LYS 60 1HZ LYS 60 1.909 -11.429 5.256 441 2HZ LYS 60 2HZ LYS 60 0.896 -10.124 4.890 442 3HZ LYS 60 3HZ LYS 60 1.708 -10.173 6.373 443 H THR 61 H THR 61 0.701 -5.770 3.493 444 HA THR 61 HA THR 61 0.515 -8.259 2.014 445 HB THR 61 HB THR 61 -1.674 -6.710 3.423 446 HG1 THR 61 HG1 THR 61 -0.183 -8.960 4.343 447 1HG2 THR 61 1HG2 THR 61 -2.874 -8.855 3.402 448 2HG2 THR 61 2HG2 THR 61 -1.558 -9.577 2.474 449 3HG2 THR 61 3HG2 THR 61 -2.531 -8.289 1.767 450 H LEU 62 H LEU 62 -0.202 -4.917 1.625 451 HA LEU 62 HA LEU 62 -2.089 -5.057 -0.455 452 1HB LEU 62 2HB LEU 62 -2.023 -2.964 0.425 453 2HB LEU 62 1HB LEU 62 -0.302 -3.031 0.736 454 HG LEU 62 HG LEU 62 0.016 -2.701 -1.773 455 1HD1 LEU 62 1HD1 LEU 62 -1.833 -1.622 -2.945 456 2HD1 LEU 62 2HD1 LEU 62 -2.878 -1.883 -1.549 457 3HD1 LEU 62 3HD1 LEU 62 -2.258 -3.263 -2.458 458 1HD2 LEU 62 1HD2 LEU 62 -0.243 -0.287 -1.557 459 2HD2 LEU 62 2HD2 LEU 62 0.438 -0.988 -0.088 460 3HD2 LEU 62 3HD2 LEU 62 -1.260 -0.517 -0.135 461 H VAL 63 H VAL 63 1.393 -5.269 -0.372 462 HA VAL 63 HA VAL 63 1.595 -5.209 -3.276 463 HB VAL 63 HB VAL 63 4.041 -5.538 -2.881 464 1HG1 VAL 63 1HG1 VAL 63 4.435 -3.285 -2.000 465 2HG1 VAL 63 2HG1 VAL 63 3.111 -3.310 -3.164 466 3HG1 VAL 63 3HG1 VAL 63 2.765 -3.220 -1.436 467 1HG2 VAL 63 1HG2 VAL 63 3.246 -5.299 0.019 468 2HG2 VAL 63 2HG2 VAL 63 3.954 -6.713 -0.761 469 3HG2 VAL 63 3HG2 VAL 63 4.897 -5.233 -0.593 470 H HIS 64 H HIS 64 2.137 -7.461 -0.589 471 HA HIS 64 HA HIS 64 2.999 -9.679 -2.019 472 1HB HIS 64 2HB HIS 64 3.154 -9.861 0.308 473 2HB HIS 64 1HB HIS 64 1.494 -9.334 0.556 474 HD1 HIS 64 HD1 HIS 64 3.510 -12.362 -0.399 475 HD2 HIS 64 HD2 HIS 64 -0.401 -11.354 0.576 476 HE1 HIS 64 HE1 HIS 64 2.314 -14.548 -0.071 477 HE2 HIS 64 HE2 HIS 64 -0.073 -13.914 0.426 478 H THR 65 H THR 65 -0.215 -8.398 -1.554 479 HA THR 65 HA THR 65 -1.566 -10.680 -2.661 480 HB THR 65 HB THR 65 -2.582 -9.079 -0.990 481 HG1 THR 65 HG1 THR 65 -3.948 -9.592 -3.443 482 1HG2 THR 65 1HG2 THR 65 -3.615 -7.041 -1.849 483 2HG2 THR 65 2HG2 THR 65 -2.905 -7.336 -3.436 484 3HG2 THR 65 3HG2 THR 65 -1.865 -6.986 -2.056 485 H ALA 66 H ALA 66 -0.106 -7.818 -3.923 486 HA ALA 66 HA ALA 66 -1.587 -7.482 -6.280 487 1HB ALA 66 1HB ALA 66 -0.013 -5.811 -5.426 488 2HB ALA 66 2HB ALA 66 1.332 -6.879 -5.829 489 3HB ALA 66 3HB ALA 66 0.314 -6.220 -7.110 490 H LYS 67 H LYS 67 1.775 -8.558 -6.444 491 HA LYS 67 HA LYS 67 1.137 -11.036 -7.723 492 1HB LYS 67 2HB LYS 67 2.143 -10.471 -9.915 493 2HB LYS 67 1HB LYS 67 0.660 -9.581 -9.599 494 1HG LYS 67 2HG LYS 67 1.971 -7.617 -8.969 495 2HG LYS 67 1HG LYS 67 3.459 -8.512 -9.289 496 1HD LYS 67 2HD LYS 67 2.795 -8.776 -11.630 497 2HD LYS 67 1HD LYS 67 1.305 -7.886 -11.309 498 1HE LYS 67 2HE LYS 67 2.979 -6.447 -12.343 499 2HE LYS 67 1HE LYS 67 2.609 -5.912 -10.703 500 1HZ LYS 67 1HZ LYS 67 4.984 -5.868 -11.131 501 2HZ LYS 67 2HZ LYS 67 4.976 -7.518 -11.505 502 3HZ LYS 67 3HZ LYS 67 4.623 -7.007 -9.932 503 H ILE 68 H ILE 68 2.721 -10.208 -5.505 504 HA ILE 68 HA ILE 68 5.466 -10.037 -6.100 505 HB ILE 68 HB ILE 68 3.998 -10.961 -3.633 506 1HG1 ILE 68 2HG1 ILE 68 3.818 -8.581 -4.215 507 2HG1 ILE 68 1HG1 ILE 68 4.727 -8.810 -2.727 508 1HG2 ILE 68 1HG2 ILE 68 6.973 -10.615 -3.995 509 2HG2 ILE 68 2HG2 ILE 68 6.118 -12.111 -3.614 510 3HG2 ILE 68 3HG2 ILE 68 6.159 -10.796 -2.440 511 1HD1 ILE 68 1HD1 ILE 68 5.736 -7.101 -4.114 512 2HD1 ILE 68 2HD1 ILE 68 5.888 -8.247 -5.446 513 3HD1 ILE 68 3HD1 ILE 68 6.812 -8.489 -3.963 514 H SER 69 H SER 69 3.269 -12.694 -6.089 515 HA SER 69 HA SER 69 3.497 -14.918 -6.500 516 1HB SER 69 2HB SER 69 6.087 -14.015 -7.782 517 2HB SER 69 1HB SER 69 5.327 -15.588 -8.020 518 HG SER 69 HG SER 69 4.580 -13.080 -8.982 519 HA PRO 70 HA PRO 70 6.333 -15.531 -2.896 520 1HB PRO 70 2HB PRO 70 4.524 -16.570 -1.201 521 2HB PRO 70 1HB PRO 70 4.691 -14.826 -1.435 522 1HG PRO 70 2HG PRO 70 2.666 -16.705 -2.577 523 2HG PRO 70 1HG PRO 70 2.441 -15.067 -1.939 524 1HD PRO 70 2HD PRO 70 2.624 -15.664 -4.611 525 2HD PRO 70 1HD PRO 70 3.034 -14.085 -3.912 526 H GLN 71 H GLN 71 3.938 -17.618 -4.410 527 HA GLN 71 HA GLN 71 5.145 -20.047 -3.422 528 1HB GLN 71 2HB GLN 71 3.054 -19.666 -5.574 529 2HB GLN 71 1HB GLN 71 3.483 -21.188 -4.804 530 1HG GLN 71 2HG GLN 71 2.653 -20.382 -2.680 531 2HG GLN 71 1HG GLN 71 2.300 -18.809 -3.391 532 1HE2 GLN 71 1HE2 GLN 71 0.556 -18.597 -4.796 533 2HE2 GLN 71 2HE2 GLN 71 -0.696 -19.784 -4.890 534 H GLN 72 H GLN 72 4.859 -18.425 -6.565 535 HA GLN 72 HA GLN 72 6.177 -18.416 -8.410 536 1HB GLN 72 2HB GLN 72 8.170 -19.891 -6.682 537 2HB GLN 72 1HB GLN 72 8.507 -19.182 -8.255 538 1HG GLN 72 2HG GLN 72 8.004 -16.964 -7.365 539 2HG GLN 72 1HG GLN 72 7.671 -17.677 -5.786 540 1HE2 GLN 72 1HE2 GLN 72 9.375 -18.465 -4.548 541 2HE2 GLN 72 2HE2 GLN 72 11.018 -18.042 -4.873 542 H ARG 73 H ARG 73 5.345 -21.339 -6.831 543 HA ARG 73 HA ARG 73 5.160 -22.686 -9.398 544 1HB ARG 73 2HB ARG 73 6.759 -23.797 -7.086 545 2HB ARG 73 1HB ARG 73 6.232 -24.756 -8.462 546 1HG ARG 73 2HG ARG 73 7.529 -23.318 -9.957 547 2HG ARG 73 1HG ARG 73 8.069 -22.373 -8.569 548 1HD ARG 73 2HD ARG 73 8.591 -25.309 -9.024 549 2HD ARG 73 1HD ARG 73 9.756 -24.006 -9.256 550 HE ARG 73 HE ARG 73 8.773 -23.882 -6.633 551 1HH1 ARG 73 1HH1 ARG 73 10.764 -25.917 -8.644 552 2HH1 ARG 73 2HH1 ARG 73 11.715 -26.510 -7.323 553 1HH2 ARG 73 1HH2 ARG 73 10.021 -24.657 -4.890 554 2HH2 ARG 73 2HH2 ARG 73 11.292 -25.795 -5.189 555 H ARG 74 H ARG 74 5.100 -23.986 -6.099 556 HA ARG 74 HA ARG 74 2.186 -24.202 -6.226 557 1HB ARG 74 2HB ARG 74 4.048 -26.530 -5.724 558 2HB ARG 74 1HB ARG 74 2.309 -26.573 -5.472 559 1HG ARG 74 2HG ARG 74 3.630 -26.016 -8.119 560 2HG ARG 74 1HG ARG 74 3.040 -27.596 -7.603 561 1HD ARG 74 2HD ARG 74 1.376 -25.099 -7.918 562 2HD ARG 74 1HD ARG 74 1.420 -26.460 -9.039 563 HE ARG 74 HE ARG 74 0.744 -27.386 -6.470 564 1HH1 ARG 74 1HH1 ARG 74 -0.582 -25.518 -9.095 565 2HH1 ARG 74 2HH1 ARG 74 -2.223 -25.929 -8.728 566 1HH2 ARG 74 1HH2 ARG 74 -1.413 -27.934 -5.980 567 2HH2 ARG 74 2HH2 ARG 74 -2.697 -27.302 -6.958 568 H GLY 75 H GLY 75 4.821 -25.420 -4.145 569 1HA GLY 75 1HA GLY 75 3.401 -24.253 -1.842 570 2HA GLY 75 2HA GLY 75 4.524 -25.601 -1.760 571 H GLU 76 H GLU 76 4.970 -23.735 0.033 572 HA GLU 76 HA GLU 76 7.553 -22.729 -0.672 573 1HB GLU 76 2HB GLU 76 7.100 -20.358 -0.298 574 2HB GLU 76 1HB GLU 76 6.150 -20.962 -1.650 575 1HG GLU 76 2HG GLU 76 4.180 -21.087 -0.250 576 2HG GLU 76 1HG GLU 76 5.120 -20.577 1.152 577 HA PRO 77 HA PRO 77 8.059 -23.197 3.694 578 1HB PRO 77 2HB PRO 77 10.115 -21.500 4.199 579 2HB PRO 77 1HB PRO 77 10.326 -23.035 3.357 580 1HG PRO 77 2HG PRO 77 10.124 -20.274 2.234 581 2HG PRO 77 1HG PRO 77 11.203 -21.599 1.762 582 1HD PRO 77 2HD PRO 77 8.950 -20.955 0.381 583 2HD PRO 77 1HD PRO 77 9.599 -22.605 0.457 584 H VAL 78 H VAL 78 9.141 -19.875 3.614 585 HA VAL 78 HA VAL 78 6.680 -19.016 4.975 586 HB VAL 78 HB VAL 78 8.056 -17.617 6.504 587 1HG1 VAL 78 1HG1 VAL 78 8.737 -19.450 7.985 588 2HG1 VAL 78 2HG1 VAL 78 7.156 -19.746 7.262 589 3HG1 VAL 78 3HG1 VAL 78 8.578 -20.585 6.644 590 1HG2 VAL 78 1HG2 VAL 78 10.090 -17.486 5.176 591 2HG2 VAL 78 2HG2 VAL 78 10.438 -18.145 6.772 592 3HG2 VAL 78 3HG2 VAL 78 10.351 -19.219 5.376 593 HA PRO 79 HA PRO 79 7.051 -15.702 2.023 594 1HB PRO 79 2HB PRO 79 5.026 -14.151 2.857 595 2HB PRO 79 1HB PRO 79 4.740 -15.711 2.075 596 1HG PRO 79 2HG PRO 79 4.680 -15.007 4.984 597 2HG PRO 79 1HG PRO 79 3.576 -16.041 4.059 598 1HD PRO 79 2HD PRO 79 5.615 -16.993 5.628 599 2HD PRO 79 1HD PRO 79 4.950 -17.864 4.233 600 H GLN 80 H GLN 80 9.166 -15.199 3.170 601 HA GLN 80 HA GLN 80 9.008 -12.871 4.935 602 1HB GLN 80 2HB GLN 80 11.288 -14.670 4.118 603 2HB GLN 80 1HB GLN 80 11.516 -13.210 5.068 604 1HG GLN 80 2HG GLN 80 10.069 -14.115 6.814 605 2HG GLN 80 1HG GLN 80 9.835 -15.577 5.859 606 1HE2 GLN 80 1HE2 GLN 80 12.605 -15.590 4.927 607 2HE2 GLN 80 2HE2 GLN 80 13.555 -16.130 6.265 608 H GLU 81 H GLU 81 9.784 -13.780 1.704 609 HA GLU 81 HA GLU 81 11.454 -11.771 0.834 610 1HB GLU 81 2HB GLU 81 9.210 -13.201 -0.577 611 2HB GLU 81 1HB GLU 81 10.281 -12.079 -1.399 612 1HG GLU 81 2HG GLU 81 12.200 -13.469 -0.806 613 2HG GLU 81 1HG GLU 81 11.124 -14.594 0.022 614 H LEU 82 H LEU 82 7.979 -11.627 1.388 615 HA LEU 82 HA LEU 82 7.509 -9.180 0.094 616 1HB LEU 82 2HB LEU 82 5.757 -9.497 2.302 617 2HB LEU 82 1HB LEU 82 5.400 -9.670 0.602 618 HG LEU 82 HG LEU 82 6.503 -11.897 2.317 619 1HD1 LEU 82 1HD1 LEU 82 3.669 -11.122 1.709 620 2HD1 LEU 82 2HD1 LEU 82 4.419 -11.386 3.283 621 3HD1 LEU 82 3HD1 LEU 82 4.130 -12.750 2.202 622 1HD2 LEU 82 1HD2 LEU 82 5.682 -13.319 0.499 623 2HD2 LEU 82 2HD2 LEU 82 6.875 -12.157 -0.084 624 3HD2 LEU 82 3HD2 LEU 82 5.158 -11.886 -0.385 625 H LEU 83 H LEU 83 7.774 -9.876 3.585 626 HA LEU 83 HA LEU 83 7.822 -7.204 4.417 627 1HB LEU 83 2HB LEU 83 8.707 -9.781 5.654 628 2HB LEU 83 1HB LEU 83 9.087 -8.264 6.446 629 HG LEU 83 HG LEU 83 6.290 -9.145 5.731 630 1HD1 LEU 83 1HD1 LEU 83 7.225 -10.640 7.395 631 2HD1 LEU 83 2HD1 LEU 83 6.021 -9.580 8.130 632 3HD1 LEU 83 3HD1 LEU 83 7.740 -9.263 8.370 633 1HD2 LEU 83 1HD2 LEU 83 6.534 -6.734 5.874 634 2HD2 LEU 83 2HD2 LEU 83 7.323 -6.887 7.444 635 3HD2 LEU 83 3HD2 LEU 83 5.629 -7.341 7.259 636 H ASN 84 H ASN 84 10.289 -9.208 3.063 637 HA ASN 84 HA ASN 84 12.542 -7.763 4.007 638 1HB ASN 84 2HB ASN 84 12.733 -10.048 3.119 639 2HB ASN 84 1HB ASN 84 12.249 -9.473 1.525 640 1HD2 ASN 84 1HD2 ASN 84 14.771 -9.542 3.911 641 2HD2 ASN 84 2HD2 ASN 84 16.040 -8.983 2.880 642 H ARG 85 H ARG 85 10.774 -7.703 0.921 643 HA ARG 85 HA ARG 85 12.275 -5.478 -0.081 644 1HB ARG 85 2HB ARG 85 10.683 -5.504 -1.945 645 2HB ARG 85 1HB ARG 85 11.305 -7.114 -1.613 646 1HG ARG 85 2HG ARG 85 9.235 -7.630 -0.381 647 2HG ARG 85 1HG ARG 85 8.611 -6.035 -0.807 648 1HD ARG 85 2HD ARG 85 9.374 -8.236 -2.724 649 2HD ARG 85 1HD ARG 85 7.737 -7.717 -2.323 650 HE ARG 85 HE ARG 85 8.776 -5.450 -3.245 651 1HH1 ARG 85 1HH1 ARG 85 8.942 -8.695 -4.509 652 2HH1 ARG 85 2HH1 ARG 85 9.049 -8.182 -6.160 653 1HH2 ARG 85 1HH2 ARG 85 8.916 -4.769 -5.416 654 2HH2 ARG 85 2HH2 ARG 85 9.035 -5.951 -6.675 655 H VAL 86 H VAL 86 9.550 -5.861 1.946 656 HA VAL 86 HA VAL 86 8.323 -3.329 1.440 657 HB VAL 86 HB VAL 86 8.027 -5.389 3.610 658 1HG1 VAL 86 1HG1 VAL 86 6.738 -2.664 3.526 659 2HG1 VAL 86 2HG1 VAL 86 6.177 -3.999 4.534 660 3HG1 VAL 86 3HG1 VAL 86 7.782 -3.312 4.790 661 1HG2 VAL 86 1HG2 VAL 86 6.982 -5.708 1.370 662 2HG2 VAL 86 2HG2 VAL 86 5.827 -5.663 2.702 663 3HG2 VAL 86 3HG2 VAL 86 6.027 -4.255 1.661 664 H LEU 87 H LEU 87 10.197 -4.566 4.216 665 HA LEU 87 HA LEU 87 10.495 -2.067 5.473 666 1HB LEU 87 2HB LEU 87 12.262 -4.511 5.654 667 2HB LEU 87 1HB LEU 87 12.295 -3.152 6.764 668 HG LEU 87 HG LEU 87 9.938 -4.997 6.360 669 1HD1 LEU 87 1HD1 LEU 87 11.809 -6.141 7.420 670 2HD1 LEU 87 2HD1 LEU 87 10.500 -5.869 8.569 671 3HD1 LEU 87 3HD1 LEU 87 11.937 -4.847 8.612 672 1HD2 LEU 87 1HD2 LEU 87 9.274 -2.751 7.031 673 2HD2 LEU 87 2HD2 LEU 87 10.422 -2.800 8.370 674 3HD2 LEU 87 3HD2 LEU 87 9.040 -3.894 8.353 675 H ASN 88 H ASN 88 12.244 -3.645 2.916 676 HA ASN 88 HA ASN 88 14.563 -1.984 3.003 677 1HB ASN 88 2HB ASN 88 14.390 -4.267 1.912 678 2HB ASN 88 1HB ASN 88 13.503 -3.491 0.608 679 1HD2 ASN 88 1HD2 ASN 88 14.568 -2.079 -0.774 680 2HD2 ASN 88 2HD2 ASN 88 16.292 -2.029 -0.882 681 H ALA 89 H ALA 89 11.629 -2.028 1.022 682 HA ALA 89 HA ALA 89 12.202 0.123 -0.650 683 1HB ALA 89 1HB ALA 89 10.323 -1.409 -1.002 684 2HB ALA 89 2HB ALA 89 9.498 -0.715 0.392 685 3HB ALA 89 3HB ALA 89 9.804 0.276 -1.035 686 H HIS 90 H HIS 90 10.312 0.162 2.382 687 HA HIS 90 HA HIS 90 9.890 2.915 2.492 688 1HB HIS 90 2HB HIS 90 8.705 1.318 3.932 689 2HB HIS 90 1HB HIS 90 10.202 0.970 4.791 690 HD1 HIS 90 HD1 HIS 90 7.493 3.517 4.491 691 HD2 HIS 90 HD2 HIS 90 11.012 2.941 6.625 692 HE1 HIS 90 HE1 HIS 90 7.462 5.242 6.319 693 HE2 HIS 90 HE2 HIS 90 9.559 4.819 7.649 694 H GLY 91 H GLY 91 12.410 0.980 4.099 695 1HA GLY 91 1HA GLY 91 13.832 3.024 5.310 696 2HA GLY 91 2HA GLY 91 14.545 1.515 4.751 697 H TYR 92 H TYR 92 13.930 1.917 1.978 698 HA TYR 92 HA TYR 92 16.218 3.371 1.181 699 1HB TYR 92 2HB TYR 92 15.631 1.702 -0.323 700 2HB TYR 92 1HB TYR 92 13.915 2.075 -0.230 701 HD1 TYR 92 HD1 TYR 92 12.934 3.765 -1.631 702 HD2 TYR 92 HD2 TYR 92 17.110 2.985 -1.798 703 HE1 TYR 92 HE1 TYR 92 13.076 5.038 -3.725 704 HE2 TYR 92 HE2 TYR 92 17.270 4.258 -3.897 705 HH TYR 92 HH TYR 92 14.772 6.256 -5.028 706 H TRP 93 H TRP 93 12.766 4.167 1.217 707 HA TRP 93 HA TRP 93 12.862 6.588 -0.147 708 1HB TRP 93 2HB TRP 93 11.100 5.869 2.205 709 2HB TRP 93 1HB TRP 93 10.826 7.209 1.102 710 HD1 TRP 93 HD1 TRP 93 11.652 5.174 -1.485 711 HE1 TRP 93 HE1 TRP 93 9.754 3.658 -2.338 712 HE3 TRP 93 HE3 TRP 93 8.581 5.350 2.596 713 HZ2 TRP 93 HZ2 TRP 93 7.276 2.672 -1.397 714 HZ3 TRP 93 HZ3 TRP 93 6.466 4.096 2.539 715 HH2 TRP 93 HH2 TRP 93 5.828 2.785 0.581 716 H THR 94 H THR 94 12.963 6.088 3.376 717 HA THR 94 HA THR 94 13.572 8.790 3.965 718 HB THR 94 HB THR 94 14.074 8.000 6.244 719 HG1 THR 94 HG1 THR 94 14.062 5.516 4.925 720 1HG2 THR 94 1HG2 THR 94 11.616 6.736 5.027 721 2HG2 THR 94 2HG2 THR 94 11.749 8.398 5.603 722 3HG2 THR 94 3HG2 THR 94 11.865 7.057 6.743 723 H GLN 95 H GLN 95 15.630 5.888 3.856 724 HA GLN 95 HA GLN 95 18.006 7.192 4.630 725 1HB GLN 95 2HB GLN 95 17.533 4.634 3.111 726 2HB GLN 95 1HB GLN 95 19.138 5.192 3.564 727 1HG GLN 95 2HG GLN 95 16.889 4.581 5.470 728 2HG GLN 95 1HG GLN 95 18.269 3.538 5.132 729 1HE2 GLN 95 1HE2 GLN 95 17.181 6.451 6.679 730 2HE2 GLN 95 2HE2 GLN 95 18.598 6.717 7.632 731 H GLN 96 H GLN 96 17.082 6.058 1.371 732 HA GLN 96 HA GLN 96 19.199 7.334 0.075 733 1HB GLN 96 2HB GLN 96 17.807 5.530 -0.922 734 2HB GLN 96 1HB GLN 96 16.498 6.688 -1.108 735 1HG GLN 96 2HG GLN 96 17.534 6.534 -3.207 736 2HG GLN 96 1HG GLN 96 18.070 8.063 -2.514 737 1HE2 GLN 96 1HE2 GLN 96 19.289 6.415 -4.588 738 2HE2 GLN 96 2HE2 GLN 96 20.882 6.043 -4.031 739 H GLN 97 H GLN 97 16.229 8.579 1.296 740 HA GLN 97 HA GLN 97 15.306 10.658 1.329 741 1HB GLN 97 2HB GLN 97 18.180 11.328 0.736 742 2HB GLN 97 1HB GLN 97 16.958 12.580 0.914 743 1HG GLN 97 2HG GLN 97 17.523 10.509 3.017 744 2HG GLN 97 1HG GLN 97 18.310 12.087 2.962 745 1HE2 GLN 97 1HE2 GLN 97 17.117 13.932 3.412 746 2HE2 GLN 97 2HE2 GLN 97 15.574 13.868 4.188 747 H MET 98 H MET 98 14.689 9.310 -0.914 748 HA MET 98 HA MET 98 13.922 9.525 -3.047 749 1HB MET 98 2HB MET 98 14.116 12.474 -2.411 750 2HB MET 98 1HB MET 98 13.230 11.782 -3.762 751 1HG MET 98 2HG MET 98 11.763 10.613 -2.199 752 2HG MET 98 1HG MET 98 12.653 11.309 -0.845 753 1HE MET 98 1HE MET 98 10.379 12.234 0.184 754 2HE MET 98 2HE MET 98 9.488 11.532 -1.167 755 3HE MET 98 3HE MET 98 9.230 13.219 -0.722 756 H GLN 99 H GLN 99 16.817 9.421 -2.572 757 HA GLN 99 HA GLN 99 18.755 9.497 -3.756 758 1HB GLN 99 2HB GLN 99 16.919 10.164 -6.065 759 2HB GLN 99 1HB GLN 99 18.605 9.687 -6.212 760 1HG GLN 99 2HG GLN 99 18.065 7.521 -5.196 761 2HG GLN 99 1HG GLN 99 16.372 8.002 -5.103 762 1HE2 GLN 99 1HE2 GLN 99 16.486 9.408 -7.666 763 2HE2 GLN 99 2HE2 GLN 99 16.488 8.181 -8.882 764 H GLN 100 H GLN 100 17.745 11.884 -2.432 765 HA GLN 100 HA GLN 100 18.300 14.067 -2.146 766 1HB GLN 100 2HB GLN 100 20.591 13.040 -2.606 767 2HB GLN 100 1HB GLN 100 20.429 13.664 -4.241 768 1HG GLN 100 2HG GLN 100 20.258 15.932 -3.371 769 2HG GLN 100 1HG GLN 100 20.386 15.316 -1.724 770 1HE2 GLN 100 1HE2 GLN 100 22.093 17.197 -3.164 771 2HE2 GLN 100 2HE2 GLN 100 23.683 16.522 -3.129 772 H LEU 101 H LEU 101 16.640 13.044 -4.555 773 HA LEU 101 HA LEU 101 15.468 13.926 -6.295 774 1HB LEU 101 2HB LEU 101 16.141 16.518 -4.901 775 2HB LEU 101 1HB LEU 101 14.911 16.322 -6.134 776 HG LEU 101 HG LEU 101 14.875 14.968 -3.434 777 1HD1 LEU 101 1HD1 LEU 101 13.311 17.337 -4.450 778 2HD1 LEU 101 2HD1 LEU 101 14.580 17.376 -3.226 779 3HD1 LEU 101 3HD1 LEU 101 13.069 16.526 -2.903 780 1HD2 LEU 101 1HD2 LEU 101 13.724 13.684 -5.153 781 2HD2 LEU 101 2HD2 LEU 101 12.801 15.114 -5.619 782 3HD2 LEU 101 3HD2 LEU 101 12.568 14.395 -4.026 783 H GLN 102 H GLN 102 18.066 13.315 -6.951 784 HA GLN 102 HA GLN 102 19.620 15.314 -8.093 785 1HB GLN 102 2HB GLN 102 20.375 12.992 -7.795 786 2HB GLN 102 1HB GLN 102 19.268 12.469 -9.054 787 1HG GLN 102 2HG GLN 102 21.510 12.620 -9.923 788 2HG GLN 102 1HG GLN 102 20.482 13.832 -10.683 789 1HE2 GLN 102 1HE2 GLN 102 21.725 14.135 -7.437 790 2HE2 GLN 102 2HE2 GLN 102 22.811 15.437 -7.764 791 H GLN 103 H GLN 103 17.813 13.033 -10.132 792 HA GLN 103 HA GLN 103 16.309 15.013 -11.490 793 1HB GLN 103 2HB GLN 103 18.526 15.609 -12.380 794 2HB GLN 103 1HB GLN 103 18.737 13.960 -12.953 795 1HG GLN 103 2HG GLN 103 16.838 14.237 -14.461 796 2HG GLN 103 1HG GLN 103 16.622 15.889 -13.885 797 1HE2 GLN 103 1HE2 GLN 103 18.110 17.468 -14.477 798 2HE2 GLN 103 2HE2 GLN 103 19.212 17.245 -15.790 799 H ASN 104 H ASN 104 18.037 12.120 -12.652 800 HA ASN 104 HA ASN 104 15.611 11.037 -13.741 801 1HB ASN 104 2HB ASN 104 17.829 10.718 -14.821 802 2HB ASN 104 1HB ASN 104 18.320 9.720 -13.455 803 1HD2 ASN 104 1HD2 ASN 104 17.475 7.665 -13.227 804 2HD2 ASN 104 2HD2 ASN 104 16.619 6.868 -14.497 805 H VAL 105 H VAL 105 14.449 11.036 -11.670 806 HA VAL 105 HA VAL 105 15.168 9.405 -9.504 807 HB VAL 105 HB VAL 105 13.476 11.068 -9.192 808 1HG1 VAL 105 1HG1 VAL 105 12.571 11.052 -11.481 809 2HG1 VAL 105 2HG1 VAL 105 11.742 9.538 -11.125 810 3HG1 VAL 105 3HG1 VAL 105 11.304 11.008 -10.255 811 1HG2 VAL 105 1HG2 VAL 105 12.235 8.328 -8.964 812 2HG2 VAL 105 2HG2 VAL 105 13.307 9.081 -7.783 813 3HG2 VAL 105 3HG2 VAL 105 11.718 9.775 -8.100 Start of MODEL 13 1 H GLN 9 H GLN 9 -26.911 13.251 -2.864 2 HA GLN 9 HA GLN 9 -24.527 13.012 -1.149 3 1HB GLN 9 2HB GLN 9 -26.139 10.833 -2.487 4 2HB GLN 9 1HB GLN 9 -24.708 10.578 -1.499 5 1HG GLN 9 2HG GLN 9 -25.872 11.507 0.433 6 2HG GLN 9 1HG GLN 9 -27.306 11.772 -0.556 7 1HE2 GLN 9 1HE2 GLN 9 -28.576 10.441 0.720 8 2HE2 GLN 9 2HE2 GLN 9 -28.412 8.722 0.715 9 H ARG 10 H ARG 10 -25.722 12.048 -4.367 10 HA ARG 10 HA ARG 10 -24.699 11.856 -6.387 11 1HB ARG 10 2HB ARG 10 -22.722 13.848 -5.262 12 2HB ARG 10 1HB ARG 10 -23.004 13.499 -6.961 13 1HG ARG 10 2HG ARG 10 -25.017 14.705 -5.072 14 2HG ARG 10 1HG ARG 10 -24.050 15.596 -6.249 15 1HD ARG 10 2HD ARG 10 -25.085 14.318 -8.062 16 2HD ARG 10 1HD ARG 10 -26.049 13.426 -6.885 17 HE ARG 10 HE ARG 10 -26.376 16.285 -6.755 18 1HH1 ARG 10 1HH1 ARG 10 -27.475 13.326 -8.234 19 2HH1 ARG 10 2HH1 ARG 10 -29.032 13.959 -8.646 20 1HH2 ARG 10 1HH2 ARG 10 -28.427 17.125 -7.293 21 2HH2 ARG 10 2HH2 ARG 10 -29.574 16.119 -8.111 22 H ARG 11 H ARG 11 -23.717 10.327 -3.911 23 HA ARG 11 HA ARG 11 -21.110 9.491 -4.997 24 1HB ARG 11 2HB ARG 11 -21.002 10.338 -2.697 25 2HB ARG 11 1HB ARG 11 -22.209 9.161 -2.199 26 1HG ARG 11 2HG ARG 11 -20.670 7.347 -2.765 27 2HG ARG 11 1HG ARG 11 -19.457 8.533 -3.252 28 1HD ARG 11 2HD ARG 11 -19.424 9.433 -0.980 29 2HD ARG 11 1HD ARG 11 -20.650 8.264 -0.493 30 HE ARG 11 HE ARG 11 -18.464 6.887 -1.585 31 1HH1 ARG 11 1HH1 ARG 11 -19.296 8.785 1.215 32 2HH1 ARG 11 2HH1 ARG 11 -18.157 7.992 2.250 33 1HH2 ARG 11 1HH2 ARG 11 -16.963 5.836 -0.230 34 2HH2 ARG 11 2HH2 ARG 11 -16.830 6.316 1.430 35 H ILE 12 H ILE 12 -20.784 7.410 -5.582 36 HA ILE 12 HA ILE 12 -23.132 5.655 -5.567 37 HB ILE 12 HB ILE 12 -20.588 5.535 -7.189 38 1HG1 ILE 12 2HG1 ILE 12 -23.447 6.032 -8.045 39 2HG1 ILE 12 1HG1 ILE 12 -22.246 7.296 -7.805 40 1HG2 ILE 12 1HG2 ILE 12 -21.675 3.677 -8.404 41 2HG2 ILE 12 2HG2 ILE 12 -22.968 3.684 -7.204 42 3HG2 ILE 12 3HG2 ILE 12 -21.319 3.283 -6.722 43 1HD1 ILE 12 1HD1 ILE 12 -22.095 5.074 -9.829 44 2HD1 ILE 12 2HD1 ILE 12 -20.881 6.330 -9.585 45 3HD1 ILE 12 3HD1 ILE 12 -22.494 6.760 -10.153 46 H ARG 13 H ARG 13 -19.655 4.931 -5.575 47 HA ARG 13 HA ARG 13 -19.927 3.466 -3.067 48 1HB ARG 13 2HB ARG 13 -18.897 1.444 -4.010 49 2HB ARG 13 1HB ARG 13 -20.439 1.801 -4.777 50 1HG ARG 13 2HG ARG 13 -19.283 2.743 -6.699 51 2HG ARG 13 1HG ARG 13 -17.727 2.435 -5.925 52 1HD ARG 13 2HD ARG 13 -18.214 0.033 -5.922 53 2HD ARG 13 1HD ARG 13 -19.761 0.348 -6.708 54 HE ARG 13 HE ARG 13 -17.836 1.484 -8.326 55 1HH1 ARG 13 1HH1 ARG 13 -18.591 -1.699 -7.123 56 2HH1 ARG 13 2HH1 ARG 13 -17.938 -2.516 -8.504 57 1HH2 ARG 13 1HH2 ARG 13 -16.975 0.416 -10.146 58 2HH2 ARG 13 2HH2 ARG 13 -17.019 -1.314 -10.222 59 H ARG 14 H ARG 14 -17.439 2.145 -3.234 60 HA ARG 14 HA ARG 14 -15.701 4.161 -2.357 61 1HB ARG 14 2HB ARG 14 -15.024 1.374 -3.312 62 2HB ARG 14 1HB ARG 14 -13.965 2.415 -2.373 63 1HG ARG 14 2HG ARG 14 -16.637 1.385 -1.441 64 2HG ARG 14 1HG ARG 14 -15.072 0.690 -1.014 65 1HD ARG 14 2HD ARG 14 -14.421 2.807 0.031 66 2HD ARG 14 1HD ARG 14 -15.984 3.501 -0.400 67 HE ARG 14 HE ARG 14 -16.364 1.145 1.102 68 1HH1 ARG 14 1HH1 ARG 14 -15.306 4.447 1.454 69 2HH1 ARG 14 2HH1 ARG 14 -15.785 4.558 3.114 70 1HH2 ARG 14 1HH2 ARG 14 -16.998 1.284 3.289 71 2HH2 ARG 14 2HH2 ARG 14 -16.747 2.760 4.156 72 HA PRO 15 HA PRO 15 -14.338 5.663 -6.347 73 1HB PRO 15 2HB PRO 15 -12.446 7.385 -5.470 74 2HB PRO 15 1HB PRO 15 -14.176 7.730 -5.347 75 1HG PRO 15 2HG PRO 15 -12.297 6.703 -3.254 76 2HG PRO 15 1HG PRO 15 -13.557 7.944 -3.115 77 1HD PRO 15 2HD PRO 15 -13.913 5.387 -2.279 78 2HD PRO 15 1HD PRO 15 -15.241 6.391 -2.897 79 H PHE 16 H PHE 16 -11.911 4.828 -3.878 80 HA PHE 16 HA PHE 16 -10.290 3.603 -6.012 81 1HB PHE 16 2HB PHE 16 -9.314 5.040 -3.535 82 2HB PHE 16 1HB PHE 16 -8.282 4.175 -4.668 83 HD1 PHE 16 HD1 PHE 16 -10.303 7.166 -4.117 84 HD2 PHE 16 HD2 PHE 16 -7.807 5.077 -6.859 85 HE1 PHE 16 HE1 PHE 16 -10.096 9.206 -5.477 86 HE2 PHE 16 HE2 PHE 16 -7.596 7.114 -8.224 87 HZ PHE 16 HZ PHE 16 -8.741 9.182 -7.533 88 H SER 17 H SER 17 -8.835 1.867 -5.234 89 HA SER 17 HA SER 17 -9.505 0.573 -2.743 90 1HB SER 17 2HB SER 17 -10.254 -1.538 -3.787 91 2HB SER 17 1HB SER 17 -11.350 -0.206 -4.153 92 HG SER 17 HG SER 17 -9.248 -0.951 -5.892 93 H VAL 18 H VAL 18 -8.365 -1.707 -2.744 94 HA VAL 18 HA VAL 18 -5.659 -1.377 -2.801 95 HB VAL 18 HB VAL 18 -6.749 -3.292 -1.739 96 1HG1 VAL 18 1HG1 VAL 18 -8.394 -3.807 -3.454 97 2HG1 VAL 18 2HG1 VAL 18 -7.113 -4.333 -4.546 98 3HG1 VAL 18 3HG1 VAL 18 -7.436 -5.235 -3.066 99 1HG2 VAL 18 1HG2 VAL 18 -5.102 -5.020 -2.358 100 2HG2 VAL 18 2HG2 VAL 18 -4.653 -4.061 -3.768 101 3HG2 VAL 18 3HG2 VAL 18 -4.367 -3.431 -2.146 102 H ALA 19 H ALA 19 -7.738 -2.222 -5.491 103 HA ALA 19 HA ALA 19 -5.762 -3.113 -7.288 104 1HB ALA 19 1HB ALA 19 -8.154 -3.498 -7.633 105 2HB ALA 19 2HB ALA 19 -8.390 -1.771 -7.906 106 3HB ALA 19 3HB ALA 19 -7.415 -2.716 -9.031 107 H GLU 20 H GLU 20 -7.264 0.095 -6.906 108 HA GLU 20 HA GLU 20 -5.679 1.369 -8.870 109 1HB GLU 20 2HB GLU 20 -7.164 2.523 -6.503 110 2HB GLU 20 1HB GLU 20 -6.479 3.472 -7.813 111 1HG GLU 20 2HG GLU 20 -8.646 1.402 -8.087 112 2HG GLU 20 1HG GLU 20 -8.876 3.150 -8.089 113 H VAL 21 H VAL 21 -5.363 1.038 -5.366 114 HA VAL 21 HA VAL 21 -3.204 2.749 -4.961 115 HB VAL 21 HB VAL 21 -3.787 0.177 -3.483 116 1HG1 VAL 21 1HG1 VAL 21 -1.545 1.004 -3.035 117 2HG1 VAL 21 2HG1 VAL 21 -2.190 2.605 -2.671 118 3HG1 VAL 21 3HG1 VAL 21 -2.580 1.239 -1.627 119 1HG2 VAL 21 1HG2 VAL 21 -4.731 2.998 -2.985 120 2HG2 VAL 21 2HG2 VAL 21 -5.723 1.627 -3.484 121 3HG2 VAL 21 3HG2 VAL 21 -4.974 1.639 -1.889 122 H GLU 22 H GLU 22 -3.321 -0.515 -6.228 123 HA GLU 22 HA GLU 22 -0.724 -1.374 -5.954 124 1HB GLU 22 2HB GLU 22 -2.546 -2.682 -7.014 125 2HB GLU 22 1HB GLU 22 -2.428 -1.658 -8.438 126 1HG GLU 22 2HG GLU 22 -0.123 -2.414 -8.779 127 2HG GLU 22 1HG GLU 22 -0.268 -3.462 -7.369 128 H ALA 23 H ALA 23 -1.998 0.450 -8.739 129 HA ALA 23 HA ALA 23 0.475 0.965 -9.947 130 1HB ALA 23 1HB ALA 23 -1.547 1.282 -11.194 131 2HB ALA 23 2HB ALA 23 -2.116 2.505 -10.057 132 3HB ALA 23 3HB ALA 23 -0.725 2.837 -11.087 133 H LEU 24 H LEU 24 -1.377 2.742 -7.528 134 HA LEU 24 HA LEU 24 0.187 5.051 -7.389 135 1HB LEU 24 2HB LEU 24 -2.012 4.792 -6.303 136 2HB LEU 24 1HB LEU 24 -1.307 3.672 -5.154 137 HG LEU 24 HG LEU 24 0.155 5.498 -4.321 138 1HD1 LEU 24 1HD1 LEU 24 0.211 6.873 -6.329 139 2HD1 LEU 24 2HD1 LEU 24 -0.360 7.805 -4.945 140 3HD1 LEU 24 3HD1 LEU 24 -1.509 7.222 -6.151 141 1HD2 LEU 24 1HD2 LEU 24 -1.606 6.705 -3.128 142 2HD2 LEU 24 2HD2 LEU 24 -1.936 4.974 -3.191 143 3HD2 LEU 24 3HD2 LEU 24 -2.803 6.076 -4.260 144 H VAL 25 H VAL 25 0.701 1.847 -6.133 145 HA VAL 25 HA VAL 25 2.802 2.560 -4.320 146 HB VAL 25 HB VAL 25 1.967 -0.106 -5.472 147 1HG1 VAL 25 1HG1 VAL 25 4.115 0.523 -3.453 148 2HG1 VAL 25 2HG1 VAL 25 3.431 -1.084 -3.697 149 3HG1 VAL 25 3HG1 VAL 25 4.304 -0.289 -5.006 150 1HG2 VAL 25 1HG2 VAL 25 0.341 0.762 -3.949 151 2HG2 VAL 25 2HG2 VAL 25 1.238 -0.503 -3.114 152 3HG2 VAL 25 3HG2 VAL 25 1.586 1.194 -2.779 153 H GLN 26 H GLN 26 2.595 1.410 -7.641 154 HA GLN 26 HA GLN 26 5.362 0.970 -8.029 155 1HB GLN 26 2HB GLN 26 3.608 0.044 -9.502 156 2HB GLN 26 1HB GLN 26 3.238 1.666 -10.069 157 1HG GLN 26 2HG GLN 26 4.587 0.576 -11.705 158 2HG GLN 26 1HG GLN 26 5.550 1.838 -10.939 159 1HE2 GLN 26 1HE2 GLN 26 7.490 0.877 -11.489 160 2HE2 GLN 26 2HE2 GLN 26 8.059 -0.568 -10.732 161 H ALA 27 H ALA 27 3.424 3.805 -7.926 162 HA ALA 27 HA ALA 27 5.352 5.455 -9.332 163 1HB ALA 27 1HB ALA 27 2.818 6.244 -7.906 164 2HB ALA 27 2HB ALA 27 3.787 7.273 -8.961 165 3HB ALA 27 3HB ALA 27 2.957 5.865 -9.622 166 H VAL 28 H VAL 28 4.284 4.896 -6.011 167 HA VAL 28 HA VAL 28 5.955 7.025 -4.982 168 HB VAL 28 HB VAL 28 5.148 6.370 -2.772 169 1HG1 VAL 28 1HG1 VAL 28 3.802 7.902 -4.087 170 2HG1 VAL 28 2HG1 VAL 28 2.967 6.549 -4.850 171 3HG1 VAL 28 3HG1 VAL 28 2.763 6.852 -3.124 172 1HG2 VAL 28 1HG2 VAL 28 5.038 3.971 -3.051 173 2HG2 VAL 28 2HG2 VAL 28 3.458 4.583 -2.561 174 3HG2 VAL 28 3HG2 VAL 28 3.748 4.140 -4.243 175 H GLU 29 H GLU 29 6.342 3.677 -5.636 176 HA GLU 29 HA GLU 29 8.113 2.923 -3.614 177 1HB GLU 29 2HB GLU 29 9.003 1.282 -5.334 178 2HB GLU 29 1HB GLU 29 7.281 1.202 -4.987 179 1HG GLU 29 2HG GLU 29 6.704 2.172 -7.022 180 2HG GLU 29 1HG GLU 29 8.329 2.794 -7.297 181 H LYS 30 H LYS 30 8.560 5.300 -5.953 182 HA LYS 30 HA LYS 30 11.486 5.042 -5.813 183 1HB LYS 30 2HB LYS 30 11.515 6.622 -7.737 184 2HB LYS 30 1HB LYS 30 10.707 5.099 -8.082 185 1HG LYS 30 2HG LYS 30 8.548 6.142 -7.861 186 2HG LYS 30 1HG LYS 30 9.296 7.660 -7.361 187 1HD LYS 30 2HD LYS 30 10.396 7.828 -9.548 188 2HD LYS 30 1HD LYS 30 9.630 6.316 -10.044 189 1HE LYS 30 2HE LYS 30 7.428 7.341 -9.769 190 2HE LYS 30 1HE LYS 30 8.188 8.848 -9.262 191 1HZ LYS 30 1HZ LYS 30 9.231 9.012 -11.436 192 2HZ LYS 30 2HZ LYS 30 7.548 8.924 -11.587 193 3HZ LYS 30 3HZ LYS 30 8.499 7.565 -11.923 194 H LEU 31 H LEU 31 8.888 7.468 -5.566 195 HA LEU 31 HA LEU 31 10.757 9.192 -4.083 196 1HB LEU 31 2HB LEU 31 8.999 10.984 -4.610 197 2HB LEU 31 1HB LEU 31 10.045 10.439 -5.907 198 HG LEU 31 HG LEU 31 8.145 8.869 -6.578 199 1HD1 LEU 31 1HD1 LEU 31 6.624 10.708 -4.737 200 2HD1 LEU 31 2HD1 LEU 31 6.839 8.968 -4.544 201 3HD1 LEU 31 3HD1 LEU 31 5.896 9.596 -5.895 202 1HD2 LEU 31 1HD2 LEU 31 6.990 10.639 -7.811 203 2HD2 LEU 31 2HD2 LEU 31 8.738 10.865 -7.838 204 3HD2 LEU 31 3HD2 LEU 31 7.739 11.851 -6.772 205 H GLY 32 H GLY 32 9.231 6.936 -2.979 206 1HA GLY 32 1HA GLY 32 7.020 7.939 -1.491 207 2HA GLY 32 2HA GLY 32 7.866 6.429 -1.198 208 H THR 33 H THR 33 7.139 7.424 1.020 209 HA THR 33 HA THR 33 9.565 8.535 2.205 210 HB THR 33 HB THR 33 7.991 10.017 3.640 211 HG1 THR 33 HG1 THR 33 6.010 9.344 2.850 212 1HG2 THR 33 1HG2 THR 33 9.696 10.905 2.130 213 2HG2 THR 33 2HG2 THR 33 8.225 11.878 2.055 214 3HG2 THR 33 3HG2 THR 33 8.590 10.729 0.767 215 H GLY 34 H GLY 34 6.247 7.417 2.865 216 1HA GLY 34 1HA GLY 34 7.185 5.422 4.698 217 2HA GLY 34 2HA GLY 34 6.433 6.781 5.521 218 H ARG 35 H ARG 35 5.315 5.963 2.376 219 HA ARG 35 HA ARG 35 3.210 5.465 1.652 220 1HB ARG 35 2HB ARG 35 2.642 3.194 1.927 221 2HB ARG 35 1HB ARG 35 4.393 3.252 2.030 222 1HG ARG 35 2HG ARG 35 2.973 3.443 4.599 223 2HG ARG 35 1HG ARG 35 2.810 1.909 3.746 224 1HD ARG 35 2HD ARG 35 5.385 3.273 4.524 225 2HD ARG 35 1HD ARG 35 4.696 1.829 5.263 226 HE ARG 35 HE ARG 35 5.178 1.568 2.442 227 1HH1 ARG 35 1HH1 ARG 35 6.550 1.274 5.630 228 2HH1 ARG 35 2HH1 ARG 35 7.791 0.171 5.136 229 1HH2 ARG 35 1HH2 ARG 35 6.813 0.120 1.779 230 2HH2 ARG 35 2HH2 ARG 35 7.940 -0.484 2.947 231 H TRP 36 H TRP 36 3.322 7.107 4.129 232 HA TRP 36 HA TRP 36 1.163 6.300 5.801 233 1HB TRP 36 2HB TRP 36 1.297 8.711 6.606 234 2HB TRP 36 1HB TRP 36 2.759 7.746 6.783 235 HD1 TRP 36 HD1 TRP 36 4.823 8.337 5.150 236 HE1 TRP 36 HE1 TRP 36 5.424 10.501 3.898 237 HE3 TRP 36 HE3 TRP 36 0.301 10.710 5.415 238 HZ2 TRP 36 HZ2 TRP 36 4.151 12.901 3.126 239 HZ3 TRP 36 HZ3 TRP 36 0.079 12.938 4.395 240 HH2 TRP 36 HH2 TRP 36 1.964 14.010 3.276 241 H ARG 37 H ARG 37 1.456 8.603 3.116 242 HA ARG 37 HA ARG 37 -1.247 9.488 3.260 243 1HB ARG 37 2HB ARG 37 -0.761 10.452 1.009 244 2HB ARG 37 1HB ARG 37 0.404 10.905 2.246 245 1HG ARG 37 2HG ARG 37 1.778 8.906 1.360 246 2HG ARG 37 1HG ARG 37 0.738 9.038 -0.061 247 1HD ARG 37 2HD ARG 37 1.374 11.447 -0.197 248 2HD ARG 37 1HD ARG 37 2.543 11.157 1.089 249 HE ARG 37 HE ARG 37 2.945 9.320 -1.016 250 1HH1 ARG 37 1HH1 ARG 37 3.384 12.682 -0.215 251 2HH1 ARG 37 2HH1 ARG 37 4.727 12.894 -1.287 252 1HH2 ARG 37 1HH2 ARG 37 4.713 9.591 -2.431 253 2HH2 ARG 37 2HH2 ARG 37 5.482 11.140 -2.547 254 H ASP 38 H ASP 38 0.421 6.937 1.527 255 HA ASP 38 HA ASP 38 -1.656 6.335 -0.299 256 1HB ASP 38 2HB ASP 38 0.532 4.524 0.742 257 2HB ASP 38 1HB ASP 38 -0.434 4.255 -0.706 258 H VAL 39 H VAL 39 -0.592 4.484 2.564 259 HA VAL 39 HA VAL 39 -2.742 2.715 2.600 260 HB VAL 39 HB VAL 39 -1.188 3.683 5.002 261 1HG1 VAL 39 1HG1 VAL 39 -3.156 2.462 5.658 262 2HG1 VAL 39 2HG1 VAL 39 -2.789 1.177 4.507 263 3HG1 VAL 39 3HG1 VAL 39 -1.741 1.437 5.900 264 1HG2 VAL 39 1HG2 VAL 39 0.317 1.825 4.588 265 2HG2 VAL 39 2HG2 VAL 39 -0.608 1.366 3.159 266 3HG2 VAL 39 3HG2 VAL 39 0.273 2.892 3.186 267 H LYS 40 H LYS 40 -2.428 5.914 4.090 268 HA LYS 40 HA LYS 40 -4.788 5.778 5.631 269 1HB LYS 40 2HB LYS 40 -3.087 8.026 4.616 270 2HB LYS 40 1HB LYS 40 -4.619 8.367 5.405 271 1HG LYS 40 2HG LYS 40 -3.861 7.178 7.399 272 2HG LYS 40 1HG LYS 40 -2.324 6.832 6.606 273 1HD LYS 40 2HD LYS 40 -1.877 9.234 6.430 274 2HD LYS 40 1HD LYS 40 -3.414 9.577 7.227 275 1HE LYS 40 2HE LYS 40 -2.637 8.388 9.224 276 2HE LYS 40 1HE LYS 40 -1.101 8.053 8.424 277 1HZ LYS 40 1HZ LYS 40 -0.931 9.951 9.906 278 2HZ LYS 40 2HZ LYS 40 -2.161 10.752 9.068 279 3HZ LYS 40 3HZ LYS 40 -0.688 10.431 8.302 280 H LEU 41 H LEU 41 -4.181 6.656 2.285 281 HA LEU 41 HA LEU 41 -7.063 7.167 1.954 282 1HB LEU 41 2HB LEU 41 -4.679 8.184 0.425 283 2HB LEU 41 1HB LEU 41 -6.305 8.269 -0.228 284 HG LEU 41 HG LEU 41 -6.936 9.584 1.854 285 1HD1 LEU 41 1HD1 LEU 41 -5.050 8.980 3.255 286 2HD1 LEU 41 2HD1 LEU 41 -5.096 10.724 3.006 287 3HD1 LEU 41 3HD1 LEU 41 -3.937 9.738 2.116 288 1HD2 LEU 41 1HD2 LEU 41 -6.643 10.625 -0.326 289 2HD2 LEU 41 2HD2 LEU 41 -4.907 10.760 -0.042 290 3HD2 LEU 41 3HD2 LEU 41 -6.040 11.674 0.956 291 H CYS 42 H CYS 42 -5.396 4.607 1.894 292 HA CYS 42 HA CYS 42 -5.195 3.539 -0.642 293 1HB CYS 42 2HB CYS 42 -4.360 2.303 1.231 294 2HB CYS 42 1HB CYS 42 -5.953 2.235 1.976 295 HG CYS 42 HG CYS 42 -6.435 0.832 -0.842 296 H ALA 43 H ALA 43 -7.995 3.476 1.530 297 HA ALA 43 HA ALA 43 -9.940 3.874 -0.436 298 1HB ALA 43 1HB ALA 43 -9.579 0.970 0.301 299 2HB ALA 43 2HB ALA 43 -10.902 1.635 -0.657 300 3HB ALA 43 3HB ALA 43 -9.253 1.680 -1.280 301 H PHE 44 H PHE 44 -9.213 4.458 2.360 302 HA PHE 44 HA PHE 44 -10.287 4.944 4.306 303 1HB PHE 44 2HB PHE 44 -12.282 5.357 2.772 304 2HB PHE 44 1HB PHE 44 -12.778 3.703 3.109 305 HD1 PHE 44 HD1 PHE 44 -14.213 3.304 4.864 306 HD2 PHE 44 HD2 PHE 44 -11.864 6.853 4.876 307 HE1 PHE 44 HE1 PHE 44 -15.386 4.067 6.889 308 HE2 PHE 44 HE2 PHE 44 -13.033 7.622 6.902 309 HZ PHE 44 HZ PHE 44 -14.795 6.229 7.910 310 H GLU 45 H GLU 45 -9.186 2.324 3.292 311 HA GLU 45 HA GLU 45 -10.464 0.297 4.853 312 1HB GLU 45 2HB GLU 45 -9.261 -0.111 2.690 313 2HB GLU 45 1HB GLU 45 -7.754 0.226 3.525 314 1HG GLU 45 2HG GLU 45 -8.179 -2.168 3.274 315 2HG GLU 45 1HG GLU 45 -8.076 -1.677 4.966 316 H ASP 46 H ASP 46 -7.293 1.896 4.965 317 HA ASP 46 HA ASP 46 -7.189 1.302 7.851 318 1HB ASP 46 2HB ASP 46 -5.477 0.117 6.398 319 2HB ASP 46 1HB ASP 46 -4.788 1.702 6.063 320 H ALA 47 H ALA 47 -8.298 3.612 6.332 321 HA ALA 47 HA ALA 47 -6.656 5.864 6.503 322 1HB ALA 47 1HB ALA 47 -8.709 7.171 6.444 323 2HB ALA 47 2HB ALA 47 -8.791 5.828 5.304 324 3HB ALA 47 3HB ALA 47 -9.650 5.734 6.841 325 H ASP 48 H ASP 48 -8.207 4.051 8.991 326 HA ASP 48 HA ASP 48 -8.175 6.164 10.951 327 1HB ASP 48 2HB ASP 48 -8.598 3.185 11.276 328 2HB ASP 48 1HB ASP 48 -8.851 4.392 12.533 329 H HIS 49 H HIS 49 -5.856 4.230 9.593 330 HA HIS 49 HA HIS 49 -3.823 3.386 10.231 331 1HB HIS 49 2HB HIS 49 -2.337 5.210 11.118 332 2HB HIS 49 1HB HIS 49 -3.219 5.609 9.652 333 HD1 HIS 49 HD1 HIS 49 -2.961 6.489 13.275 334 HD2 HIS 49 HD2 HIS 49 -5.107 7.660 9.915 335 HE1 HIS 49 HE1 HIS 49 -4.089 8.644 13.915 336 HE2 HIS 49 HE2 HIS 49 -5.312 9.377 11.838 337 H ARG 50 H ARG 50 -4.232 1.750 11.668 338 HA ARG 50 HA ARG 50 -4.852 2.052 14.382 339 1HB ARG 50 2HB ARG 50 -3.382 -0.218 13.031 340 2HB ARG 50 1HB ARG 50 -4.124 -0.287 14.623 341 1HG ARG 50 2HG ARG 50 -5.599 0.193 12.041 342 2HG ARG 50 1HG ARG 50 -5.500 -1.348 12.893 343 1HD ARG 50 2HD ARG 50 -6.607 -0.353 14.831 344 2HD ARG 50 1HD ARG 50 -6.688 1.197 13.995 345 HE ARG 50 HE ARG 50 -7.933 -0.906 12.515 346 1HH1 ARG 50 1HH1 ARG 50 -8.394 1.356 15.126 347 2HH1 ARG 50 2HH1 ARG 50 -10.119 1.383 14.967 348 1HH2 ARG 50 1HH2 ARG 50 -10.202 -0.874 12.299 349 2HH2 ARG 50 2HH2 ARG 50 -11.146 0.116 13.362 350 H THR 51 H THR 51 -1.699 1.008 13.064 351 HA THR 51 HA THR 51 -0.316 2.745 14.941 352 HB THR 51 HB THR 51 0.681 -0.049 14.983 353 HG1 THR 51 HG1 THR 51 -1.601 -0.288 15.318 354 1HG2 THR 51 1HG2 THR 51 0.296 1.971 17.194 355 2HG2 THR 51 2HG2 THR 51 1.738 1.882 16.183 356 3HG2 THR 51 3HG2 THR 51 1.309 0.527 17.227 357 H TYR 52 H TYR 52 2.208 2.202 14.659 358 HA TYR 52 HA TYR 52 2.798 2.833 11.987 359 1HB TYR 52 2HB TYR 52 5.111 2.823 12.601 360 2HB TYR 52 1HB TYR 52 4.191 3.527 13.918 361 HD1 TYR 52 HD1 TYR 52 3.345 1.320 15.562 362 HD2 TYR 52 HD2 TYR 52 6.971 1.767 13.380 363 HE1 TYR 52 HE1 TYR 52 4.474 -0.177 17.146 364 HE2 TYR 52 HE2 TYR 52 8.107 0.263 14.957 365 HH TYR 52 HH TYR 52 6.439 -1.652 17.203 366 H VAL 53 H VAL 53 3.238 -0.231 13.767 367 HA VAL 53 HA VAL 53 4.245 -1.558 11.416 368 HB VAL 53 HB VAL 53 3.346 -2.727 14.056 369 1HG1 VAL 53 1HG1 VAL 53 3.205 -4.379 12.273 370 2HG1 VAL 53 2HG1 VAL 53 4.854 -3.999 11.769 371 3HG1 VAL 53 3HG1 VAL 53 4.559 -4.742 13.342 372 1HG2 VAL 53 1HG2 VAL 53 6.139 -2.284 13.019 373 2HG2 VAL 53 2HG2 VAL 53 5.308 -1.187 14.121 374 3HG2 VAL 53 3HG2 VAL 53 5.666 -2.837 14.625 375 H ASP 54 H ASP 54 1.163 -1.353 13.119 376 HA ASP 54 HA ASP 54 -0.183 -3.384 11.710 377 1HB ASP 54 2HB ASP 54 -1.229 -0.876 13.038 378 2HB ASP 54 1HB ASP 54 -2.264 -2.149 12.397 379 H LEU 55 H LEU 55 0.115 0.092 11.114 380 HA LEU 55 HA LEU 55 -1.497 0.160 8.798 381 1HB LEU 55 2HB LEU 55 -0.973 2.177 10.039 382 2HB LEU 55 1HB LEU 55 0.736 1.975 9.714 383 HG LEU 55 HG LEU 55 -1.077 2.231 7.371 384 1HD1 LEU 55 1HD1 LEU 55 -0.291 4.554 9.123 385 2HD1 LEU 55 2HD1 LEU 55 -1.928 3.950 8.866 386 3HD1 LEU 55 3HD1 LEU 55 -1.033 4.673 7.528 387 1HD2 LEU 55 1HD2 LEU 55 1.301 1.886 7.030 388 2HD2 LEU 55 2HD2 LEU 55 1.670 3.282 8.044 389 3HD2 LEU 55 3HD2 LEU 55 0.842 3.505 6.503 390 H LYS 56 H LYS 56 2.041 0.005 9.216 391 HA LYS 56 HA LYS 56 2.676 -0.154 6.495 392 1HB LYS 56 2HB LYS 56 4.834 -0.484 7.176 393 2HB LYS 56 1HB LYS 56 4.163 0.100 8.692 394 1HG LYS 56 2HG LYS 56 5.249 -1.721 9.478 395 2HG LYS 56 1HG LYS 56 3.726 -2.499 9.047 396 1HD LYS 56 2HD LYS 56 5.449 -3.869 8.160 397 2HD LYS 56 1HD LYS 56 4.756 -2.994 6.795 398 1HE LYS 56 2HE LYS 56 7.170 -2.993 6.631 399 2HE LYS 56 1HE LYS 56 6.581 -1.357 6.933 400 1HZ LYS 56 1HZ LYS 56 7.730 -3.193 8.967 401 2HZ LYS 56 2HZ LYS 56 7.147 -1.635 9.272 402 3HZ LYS 56 3HZ LYS 56 8.508 -1.850 8.290 403 H ASP 57 H ASP 57 1.477 -2.502 8.743 404 HA ASP 57 HA ASP 57 2.165 -4.853 7.349 405 1HB ASP 57 2HB ASP 57 1.342 -4.724 9.729 406 2HB ASP 57 1HB ASP 57 -0.273 -4.442 9.091 407 H LYS 58 H LYS 58 -0.795 -2.900 7.396 408 HA LYS 58 HA LYS 58 -2.257 -4.363 5.520 409 1HB LYS 58 2HB LYS 58 -2.312 -1.381 6.040 410 2HB LYS 58 1HB LYS 58 -3.547 -2.281 5.173 411 1HG LYS 58 2HG LYS 58 -2.792 -2.735 8.052 412 2HG LYS 58 1HG LYS 58 -4.169 -1.780 7.501 413 1HD LYS 58 2HD LYS 58 -5.099 -3.766 6.404 414 2HD LYS 58 1HD LYS 58 -3.722 -4.718 6.965 415 1HE LYS 58 2HE LYS 58 -5.663 -5.062 8.399 416 2HE LYS 58 1HE LYS 58 -4.355 -4.277 9.282 417 1HZ LYS 58 1HZ LYS 58 -6.727 -2.911 8.129 418 2HZ LYS 58 2HZ LYS 58 -5.474 -2.155 8.975 419 3HZ LYS 58 3HZ LYS 58 -6.485 -3.254 9.768 420 H TRP 59 H TRP 59 0.325 -2.073 5.163 421 HA TRP 59 HA TRP 59 -0.005 -1.620 2.362 422 1HB TRP 59 2HB TRP 59 1.185 0.097 3.334 423 2HB TRP 59 1HB TRP 59 2.030 -0.972 4.443 424 HD1 TRP 59 HD1 TRP 59 4.248 -2.174 3.536 425 HE1 TRP 59 HE1 TRP 59 5.860 -1.553 1.623 426 HE3 TRP 59 HE3 TRP 59 1.265 1.109 1.003 427 HZ2 TRP 59 HZ2 TRP 59 5.857 0.107 -0.660 428 HZ3 TRP 59 HZ3 TRP 59 2.143 2.172 -1.035 429 HH2 TRP 59 HH2 TRP 59 4.391 1.681 -1.847 430 H LYS 60 H LYS 60 2.184 -3.619 4.316 431 HA LYS 60 HA LYS 60 3.646 -4.794 2.259 432 1HB LYS 60 2HB LYS 60 4.182 -4.968 4.679 433 2HB LYS 60 1HB LYS 60 2.826 -6.068 4.876 434 1HG LYS 60 2HG LYS 60 3.956 -7.552 3.163 435 2HG LYS 60 1HG LYS 60 5.375 -6.523 3.361 436 1HD LYS 60 2HD LYS 60 5.792 -8.215 4.879 437 2HD LYS 60 1HD LYS 60 5.030 -6.989 5.896 438 1HE LYS 60 2HE LYS 60 2.847 -8.167 5.490 439 2HE LYS 60 1HE LYS 60 3.768 -9.461 4.729 440 1HZ LYS 60 1HZ LYS 60 3.300 -9.953 7.047 441 2HZ LYS 60 2HZ LYS 60 4.090 -8.539 7.534 442 3HZ LYS 60 3HZ LYS 60 4.966 -9.785 6.799 443 H THR 61 H THR 61 0.456 -5.480 3.470 444 HA THR 61 HA THR 61 0.217 -7.981 2.022 445 HB THR 61 HB THR 61 -1.933 -6.385 3.441 446 HG1 THR 61 HG1 THR 61 -0.416 -8.614 4.373 447 1HG2 THR 61 1HG2 THR 61 -1.863 -9.284 2.593 448 2HG2 THR 61 2HG2 THR 61 -2.797 -8.009 1.809 449 3HG2 THR 61 3HG2 THR 61 -3.173 -8.486 3.465 450 H LEU 62 H LEU 62 -0.487 -4.635 1.592 451 HA LEU 62 HA LEU 62 -2.399 -4.844 -0.476 452 1HB LEU 62 2HB LEU 62 -2.440 -2.715 0.251 453 2HB LEU 62 1HB LEU 62 -0.775 -2.766 0.789 454 HG LEU 62 HG LEU 62 -0.175 -2.500 -1.709 455 1HD1 LEU 62 1HD1 LEU 62 -3.034 -1.546 -1.739 456 2HD1 LEU 62 2HD1 LEU 62 -2.396 -2.947 -2.601 457 3HD1 LEU 62 3HD1 LEU 62 -1.856 -1.324 -3.032 458 1HD2 LEU 62 1HD2 LEU 62 -1.486 -0.234 -0.217 459 2HD2 LEU 62 2HD2 LEU 62 -0.298 -0.087 -1.513 460 3HD2 LEU 62 3HD2 LEU 62 0.163 -0.807 0.032 461 H VAL 63 H VAL 63 1.086 -4.943 -0.388 462 HA VAL 63 HA VAL 63 1.301 -4.869 -3.287 463 HB VAL 63 HB VAL 63 3.751 -5.089 -2.881 464 1HG1 VAL 63 1HG1 VAL 63 2.717 -2.897 -3.120 465 2HG1 VAL 63 2HG1 VAL 63 2.369 -2.859 -1.391 466 3HG1 VAL 63 3HG1 VAL 63 4.040 -2.837 -1.956 467 1HG2 VAL 63 1HG2 VAL 63 2.933 -4.939 0.019 468 2HG2 VAL 63 2HG2 VAL 63 3.701 -6.308 -0.784 469 3HG2 VAL 63 3HG2 VAL 63 4.585 -4.796 -0.583 470 H HIS 64 H HIS 64 1.872 -7.149 -0.622 471 HA HIS 64 HA HIS 64 2.868 -9.266 -2.167 472 1HB HIS 64 2HB HIS 64 3.059 -10.242 -0.159 473 2HB HIS 64 1HB HIS 64 2.285 -8.828 0.538 474 HD1 HIS 64 HD1 HIS 64 1.908 -12.406 0.204 475 HD2 HIS 64 HD2 HIS 64 -0.649 -9.179 0.734 476 HE1 HIS 64 HE1 HIS 64 -0.250 -13.389 1.037 477 HE2 HIS 64 HE2 HIS 64 -1.808 -11.425 1.273 478 H THR 65 H THR 65 -0.368 -8.134 -1.592 479 HA THR 65 HA THR 65 -1.647 -10.487 -2.659 480 HB THR 65 HB THR 65 -2.695 -8.941 -0.946 481 HG1 THR 65 HG1 THR 65 -4.595 -9.655 -1.638 482 1HG2 THR 65 1HG2 THR 65 -3.203 -7.226 -3.381 483 2HG2 THR 65 2HG2 THR 65 -2.124 -6.814 -2.049 484 3HG2 THR 65 3HG2 THR 65 -3.858 -6.964 -1.765 485 H ALA 66 H ALA 66 -0.374 -7.544 -3.930 486 HA ALA 66 HA ALA 66 -1.916 -7.202 -6.226 487 1HB ALA 66 1HB ALA 66 1.024 -6.631 -5.884 488 2HB ALA 66 2HB ALA 66 -0.029 -5.957 -7.129 489 3HB ALA 66 3HB ALA 66 -0.295 -5.552 -5.434 490 H LYS 67 H LYS 67 1.428 -8.264 -6.604 491 HA LYS 67 HA LYS 67 0.700 -10.737 -7.872 492 1HB LYS 67 2HB LYS 67 1.622 -10.161 -10.087 493 2HB LYS 67 1HB LYS 67 0.186 -9.223 -9.697 494 1HG LYS 67 2HG LYS 67 1.607 -7.323 -9.077 495 2HG LYS 67 1HG LYS 67 3.035 -8.266 -9.507 496 1HD LYS 67 2HD LYS 67 0.795 -7.603 -11.414 497 2HD LYS 67 1HD LYS 67 2.295 -6.683 -11.283 498 1HE LYS 67 2HE LYS 67 3.572 -8.691 -11.871 499 2HE LYS 67 1HE LYS 67 2.069 -9.604 -12.010 500 1HZ LYS 67 1HZ LYS 67 1.387 -8.138 -13.806 501 2HZ LYS 67 2HZ LYS 67 2.863 -8.880 -14.169 502 3HZ LYS 67 3HZ LYS 67 2.829 -7.263 -13.674 503 H ILE 68 H ILE 68 2.545 -9.419 -5.823 504 HA ILE 68 HA ILE 68 5.211 -9.705 -6.679 505 HB ILE 68 HB ILE 68 4.073 -9.971 -3.890 506 1HG1 ILE 68 2HG1 ILE 68 3.560 -7.812 -4.905 507 2HG1 ILE 68 1HG1 ILE 68 4.766 -7.617 -3.639 508 1HG2 ILE 68 1HG2 ILE 68 6.283 -10.953 -4.000 509 2HG2 ILE 68 2HG2 ILE 68 6.351 -9.419 -3.132 510 3HG2 ILE 68 3HG2 ILE 68 6.912 -9.514 -4.801 511 1HD1 ILE 68 1HD1 ILE 68 5.261 -7.632 -6.605 512 2HD1 ILE 68 2HD1 ILE 68 6.517 -7.532 -5.370 513 3HD1 ILE 68 3HD1 ILE 68 5.327 -6.240 -5.525 514 H SER 69 H SER 69 2.818 -12.006 -5.742 515 HA SER 69 HA SER 69 2.813 -14.270 -5.516 516 1HB SER 69 2HB SER 69 3.541 -14.159 -7.853 517 2HB SER 69 1HB SER 69 5.223 -14.041 -7.336 518 HG SER 69 HG SER 69 4.855 -16.167 -7.804 519 HA PRO 70 HA PRO 70 6.279 -14.201 -2.388 520 1HB PRO 70 2HB PRO 70 4.802 -14.106 -0.151 521 2HB PRO 70 1HB PRO 70 5.202 -12.644 -1.060 522 1HG PRO 70 2HG PRO 70 2.667 -14.233 -1.045 523 2HG PRO 70 1HG PRO 70 2.886 -12.474 -1.030 524 1HD PRO 70 2HD PRO 70 2.296 -13.922 -3.282 525 2HD PRO 70 1HD PRO 70 3.151 -12.367 -3.301 526 H GLN 71 H GLN 71 3.773 -16.184 -3.340 527 HA GLN 71 HA GLN 71 3.794 -18.194 -1.361 528 1HB GLN 71 2HB GLN 71 2.019 -17.995 -3.051 529 2HB GLN 71 1HB GLN 71 3.169 -18.419 -4.311 530 1HG GLN 71 2HG GLN 71 3.472 -20.620 -3.298 531 2HG GLN 71 1HG GLN 71 2.321 -20.193 -2.032 532 1HE2 GLN 71 1HE2 GLN 71 1.949 -19.223 -5.364 533 2HE2 GLN 71 2HE2 GLN 71 0.585 -20.225 -5.709 534 H GLN 72 H GLN 72 5.578 -17.845 -4.410 535 HA GLN 72 HA GLN 72 7.428 -18.888 -5.232 536 1HB GLN 72 2HB GLN 72 8.067 -19.176 -2.289 537 2HB GLN 72 1HB GLN 72 9.218 -19.374 -3.605 538 1HG GLN 72 2HG GLN 72 7.743 -16.839 -2.920 539 2HG GLN 72 1HG GLN 72 9.428 -17.194 -2.541 540 1HE2 GLN 72 1HE2 GLN 72 8.272 -15.042 -4.142 541 2HE2 GLN 72 2HE2 GLN 72 9.000 -15.165 -5.704 542 H ARG 73 H ARG 73 5.047 -20.491 -4.710 543 HA ARG 73 HA ARG 73 4.365 -22.655 -4.842 544 1HB ARG 73 2HB ARG 73 7.289 -23.198 -5.402 545 2HB ARG 73 1HB ARG 73 5.972 -24.330 -5.672 546 1HG ARG 73 2HG ARG 73 6.241 -21.660 -7.038 547 2HG ARG 73 1HG ARG 73 6.744 -23.205 -7.728 548 1HD ARG 73 2HD ARG 73 4.435 -24.018 -7.564 549 2HD ARG 73 1HD ARG 73 3.939 -22.464 -6.896 550 HE ARG 73 HE ARG 73 5.183 -21.940 -9.318 551 1HH1 ARG 73 1HH1 ARG 73 2.369 -23.650 -8.177 552 2HH1 ARG 73 2HH1 ARG 73 1.464 -23.390 -9.631 553 1HH2 ARG 73 1HH2 ARG 73 3.999 -21.594 -11.235 554 2HH2 ARG 73 2HH2 ARG 73 2.391 -22.222 -11.369 555 H ARG 74 H ARG 74 5.480 -25.050 -4.045 556 HA ARG 74 HA ARG 74 5.257 -24.823 -1.195 557 1HB ARG 74 2HB ARG 74 5.505 -27.287 -1.219 558 2HB ARG 74 1HB ARG 74 4.247 -26.717 -2.308 559 1HG ARG 74 2HG ARG 74 5.795 -26.957 -4.199 560 2HG ARG 74 1HG ARG 74 7.026 -27.571 -3.094 561 1HD ARG 74 2HD ARG 74 5.575 -29.444 -2.507 562 2HD ARG 74 1HD ARG 74 4.327 -28.823 -3.587 563 HE ARG 74 HE ARG 74 6.753 -29.210 -4.994 564 1HH1 ARG 74 1HH1 ARG 74 4.092 -30.964 -3.583 565 2HH1 ARG 74 2HH1 ARG 74 4.233 -32.305 -4.669 566 1HH2 ARG 74 1HH2 ARG 74 6.945 -30.972 -6.427 567 2HH2 ARG 74 2HH2 ARG 74 5.855 -32.310 -6.285 568 H GLY 75 H GLY 75 7.745 -24.032 -3.033 569 1HA GLY 75 1HA GLY 75 9.934 -25.495 -2.004 570 2HA GLY 75 2HA GLY 75 10.022 -23.909 -2.758 571 H GLU 76 H GLU 76 9.087 -22.110 -1.263 572 HA GLU 76 HA GLU 76 10.563 -22.313 1.232 573 1HB GLU 76 2HB GLU 76 9.245 -20.004 -0.193 574 2HB GLU 76 1HB GLU 76 9.960 -19.849 1.406 575 1HG GLU 76 2HG GLU 76 11.516 -19.080 -0.250 576 2HG GLU 76 1HG GLU 76 12.125 -20.564 0.482 577 HA PRO 77 HA PRO 77 6.959 -22.999 3.707 578 1HB PRO 77 2HB PRO 77 7.847 -22.121 6.110 579 2HB PRO 77 1HB PRO 77 8.401 -23.629 5.381 580 1HG PRO 77 2HG PRO 77 9.737 -20.957 5.448 581 2HG PRO 77 1HG PRO 77 10.443 -22.567 5.675 582 1HD PRO 77 2HD PRO 77 10.610 -21.180 3.338 583 2HD PRO 77 1HD PRO 77 10.602 -22.952 3.418 584 H VAL 78 H VAL 78 8.127 -20.275 5.544 585 HA VAL 78 HA VAL 78 5.594 -18.912 5.155 586 HB VAL 78 HB VAL 78 7.927 -18.136 6.912 587 1HG1 VAL 78 1HG1 VAL 78 6.277 -16.758 8.096 588 2HG1 VAL 78 2HG1 VAL 78 6.464 -16.260 6.414 589 3HG1 VAL 78 3HG1 VAL 78 5.057 -17.205 6.902 590 1HG2 VAL 78 1HG2 VAL 78 6.621 -19.105 8.749 591 2HG2 VAL 78 2HG2 VAL 78 5.414 -19.663 7.589 592 3HG2 VAL 78 3HG2 VAL 78 7.052 -20.317 7.542 593 HA PRO 79 HA PRO 79 7.283 -16.137 2.092 594 1HB PRO 79 2HB PRO 79 5.030 -14.360 2.652 595 2HB PRO 79 1HB PRO 79 5.388 -15.280 1.190 596 1HG PRO 79 2HG PRO 79 3.326 -15.900 2.821 597 2HG PRO 79 1HG PRO 79 4.222 -17.127 1.905 598 1HD PRO 79 2HD PRO 79 4.462 -16.369 4.794 599 2HD PRO 79 1HD PRO 79 4.473 -17.982 4.046 600 H GLN 80 H GLN 80 9.096 -15.274 3.041 601 HA GLN 80 HA GLN 80 8.781 -13.099 4.974 602 1HB GLN 80 2HB GLN 80 11.149 -14.711 4.043 603 2HB GLN 80 1HB GLN 80 11.331 -13.262 5.020 604 1HG GLN 80 2HG GLN 80 9.973 -14.282 6.780 605 2HG GLN 80 1HG GLN 80 9.806 -15.738 5.799 606 1HE2 GLN 80 1HE2 GLN 80 11.950 -13.811 7.736 607 2HE2 GLN 80 2HE2 GLN 80 13.198 -14.995 7.899 608 H GLU 81 H GLU 81 9.481 -13.693 1.681 609 HA GLU 81 HA GLU 81 11.054 -11.590 0.894 610 1HB GLU 81 2HB GLU 81 8.714 -12.869 -0.516 611 2HB GLU 81 1HB GLU 81 9.770 -11.694 -1.286 612 1HG GLU 81 2HG GLU 81 10.475 -13.884 -1.917 613 2HG GLU 81 1HG GLU 81 11.688 -13.193 -0.841 614 H LEU 82 H LEU 82 7.558 -11.546 1.497 615 HA LEU 82 HA LEU 82 7.071 -8.952 0.564 616 1HB LEU 82 2HB LEU 82 5.159 -9.072 2.363 617 2HB LEU 82 1HB LEU 82 5.104 -10.032 0.902 618 HG LEU 82 HG LEU 82 6.000 -11.968 2.222 619 1HD1 LEU 82 1HD1 LEU 82 5.372 -11.535 4.778 620 2HD1 LEU 82 2HD1 LEU 82 5.931 -9.919 4.346 621 3HD1 LEU 82 3HD1 LEU 82 6.998 -11.306 4.137 622 1HD2 LEU 82 1HD2 LEU 82 3.398 -10.767 3.149 623 2HD2 LEU 82 2HD2 LEU 82 3.868 -12.460 3.305 624 3HD2 LEU 82 3HD2 LEU 82 3.634 -11.755 1.706 625 H LEU 83 H LEU 83 8.258 -10.075 3.680 626 HA LEU 83 HA LEU 83 8.042 -7.514 4.948 627 1HB LEU 83 2HB LEU 83 9.298 -10.133 5.670 628 2HB LEU 83 1HB LEU 83 9.671 -8.699 6.607 629 HG LEU 83 HG LEU 83 6.855 -9.680 6.165 630 1HD1 LEU 83 1HD1 LEU 83 8.127 -11.405 7.325 631 2HD1 LEU 83 2HD1 LEU 83 6.982 -10.623 8.416 632 3HD1 LEU 83 3HD1 LEU 83 8.696 -10.213 8.493 633 1HD2 LEU 83 1HD2 LEU 83 7.069 -7.326 6.769 634 2HD2 LEU 83 2HD2 LEU 83 8.059 -7.765 8.161 635 3HD2 LEU 83 3HD2 LEU 83 6.367 -8.256 8.092 636 H ASN 84 H ASN 84 10.645 -9.363 3.433 637 HA ASN 84 HA ASN 84 12.727 -7.565 4.105 638 1HB ASN 84 2HB ASN 84 12.997 -9.966 3.377 639 2HB ASN 84 1HB ASN 84 12.659 -9.433 1.732 640 1HD2 ASN 84 1HD2 ASN 84 15.050 -10.661 2.863 641 2HD2 ASN 84 2HD2 ASN 84 16.348 -9.567 2.541 642 H ARG 85 H ARG 85 10.573 -7.805 1.315 643 HA ARG 85 HA ARG 85 11.941 -5.804 -0.199 644 1HB ARG 85 2HB ARG 85 10.135 -5.980 -1.772 645 2HB ARG 85 1HB ARG 85 10.561 -7.595 -1.226 646 1HG ARG 85 2HG ARG 85 8.645 -7.543 0.324 647 2HG ARG 85 1HG ARG 85 8.201 -5.960 -0.318 648 1HD ARG 85 2HD ARG 85 8.324 -8.564 -1.833 649 2HD ARG 85 1HD ARG 85 6.873 -7.662 -1.395 650 HE ARG 85 HE ARG 85 7.626 -5.919 -2.934 651 1HH1 ARG 85 1HH1 ARG 85 9.071 -9.078 -3.225 652 2HH1 ARG 85 2HH1 ARG 85 9.532 -8.855 -4.880 653 1HH2 ARG 85 1HH2 ARG 85 8.230 -5.619 -5.111 654 2HH2 ARG 85 2HH2 ARG 85 9.054 -6.889 -5.952 655 H VAL 86 H VAL 86 9.183 -5.791 2.002 656 HA VAL 86 HA VAL 86 8.417 -3.107 1.393 657 HB VAL 86 HB VAL 86 7.689 -4.984 3.627 658 1HG1 VAL 86 1HG1 VAL 86 7.693 -2.782 4.626 659 2HG1 VAL 86 2HG1 VAL 86 6.776 -2.131 3.268 660 3HG1 VAL 86 3HG1 VAL 86 6.029 -3.301 4.356 661 1HG2 VAL 86 1HG2 VAL 86 6.144 -3.767 1.340 662 2HG2 VAL 86 2HG2 VAL 86 6.701 -5.437 1.461 663 3HG2 VAL 86 3HG2 VAL 86 5.470 -4.835 2.570 664 H LEU 87 H LEU 87 10.302 -4.601 4.004 665 HA LEU 87 HA LEU 87 10.745 -2.215 5.448 666 1HB LEU 87 2HB LEU 87 11.317 -4.894 5.814 667 2HB LEU 87 1HB LEU 87 12.904 -4.175 5.616 668 HG LEU 87 HG LEU 87 12.313 -2.551 7.437 669 1HD1 LEU 87 1HD1 LEU 87 9.961 -4.404 7.797 670 2HD1 LEU 87 2HD1 LEU 87 9.888 -2.716 7.293 671 3HD1 LEU 87 3HD1 LEU 87 10.447 -3.129 8.914 672 1HD2 LEU 87 1HD2 LEU 87 13.703 -4.506 7.862 673 2HD2 LEU 87 2HD2 LEU 87 12.262 -5.483 8.143 674 3HD2 LEU 87 3HD2 LEU 87 12.661 -4.163 9.244 675 H ASN 88 H ASN 88 12.364 -3.722 2.741 676 HA ASN 88 HA ASN 88 14.701 -2.094 2.803 677 1HB ASN 88 2HB ASN 88 14.541 -4.309 1.649 678 2HB ASN 88 1HB ASN 88 13.509 -3.555 0.437 679 1HD2 ASN 88 1HD2 ASN 88 14.395 -2.089 -1.014 680 2HD2 ASN 88 2HD2 ASN 88 16.099 -1.970 -1.272 681 H ALA 89 H ALA 89 11.812 -2.077 0.728 682 HA ALA 89 HA ALA 89 12.376 0.186 -0.769 683 1HB ALA 89 1HB ALA 89 10.531 -1.346 -1.263 684 2HB ALA 89 2HB ALA 89 9.661 -0.753 0.153 685 3HB ALA 89 3HB ALA 89 9.984 0.329 -1.202 686 H HIS 90 H HIS 90 10.746 -0.059 2.370 687 HA HIS 90 HA HIS 90 10.074 2.648 2.648 688 1HB HIS 90 2HB HIS 90 9.114 0.954 4.102 689 2HB HIS 90 1HB HIS 90 10.701 0.569 4.758 690 HD1 HIS 90 HD1 HIS 90 10.439 1.259 7.144 691 HD2 HIS 90 HD2 HIS 90 9.170 4.200 4.499 692 HE1 HIS 90 HE1 HIS 90 9.940 3.270 8.567 693 HE2 HIS 90 HE2 HIS 90 9.252 5.064 6.937 694 H GLY 91 H GLY 91 12.843 0.852 3.993 695 1HA GLY 91 1HA GLY 91 14.213 2.978 5.134 696 2HA GLY 91 2HA GLY 91 14.980 1.525 4.507 697 H TYR 92 H TYR 92 14.061 1.949 1.793 698 HA TYR 92 HA TYR 92 16.206 3.495 0.798 699 1HB TYR 92 2HB TYR 92 15.449 1.817 -0.649 700 2HB TYR 92 1HB TYR 92 13.760 2.249 -0.426 701 HD1 TYR 92 HD1 TYR 92 12.722 3.912 -1.776 702 HD2 TYR 92 HD2 TYR 92 16.893 3.175 -2.138 703 HE1 TYR 92 HE1 TYR 92 12.763 5.228 -3.850 704 HE2 TYR 92 HE2 TYR 92 16.952 4.492 -4.214 705 HH TYR 92 HH TYR 92 14.390 6.488 -5.198 706 H TRP 93 H TRP 93 12.714 4.188 1.048 707 HA TRP 93 HA TRP 93 12.721 6.696 -0.149 708 1HB TRP 93 2HB TRP 93 11.067 5.867 2.245 709 2HB TRP 93 1HB TRP 93 10.706 7.188 1.143 710 HD1 TRP 93 HD1 TRP 93 11.418 5.313 -1.518 711 HE1 TRP 93 HE1 TRP 93 9.601 3.655 -2.272 712 HE3 TRP 93 HE3 TRP 93 8.724 5.051 2.814 713 HZ2 TRP 93 HZ2 TRP 93 7.320 2.405 -1.166 714 HZ3 TRP 93 HZ3 TRP 93 6.736 3.606 2.883 715 HH2 TRP 93 HH2 TRP 93 6.049 2.311 0.933 716 H THR 94 H THR 94 12.872 6.018 3.339 717 HA THR 94 HA THR 94 13.422 8.607 4.187 718 HB THR 94 HB THR 94 14.319 7.606 6.253 719 HG1 THR 94 HG1 THR 94 15.366 5.802 5.150 720 1HG2 THR 94 1HG2 THR 94 12.319 6.333 6.888 721 2HG2 THR 94 2HG2 THR 94 11.867 6.198 5.189 722 3HG2 THR 94 3HG2 THR 94 11.896 7.778 5.971 723 H GLN 95 H GLN 95 15.650 6.045 3.191 724 HA GLN 95 HA GLN 95 17.979 7.653 3.747 725 1HB GLN 95 2HB GLN 95 17.621 4.984 2.384 726 2HB GLN 95 1HB GLN 95 19.186 5.761 2.584 727 1HG GLN 95 2HG GLN 95 17.336 4.944 4.814 728 2HG GLN 95 1HG GLN 95 18.773 4.068 4.292 729 1HE2 GLN 95 1HE2 GLN 95 20.279 6.523 3.802 730 2HE2 GLN 95 2HE2 GLN 95 20.719 7.132 5.357 731 H GLN 96 H GLN 96 15.723 7.548 1.284 732 HA GLN 96 HA GLN 96 17.536 8.193 -0.864 733 1HB GLN 96 2HB GLN 96 15.507 6.949 -1.389 734 2HB GLN 96 1HB GLN 96 14.515 8.247 -0.741 735 1HG GLN 96 2HG GLN 96 14.540 8.278 -3.169 736 2HG GLN 96 1HG GLN 96 15.279 9.734 -2.504 737 1HE2 GLN 96 1HE2 GLN 96 16.882 6.634 -2.569 738 2HE2 GLN 96 2HE2 GLN 96 18.072 7.053 -3.750 739 H GLN 97 H GLN 97 15.655 9.802 1.526 740 HA GLN 97 HA GLN 97 15.538 11.970 2.197 741 1HB GLN 97 2HB GLN 97 17.609 12.486 0.052 742 2HB GLN 97 1HB GLN 97 17.138 13.615 1.317 743 1HG GLN 97 2HG GLN 97 17.986 12.096 3.013 744 2HG GLN 97 1HG GLN 97 18.426 10.931 1.765 745 1HE2 GLN 97 1HE2 GLN 97 20.091 12.290 3.744 746 2HE2 GLN 97 2HE2 GLN 97 21.310 13.125 2.848 747 H MET 98 H MET 98 14.187 10.758 -0.306 748 HA MET 98 HA MET 98 12.664 11.379 -1.882 749 1HB MET 98 2HB MET 98 11.729 12.355 0.291 750 2HB MET 98 1HB MET 98 12.319 13.909 -0.279 751 1HG MET 98 2HG MET 98 10.909 13.731 -2.258 752 2HG MET 98 1HG MET 98 10.332 12.158 -1.711 753 1HE MET 98 1HE MET 98 7.819 12.982 -1.958 754 2HE MET 98 2HE MET 98 8.391 14.556 -2.513 755 3HE MET 98 3HE MET 98 7.198 14.459 -1.218 756 H GLN 99 H GLN 99 15.522 12.437 -2.033 757 HA GLN 99 HA GLN 99 15.172 14.871 -3.589 758 1HB GLN 99 2HB GLN 99 17.656 13.319 -2.843 759 2HB GLN 99 1HB GLN 99 17.655 14.826 -3.748 760 1HG GLN 99 2HG GLN 99 16.606 15.953 -1.834 761 2HG GLN 99 1HG GLN 99 16.678 14.443 -0.929 762 1HE2 GLN 99 1HE2 GLN 99 19.184 15.469 -3.128 763 2HE2 GLN 99 2HE2 GLN 99 20.384 15.783 -1.927 764 H GLN 100 H GLN 100 15.141 11.558 -4.130 765 HA GLN 100 HA GLN 100 15.191 10.248 -5.989 766 1HB GLN 100 2HB GLN 100 14.673 12.888 -7.370 767 2HB GLN 100 1HB GLN 100 14.486 11.306 -8.112 768 1HG GLN 100 2HG GLN 100 12.930 12.336 -5.751 769 2HG GLN 100 1HG GLN 100 12.348 12.235 -7.412 770 1HE2 GLN 100 1HE2 GLN 100 11.870 10.223 -8.295 771 2HE2 GLN 100 2HE2 GLN 100 11.653 8.818 -7.314 772 H LEU 101 H LEU 101 17.682 11.508 -5.025 773 HA LEU 101 HA LEU 101 19.366 12.362 -7.058 774 1HB LEU 101 2HB LEU 101 19.676 12.037 -4.436 775 2HB LEU 101 1HB LEU 101 20.456 10.557 -4.953 776 HG LEU 101 HG LEU 101 22.081 12.343 -4.575 777 1HD1 LEU 101 1HD1 LEU 101 22.534 10.628 -6.277 778 2HD1 LEU 101 2HD1 LEU 101 23.295 12.173 -6.655 779 3HD1 LEU 101 3HD1 LEU 101 21.829 11.681 -7.504 780 1HD2 LEU 101 1HD2 LEU 101 22.145 14.302 -6.029 781 2HD2 LEU 101 2HD2 LEU 101 20.657 14.253 -5.086 782 3HD2 LEU 101 3HD2 LEU 101 20.637 13.794 -6.789 783 H GLN 102 H GLN 102 18.561 9.076 -6.029 784 HA GLN 102 HA GLN 102 20.273 7.929 -8.083 785 1HB GLN 102 2HB GLN 102 20.183 6.868 -5.869 786 2HB GLN 102 1HB GLN 102 18.458 6.598 -6.064 787 1HG GLN 102 2HG GLN 102 18.905 5.130 -7.966 788 2HG GLN 102 1HG GLN 102 20.634 5.395 -7.760 789 1HE2 GLN 102 1HE2 GLN 102 19.083 2.922 -7.638 790 2HE2 GLN 102 2HE2 GLN 102 19.395 2.241 -6.082 791 H GLN 103 H GLN 103 19.588 7.506 -10.068 792 HA GLN 103 HA GLN 103 16.715 7.538 -10.618 793 1HB GLN 103 2HB GLN 103 19.117 7.729 -12.437 794 2HB GLN 103 1HB GLN 103 17.462 7.650 -13.020 795 1HG GLN 103 2HG GLN 103 18.119 9.925 -13.032 796 2HG GLN 103 1HG GLN 103 16.979 9.712 -11.704 797 1HE2 GLN 103 1HE2 GLN 103 17.724 11.517 -10.615 798 2HE2 GLN 103 2HE2 GLN 103 19.254 11.552 -9.814 799 H ASN 104 H ASN 104 19.035 5.306 -9.924 800 HA ASN 104 HA ASN 104 18.340 3.285 -11.843 801 1HB ASN 104 2HB ASN 104 20.569 3.330 -10.814 802 2HB ASN 104 1HB ASN 104 19.848 3.062 -9.229 803 1HD2 ASN 104 1HD2 ASN 104 18.725 1.525 -12.158 804 2HD2 ASN 104 2HD2 ASN 104 19.231 -0.073 -11.743 805 H VAL 105 H VAL 105 16.030 3.320 -11.568 806 HA VAL 105 HA VAL 105 15.185 1.603 -9.342 807 HB VAL 105 HB VAL 105 14.447 3.743 -8.629 808 1HG1 VAL 105 1HG1 VAL 105 13.229 4.157 -11.356 809 2HG1 VAL 105 2HG1 VAL 105 13.166 5.281 -9.998 810 3HG1 VAL 105 3HG1 VAL 105 14.710 4.915 -10.770 811 1HG2 VAL 105 1HG2 VAL 105 12.800 1.950 -8.389 812 2HG2 VAL 105 2HG2 VAL 105 12.021 3.515 -8.624 813 3HG2 VAL 105 3HG2 VAL 105 12.114 2.369 -9.960 Start of MODEL 14 1 H GLN 9 H GLN 9 -27.771 6.943 2.214 2 HA GLN 9 HA GLN 9 -29.221 9.264 3.196 3 1HB GLN 9 2HB GLN 9 -26.303 8.509 3.443 4 2HB GLN 9 1HB GLN 9 -27.067 9.881 4.236 5 1HG GLN 9 2HG GLN 9 -28.516 8.358 5.479 6 2HG GLN 9 1HG GLN 9 -27.748 6.984 4.686 7 1HE2 GLN 9 1HE2 GLN 9 -27.039 6.116 6.624 8 2HE2 GLN 9 2HE2 GLN 9 -25.745 6.812 7.532 9 H ARG 10 H ARG 10 -28.324 8.528 0.269 10 HA ARG 10 HA ARG 10 -27.758 9.655 -1.620 11 1HB ARG 10 2HB ARG 10 -28.399 12.064 0.090 12 2HB ARG 10 1HB ARG 10 -28.192 12.094 -1.655 13 1HG ARG 10 2HG ARG 10 -30.305 10.527 -0.189 14 2HG ARG 10 1HG ARG 10 -30.552 12.087 -0.975 15 1HD ARG 10 2HD ARG 10 -29.707 9.523 -2.323 16 2HD ARG 10 1HD ARG 10 -31.305 10.263 -2.403 17 HE ARG 10 HE ARG 10 -29.574 12.192 -3.297 18 1HH1 ARG 10 1HH1 ARG 10 -30.364 8.926 -4.220 19 2HH1 ARG 10 2HH1 ARG 10 -30.004 9.176 -5.896 20 1HH2 ARG 10 1HH2 ARG 10 -29.099 12.530 -5.501 21 2HH2 ARG 10 2HH2 ARG 10 -29.284 11.225 -6.623 22 H ARG 11 H ARG 11 -25.749 9.179 0.609 23 HA ARG 11 HA ARG 11 -23.793 11.274 0.028 24 1HB ARG 11 2HB ARG 11 -24.110 10.617 2.375 25 2HB ARG 11 1HB ARG 11 -23.673 8.961 1.976 26 1HG ARG 11 2HG ARG 11 -21.432 9.692 1.357 27 2HG ARG 11 1HG ARG 11 -21.868 11.360 1.735 28 1HD ARG 11 2HD ARG 11 -22.284 10.726 4.058 29 2HD ARG 11 1HD ARG 11 -21.857 9.058 3.682 30 HE ARG 11 HE ARG 11 -19.697 10.606 2.922 31 1HH1 ARG 11 1HH1 ARG 11 -21.431 9.902 5.863 32 2HH1 ARG 11 2HH1 ARG 11 -20.048 10.120 6.883 33 1HH2 ARG 11 1HH2 ARG 11 -17.871 10.894 4.258 34 2HH2 ARG 11 2HH2 ARG 11 -18.026 10.685 5.971 35 H ILE 12 H ILE 12 -22.764 10.953 -1.844 36 HA ILE 12 HA ILE 12 -22.026 8.240 -2.648 37 HB ILE 12 HB ILE 12 -21.864 10.848 -4.166 38 1HG1 ILE 12 2HG1 ILE 12 -23.586 9.552 -5.608 39 2HG1 ILE 12 1HG1 ILE 12 -23.786 8.535 -4.186 40 1HG2 ILE 12 1HG2 ILE 12 -21.210 8.045 -5.061 41 2HG2 ILE 12 2HG2 ILE 12 -20.079 9.387 -4.884 42 3HG2 ILE 12 3HG2 ILE 12 -21.331 9.446 -6.125 43 1HD1 ILE 12 1HD1 ILE 12 -24.481 10.448 -2.882 44 2HD1 ILE 12 2HD1 ILE 12 -25.476 10.295 -4.329 45 3HD1 ILE 12 3HD1 ILE 12 -24.202 11.514 -4.261 46 H ARG 13 H ARG 13 -20.022 7.473 -2.480 47 HA ARG 13 HA ARG 13 -17.875 9.351 -1.756 48 1HB ARG 13 2HB ARG 13 -16.763 7.410 -0.707 49 2HB ARG 13 1HB ARG 13 -18.341 7.736 -0.002 50 1HG ARG 13 2HG ARG 13 -19.306 5.926 -1.343 51 2HG ARG 13 1HG ARG 13 -17.710 5.592 -2.020 52 1HD ARG 13 2HD ARG 13 -16.866 5.088 0.221 53 2HD ARG 13 1HD ARG 13 -18.458 5.428 0.898 54 HE ARG 13 HE ARG 13 -18.650 3.444 -1.105 55 1HH1 ARG 13 1HH1 ARG 13 -17.555 3.924 2.167 56 2HH1 ARG 13 2HH1 ARG 13 -17.803 2.274 2.629 57 1HH2 ARG 13 1HH2 ARG 13 -18.980 1.269 -0.506 58 2HH2 ARG 13 2HH2 ARG 13 -18.613 0.764 1.109 59 H ARG 14 H ARG 14 -15.671 7.830 -2.195 60 HA ARG 14 HA ARG 14 -15.616 7.721 -5.110 61 1HB ARG 14 2HB ARG 14 -13.377 7.660 -3.080 62 2HB ARG 14 1HB ARG 14 -13.150 7.644 -4.823 63 1HG ARG 14 2HG ARG 14 -14.251 9.837 -4.968 64 2HG ARG 14 1HG ARG 14 -14.406 9.854 -3.210 65 1HD ARG 14 2HD ARG 14 -11.979 9.758 -2.988 66 2HD ARG 14 1HD ARG 14 -11.811 9.705 -4.741 67 HE ARG 14 HE ARG 14 -13.279 11.992 -3.906 68 1HH1 ARG 14 1HH1 ARG 14 -10.053 10.696 -4.143 69 2HH1 ARG 14 2HH1 ARG 14 -9.298 12.250 -4.254 70 1HH2 ARG 14 1HH2 ARG 14 -12.294 14.043 -4.052 71 2HH2 ARG 14 2HH2 ARG 14 -10.572 14.153 -4.201 72 HA PRO 15 HA PRO 15 -15.595 3.274 -5.026 73 1HB PRO 15 2HB PRO 15 -15.005 2.789 -7.597 74 2HB PRO 15 1HB PRO 15 -16.563 3.475 -7.118 75 1HG PRO 15 2HG PRO 15 -14.147 4.851 -8.227 76 2HG PRO 15 1HG PRO 15 -15.856 5.095 -8.628 77 1HD PRO 15 2HD PRO 15 -14.445 6.711 -6.925 78 2HD PRO 15 1HD PRO 15 -16.203 6.483 -6.839 79 H PHE 16 H PHE 16 -12.890 5.184 -5.232 80 HA PHE 16 HA PHE 16 -10.918 3.355 -6.101 81 1HB PHE 16 2HB PHE 16 -10.790 5.846 -4.410 82 2HB PHE 16 1HB PHE 16 -9.355 4.904 -4.798 83 HD1 PHE 16 HD1 PHE 16 -11.952 7.109 -6.119 84 HD2 PHE 16 HD2 PHE 16 -8.460 4.856 -7.034 85 HE1 PHE 16 HE1 PHE 16 -11.744 8.308 -8.258 86 HE2 PHE 16 HE2 PHE 16 -8.245 6.051 -9.174 87 HZ PHE 16 HZ PHE 16 -9.890 7.781 -9.788 88 H SER 17 H SER 17 -9.981 1.701 -5.123 89 HA SER 17 HA SER 17 -10.089 1.497 -2.199 90 1HB SER 17 2HB SER 17 -10.809 -0.730 -4.121 91 2HB SER 17 1HB SER 17 -10.666 -0.901 -2.372 92 HG SER 17 HG SER 17 -12.773 -0.524 -2.635 93 H VAL 18 H VAL 18 -8.780 -0.781 -1.738 94 HA VAL 18 HA VAL 18 -6.109 -0.184 -2.097 95 HB VAL 18 HB VAL 18 -6.932 -1.795 -0.429 96 1HG1 VAL 18 1HG1 VAL 18 -7.415 -4.107 -1.086 97 2HG1 VAL 18 2HG1 VAL 18 -8.561 -2.972 -1.800 98 3HG1 VAL 18 3HG1 VAL 18 -7.264 -3.652 -2.784 99 1HG2 VAL 18 1HG2 VAL 18 -4.843 -2.928 -2.292 100 2HG2 VAL 18 2HG2 VAL 18 -4.561 -1.770 -0.993 101 3HG2 VAL 18 3HG2 VAL 18 -5.094 -3.408 -0.614 102 H ALA 19 H ALA 19 -8.306 -1.680 -4.298 103 HA ALA 19 HA ALA 19 -6.585 -3.122 -5.942 104 1HB ALA 19 1HB ALA 19 -9.024 -3.205 -6.139 105 2HB ALA 19 2HB ALA 19 -9.030 -1.555 -6.764 106 3HB ALA 19 3HB ALA 19 -8.265 -2.847 -7.689 107 H GLU 20 H GLU 20 -7.710 0.238 -6.400 108 HA GLU 20 HA GLU 20 -5.866 0.780 -8.494 109 1HB GLU 20 2HB GLU 20 -7.967 2.040 -8.209 110 2HB GLU 20 1HB GLU 20 -7.361 2.705 -6.699 111 1HG GLU 20 2HG GLU 20 -7.154 4.316 -8.491 112 2HG GLU 20 1HG GLU 20 -5.563 3.828 -7.908 113 H VAL 21 H VAL 21 -5.829 1.154 -5.017 114 HA VAL 21 HA VAL 21 -3.637 2.826 -4.685 115 HB VAL 21 HB VAL 21 -4.453 0.484 -2.952 116 1HG1 VAL 21 1HG1 VAL 21 -2.184 1.185 -2.444 117 2HG1 VAL 21 2HG1 VAL 21 -2.710 2.865 -2.323 118 3HG1 VAL 21 3HG1 VAL 21 -3.276 1.675 -1.150 119 1HG2 VAL 21 1HG2 VAL 21 -5.119 3.398 -2.599 120 2HG2 VAL 21 2HG2 VAL 21 -6.188 2.243 -3.392 121 3HG2 VAL 21 3HG2 VAL 21 -5.758 2.023 -1.697 122 H GLU 22 H GLU 22 -3.790 -0.494 -5.686 123 HA GLU 22 HA GLU 22 -1.257 -1.428 -5.082 124 1HB GLU 22 2HB GLU 22 -3.096 -2.746 -6.147 125 2HB GLU 22 1HB GLU 22 -2.746 -1.930 -7.664 126 1HG GLU 22 2HG GLU 22 -0.493 -2.871 -7.654 127 2HG GLU 22 1HG GLU 22 -0.844 -3.691 -6.134 128 H ALA 23 H ALA 23 -2.277 0.245 -8.048 129 HA ALA 23 HA ALA 23 0.341 0.494 -9.111 130 1HB ALA 23 1HB ALA 23 -1.489 0.609 -10.623 131 2HB ALA 23 2HB ALA 23 -2.233 1.932 -9.723 132 3HB ALA 23 3HB ALA 23 -0.736 2.204 -10.611 133 H LEU 24 H LEU 24 -1.700 2.573 -7.136 134 HA LEU 24 HA LEU 24 -0.263 4.944 -7.231 135 1HB LEU 24 2HB LEU 24 -2.427 4.791 -6.158 136 2HB LEU 24 1HB LEU 24 -1.785 3.710 -4.936 137 HG LEU 24 HG LEU 24 -0.275 5.613 -4.212 138 1HD1 LEU 24 1HD1 LEU 24 -0.435 6.962 -6.232 139 2HD1 LEU 24 2HD1 LEU 24 -0.984 7.870 -4.825 140 3HD1 LEU 24 3HD1 LEU 24 -2.160 7.195 -5.953 141 1HD2 LEU 24 1HD2 LEU 24 -3.259 5.986 -3.979 142 2HD2 LEU 24 2HD2 LEU 24 -2.042 6.701 -2.921 143 3HD2 LEU 24 3HD2 LEU 24 -2.258 4.950 -2.960 144 H VAL 25 H VAL 25 -0.011 2.440 -4.707 145 HA VAL 25 HA VAL 25 2.266 3.506 -3.473 146 HB VAL 25 HB VAL 25 2.512 1.349 -2.369 147 1HG1 VAL 25 1HG1 VAL 25 -0.364 2.204 -2.647 148 2HG1 VAL 25 2HG1 VAL 25 0.284 1.200 -1.350 149 3HG1 VAL 25 3HG1 VAL 25 0.823 2.870 -1.527 150 1HG2 VAL 25 1HG2 VAL 25 0.955 -0.502 -2.929 151 2HG2 VAL 25 2HG2 VAL 25 0.463 0.399 -4.362 152 3HG2 VAL 25 3HG2 VAL 25 2.127 -0.159 -4.200 153 H GLN 26 H GLN 26 1.873 1.508 -6.285 154 HA GLN 26 HA GLN 26 4.524 0.506 -6.427 155 1HB GLN 26 2HB GLN 26 2.645 -0.481 -7.691 156 2HB GLN 26 1HB GLN 26 2.530 0.985 -8.654 157 1HG GLN 26 2HG GLN 26 4.778 0.587 -9.527 158 2HG GLN 26 1HG GLN 26 4.888 -0.885 -8.563 159 1HE2 GLN 26 1HE2 GLN 26 5.161 -2.184 -10.365 160 2HE2 GLN 26 2HE2 GLN 26 3.870 -2.534 -11.458 161 H ALA 27 H ALA 27 3.050 3.518 -7.143 162 HA ALA 27 HA ALA 27 5.248 4.475 -8.775 163 1HB ALA 27 1HB ALA 27 3.971 6.540 -8.937 164 2HB ALA 27 2HB ALA 27 2.958 5.147 -9.317 165 3HB ALA 27 3HB ALA 27 2.819 5.936 -7.745 166 H VAL 28 H VAL 28 4.136 4.658 -5.466 167 HA VAL 28 HA VAL 28 5.939 6.828 -4.798 168 HB VAL 28 HB VAL 28 5.048 6.786 -2.612 169 1HG1 VAL 28 1HG1 VAL 28 2.626 6.883 -2.985 170 2HG1 VAL 28 2HG1 VAL 28 3.525 7.683 -4.273 171 3HG1 VAL 28 3HG1 VAL 28 2.841 6.080 -4.539 172 1HG2 VAL 28 1HG2 VAL 28 5.199 4.457 -2.074 173 2HG2 VAL 28 2HG2 VAL 28 3.528 4.967 -1.831 174 3HG2 VAL 28 3HG2 VAL 28 3.972 4.050 -3.270 175 H GLU 29 H GLU 29 6.092 3.390 -4.865 176 HA GLU 29 HA GLU 29 7.922 2.962 -2.769 177 1HB GLU 29 2HB GLU 29 8.540 0.881 -4.122 178 2HB GLU 29 1HB GLU 29 6.875 1.035 -3.583 179 1HG GLU 29 2HG GLU 29 6.119 1.594 -5.731 180 2HG GLU 29 1HG GLU 29 7.752 1.891 -6.319 181 H LYS 30 H LYS 30 8.353 4.657 -5.635 182 HA LYS 30 HA LYS 30 11.249 4.147 -5.636 183 1HB LYS 30 2HB LYS 30 11.256 5.177 -7.882 184 2HB LYS 30 1HB LYS 30 10.223 3.756 -7.791 185 1HG LYS 30 2HG LYS 30 8.259 5.072 -7.781 186 2HG LYS 30 1HG LYS 30 9.175 6.559 -7.525 187 1HD LYS 30 2HD LYS 30 8.498 6.458 -9.830 188 2HD LYS 30 1HD LYS 30 10.242 6.211 -9.745 189 1HE LYS 30 2HE LYS 30 9.907 3.794 -9.938 190 2HE LYS 30 1HE LYS 30 8.164 4.041 -10.016 191 1HZ LYS 30 1HZ LYS 30 10.144 5.056 -11.984 192 2HZ LYS 30 2HZ LYS 30 8.471 5.293 -12.061 193 3HZ LYS 30 3HZ LYS 30 9.112 3.735 -12.214 194 H LEU 31 H LEU 31 8.844 6.754 -5.567 195 HA LEU 31 HA LEU 31 10.992 8.570 -4.684 196 1HB LEU 31 2HB LEU 31 9.496 10.404 -5.654 197 2HB LEU 31 1HB LEU 31 10.409 9.412 -6.773 198 HG LEU 31 HG LEU 31 8.268 8.020 -7.022 199 1HD1 LEU 31 1HD1 LEU 31 7.059 8.857 -5.103 200 2HD1 LEU 31 2HD1 LEU 31 6.185 9.252 -6.584 201 3HD1 LEU 31 3HD1 LEU 31 7.116 10.497 -5.749 202 1HD2 LEU 31 1HD2 LEU 31 9.130 9.491 -8.759 203 2HD2 LEU 31 2HD2 LEU 31 8.333 10.870 -8.004 204 3HD2 LEU 31 3HD2 LEU 31 7.369 9.563 -8.693 205 H GLY 32 H GLY 32 9.224 6.876 -3.075 206 1HA GLY 32 1HA GLY 32 7.286 8.651 -1.867 207 2HA GLY 32 2HA GLY 32 7.678 7.019 -1.343 208 H THR 33 H THR 33 7.403 8.241 0.764 209 HA THR 33 HA THR 33 10.064 8.956 1.722 210 HB THR 33 HB THR 33 7.670 10.733 2.238 211 HG1 THR 33 HG1 THR 33 8.641 10.914 0.102 212 1HG2 THR 33 1HG2 THR 33 9.213 10.636 4.131 213 2HG2 THR 33 2HG2 THR 33 9.303 12.207 3.332 214 3HG2 THR 33 3HG2 THR 33 10.565 11.005 3.061 215 H GLY 34 H GLY 34 6.723 8.075 2.392 216 1HA GLY 34 1HA GLY 34 7.445 6.336 4.496 217 2HA GLY 34 2HA GLY 34 6.853 7.847 5.172 218 H ARG 35 H ARG 35 5.623 6.680 2.146 219 HA ARG 35 HA ARG 35 3.459 6.320 1.496 220 1HB ARG 35 2HB ARG 35 2.567 4.215 2.298 221 2HB ARG 35 1HB ARG 35 4.301 4.075 2.061 222 1HG ARG 35 2HG ARG 35 4.615 4.378 4.496 223 2HG ARG 35 1HG ARG 35 2.862 4.393 4.686 224 1HD ARG 35 2HD ARG 35 3.759 2.187 5.173 225 2HD ARG 35 1HD ARG 35 2.747 2.141 3.730 226 HE ARG 35 HE ARG 35 4.857 2.158 2.436 227 1HH1 ARG 35 1HH1 ARG 35 4.897 1.135 5.768 228 2HH1 ARG 35 2HH1 ARG 35 6.309 0.150 5.583 229 1HH2 ARG 35 1HH2 ARG 35 6.716 0.860 2.185 230 2HH2 ARG 35 2HH2 ARG 35 7.344 -0.005 3.548 231 H TRP 36 H TRP 36 3.747 8.343 3.611 232 HA TRP 36 HA TRP 36 1.556 8.055 5.419 233 1HB TRP 36 2HB TRP 36 1.970 10.546 5.793 234 2HB TRP 36 1HB TRP 36 3.304 9.457 6.162 235 HD1 TRP 36 HD1 TRP 36 5.437 9.530 4.539 236 HE1 TRP 36 HE1 TRP 36 6.290 11.336 2.921 237 HE3 TRP 36 HE3 TRP 36 1.195 12.361 4.180 238 HZ2 TRP 36 HZ2 TRP 36 5.296 13.659 1.657 239 HZ3 TRP 36 HZ3 TRP 36 1.230 14.360 2.746 240 HH2 TRP 36 HH2 TRP 36 3.239 14.995 1.511 241 H ARG 37 H ARG 37 2.051 9.800 2.371 242 HA ARG 37 HA ARG 37 -0.492 11.041 2.329 243 1HB ARG 37 2HB ARG 37 -0.033 11.332 -0.112 244 2HB ARG 37 1HB ARG 37 1.262 11.904 0.930 245 1HG ARG 37 2HG ARG 37 2.502 9.832 0.508 246 2HG ARG 37 1HG ARG 37 1.211 9.289 -0.564 247 1HD ARG 37 2HD ARG 37 2.860 11.787 -0.940 248 2HD ARG 37 1HD ARG 37 3.113 10.263 -1.788 249 HE ARG 37 HE ARG 37 0.449 11.215 -2.107 250 1HH1 ARG 37 1HH1 ARG 37 3.720 11.649 -3.230 251 2HH1 ARG 37 2HH1 ARG 37 3.243 12.261 -4.778 252 1HH2 ARG 37 1HH2 ARG 37 -0.187 12.020 -4.143 253 2HH2 ARG 37 2HH2 ARG 37 1.023 12.473 -5.297 254 H ASP 38 H ASP 38 0.703 7.926 1.302 255 HA ASP 38 HA ASP 38 -1.529 7.147 -0.247 256 1HB ASP 38 2HB ASP 38 0.484 5.440 1.235 257 2HB ASP 38 1HB ASP 38 -0.640 4.855 0.011 258 H VAL 39 H VAL 39 -0.603 6.235 3.081 259 HA VAL 39 HA VAL 39 -2.916 4.798 3.686 260 HB VAL 39 HB VAL 39 -0.976 4.657 5.121 261 1HG1 VAL 39 1HG1 VAL 39 -0.286 6.487 6.573 262 2HG1 VAL 39 2HG1 VAL 39 -0.185 6.958 4.878 263 3HG1 VAL 39 3HG1 VAL 39 -1.527 7.526 5.872 264 1HG2 VAL 39 1HG2 VAL 39 -2.037 4.917 7.324 265 2HG2 VAL 39 2HG2 VAL 39 -3.330 5.856 6.579 266 3HG2 VAL 39 3HG2 VAL 39 -3.115 4.159 6.154 267 H LYS 40 H LYS 40 -2.347 8.241 3.647 268 HA LYS 40 HA LYS 40 -4.595 8.980 5.209 269 1HB LYS 40 2HB LYS 40 -2.820 10.440 3.281 270 2HB LYS 40 1HB LYS 40 -4.239 11.218 3.964 271 1HG LYS 40 2HG LYS 40 -3.375 10.890 6.206 272 2HG LYS 40 1HG LYS 40 -1.976 10.033 5.558 273 1HD LYS 40 2HD LYS 40 -1.325 12.290 6.058 274 2HD LYS 40 1HD LYS 40 -1.369 12.097 4.305 275 1HE LYS 40 2HE LYS 40 -2.369 14.216 4.982 276 2HE LYS 40 1HE LYS 40 -3.565 13.159 4.235 277 1HZ LYS 40 1HZ LYS 40 -4.353 12.555 6.439 278 2HZ LYS 40 2HZ LYS 40 -4.446 14.228 6.211 279 3HZ LYS 40 3HZ LYS 40 -3.205 13.571 7.155 280 H LEU 41 H LEU 41 -4.080 8.842 1.680 281 HA LEU 41 HA LEU 41 -6.999 9.053 1.358 282 1HB LEU 41 2HB LEU 41 -4.752 9.926 -0.443 283 2HB LEU 41 1HB LEU 41 -6.396 9.749 -1.025 284 HG LEU 41 HG LEU 41 -7.072 11.402 0.790 285 1HD1 LEU 41 1HD1 LEU 41 -5.115 11.280 2.190 286 2HD1 LEU 41 2HD1 LEU 41 -5.275 12.915 1.552 287 3HD1 LEU 41 3HD1 LEU 41 -4.087 11.809 0.860 288 1HD2 LEU 41 1HD2 LEU 41 -5.234 12.328 -1.414 289 2HD2 LEU 41 2HD2 LEU 41 -6.405 13.330 -0.559 290 3HD2 LEU 41 3HD2 LEU 41 -6.958 11.994 -1.569 291 H CYS 42 H CYS 42 -5.348 6.604 1.824 292 HA CYS 42 HA CYS 42 -4.975 5.089 -0.466 293 1HB CYS 42 2HB CYS 42 -4.279 4.323 1.755 294 2HB CYS 42 1HB CYS 42 -5.962 4.164 2.243 295 HG CYS 42 HG CYS 42 -6.232 1.733 1.484 296 H ALA 43 H ALA 43 -7.864 5.480 1.508 297 HA ALA 43 HA ALA 43 -9.703 5.447 -0.594 298 1HB ALA 43 1HB ALA 43 -10.713 3.220 -0.349 299 2HB ALA 43 2HB ALA 43 -9.049 3.125 -0.928 300 3HB ALA 43 3HB ALA 43 -9.418 2.764 0.758 301 H PHE 44 H PHE 44 -9.083 6.583 2.080 302 HA PHE 44 HA PHE 44 -10.194 7.466 3.835 303 1HB PHE 44 2HB PHE 44 -12.662 6.276 2.540 304 2HB PHE 44 1HB PHE 44 -12.641 7.474 3.827 305 HD1 PHE 44 HD1 PHE 44 -12.324 6.890 0.271 306 HD2 PHE 44 HD2 PHE 44 -11.879 9.772 3.371 307 HE1 PHE 44 HE1 PHE 44 -12.294 8.687 -1.409 308 HE2 PHE 44 HE2 PHE 44 -11.850 11.574 1.696 309 HZ PHE 44 HZ PHE 44 -12.062 11.035 -0.696 310 H GLU 45 H GLU 45 -9.375 4.554 3.361 311 HA GLU 45 HA GLU 45 -10.949 3.155 5.323 312 1HB GLU 45 2HB GLU 45 -8.542 2.295 3.715 313 2HB GLU 45 1HB GLU 45 -9.412 1.249 4.829 314 1HG GLU 45 2HG GLU 45 -10.571 2.550 2.375 315 2HG GLU 45 1HG GLU 45 -10.068 0.866 2.514 316 H ASP 46 H ASP 46 -7.582 4.217 4.965 317 HA ASP 46 HA ASP 46 -7.276 3.916 7.881 318 1HB ASP 46 2HB ASP 46 -5.150 3.773 5.735 319 2HB ASP 46 1HB ASP 46 -4.854 3.659 7.467 320 H ALA 47 H ALA 47 -8.319 6.207 6.309 321 HA ALA 47 HA ALA 47 -6.408 8.271 6.178 322 1HB ALA 47 1HB ALA 47 -8.572 8.377 5.037 323 2HB ALA 47 2HB ALA 47 -9.388 8.497 6.596 324 3HB ALA 47 3HB ALA 47 -8.312 9.788 6.062 325 H ASP 48 H ASP 48 -7.861 6.746 8.843 326 HA ASP 48 HA ASP 48 -7.435 9.027 10.624 327 1HB ASP 48 2HB ASP 48 -9.537 7.737 10.830 328 2HB ASP 48 1HB ASP 48 -8.601 6.296 11.217 329 H HIS 49 H HIS 49 -5.728 6.453 9.415 330 HA HIS 49 HA HIS 49 -3.731 5.496 9.908 331 1HB HIS 49 2HB HIS 49 -3.524 7.688 11.983 332 2HB HIS 49 1HB HIS 49 -2.197 6.684 11.408 333 HD1 HIS 49 HD1 HIS 49 -1.043 7.395 9.282 334 HD2 HIS 49 HD2 HIS 49 -4.512 9.557 10.036 335 HE1 HIS 49 HE1 HIS 49 -1.044 9.270 7.605 336 HE2 HIS 49 HE2 HIS 49 -3.106 10.615 8.139 337 H ARG 50 H ARG 50 -4.065 3.521 10.700 338 HA ARG 50 HA ARG 50 -5.173 3.115 13.338 339 1HB ARG 50 2HB ARG 50 -5.825 1.647 11.486 340 2HB ARG 50 1HB ARG 50 -4.158 1.130 11.295 341 1HG ARG 50 2HG ARG 50 -5.247 -0.593 12.464 342 2HG ARG 50 1HG ARG 50 -4.280 0.267 13.663 343 1HD ARG 50 2HD ARG 50 -7.201 0.818 13.180 344 2HD ARG 50 1HD ARG 50 -6.619 -0.338 14.376 345 HE ARG 50 HE ARG 50 -5.326 2.079 14.855 346 1HH1 ARG 50 1HH1 ARG 50 -8.566 0.796 14.920 347 2HH1 ARG 50 2HH1 ARG 50 -9.105 1.876 16.163 348 1HH2 ARG 50 1HH2 ARG 50 -6.028 3.502 16.491 349 2HH2 ARG 50 2HH2 ARG 50 -7.663 3.414 17.056 350 H THR 51 H THR 51 -2.266 1.763 11.768 351 HA THR 51 HA THR 51 -0.606 2.502 14.015 352 HB THR 51 HB THR 51 -0.902 -0.439 13.398 353 HG1 THR 51 HG1 THR 51 -1.805 0.734 15.796 354 1HG2 THR 51 1HG2 THR 51 0.330 -0.698 15.524 355 2HG2 THR 51 2HG2 THR 51 0.494 1.056 15.618 356 3HG2 THR 51 3HG2 THR 51 1.263 0.168 14.304 357 H TYR 52 H TYR 52 1.649 2.175 13.594 358 HA TYR 52 HA TYR 52 2.370 2.577 10.921 359 1HB TYR 52 2HB TYR 52 4.656 2.583 11.649 360 2HB TYR 52 1HB TYR 52 3.680 3.398 12.859 361 HD1 TYR 52 HD1 TYR 52 2.702 1.313 14.601 362 HD2 TYR 52 HD2 TYR 52 6.458 1.585 12.622 363 HE1 TYR 52 HE1 TYR 52 3.715 -0.075 16.351 364 HE2 TYR 52 HE2 TYR 52 7.479 0.186 14.364 365 HH TYR 52 HH TYR 52 5.665 -1.565 16.620 366 H VAL 53 H VAL 53 2.668 -0.356 12.930 367 HA VAL 53 HA VAL 53 3.823 -1.855 10.765 368 HB VAL 53 HB VAL 53 2.705 -2.813 13.404 369 1HG1 VAL 53 1HG1 VAL 53 4.370 -4.297 11.368 370 2HG1 VAL 53 2HG1 VAL 53 3.863 -4.910 12.943 371 3HG1 VAL 53 3HG1 VAL 53 2.659 -4.579 11.696 372 1HG2 VAL 53 1HG2 VAL 53 4.971 -2.919 14.147 373 2HG2 VAL 53 2HG2 VAL 53 5.575 -2.521 12.538 374 3HG2 VAL 53 3HG2 VAL 53 4.703 -1.311 13.476 375 H ASP 54 H ASP 54 0.599 -1.392 12.086 376 HA ASP 54 HA ASP 54 -0.624 -3.551 10.702 377 1HB ASP 54 2HB ASP 54 -1.738 -1.010 11.893 378 2HB ASP 54 1HB ASP 54 -2.756 -2.221 11.117 379 H LEU 55 H LEU 55 -0.263 -0.106 9.970 380 HA LEU 55 HA LEU 55 -1.681 -0.148 7.532 381 1HB LEU 55 2HB LEU 55 -1.235 1.925 8.719 382 2HB LEU 55 1HB LEU 55 0.490 1.704 8.525 383 HG LEU 55 HG LEU 55 -0.741 3.400 7.016 384 1HD1 LEU 55 1HD1 LEU 55 0.822 3.058 5.235 385 2HD1 LEU 55 2HD1 LEU 55 1.052 1.373 5.701 386 3HD1 LEU 55 3HD1 LEU 55 1.609 2.666 6.763 387 1HD2 LEU 55 1HD2 LEU 55 -1.658 2.515 4.960 388 2HD2 LEU 55 2HD2 LEU 55 -2.550 1.873 6.338 389 3HD2 LEU 55 3HD2 LEU 55 -1.365 0.865 5.507 390 H LYS 56 H LYS 56 1.826 -0.203 8.198 391 HA LYS 56 HA LYS 56 2.672 -0.544 5.565 392 1HB LYS 56 2HB LYS 56 4.775 -1.105 6.423 393 2HB LYS 56 1HB LYS 56 4.073 -0.113 7.693 394 1HG LYS 56 2HG LYS 56 4.840 -1.799 8.983 395 2HG LYS 56 1HG LYS 56 3.277 -2.499 8.554 396 1HD LYS 56 2HD LYS 56 4.234 -3.887 6.907 397 2HD LYS 56 1HD LYS 56 5.757 -3.002 6.934 398 1HE LYS 56 2HE LYS 56 6.173 -3.795 9.212 399 2HE LYS 56 1HE LYS 56 4.647 -4.676 9.184 400 1HZ LYS 56 1HZ LYS 56 6.960 -5.171 7.387 401 2HZ LYS 56 2HZ LYS 56 5.496 -6.017 7.362 402 3HZ LYS 56 3HZ LYS 56 6.514 -6.128 8.708 403 H ASP 57 H ASP 57 1.295 -2.776 7.845 404 HA ASP 57 HA ASP 57 2.027 -5.196 6.609 405 1HB ASP 57 2HB ASP 57 0.979 -4.904 8.908 406 2HB ASP 57 1HB ASP 57 -0.562 -4.701 8.085 407 H LYS 58 H LYS 58 -0.765 -3.070 6.253 408 HA LYS 58 HA LYS 58 -2.188 -4.574 4.375 409 1HB LYS 58 2HB LYS 58 -2.044 -1.567 4.679 410 2HB LYS 58 1HB LYS 58 -3.263 -2.431 3.755 411 1HG LYS 58 2HG LYS 58 -2.820 -2.721 6.718 412 2HG LYS 58 1HG LYS 58 -4.061 -1.716 5.968 413 1HD LYS 58 2HD LYS 58 -5.044 -3.703 4.933 414 2HD LYS 58 1HD LYS 58 -3.796 -4.708 5.672 415 1HE LYS 58 2HE LYS 58 -4.587 -4.049 7.894 416 2HE LYS 58 1HE LYS 58 -5.834 -3.046 7.151 417 1HZ LYS 58 1HZ LYS 58 -6.793 -5.035 6.166 418 2HZ LYS 58 2HZ LYS 58 -6.717 -5.182 7.848 419 3HZ LYS 58 3HZ LYS 58 -5.595 -5.995 6.879 420 H TRP 59 H TRP 59 0.549 -2.425 4.053 421 HA TRP 59 HA TRP 59 0.460 -2.430 1.156 422 1HB TRP 59 2HB TRP 59 1.516 -0.495 1.592 423 2HB TRP 59 1HB TRP 59 1.861 -0.975 3.245 424 HD1 TRP 59 HD1 TRP 59 4.190 -2.511 3.536 425 HE1 TRP 59 HE1 TRP 59 6.438 -2.219 2.311 426 HE3 TRP 59 HE3 TRP 59 2.577 0.165 -0.513 427 HZ2 TRP 59 HZ2 TRP 59 7.397 -1.024 -0.057 428 HZ3 TRP 59 HZ3 TRP 59 4.225 0.841 -2.211 429 HH2 TRP 59 HH2 TRP 59 6.584 0.257 -1.985 430 H LYS 60 H LYS 60 2.039 -4.138 3.718 431 HA LYS 60 HA LYS 60 4.060 -5.422 2.207 432 1HB LYS 60 2HB LYS 60 4.400 -5.382 4.538 433 2HB LYS 60 1HB LYS 60 2.772 -5.949 4.875 434 1HG LYS 60 2HG LYS 60 4.503 -7.796 3.357 435 2HG LYS 60 1HG LYS 60 4.948 -7.501 5.041 436 1HD LYS 60 2HD LYS 60 2.709 -8.139 5.760 437 2HD LYS 60 1HD LYS 60 2.224 -8.383 4.080 438 1HE LYS 60 2HE LYS 60 2.757 -10.497 5.219 439 2HE LYS 60 1HE LYS 60 3.820 -10.186 3.848 440 1HZ LYS 60 1HZ LYS 60 4.484 -9.730 6.707 441 2HZ LYS 60 2HZ LYS 60 5.502 -9.382 5.404 442 3HZ LYS 60 3HZ LYS 60 5.074 -10.983 5.735 443 H THR 61 H THR 61 0.743 -6.200 3.033 444 HA THR 61 HA THR 61 0.848 -8.806 1.770 445 HB THR 61 HB THR 61 -0.623 -8.459 3.722 446 HG1 THR 61 HG1 THR 61 -2.082 -8.962 1.322 447 1HG2 THR 61 1HG2 THR 61 -2.187 -6.632 1.894 448 2HG2 THR 61 2HG2 THR 61 -1.236 -6.120 3.288 449 3HG2 THR 61 3HG2 THR 61 -2.662 -7.131 3.518 450 H LEU 62 H LEU 62 0.004 -5.554 1.025 451 HA LEU 62 HA LEU 62 -1.603 -5.914 -1.232 452 1HB LEU 62 2HB LEU 62 -1.511 -3.756 -0.321 453 2HB LEU 62 1HB LEU 62 0.235 -3.751 -0.259 454 HG LEU 62 HG LEU 62 -0.902 -2.202 -1.929 455 1HD1 LEU 62 1HD1 LEU 62 0.905 -2.345 -3.427 456 2HD1 LEU 62 2HD1 LEU 62 1.123 -4.067 -3.124 457 3HD1 LEU 62 3HD1 LEU 62 1.516 -2.895 -1.865 458 1HD2 LEU 62 1HD2 LEU 62 -1.596 -3.092 -4.032 459 2HD2 LEU 62 2HD2 LEU 62 -2.500 -3.923 -2.768 460 3HD2 LEU 62 3HD2 LEU 62 -1.142 -4.725 -3.554 461 H VAL 63 H VAL 63 1.912 -5.701 -0.859 462 HA VAL 63 HA VAL 63 2.398 -6.148 -3.664 463 HB VAL 63 HB VAL 63 4.796 -6.335 -2.975 464 1HG1 VAL 63 1HG1 VAL 63 5.045 -3.978 -2.382 465 2HG1 VAL 63 2HG1 VAL 63 3.827 -4.196 -3.640 466 3HG1 VAL 63 3HG1 VAL 63 3.332 -3.895 -1.973 467 1HG2 VAL 63 1HG2 VAL 63 3.674 -5.764 -0.233 468 2HG2 VAL 63 2HG2 VAL 63 4.508 -7.231 -0.744 469 3HG2 VAL 63 3HG2 VAL 63 5.383 -5.703 -0.665 470 H HIS 64 H HIS 64 2.691 -8.040 -0.674 471 HA HIS 64 HA HIS 64 3.807 -10.359 -1.694 472 1HB HIS 64 2HB HIS 64 3.703 -10.547 0.562 473 2HB HIS 64 1HB HIS 64 2.215 -9.616 0.671 474 HD1 HIS 64 HD1 HIS 64 3.478 -13.123 0.258 475 HD2 HIS 64 HD2 HIS 64 -0.129 -11.120 0.750 476 HE1 HIS 64 HE1 HIS 64 1.777 -14.909 0.755 477 HE2 HIS 64 HE2 HIS 64 -0.376 -13.662 1.149 478 H THR 65 H THR 65 0.493 -9.242 -1.812 479 HA THR 65 HA THR 65 -0.439 -11.746 -2.968 480 HB THR 65 HB THR 65 -2.009 -9.208 -2.478 481 HG1 THR 65 HG1 THR 65 -1.462 -11.452 -0.829 482 1HG2 THR 65 1HG2 THR 65 -3.953 -10.720 -2.540 483 2HG2 THR 65 2HG2 THR 65 -2.883 -12.061 -2.949 484 3HG2 THR 65 3HG2 THR 65 -3.074 -10.714 -4.069 485 H ALA 66 H ALA 66 0.757 -8.727 -4.010 486 HA ALA 66 HA ALA 66 -0.616 -8.198 -6.342 487 1HB ALA 66 1HB ALA 66 2.349 -7.883 -5.894 488 2HB ALA 66 2HB ALA 66 1.389 -7.064 -7.127 489 3HB ALA 66 3HB ALA 66 1.103 -6.727 -5.420 490 H LYS 67 H LYS 67 2.650 -9.483 -6.725 491 HA LYS 67 HA LYS 67 1.677 -11.748 -8.267 492 1HB LYS 67 2HB LYS 67 3.358 -9.551 -9.484 493 2HB LYS 67 1HB LYS 67 3.116 -11.128 -10.223 494 1HG LYS 67 2HG LYS 67 0.718 -10.699 -10.367 495 2HG LYS 67 1HG LYS 67 0.954 -9.122 -9.613 496 1HD LYS 67 2HD LYS 67 2.384 -8.447 -11.487 497 2HD LYS 67 1HD LYS 67 2.135 -10.022 -12.240 498 1HE LYS 67 2HE LYS 67 -0.265 -9.573 -12.388 499 2HE LYS 67 1HE LYS 67 -0.019 -8.001 -11.631 500 1HZ LYS 67 1HZ LYS 67 1.359 -7.353 -13.508 501 2HZ LYS 67 2HZ LYS 67 -0.185 -7.806 -14.029 502 3HZ LYS 67 3HZ LYS 67 1.120 -8.862 -14.235 503 H ILE 68 H ILE 68 3.460 -10.922 -5.870 504 HA ILE 68 HA ILE 68 6.101 -11.693 -6.419 505 HB ILE 68 HB ILE 68 4.577 -11.977 -3.825 506 1HG1 ILE 68 2HG1 ILE 68 4.574 -9.677 -4.654 507 2HG1 ILE 68 1HG1 ILE 68 5.613 -9.817 -3.241 508 1HG2 ILE 68 1HG2 ILE 68 6.584 -13.330 -3.804 509 2HG2 ILE 68 2HG2 ILE 68 6.799 -11.921 -2.765 510 3HG2 ILE 68 3HG2 ILE 68 7.544 -11.960 -4.362 511 1HD1 ILE 68 1HD1 ILE 68 7.574 -9.866 -4.699 512 2HD1 ILE 68 2HD1 ILE 68 6.618 -8.401 -4.928 513 3HD1 ILE 68 3HD1 ILE 68 6.524 -9.709 -6.107 514 H SER 69 H SER 69 3.208 -13.537 -5.966 515 HA SER 69 HA SER 69 2.768 -15.774 -5.836 516 1HB SER 69 2HB SER 69 3.460 -15.572 -8.178 517 2HB SER 69 1HB SER 69 5.140 -15.843 -7.716 518 HG SER 69 HG SER 69 3.769 -17.703 -8.496 519 HA PRO 70 HA PRO 70 6.271 -16.699 -2.874 520 1HB PRO 70 2HB PRO 70 4.933 -16.478 -0.560 521 2HB PRO 70 1HB PRO 70 5.611 -15.064 -1.377 522 1HG PRO 70 2HG PRO 70 2.790 -16.064 -1.347 523 2HG PRO 70 1HG PRO 70 3.390 -14.402 -1.208 524 1HD PRO 70 2HD PRO 70 2.418 -15.488 -3.529 525 2HD PRO 70 1HD PRO 70 3.593 -14.159 -3.475 526 H GLN 71 H GLN 71 3.499 -18.069 -3.970 527 HA GLN 71 HA GLN 71 3.653 -20.395 -2.183 528 1HB GLN 71 2HB GLN 71 1.467 -21.034 -3.129 529 2HB GLN 71 1HB GLN 71 1.428 -19.445 -2.378 530 1HG GLN 71 2HG GLN 71 1.604 -18.402 -4.583 531 2HG GLN 71 1HG GLN 71 1.623 -19.998 -5.330 532 1HE2 GLN 71 1HE2 GLN 71 -0.262 -21.225 -5.366 533 2HE2 GLN 71 2HE2 GLN 71 -1.816 -20.528 -5.075 534 H GLN 72 H GLN 72 5.355 -19.566 -4.618 535 HA GLN 72 HA GLN 72 4.920 -21.316 -6.741 536 1HB GLN 72 2HB GLN 72 7.378 -21.058 -7.173 537 2HB GLN 72 1HB GLN 72 6.503 -19.545 -6.991 538 1HG GLN 72 2HG GLN 72 7.281 -19.437 -4.640 539 2HG GLN 72 1HG GLN 72 8.252 -20.878 -4.937 540 1HE2 GLN 72 1HE2 GLN 72 10.167 -19.789 -4.504 541 2HE2 GLN 72 2HE2 GLN 72 10.844 -18.642 -5.605 542 H ARG 73 H ARG 73 6.208 -21.882 -3.580 543 HA ARG 73 HA ARG 73 6.810 -23.763 -2.462 544 1HB ARG 73 2HB ARG 73 4.698 -24.647 -3.355 545 2HB ARG 73 1HB ARG 73 5.535 -25.188 -4.803 546 1HG ARG 73 2HG ARG 73 6.878 -26.720 -3.461 547 2HG ARG 73 1HG ARG 73 6.050 -26.170 -2.002 548 1HD ARG 73 2HD ARG 73 4.761 -27.527 -4.368 549 2HD ARG 73 1HD ARG 73 5.118 -28.278 -2.813 550 HE ARG 73 HE ARG 73 3.568 -26.216 -2.090 551 1HH1 ARG 73 1HH1 ARG 73 3.192 -28.637 -4.568 552 2HH1 ARG 73 2HH1 ARG 73 1.463 -28.630 -4.493 553 1HH2 ARG 73 1HH2 ARG 73 1.291 -26.201 -1.984 554 2HH2 ARG 73 2HH2 ARG 73 0.382 -27.245 -3.025 555 H ARG 74 H ARG 74 8.856 -24.306 -2.237 556 HA ARG 74 HA ARG 74 10.278 -25.561 -4.464 557 1HB ARG 74 2HB ARG 74 11.325 -23.207 -2.883 558 2HB ARG 74 1HB ARG 74 12.292 -24.179 -3.984 559 1HG ARG 74 2HG ARG 74 10.827 -23.511 -5.836 560 2HG ARG 74 1HG ARG 74 9.901 -22.502 -4.721 561 1HD ARG 74 2HD ARG 74 12.827 -22.197 -5.388 562 2HD ARG 74 1HD ARG 74 11.518 -21.172 -5.975 563 HE ARG 74 HE ARG 74 11.469 -21.187 -3.171 564 1HH1 ARG 74 1HH1 ARG 74 13.441 -20.029 -5.801 565 2HH1 ARG 74 2HH1 ARG 74 14.068 -18.684 -4.907 566 1HH2 ARG 74 1HH2 ARG 74 12.289 -19.419 -1.989 567 2HH2 ARG 74 2HH2 ARG 74 13.414 -18.337 -2.741 568 H GLY 75 H GLY 75 9.186 -25.933 -1.513 569 1HA GLY 75 1HA GLY 75 10.148 -28.106 -0.556 570 2HA GLY 75 2HA GLY 75 11.627 -27.168 -0.415 571 H GLU 76 H GLU 76 8.259 -26.265 0.227 572 HA GLU 76 HA GLU 76 7.249 -25.349 2.042 573 1HB GLU 76 2HB GLU 76 7.777 -27.665 2.891 574 2HB GLU 76 1HB GLU 76 9.208 -26.987 3.658 575 1HG GLU 76 2HG GLU 76 7.798 -25.516 5.000 576 2HG GLU 76 1HG GLU 76 6.361 -26.186 4.226 577 HA PRO 77 HA PRO 77 10.896 -22.477 2.793 578 1HB PRO 77 2HB PRO 77 10.306 -20.495 1.086 579 2HB PRO 77 1HB PRO 77 11.173 -21.943 0.556 580 1HG PRO 77 2HG PRO 77 8.277 -21.251 0.250 581 2HG PRO 77 1HG PRO 77 9.384 -21.980 -0.928 582 1HD PRO 77 2HD PRO 77 7.589 -23.408 0.576 583 2HD PRO 77 1HD PRO 77 9.093 -24.084 -0.077 584 H VAL 78 H VAL 78 10.428 -19.797 2.832 585 HA VAL 78 HA VAL 78 7.945 -19.428 4.356 586 HB VAL 78 HB VAL 78 9.162 -18.027 5.997 587 1HG1 VAL 78 1HG1 VAL 78 10.186 -19.874 7.242 588 2HG1 VAL 78 2HG1 VAL 78 8.639 -20.341 6.534 589 3HG1 VAL 78 3HG1 VAL 78 10.147 -20.871 5.787 590 1HG2 VAL 78 1HG2 VAL 78 11.627 -19.112 4.637 591 2HG2 VAL 78 2HG2 VAL 78 11.089 -17.432 4.632 592 3HG2 VAL 78 3HG2 VAL 78 11.606 -18.188 6.139 593 HA PRO 79 HA PRO 79 7.674 -15.792 1.823 594 1HB PRO 79 2HB PRO 79 5.757 -14.437 3.136 595 2HB PRO 79 1HB PRO 79 5.407 -15.921 2.241 596 1HG PRO 79 2HG PRO 79 5.809 -15.533 5.183 597 2HG PRO 79 1HG PRO 79 4.594 -16.511 4.339 598 1HD PRO 79 2HD PRO 79 6.869 -17.552 5.434 599 2HD PRO 79 1HD PRO 79 6.041 -18.267 4.036 600 H GLN 80 H GLN 80 9.919 -15.254 2.621 601 HA GLN 80 HA GLN 80 9.986 -13.129 4.634 602 1HB GLN 80 2HB GLN 80 11.643 -15.067 4.582 603 2HB GLN 80 1HB GLN 80 12.332 -14.309 3.156 604 1HG GLN 80 2HG GLN 80 13.599 -13.722 5.128 605 2HG GLN 80 1HG GLN 80 12.813 -12.296 4.451 606 1HE2 GLN 80 1HE2 GLN 80 12.882 -14.555 7.087 607 2HE2 GLN 80 2HE2 GLN 80 11.879 -13.647 8.160 608 H GLU 81 H GLU 81 10.316 -13.699 1.238 609 HA GLU 81 HA GLU 81 11.678 -11.486 0.332 610 1HB GLU 81 2HB GLU 81 9.346 -12.956 -0.886 611 2HB GLU 81 1HB GLU 81 10.256 -11.720 -1.742 612 1HG GLU 81 2HG GLU 81 12.293 -13.053 -1.494 613 2HG GLU 81 1HG GLU 81 11.370 -14.292 -0.645 614 H LEU 82 H LEU 82 8.298 -11.686 1.328 615 HA LEU 82 HA LEU 82 7.523 -9.162 0.356 616 1HB LEU 82 2HB LEU 82 6.025 -9.860 2.662 617 2HB LEU 82 1HB LEU 82 5.516 -9.867 0.991 618 HG LEU 82 HG LEU 82 6.932 -12.181 2.319 619 1HD1 LEU 82 1HD1 LEU 82 3.997 -11.606 2.032 620 2HD1 LEU 82 2HD1 LEU 82 4.902 -11.911 3.513 621 3HD1 LEU 82 3HD1 LEU 82 4.647 -13.212 2.350 622 1HD2 LEU 82 1HD2 LEU 82 7.081 -12.125 -0.120 623 2HD2 LEU 82 2HD2 LEU 82 5.327 -11.970 -0.227 624 3HD2 LEU 82 3HD2 LEU 82 6.042 -13.444 0.424 625 H LEU 83 H LEU 83 8.262 -10.203 3.696 626 HA LEU 83 HA LEU 83 8.155 -7.653 4.839 627 1HB LEU 83 2HB LEU 83 9.666 -10.134 5.641 628 2HB LEU 83 1HB LEU 83 9.663 -8.674 6.613 629 HG LEU 83 HG LEU 83 7.166 -10.192 5.863 630 1HD1 LEU 83 1HD1 LEU 83 7.189 -11.032 8.159 631 2HD1 LEU 83 2HD1 LEU 83 8.760 -10.274 8.421 632 3HD1 LEU 83 3HD1 LEU 83 8.598 -11.585 7.253 633 1HD2 LEU 83 1HD2 LEU 83 6.156 -8.861 7.657 634 2HD2 LEU 83 2HD2 LEU 83 6.791 -7.842 6.366 635 3HD2 LEU 83 3HD2 LEU 83 7.684 -8.007 7.878 636 H ASN 84 H ASN 84 10.720 -9.314 3.145 637 HA ASN 84 HA ASN 84 12.876 -7.676 3.884 638 1HB ASN 84 2HB ASN 84 13.183 -9.838 2.777 639 2HB ASN 84 1HB ASN 84 12.430 -9.211 1.315 640 1HD2 ASN 84 1HD2 ASN 84 13.556 -7.747 0.030 641 2HD2 ASN 84 2HD2 ASN 84 15.264 -7.524 0.177 642 H ARG 85 H ARG 85 10.773 -7.536 1.007 643 HA ARG 85 HA ARG 85 11.958 -5.159 0.002 644 1HB ARG 85 2HB ARG 85 10.065 -5.094 -1.554 645 2HB ARG 85 1HB ARG 85 10.779 -6.697 -1.471 646 1HG ARG 85 2HG ARG 85 8.975 -7.450 -0.030 647 2HG ARG 85 1HG ARG 85 8.269 -5.831 -0.052 648 1HD ARG 85 2HD ARG 85 7.164 -7.386 -1.620 649 2HD ARG 85 1HD ARG 85 7.874 -5.987 -2.424 650 HE ARG 85 HE ARG 85 9.239 -8.598 -2.348 651 1HH1 ARG 85 1HH1 ARG 85 8.030 -5.829 -4.086 652 2HH1 ARG 85 2HH1 ARG 85 8.734 -6.309 -5.594 653 1HH2 ARG 85 1HH2 ARG 85 10.168 -9.236 -4.328 654 2HH2 ARG 85 2HH2 ARG 85 9.949 -8.244 -5.732 655 H VAL 86 H VAL 86 9.638 -5.755 2.449 656 HA VAL 86 HA VAL 86 8.251 -3.275 2.323 657 HB VAL 86 HB VAL 86 8.559 -5.311 4.525 658 1HG1 VAL 86 1HG1 VAL 86 6.784 -4.074 5.727 659 2HG1 VAL 86 2HG1 VAL 86 8.294 -3.169 5.613 660 3HG1 VAL 86 3HG1 VAL 86 6.941 -2.764 4.558 661 1HG2 VAL 86 1HG2 VAL 86 6.371 -5.974 3.982 662 2HG2 VAL 86 2HG2 VAL 86 6.073 -4.511 3.040 663 3HG2 VAL 86 3HG2 VAL 86 7.174 -5.744 2.428 664 H LEU 87 H LEU 87 10.643 -4.432 4.718 665 HA LEU 87 HA LEU 87 11.089 -1.849 5.787 666 1HB LEU 87 2HB LEU 87 12.326 -4.525 6.086 667 2HB LEU 87 1HB LEU 87 13.315 -3.149 6.535 668 HG LEU 87 HG LEU 87 11.585 -2.421 8.126 669 1HD1 LEU 87 1HD1 LEU 87 9.716 -3.899 8.667 670 2HD1 LEU 87 2HD1 LEU 87 10.177 -4.969 7.342 671 3HD1 LEU 87 3HD1 LEU 87 9.627 -3.330 6.999 672 1HD2 LEU 87 1HD2 LEU 87 13.392 -3.840 8.905 673 2HD2 LEU 87 2HD2 LEU 87 12.475 -5.281 8.466 674 3HD2 LEU 87 3HD2 LEU 87 11.896 -4.228 9.755 675 H ASN 88 H ASN 88 12.255 -3.436 2.995 676 HA ASN 88 HA ASN 88 14.699 -1.950 2.734 677 1HB ASN 88 2HB ASN 88 14.350 -4.184 1.693 678 2HB ASN 88 1HB ASN 88 13.153 -3.467 0.620 679 1HD2 ASN 88 1HD2 ASN 88 13.822 -2.093 -1.022 680 2HD2 ASN 88 2HD2 ASN 88 15.467 -2.010 -1.539 681 H ALA 89 H ALA 89 11.585 -1.904 1.022 682 HA ALA 89 HA ALA 89 12.086 0.369 -0.536 683 1HB ALA 89 1HB ALA 89 9.427 -0.659 0.450 684 2HB ALA 89 2HB ALA 89 9.677 0.455 -0.893 685 3HB ALA 89 3HB ALA 89 10.267 -1.204 -1.000 686 H HIS 90 H HIS 90 10.542 0.038 2.645 687 HA HIS 90 HA HIS 90 9.833 2.734 2.972 688 1HB HIS 90 2HB HIS 90 8.967 0.912 4.396 689 2HB HIS 90 1HB HIS 90 10.565 0.713 5.105 690 HD1 HIS 90 HD1 HIS 90 7.546 2.888 5.204 691 HD2 HIS 90 HD2 HIS 90 11.315 2.714 6.945 692 HE1 HIS 90 HE1 HIS 90 7.478 4.521 7.114 693 HE2 HIS 90 HE2 HIS 90 9.741 4.334 8.207 694 H GLY 91 H GLY 91 12.641 0.953 4.266 695 1HA GLY 91 1HA GLY 91 13.990 3.149 5.348 696 2HA GLY 91 2HA GLY 91 14.756 1.654 4.824 697 H TYR 92 H TYR 92 13.780 1.988 2.071 698 HA TYR 92 HA TYR 92 15.986 3.385 0.992 699 1HB TYR 92 2HB TYR 92 15.139 1.672 -0.363 700 2HB TYR 92 1HB TYR 92 13.474 2.203 -0.163 701 HD1 TYR 92 HD1 TYR 92 12.511 3.788 -1.625 702 HD2 TYR 92 HD2 TYR 92 16.666 2.936 -1.882 703 HE1 TYR 92 HE1 TYR 92 12.614 4.997 -3.758 704 HE2 TYR 92 HE2 TYR 92 16.788 4.146 -4.021 705 HH TYR 92 HH TYR 92 14.272 6.140 -5.149 706 H TRP 93 H TRP 93 12.525 4.244 1.210 707 HA TRP 93 HA TRP 93 12.692 6.723 -0.066 708 1HB TRP 93 2HB TRP 93 10.910 6.106 2.299 709 2HB TRP 93 1HB TRP 93 10.642 7.323 1.059 710 HD1 TRP 93 HD1 TRP 93 11.295 5.264 -1.425 711 HE1 TRP 93 HE1 TRP 93 9.458 3.574 -2.059 712 HE3 TRP 93 HE3 TRP 93 8.617 5.305 2.927 713 HZ2 TRP 93 HZ2 TRP 93 7.169 2.425 -0.871 714 HZ3 TRP 93 HZ3 TRP 93 6.615 3.887 3.095 715 HH2 TRP 93 HH2 TRP 93 5.908 2.476 1.233 716 H THR 94 H THR 94 12.741 6.042 3.421 717 HA THR 94 HA THR 94 13.329 8.598 4.327 718 HB THR 94 HB THR 94 14.205 7.540 6.370 719 HG1 THR 94 HG1 THR 94 13.727 4.998 5.247 720 1HG2 THR 94 1HG2 THR 94 11.785 7.734 6.081 721 2HG2 THR 94 2HG2 THR 94 12.194 6.264 6.966 722 3HG2 THR 94 3HG2 THR 94 11.749 6.173 5.263 723 H GLN 95 H GLN 95 15.484 6.081 3.141 724 HA GLN 95 HA GLN 95 17.841 7.677 3.731 725 1HB GLN 95 2HB GLN 95 17.475 4.945 2.504 726 2HB GLN 95 1HB GLN 95 19.043 5.729 2.650 727 1HG GLN 95 2HG GLN 95 17.211 5.021 4.932 728 2HG GLN 95 1HG GLN 95 18.655 4.132 4.449 729 1HE2 GLN 95 1HE2 GLN 95 18.007 5.428 6.982 730 2HE2 GLN 95 2HE2 GLN 95 19.274 6.566 7.274 731 H GLN 96 H GLN 96 15.574 7.519 1.310 732 HA GLN 96 HA GLN 96 17.343 7.965 -0.911 733 1HB GLN 96 2HB GLN 96 15.220 6.869 -1.337 734 2HB GLN 96 1HB GLN 96 14.341 8.237 -0.672 735 1HG GLN 96 2HG GLN 96 15.165 9.648 -2.493 736 2HG GLN 96 1HG GLN 96 16.029 8.268 -3.163 737 1HE2 GLN 96 1HE2 GLN 96 12.882 7.992 -1.688 738 2HE2 GLN 96 2HE2 GLN 96 12.013 7.655 -3.142 739 H GLN 97 H GLN 97 15.569 9.843 1.401 740 HA GLN 97 HA GLN 97 15.622 12.047 1.952 741 1HB GLN 97 2HB GLN 97 17.809 12.236 -0.131 742 2HB GLN 97 1HB GLN 97 17.389 13.497 1.021 743 1HG GLN 97 2HG GLN 97 18.013 12.026 2.864 744 2HG GLN 97 1HG GLN 97 18.428 10.757 1.713 745 1HE2 GLN 97 1HE2 GLN 97 20.559 10.675 2.395 746 2HE2 GLN 97 2HE2 GLN 97 21.698 11.920 2.027 747 H MET 98 H MET 98 13.834 11.016 -0.026 748 HA MET 98 HA MET 98 12.143 11.806 -1.320 749 1HB MET 98 2HB MET 98 12.241 13.833 0.101 750 2HB MET 98 1HB MET 98 13.424 14.525 -1.000 751 1HG MET 98 2HG MET 98 11.227 15.432 -1.425 752 2HG MET 98 1HG MET 98 11.781 14.481 -2.802 753 1HE MET 98 1HE MET 98 7.898 13.909 -2.813 754 2HE MET 98 2HE MET 98 9.290 14.446 -3.752 755 3HE MET 98 3HE MET 98 8.746 15.388 -2.363 756 H GLN 99 H GLN 99 15.434 12.419 -2.105 757 HA GLN 99 HA GLN 99 15.012 11.730 -4.834 758 1HB GLN 99 2HB GLN 99 14.328 14.103 -4.905 759 2HB GLN 99 1HB GLN 99 15.895 14.563 -4.257 760 1HG GLN 99 2HG GLN 99 15.822 14.917 -6.647 761 2HG GLN 99 1HG GLN 99 16.986 13.655 -6.245 762 1HE2 GLN 99 1HE2 GLN 99 13.914 14.370 -7.697 763 2HE2 GLN 99 2HE2 GLN 99 13.707 12.852 -8.497 764 H GLN 100 H GLN 100 16.516 10.137 -4.172 765 HA GLN 100 HA GLN 100 19.036 10.650 -3.068 766 1HB GLN 100 2HB GLN 100 19.645 8.413 -3.816 767 2HB GLN 100 1HB GLN 100 18.019 8.411 -3.148 768 1HG GLN 100 2HG GLN 100 17.068 8.384 -5.368 769 2HG GLN 100 1HG GLN 100 18.674 8.500 -6.084 770 1HE2 GLN 100 1HE2 GLN 100 16.636 6.454 -6.431 771 2HE2 GLN 100 2HE2 GLN 100 17.366 4.961 -5.960 772 H LEU 101 H LEU 101 21.068 10.922 -3.951 773 HA LEU 101 HA LEU 101 21.148 12.270 -6.483 774 1HB LEU 101 2HB LEU 101 23.282 11.536 -4.487 775 2HB LEU 101 1HB LEU 101 23.636 12.364 -5.991 776 HG LEU 101 HG LEU 101 22.026 14.175 -5.229 777 1HD1 LEU 101 1HD1 LEU 101 20.838 12.933 -3.525 778 2HD1 LEU 101 2HD1 LEU 101 21.647 14.325 -2.805 779 3HD1 LEU 101 3HD1 LEU 101 22.330 12.711 -2.611 780 1HD2 LEU 101 1HD2 LEU 101 24.445 14.452 -5.180 781 2HD2 LEU 101 2HD2 LEU 101 24.514 13.677 -3.599 782 3HD2 LEU 101 3HD2 LEU 101 23.695 15.228 -3.785 783 H GLN 102 H GLN 102 20.880 9.134 -5.887 784 HA GLN 102 HA GLN 102 22.957 8.116 -7.626 785 1HB GLN 102 2HB GLN 102 22.194 6.829 -5.659 786 2HB GLN 102 1HB GLN 102 20.597 6.696 -6.379 787 1HG GLN 102 2HG GLN 102 21.834 4.653 -6.701 788 2HG GLN 102 1HG GLN 102 21.554 5.444 -8.251 789 1HE2 GLN 102 1HE2 GLN 102 23.284 6.362 -9.354 790 2HE2 GLN 102 2HE2 GLN 102 24.924 5.987 -8.966 791 H GLN 103 H GLN 103 19.439 8.515 -7.704 792 HA GLN 103 HA GLN 103 17.945 8.629 -9.409 793 1HB GLN 103 2HB GLN 103 19.704 10.249 -10.276 794 2HB GLN 103 1HB GLN 103 20.294 8.931 -11.279 795 1HG GLN 103 2HG GLN 103 18.122 8.789 -12.380 796 2HG GLN 103 1HG GLN 103 17.520 10.098 -11.364 797 1HE2 GLN 103 1HE2 GLN 103 20.762 10.010 -12.650 798 2HE2 GLN 103 2HE2 GLN 103 20.570 11.319 -13.758 799 H ASN 104 H ASN 104 19.806 6.119 -8.851 800 HA ASN 104 HA ASN 104 18.836 4.584 -11.172 801 1HB ASN 104 2HB ASN 104 21.232 4.081 -9.398 802 2HB ASN 104 1HB ASN 104 20.645 2.944 -10.608 803 1HD2 ASN 104 1HD2 ASN 104 22.564 3.040 -11.759 804 2HD2 ASN 104 2HD2 ASN 104 22.999 4.413 -12.713 805 H VAL 105 H VAL 105 16.783 4.447 -10.030 806 HA VAL 105 HA VAL 105 16.439 3.251 -7.527 807 HB VAL 105 HB VAL 105 14.548 3.098 -9.880 808 1HG1 VAL 105 1HG1 VAL 105 12.807 2.865 -8.165 809 2HG1 VAL 105 2HG1 VAL 105 13.965 1.537 -8.111 810 3HG1 VAL 105 3HG1 VAL 105 14.053 2.831 -6.916 811 1HG2 VAL 105 1HG2 VAL 105 13.496 5.096 -8.902 812 2HG2 VAL 105 2HG2 VAL 105 14.794 5.180 -7.711 813 3HG2 VAL 105 3HG2 VAL 105 15.153 5.403 -9.423 Start of MODEL 15 1 H GLN 9 H GLN 9 -27.154 6.662 -14.443 2 HA GLN 9 HA GLN 9 -26.795 7.321 -17.276 3 1HB GLN 9 2HB GLN 9 -27.002 9.693 -16.484 4 2HB GLN 9 1HB GLN 9 -28.429 8.703 -16.217 5 1HG GLN 9 2HG GLN 9 -27.791 8.413 -13.877 6 2HG GLN 9 1HG GLN 9 -26.361 9.408 -14.146 7 1HE2 GLN 9 1HE2 GLN 9 -26.992 10.930 -12.631 8 2HE2 GLN 9 2HE2 GLN 9 -28.289 12.034 -12.911 9 H ARG 10 H ARG 10 -25.270 7.951 -14.117 10 HA ARG 10 HA ARG 10 -22.649 7.557 -15.120 11 1HB ARG 10 2HB ARG 10 -21.808 9.863 -14.881 12 2HB ARG 10 1HB ARG 10 -22.999 9.722 -16.168 13 1HG ARG 10 2HG ARG 10 -24.709 10.651 -14.691 14 2HG ARG 10 1HG ARG 10 -23.511 10.796 -13.402 15 1HD ARG 10 2HD ARG 10 -23.830 12.932 -14.521 16 2HD ARG 10 1HD ARG 10 -22.199 12.321 -14.794 17 HE ARG 10 HE ARG 10 -23.919 11.532 -16.899 18 1HH1 ARG 10 1HH1 ARG 10 -22.228 14.303 -15.632 19 2HH1 ARG 10 2HH1 ARG 10 -22.093 15.086 -17.170 20 1HH2 ARG 10 1HH2 ARG 10 -23.745 12.554 -18.930 21 2HH2 ARG 10 2HH2 ARG 10 -22.957 14.091 -19.045 22 H ARG 11 H ARG 11 -24.501 6.961 -12.848 23 HA ARG 11 HA ARG 11 -23.185 8.138 -10.548 24 1HB ARG 11 2HB ARG 11 -25.616 7.750 -10.519 25 2HB ARG 11 1HB ARG 11 -25.342 6.024 -10.705 26 1HG ARG 11 2HG ARG 11 -24.218 5.956 -8.547 27 2HG ARG 11 1HG ARG 11 -24.449 7.696 -8.365 28 1HD ARG 11 2HD ARG 11 -26.877 7.372 -8.426 29 2HD ARG 11 1HD ARG 11 -26.638 5.634 -8.598 30 HE ARG 11 HE ARG 11 -25.285 6.406 -6.305 31 1HH1 ARG 11 1HH1 ARG 11 -28.568 6.374 -7.476 32 2HH1 ARG 11 2HH1 ARG 11 -29.264 6.194 -5.900 33 1HH2 ARG 11 1HH2 ARG 11 -26.192 6.168 -4.229 34 2HH2 ARG 11 2HH2 ARG 11 -27.912 6.076 -4.053 35 H ILE 12 H ILE 12 -21.579 7.244 -9.418 36 HA ILE 12 HA ILE 12 -21.043 4.376 -9.702 37 HB ILE 12 HB ILE 12 -19.598 5.588 -11.310 38 1HG1 ILE 12 2HG1 ILE 12 -18.941 3.462 -9.932 39 2HG1 ILE 12 1HG1 ILE 12 -17.735 4.271 -10.921 40 1HG2 ILE 12 1HG2 ILE 12 -17.742 6.970 -10.440 41 2HG2 ILE 12 2HG2 ILE 12 -18.487 6.910 -8.844 42 3HG2 ILE 12 3HG2 ILE 12 -19.332 7.687 -10.182 43 1HD1 ILE 12 1HD1 ILE 12 -16.803 5.339 -8.965 44 2HD1 ILE 12 2HD1 ILE 12 -16.878 3.594 -8.727 45 3HD1 ILE 12 3HD1 ILE 12 -18.065 4.642 -7.952 46 H ARG 13 H ARG 13 -20.297 3.397 -7.876 47 HA ARG 13 HA ARG 13 -19.959 5.120 -5.513 48 1HB ARG 13 2HB ARG 13 -21.951 3.662 -5.439 49 2HB ARG 13 1HB ARG 13 -20.916 2.254 -5.636 50 1HG ARG 13 2HG ARG 13 -21.526 2.477 -3.326 51 2HG ARG 13 1HG ARG 13 -19.804 2.816 -3.503 52 1HD ARG 13 2HD ARG 13 -20.875 4.409 -1.993 53 2HD ARG 13 1HD ARG 13 -20.257 5.210 -3.437 54 HE ARG 13 HE ARG 13 -22.956 4.514 -3.828 55 1HH1 ARG 13 1HH1 ARG 13 -20.973 6.738 -2.019 56 2HH1 ARG 13 2HH1 ARG 13 -22.198 7.959 -1.930 57 1HH2 ARG 13 1HH2 ARG 13 -24.575 6.118 -3.715 58 2HH2 ARG 13 2HH2 ARG 13 -24.245 7.606 -2.894 59 H ARG 14 H ARG 14 -18.057 5.104 -4.529 60 HA ARG 14 HA ARG 14 -15.906 4.601 -3.990 61 1HB ARG 14 2HB ARG 14 -16.871 1.763 -4.382 62 2HB ARG 14 1HB ARG 14 -15.372 2.225 -3.587 63 1HG ARG 14 2HG ARG 14 -16.639 3.384 -1.856 64 2HG ARG 14 1HG ARG 14 -18.145 2.937 -2.656 65 1HD ARG 14 2HD ARG 14 -17.606 0.568 -2.335 66 2HD ARG 14 1HD ARG 14 -16.108 1.024 -1.523 67 HE ARG 14 HE ARG 14 -18.230 2.276 -0.206 68 1HH1 ARG 14 1HH1 ARG 14 -16.990 -0.933 -0.764 69 2HH1 ARG 14 2HH1 ARG 14 -17.611 -1.570 0.721 70 1HH2 ARG 14 1HH2 ARG 14 -19.052 1.445 1.751 71 2HH2 ARG 14 2HH2 ARG 14 -18.784 -0.219 2.150 72 HA PRO 15 HA PRO 15 -14.620 4.116 -8.380 73 1HB PRO 15 2HB PRO 15 -13.112 6.333 -8.527 74 2HB PRO 15 1HB PRO 15 -14.873 6.393 -8.679 75 1HG PRO 15 2HG PRO 15 -13.154 7.018 -6.311 76 2HG PRO 15 1HG PRO 15 -14.572 7.886 -6.925 77 1HD PRO 15 2HD PRO 15 -14.651 6.134 -4.820 78 2HD PRO 15 1HD PRO 15 -16.039 6.478 -5.870 79 H PHE 16 H PHE 16 -12.596 5.141 -5.636 80 HA PHE 16 HA PHE 16 -10.381 3.563 -6.755 81 1HB PHE 16 2HB PHE 16 -10.419 5.865 -4.808 82 2HB PHE 16 1HB PHE 16 -8.993 4.863 -5.063 83 HD1 PHE 16 HD1 PHE 16 -11.267 7.301 -6.604 84 HD2 PHE 16 HD2 PHE 16 -7.672 5.065 -7.036 85 HE1 PHE 16 HE1 PHE 16 -10.634 8.699 -8.527 86 HE2 PHE 16 HE2 PHE 16 -7.032 6.459 -8.960 87 HZ PHE 16 HZ PHE 16 -8.513 8.279 -9.708 88 H SER 17 H SER 17 -9.037 2.368 -5.254 89 HA SER 17 HA SER 17 -9.896 1.750 -2.620 90 1HB SER 17 2HB SER 17 -10.573 -0.595 -3.008 91 2HB SER 17 1HB SER 17 -11.667 0.534 -3.805 92 HG SER 17 HG SER 17 -10.059 -1.383 -4.881 93 H VAL 18 H VAL 18 -8.782 -0.616 -2.104 94 HA VAL 18 HA VAL 18 -6.058 -0.167 -2.071 95 HB VAL 18 HB VAL 18 -7.145 -1.793 -0.601 96 1HG1 VAL 18 1HG1 VAL 18 -7.389 -3.505 -3.074 97 2HG1 VAL 18 2HG1 VAL 18 -7.746 -4.023 -1.427 98 3HG1 VAL 18 3HG1 VAL 18 -8.717 -2.760 -2.183 99 1HG2 VAL 18 1HG2 VAL 18 -5.437 -3.554 -0.692 100 2HG2 VAL 18 2HG2 VAL 18 -4.978 -3.019 -2.307 101 3HG2 VAL 18 3HG2 VAL 18 -4.737 -1.952 -0.924 102 H ALA 19 H ALA 19 -8.016 -1.741 -4.513 103 HA ALA 19 HA ALA 19 -6.021 -2.996 -6.007 104 1HB ALA 19 1HB ALA 19 -8.417 -3.357 -6.378 105 2HB ALA 19 2HB ALA 19 -8.561 -1.722 -7.022 106 3HB ALA 19 3HB ALA 19 -7.589 -2.923 -7.873 107 H GLU 20 H GLU 20 -7.339 0.293 -6.273 108 HA GLU 20 HA GLU 20 -5.662 1.095 -8.408 109 1HB GLU 20 2HB GLU 20 -7.057 2.772 -6.310 110 2HB GLU 20 1HB GLU 20 -6.352 3.386 -7.798 111 1HG GLU 20 2HG GLU 20 -8.646 1.449 -7.604 112 2HG GLU 20 1HG GLU 20 -8.766 3.168 -7.977 113 H VAL 21 H VAL 21 -5.386 1.198 -4.909 114 HA VAL 21 HA VAL 21 -3.189 2.856 -4.603 115 HB VAL 21 HB VAL 21 -3.819 0.363 -3.011 116 1HG1 VAL 21 1HG1 VAL 21 -2.105 2.750 -2.322 117 2HG1 VAL 21 2HG1 VAL 21 -2.540 1.448 -1.214 118 3HG1 VAL 21 3HG1 VAL 21 -1.538 1.107 -2.625 119 1HG2 VAL 21 1HG2 VAL 21 -4.620 3.236 -2.562 120 2HG2 VAL 21 2HG2 VAL 21 -5.686 1.925 -3.064 121 3HG2 VAL 21 3HG2 VAL 21 -4.945 1.894 -1.466 122 H GLU 22 H GLU 22 -3.356 -0.508 -5.607 123 HA GLU 22 HA GLU 22 -0.750 -1.343 -5.363 124 1HB GLU 22 2HB GLU 22 -2.635 -2.713 -6.248 125 2HB GLU 22 1HB GLU 22 -2.520 -1.836 -7.767 126 1HG GLU 22 2HG GLU 22 -0.247 -2.669 -8.079 127 2HG GLU 22 1HG GLU 22 -0.363 -3.552 -6.559 128 H ALA 23 H ALA 23 -2.135 0.297 -8.210 129 HA ALA 23 HA ALA 23 0.261 0.657 -9.601 130 1HB ALA 23 1HB ALA 23 -1.875 0.988 -10.685 131 2HB ALA 23 2HB ALA 23 -2.239 2.350 -9.623 132 3HB ALA 23 3HB ALA 23 -0.929 2.472 -10.797 133 H LEU 24 H LEU 24 -1.374 2.694 -7.220 134 HA LEU 24 HA LEU 24 0.337 4.899 -7.310 135 1HB LEU 24 2HB LEU 24 -1.831 4.857 -6.126 136 2HB LEU 24 1HB LEU 24 -1.141 3.788 -4.920 137 HG LEU 24 HG LEU 24 0.460 5.576 -4.291 138 1HD1 LEU 24 1HD1 LEU 24 0.515 6.789 -6.401 139 2HD1 LEU 24 2HD1 LEU 24 0.053 7.858 -5.076 140 3HD1 LEU 24 3HD1 LEU 24 -1.174 7.254 -6.191 141 1HD2 LEU 24 1HD2 LEU 24 -2.453 6.344 -4.165 142 2HD2 LEU 24 2HD2 LEU 24 -1.174 6.979 -3.130 143 3HD2 LEU 24 3HD2 LEU 24 -1.613 5.273 -3.046 144 H VAL 25 H VAL 25 0.694 1.761 -5.847 145 HA VAL 25 HA VAL 25 2.864 2.415 -4.123 146 HB VAL 25 HB VAL 25 1.924 -0.228 -5.242 147 1HG1 VAL 25 1HG1 VAL 25 4.243 -0.536 -4.854 148 2HG1 VAL 25 2HG1 VAL 25 4.176 0.353 -3.333 149 3HG1 VAL 25 3HG1 VAL 25 3.404 -1.227 -3.466 150 1HG2 VAL 25 1HG2 VAL 25 0.399 0.783 -3.660 151 2HG2 VAL 25 2HG2 VAL 25 1.190 -0.608 -2.919 152 3HG2 VAL 25 3HG2 VAL 25 1.712 1.025 -2.509 153 H GLN 26 H GLN 26 2.600 1.137 -7.405 154 HA GLN 26 HA GLN 26 5.359 0.693 -7.815 155 1HB GLN 26 2HB GLN 26 3.527 -0.255 -9.219 156 2HB GLN 26 1HB GLN 26 3.254 1.346 -9.888 157 1HG GLN 26 2HG GLN 26 5.950 0.069 -10.061 158 2HG GLN 26 1HG GLN 26 4.677 -0.357 -11.202 159 1HE2 GLN 26 1HE2 GLN 26 7.231 0.986 -11.651 160 2HE2 GLN 26 2HE2 GLN 26 6.850 2.502 -12.387 161 H ALA 27 H ALA 27 3.414 3.527 -7.800 162 HA ALA 27 HA ALA 27 5.334 5.133 -9.266 163 1HB ALA 27 1HB ALA 27 2.807 5.967 -7.850 164 2HB ALA 27 2HB ALA 27 3.768 6.962 -8.945 165 3HB ALA 27 3HB ALA 27 2.936 5.531 -9.554 166 H VAL 28 H VAL 28 4.295 4.678 -5.917 167 HA VAL 28 HA VAL 28 5.965 6.852 -4.974 168 HB VAL 28 HB VAL 28 5.177 6.285 -2.742 169 1HG1 VAL 28 1HG1 VAL 28 2.763 6.679 -3.107 170 2HG1 VAL 28 2HG1 VAL 28 3.789 7.744 -4.066 171 3HG1 VAL 28 3HG1 VAL 28 2.999 6.363 -4.826 172 1HG2 VAL 28 1HG2 VAL 28 5.101 3.879 -2.893 173 2HG2 VAL 28 2HG2 VAL 28 3.507 4.483 -2.440 174 3HG2 VAL 28 3HG2 VAL 28 3.814 3.961 -4.097 175 H GLU 29 H GLU 29 6.359 3.486 -5.513 176 HA GLU 29 HA GLU 29 8.146 2.801 -3.481 177 1HB GLU 29 2HB GLU 29 9.020 1.102 -5.150 178 2HB GLU 29 1HB GLU 29 7.299 1.039 -4.796 179 1HG GLU 29 2HG GLU 29 6.717 1.921 -6.861 180 2HG GLU 29 1HG GLU 29 8.328 2.564 -7.155 181 H LYS 30 H LYS 30 8.574 5.104 -5.894 182 HA LYS 30 HA LYS 30 11.501 4.841 -5.787 183 1HB LYS 30 2HB LYS 30 11.494 6.382 -7.752 184 2HB LYS 30 1HB LYS 30 10.707 4.837 -8.043 185 1HG LYS 30 2HG LYS 30 8.537 5.840 -7.845 186 2HG LYS 30 1HG LYS 30 9.249 7.378 -7.359 187 1HD LYS 30 2HD LYS 30 8.627 7.524 -9.673 188 2HD LYS 30 1HD LYS 30 10.388 7.478 -9.573 189 1HE LYS 30 2HE LYS 30 10.358 5.092 -10.110 190 2HE LYS 30 1HE LYS 30 8.596 5.131 -10.198 191 1HZ LYS 30 1HZ LYS 30 10.448 6.649 -11.956 192 2HZ LYS 30 2HZ LYS 30 8.760 6.687 -12.040 193 3HZ LYS 30 3HZ LYS 30 9.592 5.257 -12.392 194 H LEU 31 H LEU 31 8.915 7.290 -5.570 195 HA LEU 31 HA LEU 31 10.813 9.013 -4.115 196 1HB LEU 31 2HB LEU 31 9.166 10.860 -4.780 197 2HB LEU 31 1HB LEU 31 10.232 10.218 -6.014 198 HG LEU 31 HG LEU 31 8.276 8.711 -6.691 199 1HD1 LEU 31 1HD1 LEU 31 6.899 8.985 -4.723 200 2HD1 LEU 31 2HD1 LEU 31 6.048 9.592 -6.142 201 3HD1 LEU 31 3HD1 LEU 31 6.790 10.722 -5.010 202 1HD2 LEU 31 1HD2 LEU 31 7.277 10.478 -8.056 203 2HD2 LEU 31 2HD2 LEU 31 9.036 10.604 -8.019 204 3HD2 LEU 31 3HD2 LEU 31 8.053 11.696 -7.044 205 H GLY 32 H GLY 32 9.234 6.891 -2.928 206 1HA GLY 32 1HA GLY 32 7.003 8.094 -1.571 207 2HA GLY 32 2HA GLY 32 7.693 6.513 -1.243 208 H THR 33 H THR 33 7.048 7.506 0.967 209 HA THR 33 HA THR 33 9.524 8.361 2.219 210 HB THR 33 HB THR 33 6.993 9.981 2.568 211 HG1 THR 33 HG1 THR 33 9.247 11.273 1.697 212 1HG2 THR 33 1HG2 THR 33 9.753 10.332 3.747 213 2HG2 THR 33 2HG2 THR 33 8.307 9.831 4.623 214 3HG2 THR 33 3HG2 THR 33 8.406 11.454 3.938 215 H GLY 34 H GLY 34 6.084 7.605 2.641 216 1HA GLY 34 1HA GLY 34 6.658 5.612 4.608 217 2HA GLY 34 2HA GLY 34 5.993 7.068 5.336 218 H ARG 35 H ARG 35 5.006 6.301 2.137 219 HA ARG 35 HA ARG 35 2.927 5.981 1.269 220 1HB ARG 35 2HB ARG 35 2.066 3.816 1.602 221 2HB ARG 35 1HB ARG 35 3.800 3.671 1.842 222 1HG ARG 35 2HG ARG 35 3.573 3.431 4.161 223 2HG ARG 35 1HG ARG 35 1.911 4.028 4.144 224 1HD ARG 35 2HD ARG 35 2.925 1.410 3.052 225 2HD ARG 35 1HD ARG 35 1.866 1.649 4.441 226 HE ARG 35 HE ARG 35 1.023 2.407 1.725 227 1HH1 ARG 35 1HH1 ARG 35 0.506 0.675 4.704 228 2HH1 ARG 35 2HH1 ARG 35 -1.095 0.169 4.280 229 1HH2 ARG 35 1HH2 ARG 35 -1.082 1.742 1.161 230 2HH2 ARG 35 2HH2 ARG 35 -1.997 0.774 2.267 231 H TRP 36 H TRP 36 3.088 7.672 3.754 232 HA TRP 36 HA TRP 36 0.853 7.288 5.377 233 1HB TRP 36 2HB TRP 36 1.030 9.876 5.632 234 2HB TRP 36 1HB TRP 36 2.350 8.859 6.201 235 HD1 TRP 36 HD1 TRP 36 4.633 8.900 4.789 236 HE1 TRP 36 HE1 TRP 36 5.600 10.643 3.167 237 HE3 TRP 36 HE3 TRP 36 0.385 11.592 3.864 238 HZ2 TRP 36 HZ2 TRP 36 4.687 12.872 1.690 239 HZ3 TRP 36 HZ3 TRP 36 0.519 13.516 2.337 240 HH2 TRP 36 HH2 TRP 36 2.626 14.142 1.274 241 H ARG 37 H ARG 37 1.194 9.129 2.363 242 HA ARG 37 HA ARG 37 -1.460 10.090 2.296 243 1HB ARG 37 2HB ARG 37 -1.006 10.467 -0.131 244 2HB ARG 37 1HB ARG 37 0.217 11.144 0.935 245 1HG ARG 37 2HG ARG 37 1.654 9.201 0.496 246 2HG ARG 37 1HG ARG 37 0.433 8.570 -0.611 247 1HD ARG 37 2HD ARG 37 1.847 11.218 -0.900 248 2HD ARG 37 1HD ARG 37 2.256 9.745 -1.779 249 HE ARG 37 HE ARG 37 -0.473 10.391 -2.150 250 1HH1 ARG 37 1HH1 ARG 37 2.729 11.388 -3.100 251 2HH1 ARG 37 2HH1 ARG 37 2.212 12.048 -4.616 252 1HH2 ARG 37 1HH2 ARG 37 -1.160 11.255 -4.145 253 2HH2 ARG 37 2HH2 ARG 37 0.003 11.972 -5.210 254 H ASP 38 H ASP 38 0.000 7.064 1.396 255 HA ASP 38 HA ASP 38 -2.047 6.122 -0.311 256 1HB ASP 38 2HB ASP 38 -0.039 4.605 1.369 257 2HB ASP 38 1HB ASP 38 -1.078 3.869 0.152 258 H VAL 39 H VAL 39 -1.343 5.235 3.079 259 HA VAL 39 HA VAL 39 -3.692 3.794 3.508 260 HB VAL 39 HB VAL 39 -3.337 4.246 5.935 261 1HG1 VAL 39 1HG1 VAL 39 -1.219 3.054 6.089 262 2HG1 VAL 39 2HG1 VAL 39 -2.224 2.385 4.802 263 3HG1 VAL 39 3HG1 VAL 39 -0.867 3.441 4.405 264 1HG2 VAL 39 1HG2 VAL 39 -1.331 5.477 6.619 265 2HG2 VAL 39 2HG2 VAL 39 -1.039 5.926 4.939 266 3HG2 VAL 39 3HG2 VAL 39 -2.477 6.516 5.773 267 H LYS 40 H LYS 40 -3.110 7.216 3.444 268 HA LYS 40 HA LYS 40 -5.374 8.074 4.880 269 1HB LYS 40 2HB LYS 40 -3.585 9.342 2.837 270 2HB LYS 40 1HB LYS 40 -5.041 10.172 3.363 271 1HG LYS 40 2HG LYS 40 -4.268 10.146 5.656 272 2HG LYS 40 1HG LYS 40 -2.837 9.230 5.183 273 1HD LYS 40 2HD LYS 40 -2.117 11.094 3.764 274 2HD LYS 40 1HD LYS 40 -3.547 12.009 4.244 275 1HE LYS 40 2HE LYS 40 -2.796 11.967 6.570 276 2HE LYS 40 1HE LYS 40 -1.372 11.040 6.098 277 1HZ LYS 40 1HZ LYS 40 -0.858 13.385 6.339 278 2HZ LYS 40 2HZ LYS 40 -2.025 13.790 5.185 279 3HZ LYS 40 3HZ LYS 40 -0.661 12.901 4.729 280 H LEU 41 H LEU 41 -4.871 7.713 1.356 281 HA LEU 41 HA LEU 41 -7.803 7.751 1.065 282 1HB LEU 41 2HB LEU 41 -7.194 8.304 -1.392 283 2HB LEU 41 1HB LEU 41 -7.124 9.566 -0.177 284 HG LEU 41 HG LEU 41 -4.650 9.171 -0.019 285 1HD1 LEU 41 1HD1 LEU 41 -4.557 6.914 -0.899 286 2HD1 LEU 41 2HD1 LEU 41 -3.569 7.995 -1.880 287 3HD1 LEU 41 3HD1 LEU 41 -5.152 7.478 -2.460 288 1HD2 LEU 41 1HD2 LEU 41 -5.578 11.019 -1.306 289 2HD2 LEU 41 2HD2 LEU 41 -5.731 9.972 -2.716 290 3HD2 LEU 41 3HD2 LEU 41 -4.135 10.371 -2.083 291 H CYS 42 H CYS 42 -5.994 5.445 1.641 292 HA CYS 42 HA CYS 42 -5.632 3.808 -0.579 293 1HB CYS 42 2HB CYS 42 -4.704 3.244 1.602 294 2HB CYS 42 1HB CYS 42 -6.322 3.031 2.265 295 HG CYS 42 HG CYS 42 -4.430 0.894 0.547 296 H ALA 43 H ALA 43 -8.421 4.139 1.561 297 HA ALA 43 HA ALA 43 -10.335 3.703 -0.452 298 1HB ALA 43 1HB ALA 43 -9.496 1.403 -0.399 299 2HB ALA 43 2HB ALA 43 -9.858 1.313 1.325 300 3HB ALA 43 3HB ALA 43 -11.167 1.493 0.159 301 H PHE 44 H PHE 44 -9.659 5.248 2.045 302 HA PHE 44 HA PHE 44 -10.816 6.400 3.606 303 1HB PHE 44 2HB PHE 44 -12.873 6.804 2.788 304 2HB PHE 44 1HB PHE 44 -12.898 5.271 1.934 305 HD1 PHE 44 HD1 PHE 44 -13.785 3.249 3.082 306 HD2 PHE 44 HD2 PHE 44 -14.083 7.138 4.777 307 HE1 PHE 44 HE1 PHE 44 -15.538 2.443 4.607 308 HE2 PHE 44 HE2 PHE 44 -15.837 6.341 6.310 309 HZ PHE 44 HZ PHE 44 -16.578 3.985 6.209 310 H GLU 45 H GLU 45 -9.920 3.385 3.563 311 HA GLU 45 HA GLU 45 -11.198 2.371 5.918 312 1HB GLU 45 2HB GLU 45 -8.903 1.321 4.265 313 2HB GLU 45 1HB GLU 45 -9.573 0.478 5.657 314 1HG GLU 45 2HG GLU 45 -11.069 1.194 3.145 315 2HG GLU 45 1HG GLU 45 -10.440 -0.401 3.557 316 H ASP 46 H ASP 46 -7.855 3.284 5.091 317 HA ASP 46 HA ASP 46 -7.263 3.483 7.958 318 1HB ASP 46 2HB ASP 46 -5.394 3.451 5.578 319 2HB ASP 46 1HB ASP 46 -4.892 3.532 7.265 320 H ALA 47 H ALA 47 -8.794 5.466 6.343 321 HA ALA 47 HA ALA 47 -7.194 7.752 5.882 322 1HB ALA 47 1HB ALA 47 -9.295 8.974 5.759 323 2HB ALA 47 2HB ALA 47 -9.407 7.450 4.879 324 3HB ALA 47 3HB ALA 47 -10.148 7.605 6.472 325 H ASP 48 H ASP 48 -7.858 6.245 8.745 326 HA ASP 48 HA ASP 48 -7.709 8.757 10.276 327 1HB ASP 48 2HB ASP 48 -8.738 6.050 11.156 328 2HB ASP 48 1HB ASP 48 -8.647 7.486 12.174 329 H HIS 49 H HIS 49 -5.899 6.202 9.219 330 HA HIS 49 HA HIS 49 -3.830 5.408 9.705 331 1HB HIS 49 2HB HIS 49 -3.713 7.788 11.567 332 2HB HIS 49 1HB HIS 49 -2.337 6.795 11.098 333 HD1 HIS 49 HD1 HIS 49 -1.148 7.433 8.994 334 HD2 HIS 49 HD2 HIS 49 -4.852 9.285 9.346 335 HE1 HIS 49 HE1 HIS 49 -1.253 9.091 7.107 336 HE2 HIS 49 HE2 HIS 49 -3.469 10.257 7.390 337 H ARG 50 H ARG 50 -3.724 3.530 10.711 338 HA ARG 50 HA ARG 50 -4.867 3.197 13.356 339 1HB ARG 50 2HB ARG 50 -3.560 1.188 11.514 340 2HB ARG 50 1HB ARG 50 -4.391 0.803 13.014 341 1HG ARG 50 2HG ARG 50 -6.481 1.642 12.086 342 2HG ARG 50 1HG ARG 50 -5.651 2.064 10.587 343 1HD ARG 50 2HD ARG 50 -5.084 -0.293 10.243 344 2HD ARG 50 1HD ARG 50 -5.920 -0.711 11.738 345 HE ARG 50 HE ARG 50 -7.754 0.633 10.162 346 1HH1 ARG 50 1HH1 ARG 50 -5.867 -2.292 9.972 347 2HH1 ARG 50 2HH1 ARG 50 -7.024 -3.127 8.991 348 1HH2 ARG 50 1HH2 ARG 50 -9.282 -0.460 8.872 349 2HH2 ARG 50 2HH2 ARG 50 -8.966 -2.086 8.366 350 H THR 51 H THR 51 -1.793 2.047 11.956 351 HA THR 51 HA THR 51 -0.250 3.212 14.102 352 HB THR 51 HB THR 51 -0.292 0.196 13.889 353 HG1 THR 51 HG1 THR 51 -2.119 0.474 14.967 354 1HG2 THR 51 1HG2 THR 51 0.885 0.401 16.105 355 2HG2 THR 51 2HG2 THR 51 1.034 2.129 15.782 356 3HG2 THR 51 3HG2 THR 51 1.806 0.960 14.709 357 H TYR 52 H TYR 52 2.072 2.969 13.740 358 HA TYR 52 HA TYR 52 2.766 3.169 11.047 359 1HB TYR 52 2HB TYR 52 5.056 3.306 11.735 360 2HB TYR 52 1HB TYR 52 4.071 4.162 12.909 361 HD1 TYR 52 HD1 TYR 52 3.191 2.181 14.787 362 HD2 TYR 52 HD2 TYR 52 6.906 2.416 12.736 363 HE1 TYR 52 HE1 TYR 52 4.261 0.931 16.605 364 HE2 TYR 52 HE2 TYR 52 7.991 1.158 14.548 365 HH TYR 52 HH TYR 52 6.245 -0.482 16.950 366 H VAL 53 H VAL 53 3.232 0.399 13.258 367 HA VAL 53 HA VAL 53 4.365 -1.210 11.163 368 HB VAL 53 HB VAL 53 3.405 -1.954 13.929 369 1HG1 VAL 53 1HG1 VAL 53 4.539 -4.111 13.555 370 2HG1 VAL 53 2HG1 VAL 53 3.167 -3.885 12.472 371 3HG1 VAL 53 3HG1 VAL 53 4.810 -3.661 11.871 372 1HG2 VAL 53 1HG2 VAL 53 5.731 -2.083 14.486 373 2HG2 VAL 53 2HG2 VAL 53 6.197 -1.811 12.807 374 3HG2 VAL 53 3HG2 VAL 53 5.433 -0.518 13.730 375 H ASP 54 H ASP 54 1.211 -1.014 12.780 376 HA ASP 54 HA ASP 54 -0.002 -3.205 11.543 377 1HB ASP 54 2HB ASP 54 -1.178 -0.608 12.542 378 2HB ASP 54 1HB ASP 54 -2.161 -1.948 11.960 379 H LEU 55 H LEU 55 -0.026 0.216 10.561 380 HA LEU 55 HA LEU 55 -1.434 -0.172 8.163 381 1HB LEU 55 2HB LEU 55 -1.049 2.048 7.734 382 2HB LEU 55 1HB LEU 55 -0.771 2.017 9.459 383 HG LEU 55 HG LEU 55 1.746 1.644 8.704 384 1HD1 LEU 55 1HD1 LEU 55 0.620 3.247 6.413 385 2HD1 LEU 55 2HD1 LEU 55 1.139 1.567 6.294 386 3HD1 LEU 55 3HD1 LEU 55 2.308 2.825 6.691 387 1HD2 LEU 55 1HD2 LEU 55 0.921 3.478 10.086 388 2HD2 LEU 55 2HD2 LEU 55 0.345 4.314 8.643 389 3HD2 LEU 55 3HD2 LEU 55 2.073 4.057 8.882 390 H LYS 56 H LYS 56 1.956 -0.419 9.011 391 HA LYS 56 HA LYS 56 2.967 -0.674 6.378 392 1HB LYS 56 2HB LYS 56 4.392 -0.124 8.311 393 2HB LYS 56 1HB LYS 56 4.090 -1.716 8.988 394 1HG LYS 56 2HG LYS 56 5.228 -1.583 6.254 395 2HG LYS 56 1HG LYS 56 6.276 -1.151 7.605 396 1HD LYS 56 2HD LYS 56 4.713 -3.725 7.415 397 2HD LYS 56 1HD LYS 56 6.406 -3.549 6.951 398 1HE LYS 56 2HE LYS 56 5.256 -3.066 9.698 399 2HE LYS 56 1HE LYS 56 6.198 -4.472 9.201 400 1HZ LYS 56 1HZ LYS 56 7.563 -2.868 10.375 401 2HZ LYS 56 2HZ LYS 56 7.173 -1.667 9.251 402 3HZ LYS 56 3HZ LYS 56 8.077 -3.014 8.771 403 H ASP 57 H ASP 57 1.489 -2.878 8.631 404 HA ASP 57 HA ASP 57 2.281 -5.290 7.384 405 1HB ASP 57 2HB ASP 57 -0.002 -4.609 9.237 406 2HB ASP 57 1HB ASP 57 0.278 -6.242 8.638 407 H LYS 58 H LYS 58 -0.632 -3.277 7.141 408 HA LYS 58 HA LYS 58 -2.008 -4.884 5.289 409 1HB LYS 58 2HB LYS 58 -3.067 -3.049 6.558 410 2HB LYS 58 1HB LYS 58 -2.132 -1.879 5.637 411 1HG LYS 58 2HG LYS 58 -4.361 -1.975 4.762 412 2HG LYS 58 1HG LYS 58 -3.248 -2.660 3.578 413 1HD LYS 58 2HD LYS 58 -3.859 -4.914 4.309 414 2HD LYS 58 1HD LYS 58 -4.968 -4.229 5.499 415 1HE LYS 58 2HE LYS 58 -5.157 -3.901 2.506 416 2HE LYS 58 1HE LYS 58 -6.151 -4.972 3.491 417 1HZ LYS 58 1HZ LYS 58 -7.303 -2.913 2.987 418 2HZ LYS 58 2HZ LYS 58 -6.067 -2.011 3.706 419 3HZ LYS 58 3HZ LYS 58 -7.022 -3.039 4.651 420 H TRP 59 H TRP 59 0.533 -2.537 4.969 421 HA TRP 59 HA TRP 59 0.376 -2.197 2.145 422 1HB TRP 59 2HB TRP 59 1.520 -0.457 3.108 423 2HB TRP 59 1HB TRP 59 2.262 -1.475 4.330 424 HD1 TRP 59 HD1 TRP 59 4.517 -2.785 3.613 425 HE1 TRP 59 HE1 TRP 59 6.305 -2.195 1.853 426 HE3 TRP 59 HE3 TRP 59 1.842 0.559 0.825 427 HZ2 TRP 59 HZ2 TRP 59 6.542 -0.542 -0.420 428 HZ3 TRP 59 HZ3 TRP 59 2.921 1.599 -1.127 429 HH2 TRP 59 HH2 TRP 59 5.223 1.060 -1.733 430 H LYS 60 H LYS 60 2.369 -4.183 4.286 431 HA LYS 60 HA LYS 60 3.982 -5.431 2.403 432 1HB LYS 60 2HB LYS 60 4.372 -5.654 4.796 433 2HB LYS 60 1HB LYS 60 2.860 -6.530 4.988 434 1HG LYS 60 2HG LYS 60 3.946 -8.177 3.269 435 2HG LYS 60 1HG LYS 60 5.448 -7.439 3.830 436 1HD LYS 60 2HD LYS 60 5.203 -9.256 5.253 437 2HD LYS 60 1HD LYS 60 4.528 -7.926 6.197 438 1HE LYS 60 2HE LYS 60 2.887 -9.810 4.512 439 2HE LYS 60 1HE LYS 60 3.173 -10.025 6.237 440 1HZ LYS 60 1HZ LYS 60 1.773 -7.747 4.947 441 2HZ LYS 60 2HZ LYS 60 2.137 -7.835 6.595 442 3HZ LYS 60 3HZ LYS 60 1.072 -8.954 5.904 443 H THR 61 H THR 61 0.676 -6.053 3.343 444 HA THR 61 HA THR 61 0.503 -8.501 1.785 445 HB THR 61 HB THR 61 -1.676 -6.942 3.202 446 HG1 THR 61 HG1 THR 61 -0.670 -7.800 4.872 447 1HG2 THR 61 1HG2 THR 61 -2.578 -8.330 1.415 448 2HG2 THR 61 2HG2 THR 61 -2.988 -9.015 2.988 449 3HG2 THR 61 3HG2 THR 61 -1.690 -9.725 2.028 450 H LEU 62 H LEU 62 -0.181 -5.136 1.532 451 HA LEU 62 HA LEU 62 -1.943 -5.145 -0.655 452 1HB LEU 62 2HB LEU 62 -1.884 -3.129 0.431 453 2HB LEU 62 1HB LEU 62 -0.157 -3.196 0.692 454 HG LEU 62 HG LEU 62 0.103 -2.698 -1.786 455 1HD1 LEU 62 1HD1 LEU 62 -2.175 -3.282 -2.460 456 2HD1 LEU 62 2HD1 LEU 62 -1.784 -1.614 -2.879 457 3HD1 LEU 62 3HD1 LEU 62 -2.803 -1.957 -1.481 458 1HD2 LEU 62 1HD2 LEU 62 -1.207 -0.648 -0.005 459 2HD2 LEU 62 2HD2 LEU 62 -0.215 -0.307 -1.423 460 3HD2 LEU 62 3HD2 LEU 62 0.505 -1.076 -0.006 461 H VAL 63 H VAL 63 1.530 -5.387 -0.387 462 HA VAL 63 HA VAL 63 1.904 -5.156 -3.265 463 HB VAL 63 HB VAL 63 4.321 -5.510 -2.748 464 1HG1 VAL 63 1HG1 VAL 63 4.657 -3.321 -1.696 465 2HG1 VAL 63 2HG1 VAL 63 3.403 -3.265 -2.934 466 3HG1 VAL 63 3HG1 VAL 63 2.958 -3.289 -1.229 467 1HG2 VAL 63 1HG2 VAL 63 4.108 -6.823 -0.719 468 2HG2 VAL 63 2HG2 VAL 63 5.044 -5.362 -0.398 469 3HG2 VAL 63 3HG2 VAL 63 3.358 -5.459 0.112 470 H HIS 64 H HIS 64 2.252 -7.573 -0.691 471 HA HIS 64 HA HIS 64 3.201 -9.692 -2.231 472 1HB HIS 64 2HB HIS 64 3.299 -10.336 -0.063 473 2HB HIS 64 1HB HIS 64 1.914 -9.353 0.390 474 HD1 HIS 64 HD1 HIS 64 2.602 -12.671 -1.337 475 HD2 HIS 64 HD2 HIS 64 -0.304 -10.798 0.966 476 HE1 HIS 64 HE1 HIS 64 0.867 -14.434 -0.881 477 HE2 HIS 64 HE2 HIS 64 -0.836 -13.301 0.588 478 H THR 65 H THR 65 -0.041 -8.455 -1.800 479 HA THR 65 HA THR 65 -1.369 -10.662 -3.038 480 HB THR 65 HB THR 65 -2.465 -9.068 -1.437 481 HG1 THR 65 HG1 THR 65 -4.234 -9.802 -2.329 482 1HG2 THR 65 1HG2 THR 65 -1.579 -6.979 -2.362 483 2HG2 THR 65 2HG2 THR 65 -3.342 -6.962 -2.318 484 3HG2 THR 65 3HG2 THR 65 -2.501 -7.241 -3.843 485 H ALA 66 H ALA 66 0.267 -7.869 -4.212 486 HA ALA 66 HA ALA 66 -1.039 -7.422 -6.635 487 1HB ALA 66 1HB ALA 66 1.012 -6.359 -7.383 488 2HB ALA 66 2HB ALA 66 0.665 -5.920 -5.711 489 3HB ALA 66 3HB ALA 66 1.907 -7.121 -6.068 490 H LYS 67 H LYS 67 2.171 -8.937 -6.545 491 HA LYS 67 HA LYS 67 1.321 -11.293 -7.910 492 1HB LYS 67 2HB LYS 67 2.513 -10.870 -10.030 493 2HB LYS 67 1HB LYS 67 1.162 -9.770 -9.796 494 1HG LYS 67 2HG LYS 67 2.703 -8.019 -9.082 495 2HG LYS 67 1HG LYS 67 4.061 -9.123 -9.300 496 1HD LYS 67 2HD LYS 67 3.521 -9.308 -11.683 497 2HD LYS 67 1HD LYS 67 2.168 -8.197 -11.461 498 1HE LYS 67 2HE LYS 67 3.722 -6.447 -10.754 499 2HE LYS 67 1HE LYS 67 5.074 -7.555 -10.969 500 1HZ LYS 67 1HZ LYS 67 4.540 -7.691 -13.323 501 2HZ LYS 67 2HZ LYS 67 4.827 -6.088 -12.867 502 3HZ LYS 67 3HZ LYS 67 3.243 -6.625 -13.114 503 H ILE 68 H ILE 68 3.023 -10.280 -5.657 504 HA ILE 68 HA ILE 68 5.738 -10.717 -6.168 505 HB ILE 68 HB ILE 68 4.181 -11.167 -3.615 506 1HG1 ILE 68 2HG1 ILE 68 4.063 -8.868 -4.442 507 2HG1 ILE 68 1HG1 ILE 68 5.050 -8.951 -2.987 508 1HG2 ILE 68 1HG2 ILE 68 6.360 -10.970 -2.477 509 2HG2 ILE 68 2HG2 ILE 68 7.160 -10.966 -4.048 510 3HG2 ILE 68 3HG2 ILE 68 6.266 -12.391 -3.518 511 1HD1 ILE 68 1HD1 ILE 68 7.069 -8.864 -4.361 512 2HD1 ILE 68 2HD1 ILE 68 6.031 -7.463 -4.625 513 3HD1 ILE 68 3HD1 ILE 68 6.072 -8.766 -5.812 514 H SER 69 H SER 69 3.099 -12.925 -5.678 515 HA SER 69 HA SER 69 2.957 -15.203 -5.552 516 1HB SER 69 2HB SER 69 5.196 -14.931 -7.572 517 2HB SER 69 1HB SER 69 4.215 -16.377 -7.326 518 HG SER 69 HG SER 69 3.067 -13.869 -7.945 519 HA PRO 70 HA PRO 70 6.691 -15.734 -2.803 520 1HB PRO 70 2HB PRO 70 5.439 -15.813 -0.428 521 2HB PRO 70 1HB PRO 70 5.874 -14.284 -1.201 522 1HG PRO 70 2HG PRO 70 3.228 -15.674 -1.101 523 2HG PRO 70 1HG PRO 70 3.594 -13.949 -0.925 524 1HD PRO 70 2HD PRO 70 2.676 -15.096 -3.243 525 2HD PRO 70 1HD PRO 70 3.637 -13.605 -3.185 526 H GLN 71 H GLN 71 3.629 -17.309 -3.181 527 HA GLN 71 HA GLN 71 4.133 -19.630 -1.645 528 1HB GLN 71 2HB GLN 71 2.329 -19.270 -4.046 529 2HB GLN 71 1HB GLN 71 2.283 -20.630 -2.933 530 1HG GLN 71 2HG GLN 71 1.672 -19.130 -1.112 531 2HG GLN 71 1HG GLN 71 1.733 -17.758 -2.217 532 1HE2 GLN 71 1HE2 GLN 71 0.578 -19.292 -4.421 533 2HE2 GLN 71 2HE2 GLN 71 -1.105 -19.444 -4.064 534 H GLN 72 H GLN 72 4.806 -18.760 -4.985 535 HA GLN 72 HA GLN 72 6.122 -19.687 -6.585 536 1HB GLN 72 2HB GLN 72 7.286 -21.254 -4.274 537 2HB GLN 72 1HB GLN 72 8.003 -21.100 -5.873 538 1HG GLN 72 2HG GLN 72 8.253 -18.698 -5.539 539 2HG GLN 72 1HG GLN 72 7.519 -18.841 -3.943 540 1HE2 GLN 72 1HE2 GLN 72 9.333 -18.044 -2.907 541 2HE2 GLN 72 2HE2 GLN 72 10.788 -18.961 -2.748 542 H ARG 73 H ARG 73 3.686 -21.210 -5.208 543 HA ARG 73 HA ARG 73 3.440 -23.179 -7.214 544 1HB ARG 73 2HB ARG 73 5.121 -24.345 -5.838 545 2HB ARG 73 1HB ARG 73 4.052 -24.234 -4.447 546 1HG ARG 73 2HG ARG 73 2.410 -25.631 -5.586 547 2HG ARG 73 1HG ARG 73 3.468 -25.730 -6.995 548 1HD ARG 73 2HD ARG 73 4.123 -26.719 -4.220 549 2HD ARG 73 1HD ARG 73 3.637 -27.726 -5.583 550 HE ARG 73 HE ARG 73 5.891 -26.188 -6.289 551 1HH1 ARG 73 1HH1 ARG 73 4.972 -28.901 -4.304 552 2HH1 ARG 73 2HH1 ARG 73 6.530 -29.651 -4.385 553 1HH2 ARG 73 1HH2 ARG 73 7.945 -27.170 -6.402 554 2HH2 ARG 73 2HH2 ARG 73 8.221 -28.668 -5.577 555 H ARG 74 H ARG 74 2.500 -23.314 -3.785 556 HA ARG 74 HA ARG 74 -0.103 -22.246 -4.233 557 1HB ARG 74 2HB ARG 74 -1.389 -24.297 -3.790 558 2HB ARG 74 1HB ARG 74 -0.476 -24.408 -5.288 559 1HG ARG 74 2HG ARG 74 1.219 -25.754 -4.163 560 2HG ARG 74 1HG ARG 74 0.315 -25.633 -2.652 561 1HD ARG 74 2HD ARG 74 -0.662 -26.901 -5.210 562 2HD ARG 74 1HD ARG 74 -0.104 -27.762 -3.775 563 HE ARG 74 HE ARG 74 -2.158 -26.070 -2.975 564 1HH1 ARG 74 1HH1 ARG 74 -1.726 -28.829 -5.059 565 2HH1 ARG 74 2HH1 ARG 74 -3.342 -29.410 -4.841 566 1HH2 ARG 74 1HH2 ARG 74 -4.289 -26.829 -2.681 567 2HH2 ARG 74 2HH2 ARG 74 -4.799 -28.272 -3.489 568 H GLY 75 H GLY 75 2.141 -24.032 -2.229 569 1HA GLY 75 1HA GLY 75 0.636 -23.590 0.199 570 2HA GLY 75 2HA GLY 75 2.236 -24.306 0.077 571 H GLU 76 H GLU 76 1.469 -22.431 2.038 572 HA GLU 76 HA GLU 76 3.232 -20.190 1.313 573 1HB GLU 76 2HB GLU 76 1.809 -18.787 2.881 574 2HB GLU 76 1HB GLU 76 1.083 -19.214 1.336 575 1HG GLU 76 2HG GLU 76 -0.181 -20.999 2.420 576 2HG GLU 76 1HG GLU 76 0.550 -20.577 3.967 577 HA PRO 77 HA PRO 77 4.947 -22.252 5.064 578 1HB PRO 77 2HB PRO 77 7.549 -21.916 4.374 579 2HB PRO 77 1HB PRO 77 6.574 -23.271 3.805 580 1HG PRO 77 2HG PRO 77 7.297 -20.737 2.398 581 2HG PRO 77 1HG PRO 77 7.243 -22.393 1.765 582 1HD PRO 77 2HD PRO 77 5.266 -20.574 1.339 583 2HD PRO 77 1HD PRO 77 4.972 -22.322 1.429 584 H VAL 78 H VAL 78 7.389 -20.002 3.987 585 HA VAL 78 HA VAL 78 6.574 -18.088 6.072 586 HB VAL 78 HB VAL 78 9.427 -18.916 5.518 587 1HG1 VAL 78 1HG1 VAL 78 9.209 -16.605 6.255 588 2HG1 VAL 78 2HG1 VAL 78 8.253 -17.125 7.641 589 3HG1 VAL 78 3HG1 VAL 78 9.947 -17.595 7.514 590 1HG2 VAL 78 1HG2 VAL 78 7.639 -19.610 7.848 591 2HG2 VAL 78 2HG2 VAL 78 8.212 -20.723 6.607 592 3HG2 VAL 78 3HG2 VAL 78 9.358 -19.985 7.726 593 HA PRO 79 HA PRO 79 7.130 -15.756 2.157 594 1HB PRO 79 2HB PRO 79 5.289 -13.854 2.710 595 2HB PRO 79 1HB PRO 79 4.854 -15.437 2.053 596 1HG PRO 79 2HG PRO 79 4.739 -14.464 4.882 597 2HG PRO 79 1HG PRO 79 3.551 -15.420 3.979 598 1HD PRO 79 2HD PRO 79 5.295 -16.526 5.740 599 2HD PRO 79 1HD PRO 79 4.697 -17.389 4.310 600 H GLN 80 H GLN 80 9.223 -15.090 2.780 601 HA GLN 80 HA GLN 80 9.433 -12.806 4.593 602 1HB GLN 80 2HB GLN 80 11.495 -14.605 3.322 603 2HB GLN 80 1HB GLN 80 11.915 -13.173 4.249 604 1HG GLN 80 2HG GLN 80 10.798 -14.115 6.209 605 2HG GLN 80 1HG GLN 80 10.385 -15.553 5.276 606 1HE2 GLN 80 1HE2 GLN 80 11.985 -15.284 7.703 607 2HE2 GLN 80 2HE2 GLN 80 13.531 -15.960 7.334 608 H GLU 81 H GLU 81 9.582 -13.637 1.252 609 HA GLU 81 HA GLU 81 11.099 -11.644 0.124 610 1HB GLU 81 2HB GLU 81 8.544 -12.896 -0.876 611 2HB GLU 81 1HB GLU 81 9.564 -11.855 -1.857 612 1HG GLU 81 2HG GLU 81 10.392 -14.469 -0.615 613 2HG GLU 81 1HG GLU 81 9.974 -14.214 -2.308 614 H LEU 82 H LEU 82 7.763 -11.430 1.270 615 HA LEU 82 HA LEU 82 7.264 -8.856 0.220 616 1HB LEU 82 2HB LEU 82 5.712 -9.345 2.549 617 2HB LEU 82 1HB LEU 82 5.191 -9.305 0.884 618 HG LEU 82 HG LEU 82 6.322 -11.754 2.244 619 1HD1 LEU 82 1HD1 LEU 82 3.990 -12.531 2.354 620 2HD1 LEU 82 2HD1 LEU 82 3.454 -10.937 1.824 621 3HD1 LEU 82 3HD1 LEU 82 4.285 -11.119 3.368 622 1HD2 LEU 82 1HD2 LEU 82 6.518 -11.765 -0.189 623 2HD2 LEU 82 2HD2 LEU 82 4.800 -11.390 -0.337 624 3HD2 LEU 82 3HD2 LEU 82 5.310 -12.934 0.349 625 H LEU 83 H LEU 83 7.868 -9.910 3.585 626 HA LEU 83 HA LEU 83 8.077 -7.367 4.702 627 1HB LEU 83 2HB LEU 83 9.190 -10.041 5.467 628 2HB LEU 83 1HB LEU 83 9.648 -8.613 6.374 629 HG LEU 83 HG LEU 83 6.794 -9.508 5.978 630 1HD1 LEU 83 1HD1 LEU 83 6.901 -10.295 8.291 631 2HD1 LEU 83 2HD1 LEU 83 8.624 -9.917 8.339 632 3HD1 LEU 83 3HD1 LEU 83 8.028 -11.173 7.256 633 1HD2 LEU 83 1HD2 LEU 83 7.048 -7.122 6.420 634 2HD2 LEU 83 2HD2 LEU 83 8.033 -7.479 7.835 635 3HD2 LEU 83 3HD2 LEU 83 6.334 -7.945 7.806 636 H ASN 84 H ASN 84 10.321 -9.153 2.771 637 HA ASN 84 HA ASN 84 12.668 -7.720 3.521 638 1HB ASN 84 2HB ASN 84 12.649 -9.994 2.455 639 2HB ASN 84 1HB ASN 84 12.160 -9.225 0.947 640 1HD2 ASN 84 1HD2 ASN 84 14.552 -10.763 1.578 641 2HD2 ASN 84 2HD2 ASN 84 15.892 -9.731 1.222 642 H ARG 85 H ARG 85 10.474 -7.526 0.720 643 HA ARG 85 HA ARG 85 11.822 -5.269 -0.400 644 1HB ARG 85 2HB ARG 85 9.949 -5.178 -1.975 645 2HB ARG 85 1HB ARG 85 10.576 -6.813 -1.820 646 1HG ARG 85 2HG ARG 85 8.725 -7.433 -0.402 647 2HG ARG 85 1HG ARG 85 8.122 -5.774 -0.418 648 1HD ARG 85 2HD ARG 85 8.399 -7.561 -2.833 649 2HD ARG 85 1HD ARG 85 6.893 -7.231 -1.975 650 HE ARG 85 HE ARG 85 7.239 -4.856 -2.633 651 1HH1 ARG 85 1HH1 ARG 85 8.743 -7.417 -4.458 652 2HH1 ARG 85 2HH1 ARG 85 8.826 -6.497 -5.923 653 1HH2 ARG 85 1HH2 ARG 85 7.345 -3.640 -4.558 654 2HH2 ARG 85 2HH2 ARG 85 8.033 -4.351 -5.980 655 H VAL 86 H VAL 86 9.451 -5.674 2.039 656 HA VAL 86 HA VAL 86 8.259 -3.075 1.796 657 HB VAL 86 HB VAL 86 8.176 -5.152 3.983 658 1HG1 VAL 86 1HG1 VAL 86 6.386 -3.754 5.002 659 2HG1 VAL 86 2HG1 VAL 86 7.990 -3.028 5.091 660 3HG1 VAL 86 3HG1 VAL 86 6.828 -2.457 3.894 661 1HG2 VAL 86 1HG2 VAL 86 6.961 -5.590 1.860 662 2HG2 VAL 86 2HG2 VAL 86 5.907 -5.485 3.269 663 3HG2 VAL 86 3HG2 VAL 86 6.016 -4.131 2.146 664 H LEU 87 H LEU 87 10.416 -4.527 4.248 665 HA LEU 87 HA LEU 87 10.955 -2.096 5.567 666 1HB LEU 87 2HB LEU 87 12.651 -4.592 5.462 667 2HB LEU 87 1HB LEU 87 12.801 -3.300 6.637 668 HG LEU 87 HG LEU 87 10.389 -5.094 6.336 669 1HD1 LEU 87 1HD1 LEU 87 12.571 -5.077 8.416 670 2HD1 LEU 87 2HD1 LEU 87 12.320 -6.311 7.181 671 3HD1 LEU 87 3HD1 LEU 87 11.119 -6.076 8.452 672 1HD2 LEU 87 1HD2 LEU 87 9.814 -2.876 7.172 673 2HD2 LEU 87 2HD2 LEU 87 11.058 -3.012 8.414 674 3HD2 LEU 87 3HD2 LEU 87 9.663 -4.088 8.444 675 H ASN 88 H ASN 88 12.288 -3.577 2.731 676 HA ASN 88 HA ASN 88 14.693 -2.023 2.655 677 1HB ASN 88 2HB ASN 88 14.454 -4.225 1.523 678 2HB ASN 88 1HB ASN 88 13.313 -3.494 0.401 679 1HD2 ASN 88 1HD2 ASN 88 14.594 -3.929 -1.374 680 2HD2 ASN 88 2HD2 ASN 88 16.056 -3.069 -1.696 681 H ALA 89 H ALA 89 11.723 -1.976 0.687 682 HA ALA 89 HA ALA 89 12.274 0.335 -0.760 683 1HB ALA 89 1HB ALA 89 10.466 -1.216 -1.324 684 2HB ALA 89 2HB ALA 89 9.567 -0.683 0.099 685 3HB ALA 89 3HB ALA 89 9.885 0.446 -1.219 686 H HIS 90 H HIS 90 10.497 -0.019 2.301 687 HA HIS 90 HA HIS 90 9.824 2.668 2.653 688 1HB HIS 90 2HB HIS 90 8.812 0.936 4.013 689 2HB HIS 90 1HB HIS 90 10.373 0.517 4.707 690 HD1 HIS 90 HD1 HIS 90 10.069 1.131 7.106 691 HD2 HIS 90 HD2 HIS 90 8.831 4.152 4.537 692 HE1 HIS 90 HE1 HIS 90 9.521 3.088 8.585 693 HE2 HIS 90 HE2 HIS 90 8.689 4.875 7.016 694 H GLY 91 H GLY 91 12.545 0.846 4.053 695 1HA GLY 91 1HA GLY 91 13.846 2.966 5.299 696 2HA GLY 91 2HA GLY 91 14.641 1.508 4.717 697 H TYR 92 H TYR 92 13.850 1.975 1.951 698 HA TYR 92 HA TYR 92 16.076 3.518 1.109 699 1HB TYR 92 2HB TYR 92 15.491 1.846 -0.398 700 2HB TYR 92 1HB TYR 92 13.770 2.161 -0.244 701 HD1 TYR 92 HD1 TYR 92 12.698 3.877 -1.562 702 HD2 TYR 92 HD2 TYR 92 16.870 3.150 -1.931 703 HE1 TYR 92 HE1 TYR 92 12.728 5.177 -3.640 704 HE2 TYR 92 HE2 TYR 92 16.917 4.453 -4.018 705 HH TYR 92 HH TYR 92 15.359 5.154 -5.787 706 H TRP 93 H TRP 93 12.604 4.168 1.306 707 HA TRP 93 HA TRP 93 12.566 6.643 0.014 708 1HB TRP 93 2HB TRP 93 10.868 5.780 2.367 709 2HB TRP 93 1HB TRP 93 10.517 7.118 1.282 710 HD1 TRP 93 HD1 TRP 93 11.359 5.206 -1.363 711 HE1 TRP 93 HE1 TRP 93 9.532 3.593 -2.194 712 HE3 TRP 93 HE3 TRP 93 8.438 5.067 2.827 713 HZ2 TRP 93 HZ2 TRP 93 7.158 2.425 -1.197 714 HZ3 TRP 93 HZ3 TRP 93 6.406 3.683 2.806 715 HH2 TRP 93 HH2 TRP 93 5.780 2.388 0.834 716 H THR 94 H THR 94 12.825 5.947 3.498 717 HA THR 94 HA THR 94 13.268 8.644 4.247 718 HB THR 94 HB THR 94 13.936 7.741 6.439 719 HG1 THR 94 HG1 THR 94 14.140 5.402 4.932 720 1HG2 THR 94 1HG2 THR 94 11.560 8.004 5.932 721 2HG2 THR 94 2HG2 THR 94 11.828 6.602 6.966 722 3HG2 THR 94 3HG2 THR 94 11.518 6.380 5.245 723 H GLN 95 H GLN 95 15.501 5.902 3.865 724 HA GLN 95 HA GLN 95 17.824 7.352 4.574 725 1HB GLN 95 2HB GLN 95 17.435 4.774 3.068 726 2HB GLN 95 1HB GLN 95 19.024 5.426 3.450 727 1HG GLN 95 2HG GLN 95 16.904 4.675 5.450 728 2HG GLN 95 1HG GLN 95 18.331 3.722 5.049 729 1HE2 GLN 95 1HE2 GLN 95 17.489 4.856 7.604 730 2HE2 GLN 95 2HE2 GLN 95 18.786 5.869 8.127 731 H GLN 96 H GLN 96 16.916 6.105 1.345 732 HA GLN 96 HA GLN 96 18.872 7.624 0.018 733 1HB GLN 96 2HB GLN 96 17.772 5.591 -0.916 734 2HB GLN 96 1HB GLN 96 16.319 6.545 -1.173 735 1HG GLN 96 2HG GLN 96 17.418 6.462 -3.246 736 2HG GLN 96 1HG GLN 96 17.717 8.076 -2.604 737 1HE2 GLN 96 1HE2 GLN 96 19.207 6.541 -4.585 738 2HE2 GLN 96 2HE2 GLN 96 20.823 6.419 -3.984 739 H GLN 97 H GLN 97 15.797 8.472 1.247 740 HA GLN 97 HA GLN 97 14.558 10.377 1.202 741 1HB GLN 97 2HB GLN 97 17.180 11.597 0.317 742 2HB GLN 97 1HB GLN 97 15.777 12.506 0.858 743 1HG GLN 97 2HG GLN 97 15.937 11.444 3.055 744 2HG GLN 97 1HG GLN 97 17.347 10.539 2.509 745 1HE2 GLN 97 1HE2 GLN 97 17.074 12.456 4.694 746 2HE2 GLN 97 2HE2 GLN 97 18.232 13.701 4.385 747 H MET 98 H MET 98 13.540 9.209 -0.664 748 HA MET 98 HA MET 98 12.802 9.051 -2.831 749 1HB MET 98 2HB MET 98 11.720 11.102 -3.593 750 2HB MET 98 1HB MET 98 11.445 10.846 -1.877 751 1HG MET 98 2HG MET 98 13.172 12.490 -1.352 752 2HG MET 98 1HG MET 98 13.451 12.745 -3.075 753 1HE MET 98 1HE MET 98 11.675 13.834 -4.718 754 2HE MET 98 2HE MET 98 10.054 14.322 -4.221 755 3HE MET 98 3HE MET 98 10.494 12.614 -4.243 756 H GLN 99 H GLN 99 15.575 8.982 -2.823 757 HA GLN 99 HA GLN 99 17.385 9.178 -4.179 758 1HB GLN 99 2HB GLN 99 15.740 8.307 -5.838 759 2HB GLN 99 1HB GLN 99 15.362 9.965 -6.286 760 1HG GLN 99 2HG GLN 99 17.673 10.295 -7.008 761 2HG GLN 99 1HG GLN 99 18.047 8.631 -6.564 762 1HE2 GLN 99 1HE2 GLN 99 15.457 7.645 -7.491 763 2HE2 GLN 99 2HE2 GLN 99 15.542 7.632 -9.217 764 H GLN 100 H GLN 100 17.719 11.097 -2.704 765 HA GLN 100 HA GLN 100 18.513 13.202 -2.388 766 1HB GLN 100 2HB GLN 100 18.731 13.198 -5.403 767 2HB GLN 100 1HB GLN 100 19.489 14.367 -4.331 768 1HG GLN 100 2HG GLN 100 20.817 12.587 -3.320 769 2HG GLN 100 1HG GLN 100 20.052 11.411 -4.389 770 1HE2 GLN 100 1HE2 GLN 100 22.864 12.145 -4.106 771 2HE2 GLN 100 2HE2 GLN 100 23.385 12.653 -5.674 772 H LEU 101 H LEU 101 18.207 15.601 -3.342 773 HA LEU 101 HA LEU 101 15.500 16.241 -2.887 774 1HB LEU 101 2HB LEU 101 17.353 17.767 -2.381 775 2HB LEU 101 1HB LEU 101 17.693 17.932 -4.093 776 HG LEU 101 HG LEU 101 15.442 18.954 -4.397 777 1HD1 LEU 101 1HD1 LEU 101 14.328 17.976 -2.469 778 2HD1 LEU 101 2HD1 LEU 101 14.236 19.737 -2.418 779 3HD1 LEU 101 3HD1 LEU 101 15.381 18.882 -1.383 780 1HD2 LEU 101 1HD2 LEU 101 16.029 21.109 -3.396 781 2HD2 LEU 101 2HD2 LEU 101 17.425 20.347 -4.159 782 3HD2 LEU 101 3HD2 LEU 101 17.251 20.315 -2.404 783 H GLN 102 H GLN 102 17.326 15.643 -5.795 784 HA GLN 102 HA GLN 102 15.513 16.815 -7.631 785 1HB GLN 102 2HB GLN 102 17.847 16.286 -8.207 786 2HB GLN 102 1HB GLN 102 17.492 14.569 -8.062 787 1HG GLN 102 2HG GLN 102 15.916 14.733 -9.916 788 2HG GLN 102 1HG GLN 102 16.262 16.455 -10.059 789 1HE2 GLN 102 1HE2 GLN 102 17.453 13.235 -10.571 790 2HE2 GLN 102 2HE2 GLN 102 18.793 13.669 -11.572 791 H GLN 103 H GLN 103 13.514 16.189 -8.065 792 HA GLN 103 HA GLN 103 12.701 13.445 -7.461 793 1HB GLN 103 2HB GLN 103 10.400 14.298 -7.694 794 2HB GLN 103 1HB GLN 103 11.324 15.206 -6.505 795 1HG GLN 103 2HG GLN 103 11.692 16.981 -8.138 796 2HG GLN 103 1HG GLN 103 10.771 16.070 -9.335 797 1HE2 GLN 103 1HE2 GLN 103 10.618 17.953 -6.420 798 2HE2 GLN 103 2HE2 GLN 103 8.908 18.200 -6.426 799 H ASN 104 H ASN 104 13.985 14.950 -10.017 800 HA ASN 104 HA ASN 104 12.198 14.073 -12.094 801 1HB ASN 104 2HB ASN 104 15.048 15.081 -12.249 802 2HB ASN 104 1HB ASN 104 13.986 14.817 -13.628 803 1HD2 ASN 104 1HD2 ASN 104 14.662 16.807 -10.866 804 2HD2 ASN 104 2HD2 ASN 104 13.633 18.122 -11.307 805 H VAL 105 H VAL 105 12.050 11.833 -11.477 806 HA VAL 105 HA VAL 105 14.350 10.138 -11.570 807 HB VAL 105 HB VAL 105 12.575 8.285 -11.686 808 1HG1 VAL 105 1HG1 VAL 105 13.734 8.907 -9.639 809 2HG1 VAL 105 2HG1 VAL 105 12.584 10.217 -9.368 810 3HG1 VAL 105 3HG1 VAL 105 12.043 8.540 -9.305 811 1HG2 VAL 105 1HG2 VAL 105 10.313 8.891 -11.105 812 2HG2 VAL 105 2HG2 VAL 105 10.748 10.598 -11.038 813 3HG2 VAL 105 3HG2 VAL 105 10.775 9.740 -12.578
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