NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
20976 | 2gtv | 7093 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1HT MET 1 -15.858 -11.339 -3.817 2 2H MET 1 2HT MET 1 -17.366 -10.575 -3.652 3 3H MET 1 3HT MET 1 -16.780 -10.977 -5.195 4 HA MET 1 HA MET 1 -18.506 -12.475 -3.767 5 1HB MET 1 2HB MET 1 -16.466 -13.339 -5.846 6 2HB MET 1 1HB MET 1 -17.895 -14.270 -5.397 7 1HG MET 1 2HG MET 1 -17.967 -11.438 -6.492 8 2HG MET 1 1HG MET 1 -18.249 -12.887 -7.456 9 1HE MET 1 1HE MET 1 -21.012 -13.880 -7.625 10 2HE MET 1 2HE MET 1 -21.203 -14.576 -6.018 11 3HE MET 1 3HE MET 1 -19.640 -14.657 -6.825 12 H ILE 2 H ILE 2 -14.977 -12.733 -3.688 13 HA ILE 2 HA ILE 2 -15.248 -14.513 -1.315 14 HB ILE 2 HB ILE 2 -13.379 -15.923 -2.182 15 1HG1 ILE 2 2HG1 ILE 2 -13.844 -14.381 -4.758 16 2HG1 ILE 2 1HG1 ILE 2 -12.439 -14.189 -3.708 17 1HG2 ILE 2 1HG2 ILE 2 -14.723 -17.222 -3.682 18 2HG2 ILE 2 2HG2 ILE 2 -15.654 -15.809 -4.176 19 3HG2 ILE 2 3HG2 ILE 2 -15.842 -16.463 -2.549 20 1HD1 ILE 2 1HD1 ILE 2 -13.267 -16.739 -5.126 21 2HD1 ILE 2 2HD1 ILE 2 -11.901 -16.593 -4.020 22 3HD1 ILE 2 3HD1 ILE 2 -11.897 -15.712 -5.548 23 H GLU 3 H GLU 3 -12.598 -14.874 -0.721 24 HA GLU 3 HA GLU 3 -11.766 -12.483 0.496 25 1HB GLU 3 2HB GLU 3 -9.483 -13.544 0.560 26 2HB GLU 3 1HB GLU 3 -10.774 -14.603 1.126 27 1HG GLU 3 2HG GLU 3 -10.868 -15.697 -1.071 28 2HG GLU 3 1HG GLU 3 -9.605 -14.623 -1.673 29 H LYS 4 H LYS 4 -12.543 -11.665 -2.046 30 HA LYS 4 HA LYS 4 -10.397 -11.302 -3.904 31 1HB LYS 4 2HB LYS 4 -12.896 -9.660 -3.376 32 2HB LYS 4 1HB LYS 4 -11.811 -9.380 -4.739 33 1HG LYS 4 2HG LYS 4 -12.206 -11.643 -5.571 34 2HG LYS 4 1HG LYS 4 -13.210 -12.014 -4.168 35 1HD LYS 4 2HD LYS 4 -14.780 -11.460 -5.847 36 2HD LYS 4 1HD LYS 4 -14.636 -9.979 -4.902 37 1HE LYS 4 2HE LYS 4 -13.187 -8.974 -6.526 38 2HE LYS 4 1HE LYS 4 -12.981 -10.503 -7.380 39 1HZ LYS 4 1HZ LYS 4 -15.730 -9.799 -7.133 40 2HZ LYS 4 2HZ LYS 4 -14.831 -10.158 -8.529 41 3HZ LYS 4 3HZ LYS 4 -14.853 -8.575 -7.914 42 H LEU 5 H LEU 5 -11.499 -9.352 -1.149 43 HA LEU 5 HA LEU 5 -9.784 -7.108 -1.492 44 1HB LEU 5 2HB LEU 5 -11.728 -7.540 0.193 45 2HB LEU 5 1HB LEU 5 -10.479 -8.256 1.206 46 HG LEU 5 HG LEU 5 -9.873 -5.577 0.053 47 1HD1 LEU 5 1HD1 LEU 5 -11.928 -6.071 2.232 48 2HD1 LEU 5 2HD1 LEU 5 -12.181 -5.223 0.706 49 3HD1 LEU 5 3HD1 LEU 5 -11.153 -4.511 1.949 50 1HD2 LEU 5 1HD2 LEU 5 -8.295 -6.752 1.545 51 2HD2 LEU 5 2HD2 LEU 5 -9.543 -6.864 2.788 52 3HD2 LEU 5 3HD2 LEU 5 -8.900 -5.289 2.322 53 H ALA 6 H ALA 6 -9.217 -10.294 -0.104 54 HA ALA 6 HA ALA 6 -6.693 -9.761 1.125 55 1HB ALA 6 1HB ALA 6 -7.470 -12.383 -0.158 56 2HB ALA 6 2HB ALA 6 -8.171 -11.837 1.366 57 3HB ALA 6 3HB ALA 6 -6.435 -12.123 1.246 58 H GLU 7 H GLU 7 -7.382 -11.207 -2.092 59 HA GLU 7 HA GLU 7 -4.698 -11.354 -2.970 60 1HB GLU 7 2HB GLU 7 -7.220 -10.845 -4.571 61 2HB GLU 7 1HB GLU 7 -5.658 -11.266 -5.277 62 1HG GLU 7 2HG GLU 7 -7.123 -12.966 -3.237 63 2HG GLU 7 1HG GLU 7 -7.159 -13.245 -4.978 64 H ILE 8 H ILE 8 -6.894 -8.608 -2.835 65 HA ILE 8 HA ILE 8 -5.431 -6.834 -4.538 66 HB ILE 8 HB ILE 8 -7.246 -6.341 -2.173 67 1HG1 ILE 8 2HG1 ILE 8 -7.650 -5.843 -5.137 68 2HG1 ILE 8 1HG1 ILE 8 -8.180 -7.311 -4.314 69 1HG2 ILE 8 1HG2 ILE 8 -6.148 -4.325 -2.127 70 2HG2 ILE 8 2HG2 ILE 8 -7.243 -3.978 -3.465 71 3HG2 ILE 8 3HG2 ILE 8 -5.583 -4.476 -3.790 72 1HD1 ILE 8 1HD1 ILE 8 -9.405 -4.659 -4.331 73 2HD1 ILE 8 2HD1 ILE 8 -9.146 -5.260 -2.694 74 3HD1 ILE 8 3HD1 ILE 8 -10.093 -6.207 -3.840 75 H ARG 9 H ARG 9 -5.274 -7.335 -0.998 76 HA ARG 9 HA ARG 9 -3.190 -5.392 -0.582 77 1HB ARG 9 2HB ARG 9 -4.614 -7.420 1.012 78 2HB ARG 9 1HB ARG 9 -2.927 -7.219 1.492 79 1HG ARG 9 2HG ARG 9 -4.357 -5.648 2.734 80 2HG ARG 9 1HG ARG 9 -3.275 -4.760 1.662 81 1HD ARG 9 2HD ARG 9 -4.993 -4.194 0.185 82 2HD ARG 9 1HD ARG 9 -5.986 -5.567 0.671 83 HE ARG 9 HE ARG 9 -6.071 -2.950 1.872 84 1HH1 ARG 9 1HH2 ARG 9 -6.163 -6.330 2.539 85 2HH1 ARG 9 2HH2 ARG 9 -6.930 -6.143 4.084 86 1HH2 ARG 9 1HH1 ARG 9 -7.221 -2.698 3.819 87 2HH2 ARG 9 2HH1 ARG 9 -7.504 -4.084 4.821 88 H LYS 10 H LYS 10 -3.188 -8.661 -1.753 89 HA LYS 10 HA LYS 10 -0.430 -9.286 -1.120 90 1HB LYS 10 2HB LYS 10 -2.421 -10.400 -3.119 91 2HB LYS 10 1HB LYS 10 -0.772 -11.014 -3.001 92 1HG LYS 10 2HG LYS 10 -1.185 -11.433 -0.544 93 2HG LYS 10 1HG LYS 10 -2.875 -11.004 -0.814 94 1HD LYS 10 2HD LYS 10 -3.006 -12.800 -2.553 95 2HD LYS 10 1HD LYS 10 -1.360 -13.279 -2.131 96 1HE LYS 10 2HE LYS 10 -3.610 -13.148 -0.107 97 2HE LYS 10 1HE LYS 10 -3.187 -14.619 -0.985 98 1HZ LYS 10 1HZ LYS 10 -0.827 -14.116 -0.140 99 2HZ LYS 10 2HZ LYS 10 -1.953 -14.788 0.940 100 3HZ LYS 10 3HZ LYS 10 -1.599 -13.126 1.001 101 H LYS 11 H LYS 11 -2.118 -7.793 -3.863 102 HA LYS 11 HA LYS 11 0.163 -7.632 -5.608 103 1HB LYS 11 2HB LYS 11 -2.064 -5.585 -5.565 104 2HB LYS 11 1HB LYS 11 -1.154 -6.180 -6.951 105 1HG LYS 11 2HG LYS 11 -2.277 -8.495 -5.967 106 2HG LYS 11 1HG LYS 11 -3.542 -7.307 -5.654 107 1HD LYS 11 2HD LYS 11 -2.238 -7.943 -8.315 108 2HD LYS 11 1HD LYS 11 -3.929 -8.172 -7.870 109 1HE LYS 11 2HE LYS 11 -3.584 -5.503 -7.344 110 2HE LYS 11 1HE LYS 11 -2.531 -5.727 -8.741 111 1HZ LYS 11 1HZ LYS 11 -4.350 -6.694 -9.956 112 2HZ LYS 11 2HZ LYS 11 -4.827 -5.177 -9.359 113 3HZ LYS 11 3HZ LYS 11 -5.367 -6.599 -8.603 114 H ILE 12 H ILE 12 -1.173 -5.503 -3.106 115 HA ILE 12 HA ILE 12 0.557 -3.273 -3.523 116 HB ILE 12 HB ILE 12 -0.510 -4.242 -0.854 117 1HG1 ILE 12 2HG1 ILE 12 -2.392 -4.184 -2.359 118 2HG1 ILE 12 1HG1 ILE 12 -2.460 -2.712 -1.391 119 1HG2 ILE 12 1HG2 ILE 12 -0.038 -1.422 -1.844 120 2HG2 ILE 12 2HG2 ILE 12 1.178 -2.340 -0.955 121 3HG2 ILE 12 3HG2 ILE 12 -0.361 -1.942 -0.191 122 1HD1 ILE 12 1HD1 ILE 12 -2.812 -1.920 -3.574 123 2HD1 ILE 12 2HD1 ILE 12 -1.643 -3.041 -4.270 124 3HD1 ILE 12 3HD1 ILE 12 -1.085 -1.653 -3.334 125 H ASP 13 H ASP 13 0.948 -6.310 -1.789 126 HA ASP 13 HA ASP 13 3.342 -5.703 -0.368 127 1HB ASP 13 2HB ASP 13 2.255 -8.302 -1.492 128 2HB ASP 13 1HB ASP 13 3.698 -8.225 -0.483 129 H GLU 14 H GLU 14 2.800 -6.956 -3.655 130 HA GLU 14 HA GLU 14 5.561 -7.290 -4.341 131 1HB GLU 14 2HB GLU 14 3.131 -6.697 -6.053 132 2HB GLU 14 1HB GLU 14 4.718 -7.085 -6.712 133 1HG GLU 14 2HG GLU 14 4.686 -9.257 -5.563 134 2HG GLU 14 1HG GLU 14 3.121 -8.868 -4.847 135 H ILE 15 H ILE 15 3.397 -4.515 -4.319 136 HA ILE 15 HA ILE 15 5.300 -2.767 -5.703 137 HB ILE 15 HB ILE 15 2.657 -2.340 -4.305 138 1HG1 ILE 15 2HG1 ILE 15 2.270 -1.279 -6.666 139 2HG1 ILE 15 1HG1 ILE 15 3.718 -2.179 -7.120 140 1HG2 ILE 15 1HG2 ILE 15 3.780 -0.379 -3.649 141 2HG2 ILE 15 2HG2 ILE 15 2.994 0.094 -5.155 142 3HG2 ILE 15 3HG2 ILE 15 4.712 -0.303 -5.144 143 1HD1 ILE 15 1HD1 ILE 15 1.252 -3.397 -5.834 144 2HD1 ILE 15 2HD1 ILE 15 2.685 -4.274 -6.374 145 3HD1 ILE 15 3HD1 ILE 15 1.640 -3.480 -7.553 146 H ASP 16 H ASP 16 4.499 -3.634 -2.411 147 HA ASP 16 HA ASP 16 5.680 -1.443 -1.036 148 1HB ASP 16 2HB ASP 16 5.315 -4.360 -0.299 149 2HB ASP 16 1HB ASP 16 5.971 -3.175 0.830 150 H ASN 17 H ASN 17 7.111 -4.599 -1.930 151 HA ASN 17 HA ASN 17 9.745 -4.018 -1.026 152 1HB ASN 17 2HB ASN 17 8.742 -5.829 -3.243 153 2HB ASN 17 1HB ASN 17 10.421 -5.777 -2.713 154 1HD2 ASN 17 1HD2 ASN 17 8.797 -8.145 -2.435 155 2HD2 ASN 17 2HD2 ASN 17 8.581 -8.438 -0.770 156 H LYS 18 H LYS 18 8.110 -3.344 -4.085 157 HA LYS 18 HA LYS 18 10.374 -2.555 -5.617 158 1HB LYS 18 2HB LYS 18 8.063 -2.962 -6.505 159 2HB LYS 18 1HB LYS 18 7.564 -1.429 -5.794 160 1HG LYS 18 2HG LYS 18 9.217 -0.234 -7.175 161 2HG LYS 18 1HG LYS 18 9.751 -1.764 -7.872 162 1HD LYS 18 2HD LYS 18 7.443 -2.147 -8.732 163 2HD LYS 18 1HD LYS 18 6.968 -0.572 -8.098 164 1HE LYS 18 2HE LYS 18 8.577 0.545 -9.557 165 2HE LYS 18 1HE LYS 18 9.174 -1.011 -10.135 166 1HZ LYS 18 1HZ LYS 18 6.357 -0.862 -10.407 167 2HZ LYS 18 2HZ LYS 18 7.538 -1.113 -11.604 168 3HZ LYS 18 3HZ LYS 18 7.084 0.466 -11.173 169 H ILE 19 H ILE 19 8.217 -0.582 -3.543 170 HA ILE 19 HA ILE 19 9.660 1.874 -4.081 171 HB ILE 19 HB ILE 19 7.350 1.970 -3.352 172 1HG1 ILE 19 2HG1 ILE 19 9.350 3.557 -2.404 173 2HG1 ILE 19 1HG1 ILE 19 7.642 3.840 -2.075 174 1HG2 ILE 19 1HG2 ILE 19 6.842 1.329 -0.940 175 2HG2 ILE 19 2HG2 ILE 19 8.399 0.501 -0.926 176 3HG2 ILE 19 3HG2 ILE 19 7.133 -0.018 -2.041 177 1HD1 ILE 19 1HD1 ILE 19 7.770 2.786 0.057 178 2HD1 ILE 19 2HD1 ILE 19 9.189 3.828 -0.037 179 3HD1 ILE 19 3HD1 ILE 19 9.351 2.092 -0.300 180 H LEU 20 H LEU 20 10.090 -0.757 -1.821 181 HA LEU 20 HA LEU 20 11.897 0.785 -0.086 182 1HB LEU 20 2HB LEU 20 11.098 -2.131 -0.225 183 2HB LEU 20 1HB LEU 20 12.366 -1.564 0.860 184 HG LEU 20 HG LEU 20 9.527 -0.489 0.825 185 1HD1 LEU 20 1HD1 LEU 20 9.102 -1.834 2.743 186 2HD1 LEU 20 2HD1 LEU 20 10.807 -2.242 2.929 187 3HD1 LEU 20 3HD1 LEU 20 9.880 -2.918 1.589 188 1HD2 LEU 20 1HD2 LEU 20 10.521 0.174 3.234 189 2HD2 LEU 20 2HD2 LEU 20 10.707 1.225 1.830 190 3HD2 LEU 20 3HD2 LEU 20 12.029 0.166 2.320 191 H LYS 21 H LYS 21 12.126 -0.681 -3.112 192 HA LYS 21 HA LYS 21 13.954 -1.266 -4.466 193 1HB LYS 21 2HB LYS 21 15.509 0.377 -2.447 194 2HB LYS 21 1HB LYS 21 16.014 -0.011 -4.089 195 1HG LYS 21 2HG LYS 21 14.231 1.315 -5.030 196 2HG LYS 21 1HG LYS 21 13.483 1.528 -3.448 197 1HD LYS 21 2HD LYS 21 14.644 3.557 -3.819 198 2HD LYS 21 1HD LYS 21 15.701 2.640 -2.748 199 1HE LYS 21 2HE LYS 21 17.101 1.960 -4.600 200 2HE LYS 21 1HE LYS 21 15.967 2.638 -5.767 201 1HZ LYS 21 1HZ LYS 21 18.108 3.920 -4.667 202 2HZ LYS 21 2HZ LYS 21 16.783 4.553 -3.812 203 3HZ LYS 21 3HZ LYS 21 16.830 4.652 -5.507 204 H ALA 22 H ALA 22 13.688 -3.512 -3.647 205 HA ALA 22 HA ALA 22 15.554 -4.340 -1.517 206 1HB ALA 22 1HB ALA 22 14.505 -6.551 -1.764 207 2HB ALA 22 2HB ALA 22 13.622 -5.984 -3.182 208 3HB ALA 22 3HB ALA 22 13.274 -5.299 -1.593 209 H ARG 23 H ARG 23 14.877 -6.036 -4.572 210 HA ARG 23 HA ARG 23 17.758 -6.640 -4.809 211 1HB ARG 23 2HB ARG 23 15.329 -7.555 -6.385 212 2HB ARG 23 1HB ARG 23 16.978 -8.054 -6.757 213 1HG ARG 23 2HG ARG 23 17.206 -8.998 -4.475 214 2HG ARG 23 1HG ARG 23 15.554 -8.500 -4.111 215 1HD ARG 23 2HD ARG 23 16.319 -10.426 -6.339 216 2HD ARG 23 1HD ARG 23 15.706 -10.925 -4.758 217 HE ARG 23 HE ARG 23 14.088 -9.969 -6.941 218 1HH1 ARG 23 1HH2 ARG 23 14.489 -9.875 -3.518 219 2HH1 ARG 23 2HH2 ARG 23 12.826 -9.509 -3.202 220 1HH2 ARG 23 1HH1 ARG 23 11.905 -9.459 -6.535 221 2HH2 ARG 23 2HH1 ARG 23 11.370 -9.274 -4.896 222 H TRP 24 H TRP 24 15.291 -4.708 -6.431 223 HA TRP 24 HA TRP 24 17.033 -4.058 -8.695 224 1HB TRP 24 2HB TRP 24 14.440 -2.744 -7.828 225 2HB TRP 24 1HB TRP 24 15.228 -2.570 -9.393 226 HD1 TRP 24 HD TRP 24 15.775 -5.268 -10.468 227 HE1 TRP 24 1HE TRP 24 13.988 -7.102 -10.780 228 HE3 TRP 24 3HE TRP 24 12.212 -3.584 -7.226 229 HZ2 TRP 24 2HZ TRP 24 11.387 -7.767 -9.780 230 HZ3 TRP 24 3HZ TRP 24 10.093 -4.832 -6.922 231 HH2 TRP 24 HH TRP 24 9.676 -6.919 -8.193 232 HA PRO 25 HA PRO 25 19.351 -1.048 -6.284 233 1HB PRO 25 2HB PRO 25 20.060 -0.241 -9.087 234 2HB PRO 25 1HB PRO 25 21.121 -0.489 -7.684 235 1HG PRO 25 2HG PRO 25 20.998 -2.313 -9.570 236 2HG PRO 25 1HG PRO 25 21.031 -2.802 -7.865 237 1HD PRO 25 2HD PRO 25 18.703 -2.751 -9.764 238 2HD PRO 25 1HD PRO 25 19.094 -3.930 -8.492 239 H TRP 26 H TRP 26 17.559 -0.096 -9.227 240 HA TRP 26 HA TRP 26 16.907 2.486 -7.861 241 1HB TRP 26 2HB TRP 26 18.261 2.739 -9.940 242 2HB TRP 26 1HB TRP 26 16.986 1.918 -10.840 243 HD1 TRP 26 HD TRP 26 17.517 5.077 -8.692 244 HE1 TRP 26 1HE TRP 26 15.828 6.866 -9.463 245 HE3 TRP 26 3HE TRP 26 14.871 2.370 -12.115 246 HZ2 TRP 26 2HZ TRP 26 13.639 7.113 -11.293 247 HZ3 TRP 26 3HZ TRP 26 12.993 3.401 -13.357 248 HH2 TRP 26 HH TRP 26 12.373 5.768 -12.951 249 H ALA 27 H ALA 27 14.707 3.295 -8.241 250 HA ALA 27 HA ALA 27 12.763 1.432 -9.428 251 1HB ALA 27 1HB ALA 27 11.443 1.174 -7.391 252 2HB ALA 27 2HB ALA 27 12.582 2.178 -6.492 253 3HB ALA 27 3HB ALA 27 13.084 0.597 -7.093 254 H GLU 28 H GLU 28 10.709 2.445 -9.780 255 HA GLU 28 HA GLU 28 10.810 5.422 -9.547 256 1HB GLU 28 2HB GLU 28 9.124 5.404 -11.380 257 2HB GLU 28 1HB GLU 28 10.623 4.605 -11.853 258 1HG GLU 28 2HG GLU 28 9.615 2.409 -11.317 259 2HG GLU 28 1HG GLU 28 8.110 3.215 -10.877 260 H LYS 29 H LYS 29 8.804 6.503 -8.950 261 HA LYS 29 HA LYS 29 7.331 5.003 -6.896 262 1HB LYS 29 2HB LYS 29 7.141 7.890 -7.817 263 2HB LYS 29 1HB LYS 29 6.234 7.211 -6.467 264 1HG LYS 29 2HG LYS 29 8.326 6.648 -5.314 265 2HG LYS 29 1HG LYS 29 9.259 7.272 -6.674 266 1HD LYS 29 2HD LYS 29 8.243 9.510 -6.320 267 2HD LYS 29 1HD LYS 29 7.368 8.875 -4.927 268 1HE LYS 29 2HE LYS 29 10.383 8.762 -5.166 269 2HE LYS 29 1HE LYS 29 9.531 10.089 -4.376 270 1HZ LYS 29 1HZ LYS 29 8.975 7.301 -3.615 271 2HZ LYS 29 2HZ LYS 29 8.768 8.720 -2.705 272 3HZ LYS 29 3HZ LYS 29 10.327 8.101 -2.977 273 H LEU 30 H LEU 30 5.272 4.207 -7.139 274 HA LEU 30 HA LEU 30 3.845 4.922 -9.667 275 1HB LEU 30 2HB LEU 30 2.800 2.484 -9.082 276 2HB LEU 30 1HB LEU 30 4.190 2.711 -10.142 277 HG LEU 30 HG LEU 30 4.652 2.471 -7.186 278 1HD1 LEU 30 1HD1 LEU 30 4.210 0.149 -9.090 279 2HD1 LEU 30 2HD1 LEU 30 3.158 0.585 -7.743 280 3HD1 LEU 30 3HD1 LEU 30 4.798 0.015 -7.433 281 1HD2 LEU 30 1HD2 LEU 30 6.253 1.251 -9.425 282 2HD2 LEU 30 2HD2 LEU 30 6.807 1.817 -7.849 283 3HD2 LEU 30 3HD2 LEU 30 6.374 2.980 -9.103 284 H ILE 31 H ILE 31 2.801 6.622 -8.367 285 HA ILE 31 HA ILE 31 1.240 6.025 -6.028 286 HB ILE 31 HB ILE 31 0.735 8.233 -8.048 287 1HG1 ILE 31 2HG1 ILE 31 3.081 8.302 -7.394 288 2HG1 ILE 31 1HG1 ILE 31 2.222 9.586 -6.543 289 1HG2 ILE 31 1HG2 ILE 31 -1.028 7.868 -6.339 290 2HG2 ILE 31 2HG2 ILE 31 -0.199 9.405 -6.099 291 3HG2 ILE 31 3HG2 ILE 31 0.186 8.025 -5.070 292 1HD1 ILE 31 1HD1 ILE 31 1.924 7.787 -4.664 293 2HD1 ILE 31 2HD1 ILE 31 3.472 8.614 -4.818 294 3HD1 ILE 31 3HD1 ILE 31 3.276 6.985 -5.463 295 H ALA 32 H ALA 32 0.432 6.160 -9.493 296 HA ALA 32 HA ALA 32 -2.347 5.852 -9.377 297 1HB ALA 32 1HB ALA 32 -0.866 6.078 -11.447 298 2HB ALA 32 2HB ALA 32 -2.224 4.963 -11.592 299 3HB ALA 32 3HB ALA 32 -0.596 4.338 -11.327 300 H GLU 33 H GLU 33 0.077 3.207 -9.442 301 HA GLU 33 HA GLU 33 -1.629 1.009 -9.277 302 1HB GLU 33 2HB GLU 33 1.015 1.457 -7.858 303 2HB GLU 33 1HB GLU 33 0.220 -0.111 -7.987 304 1HG GLU 33 2HG GLU 33 1.003 1.600 -10.364 305 2HG GLU 33 1HG GLU 33 1.970 0.261 -9.744 306 H ARG 34 H ARG 34 -0.263 2.771 -6.461 307 HA ARG 34 HA ARG 34 -1.796 1.414 -4.486 308 1HB ARG 34 2HB ARG 34 0.112 2.861 -3.907 309 2HB ARG 34 1HB ARG 34 -0.765 4.271 -4.485 310 1HG ARG 34 2HG ARG 34 -0.959 4.211 -2.061 311 2HG ARG 34 1HG ARG 34 -2.529 3.804 -2.756 312 1HD ARG 34 2HD ARG 34 -0.816 1.497 -2.404 313 2HD ARG 34 1HD ARG 34 -1.131 2.308 -0.899 314 HE ARG 34 HE ARG 34 -3.644 1.948 -2.271 315 1HH1 ARG 34 1HH2 ARG 34 -1.011 0.218 -0.909 316 2HH1 ARG 34 2HH2 ARG 34 -1.973 -1.141 -0.434 317 1HH2 ARG 34 1HH1 ARG 34 -4.945 0.169 -1.667 318 2HH2 ARG 34 2HH1 ARG 34 -4.187 -1.166 -0.856 319 H ASN 35 H ASN 35 -2.483 4.413 -6.284 320 HA ASN 35 HA ASN 35 -4.971 4.980 -5.032 321 1HB ASN 35 2HB ASN 35 -3.867 6.634 -6.474 322 2HB ASN 35 1HB ASN 35 -4.047 5.558 -7.866 323 1HD2 ASN 35 1HD2 ASN 35 -5.191 8.118 -7.984 324 2HD2 ASN 35 2HD2 ASN 35 -6.887 7.987 -7.918 325 H SER 36 H SER 36 -4.175 2.959 -7.856 326 HA SER 36 HA SER 36 -6.740 2.330 -8.790 327 1HB SER 36 2HB SER 36 -4.629 1.498 -9.803 328 2HB SER 36 1HB SER 36 -4.420 0.401 -8.442 329 HG SER 36 HG SER 36 -6.425 0.421 -10.436 330 H LEU 37 H LEU 37 -5.144 -0.255 -7.003 331 HA LEU 37 HA LEU 37 -7.291 -1.611 -6.020 332 1HB LEU 37 2HB LEU 37 -4.818 -0.868 -4.436 333 2HB LEU 37 1HB LEU 37 -5.977 -2.087 -3.925 334 HG LEU 37 HG LEU 37 -4.117 -3.193 -5.006 335 1HD1 LEU 37 1HD1 LEU 37 -6.670 -3.696 -5.621 336 2HD1 LEU 37 2HD1 LEU 37 -5.339 -4.598 -6.348 337 3HD1 LEU 37 3HD1 LEU 37 -6.093 -3.271 -7.233 338 1HD2 LEU 37 1HD2 LEU 37 -3.624 -1.009 -6.375 339 2HD2 LEU 37 2HD2 LEU 37 -4.658 -1.764 -7.589 340 3HD2 LEU 37 3HD2 LEU 37 -3.190 -2.579 -7.049 341 H ALA 38 H ALA 38 -6.187 1.530 -4.897 342 HA ALA 38 HA ALA 38 -7.503 1.755 -2.430 343 1HB ALA 38 1HB ALA 38 -6.027 3.445 -3.908 344 2HB ALA 38 2HB ALA 38 -7.032 3.990 -2.563 345 3HB ALA 38 3HB ALA 38 -7.624 4.124 -4.219 346 H LYS 39 H LYS 39 -8.830 2.740 -5.609 347 HA LYS 39 HA LYS 39 -11.451 3.294 -4.500 348 1HB LYS 39 2HB LYS 39 -12.126 3.565 -6.854 349 2HB LYS 39 1HB LYS 39 -10.603 4.395 -6.544 350 1HG LYS 39 2HG LYS 39 -9.864 3.264 -8.370 351 2HG LYS 39 1HG LYS 39 -9.712 1.909 -7.253 352 1HD LYS 39 2HD LYS 39 -10.998 0.961 -8.950 353 2HD LYS 39 1HD LYS 39 -12.245 1.511 -7.831 354 1HE LYS 39 2HE LYS 39 -13.067 2.431 -9.782 355 2HE LYS 39 1HE LYS 39 -12.022 3.754 -9.265 356 1HZ LYS 39 1HZ LYS 39 -11.832 2.847 -11.659 357 2HZ LYS 39 2HZ LYS 39 -10.936 1.594 -10.944 358 3HZ LYS 39 3HZ LYS 39 -10.417 3.205 -10.798 359 H ASP 40 H ASP 40 -10.071 0.569 -6.335 360 HA ASP 40 HA ASP 40 -12.463 -0.929 -6.643 361 1HB ASP 40 2HB ASP 40 -9.540 -1.619 -6.517 362 2HB ASP 40 1HB ASP 40 -10.732 -2.919 -6.529 363 H VAL 41 H VAL 41 -10.116 -0.837 -3.965 364 HA VAL 41 HA VAL 41 -11.371 -2.887 -2.397 365 HB VAL 41 HB VAL 41 -9.690 -0.514 -1.530 366 1HG1 VAL 41 1HG1 VAL 41 -10.237 -1.165 0.559 367 2HG1 VAL 41 2HG1 VAL 41 -9.343 -2.650 0.240 368 3HG1 VAL 41 3HG1 VAL 41 -11.083 -2.591 -0.041 369 1HG2 VAL 41 1HG2 VAL 41 -8.650 -3.305 -1.608 370 2HG2 VAL 41 2HG2 VAL 41 -7.819 -1.788 -1.952 371 3HG2 VAL 41 3HG2 VAL 41 -8.882 -2.504 -3.163 372 H ALA 42 H ALA 42 -11.700 0.653 -2.452 373 HA ALA 42 HA ALA 42 -13.422 1.052 -0.296 374 1HB ALA 42 1HB ALA 42 -12.529 2.611 -2.365 375 2HB ALA 42 2HB ALA 42 -13.744 3.123 -1.194 376 3HB ALA 42 3HB ALA 42 -14.244 2.472 -2.755 377 H GLU 43 H GLU 43 -14.284 0.028 -3.598 378 HA GLU 43 HA GLU 43 -17.086 -0.137 -3.295 379 1HB GLU 43 2HB GLU 43 -15.810 -0.498 -5.433 380 2HB GLU 43 1HB GLU 43 -15.331 -2.083 -4.828 381 1HG GLU 43 2HG GLU 43 -17.264 -2.409 -6.231 382 2HG GLU 43 1HG GLU 43 -17.785 -2.621 -4.561 383 H ILE 44 H ILE 44 -14.790 -2.873 -2.996 384 HA ILE 44 HA ILE 44 -16.542 -4.756 -1.893 385 HB ILE 44 HB ILE 44 -13.674 -4.377 -1.014 386 1HG1 ILE 44 2HG1 ILE 44 -13.661 -4.338 -3.427 387 2HG1 ILE 44 1HG1 ILE 44 -13.153 -5.948 -2.921 388 1HG2 ILE 44 1HG2 ILE 44 -15.426 -6.837 -1.261 389 2HG2 ILE 44 2HG2 ILE 44 -14.967 -6.050 0.250 390 3HG2 ILE 44 3HG2 ILE 44 -13.739 -6.828 -0.750 391 1HD1 ILE 44 1HD1 ILE 44 -14.725 -6.378 -4.620 392 2HD1 ILE 44 2HD1 ILE 44 -15.800 -5.091 -4.076 393 3HD1 ILE 44 3HD1 ILE 44 -15.660 -6.579 -3.139 394 H LYS 45 H LYS 45 -14.833 -2.106 -0.277 395 HA LYS 45 HA LYS 45 -15.339 -2.867 2.420 396 1HB LYS 45 2HB LYS 45 -15.079 -0.108 1.172 397 2HB LYS 45 1HB LYS 45 -15.118 -0.403 2.909 398 1HG LYS 45 2HG LYS 45 -13.146 -1.882 1.183 399 2HG LYS 45 1HG LYS 45 -12.796 -0.234 1.707 400 1HD LYS 45 2HD LYS 45 -13.408 -1.083 4.084 401 2HD LYS 45 1HD LYS 45 -13.200 -2.697 3.405 402 1HE LYS 45 2HE LYS 45 -11.089 -2.002 4.387 403 2HE LYS 45 1HE LYS 45 -10.909 -2.014 2.633 404 1HZ LYS 45 1HZ LYS 45 -10.569 0.172 2.594 405 2HZ LYS 45 2HZ LYS 45 -10.347 0.077 4.276 406 3HZ LYS 45 3HZ LYS 45 -11.866 0.493 3.639 407 H ASN 46 H ASN 46 -17.251 -0.851 0.189 408 HA ASN 46 HA ASN 46 -19.374 -0.231 1.982 409 1HB ASN 46 2HB ASN 46 -19.062 0.886 -0.197 410 2HB ASN 46 1HB ASN 46 -19.443 -0.622 -1.027 411 1HD2 ASN 46 1HD2 ASN 46 -21.499 -0.340 -1.906 412 2HD2 ASN 46 2HD2 ASN 46 -22.843 0.251 -1.054 413 H GLN 47 H GLN 47 -18.789 -3.014 -0.125 414 HA GLN 47 HA GLN 47 -21.377 -4.229 0.462 415 1HB GLN 47 2HB GLN 47 -20.837 -5.634 -1.230 416 2HB GLN 47 1HB GLN 47 -19.434 -4.601 -1.491 417 1HG GLN 47 2HG GLN 47 -18.192 -6.004 0.201 418 2HG GLN 47 1HG GLN 47 -19.564 -7.111 0.193 419 1HE2 GLN 47 1HE2 GLN 47 -19.277 -5.731 -2.881 420 2HE2 GLN 47 2HE2 GLN 47 -18.390 -6.967 -3.633 421 H LEU 48 H LEU 48 -18.468 -3.908 2.152 422 HA LEU 48 HA LEU 48 -18.810 -6.440 3.666 423 1HB LEU 48 2HB LEU 48 -16.692 -4.271 3.692 424 2HB LEU 48 1HB LEU 48 -16.763 -5.520 4.932 425 HG LEU 48 HG LEU 48 -16.685 -6.179 1.979 426 1HD1 LEU 48 1HD1 LEU 48 -14.453 -5.645 3.940 427 2HD1 LEU 48 2HD1 LEU 48 -14.641 -5.029 2.300 428 3HD1 LEU 48 3HD1 LEU 48 -14.216 -6.720 2.563 429 1HD2 LEU 48 1HD2 LEU 48 -15.627 -8.300 3.091 430 2HD2 LEU 48 2HD2 LEU 48 -17.375 -8.083 3.181 431 3HD2 LEU 48 3HD2 LEU 48 -16.365 -7.689 4.573 432 H GLY 49 H GLY 49 -19.956 -3.296 3.709 433 1HA GLY 49 2HA GLY 49 -21.192 -2.089 5.288 434 2HA GLY 49 1HA GLY 49 -21.374 -3.608 6.159 435 H ILE 50 H ILE 50 -18.499 -1.554 5.462 436 HA ILE 50 HA ILE 50 -18.239 -1.028 8.360 437 HB ILE 50 HB ILE 50 -15.693 -1.686 8.022 438 1HG1 ILE 50 2HG1 ILE 50 -15.516 -3.753 6.647 439 2HG1 ILE 50 1HG1 ILE 50 -17.165 -3.495 6.079 440 1HG2 ILE 50 1HG2 ILE 50 -17.892 -3.722 8.483 441 2HG2 ILE 50 2HG2 ILE 50 -17.249 -2.618 9.700 442 3HG2 ILE 50 3HG2 ILE 50 -16.216 -3.874 9.015 443 1HD1 ILE 50 1HD1 ILE 50 -15.180 -1.266 5.800 444 2HD1 ILE 50 2HD1 ILE 50 -16.577 -1.646 4.794 445 3HD1 ILE 50 3HD1 ILE 50 -15.107 -2.612 4.663 446 HA PRO 51 HA PRO 51 -16.739 2.897 7.184 447 1HB PRO 51 2HB PRO 51 -14.493 3.175 8.792 448 2HB PRO 51 1HB PRO 51 -16.165 3.416 9.338 449 1HG PRO 51 2HG PRO 51 -14.449 0.971 9.545 450 2HG PRO 51 1HG PRO 51 -15.460 1.744 10.784 451 1HD PRO 51 2HD PRO 51 -16.395 -0.403 9.564 452 2HD PRO 51 1HD PRO 51 -17.479 0.987 9.778 453 H ILE 52 H ILE 52 -15.362 3.846 5.695 454 HA ILE 52 HA ILE 52 -13.699 2.184 4.066 455 HB ILE 52 HB ILE 52 -13.665 5.212 4.308 456 1HG1 ILE 52 2HG1 ILE 52 -15.278 3.487 2.409 457 2HG1 ILE 52 1HG1 ILE 52 -15.934 4.153 3.903 458 1HG2 ILE 52 1HG2 ILE 52 -13.056 4.902 1.807 459 2HG2 ILE 52 2HG2 ILE 52 -12.664 3.241 2.252 460 3HG2 ILE 52 3HG2 ILE 52 -11.799 4.582 3.002 461 1HD1 ILE 52 1HD1 ILE 52 -15.607 6.404 3.149 462 2HD1 ILE 52 2HD1 ILE 52 -16.361 5.540 1.809 463 3HD1 ILE 52 3HD1 ILE 52 -14.630 5.871 1.782 464 H ASN 53 H ASN 53 -12.925 4.561 6.607 465 HA ASN 53 HA ASN 53 -10.080 4.269 6.343 466 1HB ASN 53 2HB ASN 53 -11.431 6.129 7.584 467 2HB ASN 53 1HB ASN 53 -11.430 4.999 8.939 468 1HD2 ASN 53 1HD2 ASN 53 -9.052 3.935 9.222 469 2HD2 ASN 53 2HD2 ASN 53 -7.774 5.060 9.206 470 H ASP 54 H ASP 54 -8.636 3.119 7.769 471 HA ASP 54 HA ASP 54 -9.643 1.206 9.693 472 1HB ASP 54 2HB ASP 54 -9.062 0.354 6.885 473 2HB ASP 54 1HB ASP 54 -8.645 -0.735 8.207 474 HA PRO 55 HA PRO 55 -5.243 2.655 10.218 475 1HB PRO 55 2HB PRO 55 -5.447 2.266 12.976 476 2HB PRO 55 1HB PRO 55 -5.781 3.799 12.147 477 1HG PRO 55 2HG PRO 55 -7.686 1.675 13.036 478 2HG PRO 55 1HG PRO 55 -7.824 3.438 13.157 479 1HD PRO 55 2HD PRO 55 -9.186 2.162 11.273 480 2HD PRO 55 1HD PRO 55 -8.361 3.687 10.874 481 H GLU 56 H GLU 56 -6.611 0.193 12.422 482 HA GLU 56 HA GLU 56 -4.707 -1.556 12.977 483 1HB GLU 56 2HB GLU 56 -7.228 -2.306 11.469 484 2HB GLU 56 1HB GLU 56 -6.186 -3.478 12.275 485 1HG GLU 56 2HG GLU 56 -6.538 -2.352 14.427 486 2HG GLU 56 1HG GLU 56 -7.528 -1.122 13.641 487 H ARG 57 H ARG 57 -6.141 -1.731 9.705 488 HA ARG 57 HA ARG 57 -4.202 -3.371 8.500 489 1HB ARG 57 2HB ARG 57 -6.194 -1.389 7.581 490 2HB ARG 57 1HB ARG 57 -4.843 -1.626 6.477 491 1HG ARG 57 2HG ARG 57 -6.186 -4.041 7.621 492 2HG ARG 57 1HG ARG 57 -6.979 -3.174 6.308 493 1HD ARG 57 2HD ARG 57 -4.164 -4.284 6.260 494 2HD ARG 57 1HD ARG 57 -5.567 -4.961 5.431 495 HE ARG 57 HE ARG 57 -5.549 -2.460 4.387 496 1HH1 ARG 57 1HH2 ARG 57 -3.059 -4.791 4.956 497 2HH1 ARG 57 2HH2 ARG 57 -2.181 -4.405 3.501 498 1HH2 ARG 57 1HH1 ARG 57 -4.395 -1.938 2.499 499 2HH2 ARG 57 2HH1 ARG 57 -2.948 -2.811 2.113 500 H GLU 58 H GLU 58 -4.240 0.197 8.712 501 HA GLU 58 HA GLU 58 -1.742 0.638 7.416 502 1HB GLU 58 2HB GLU 58 -3.246 2.210 9.528 503 2HB GLU 58 1HB GLU 58 -1.747 2.791 8.803 504 1HG GLU 58 2HG GLU 58 -3.462 3.760 7.475 505 2HG GLU 58 1HG GLU 58 -2.891 2.385 6.529 506 H LYS 59 H LYS 59 -2.549 -0.015 10.824 507 HA LYS 59 HA LYS 59 0.109 0.311 11.861 508 1HB LYS 59 2HB LYS 59 -2.192 -1.425 12.831 509 2HB LYS 59 1HB LYS 59 -0.726 -1.107 13.758 510 1HG LYS 59 2HG LYS 59 -2.337 1.199 12.691 511 2HG LYS 59 1HG LYS 59 -2.855 0.380 14.163 512 1HD LYS 59 2HD LYS 59 -0.009 1.318 13.833 513 2HD LYS 59 1HD LYS 59 -1.266 2.410 14.412 514 1HE LYS 59 2HE LYS 59 -1.825 0.483 16.086 515 2HE LYS 59 1HE LYS 59 -0.202 -0.090 15.706 516 1HZ LYS 59 1HZ LYS 59 0.438 2.359 16.166 517 2HZ LYS 59 2HZ LYS 59 0.180 1.303 17.471 518 3HZ LYS 59 3HZ LYS 59 -1.028 2.408 17.018 519 H TYR 60 H TYR 60 -1.668 -2.493 10.595 520 HA TYR 60 HA TYR 60 0.285 -4.496 11.055 521 1HB TYR 60 2HB TYR 60 -1.949 -5.096 10.331 522 2HB TYR 60 1HB TYR 60 -1.758 -4.185 8.835 523 HD1 TYR 60 1HD TYR 60 -0.796 -7.239 10.665 524 HD2 TYR 60 2HD TYR 60 -0.410 -5.044 6.990 525 HE1 TYR 60 1HE TYR 60 0.126 -9.258 9.556 526 HE2 TYR 60 2HE TYR 60 0.518 -7.062 5.886 527 HH TYR 60 HH TYR 60 1.006 -10.095 7.699 528 H ILE 61 H ILE 61 -0.126 -2.248 8.327 529 HA ILE 61 HA ILE 61 2.022 -3.259 6.720 530 HB ILE 61 HB ILE 61 0.637 -0.585 6.916 531 1HG1 ILE 61 2HG1 ILE 61 -0.303 -2.759 5.785 532 2HG1 ILE 61 1HG1 ILE 61 -0.434 -1.222 4.936 533 1HG2 ILE 61 1HG2 ILE 61 1.958 -0.081 4.757 534 2HG2 ILE 61 2HG2 ILE 61 3.065 -1.344 5.295 535 3HG2 ILE 61 3HG2 ILE 61 2.812 0.089 6.291 536 1HD1 ILE 61 1HD1 ILE 61 1.270 -1.749 3.432 537 2HD1 ILE 61 2HD1 ILE 61 0.504 -3.322 3.661 538 3HD1 ILE 61 3HD1 ILE 61 1.998 -2.933 4.516 539 H TYR 62 H TYR 62 1.893 -0.754 9.253 540 HA TYR 62 HA TYR 62 4.478 0.315 9.022 541 1HB TYR 62 2HB TYR 62 2.584 -0.096 11.318 542 2HB TYR 62 1HB TYR 62 4.238 0.395 11.683 543 HD1 TYR 62 1HD TYR 62 4.054 2.679 12.301 544 HD2 TYR 62 2HD TYR 62 2.123 1.271 8.727 545 HE1 TYR 62 1HE TYR 62 3.510 5.017 11.669 546 HE2 TYR 62 2HE TYR 62 1.578 3.607 8.101 547 HH TYR 62 HH TYR 62 2.849 6.051 8.841 548 H ASP 63 H ASP 63 3.443 -2.571 10.841 549 HA ASP 63 HA ASP 63 6.094 -3.280 11.717 550 1HB ASP 63 2HB ASP 63 3.847 -4.071 12.684 551 2HB ASP 63 1HB ASP 63 3.783 -5.194 11.325 552 H ARG 64 H ARG 64 4.204 -3.931 8.828 553 HA ARG 64 HA ARG 64 5.815 -6.099 7.809 554 1HB ARG 64 2HB ARG 64 3.502 -5.598 6.997 555 2HB ARG 64 1HB ARG 64 4.103 -4.113 6.263 556 1HG ARG 64 2HG ARG 64 4.110 -5.686 4.485 557 2HG ARG 64 1HG ARG 64 5.786 -5.632 5.024 558 1HD ARG 64 2HD ARG 64 4.547 -7.579 6.636 559 2HD ARG 64 1HD ARG 64 3.958 -7.885 5.002 560 HE ARG 64 HE ARG 64 6.806 -7.465 4.953 561 1HH1 ARG 64 1HH2 ARG 64 4.508 -9.585 6.162 562 2HH1 ARG 64 2HH2 ARG 64 5.561 -10.949 6.220 563 1HH2 ARG 64 1HH1 ARG 64 8.276 -9.195 4.953 564 2HH2 ARG 64 2HH1 ARG 64 7.729 -10.738 5.536 565 H ILE 65 H ILE 65 5.796 -2.588 7.157 566 HA ILE 65 HA ILE 65 7.939 -2.612 5.269 567 HB ILE 65 HB ILE 65 7.195 -0.385 7.191 568 1HG1 ILE 65 2HG1 ILE 65 5.203 -1.037 5.979 569 2HG1 ILE 65 1HG1 ILE 65 5.821 0.441 5.244 570 1HG2 ILE 65 1HG2 ILE 65 9.262 0.154 6.171 571 2HG2 ILE 65 2HG2 ILE 65 8.053 0.991 5.199 572 3HG2 ILE 65 3HG2 ILE 65 8.765 -0.514 4.615 573 1HD1 ILE 65 1HD1 ILE 65 5.372 -0.913 3.381 574 2HD1 ILE 65 2HD1 ILE 65 5.932 -2.379 4.187 575 3HD1 ILE 65 3HD1 ILE 65 7.095 -1.171 3.642 576 H ARG 66 H ARG 66 7.931 -2.266 8.821 577 HA ARG 66 HA ARG 66 10.666 -1.616 9.179 578 1HB ARG 66 2HB ARG 66 8.762 -3.204 10.932 579 2HB ARG 66 1HB ARG 66 10.392 -2.776 11.436 580 1HG ARG 66 2HG ARG 66 9.880 -0.400 11.183 581 2HG ARG 66 1HG ARG 66 8.264 -0.786 10.598 582 1HD ARG 66 2HD ARG 66 8.185 -0.221 12.985 583 2HD ARG 66 1HD ARG 66 7.736 -1.898 12.736 584 HE ARG 66 HE ARG 66 10.577 -1.643 13.264 585 1HH1 ARG 66 1HH2 ARG 66 7.568 -1.314 14.759 586 2HH1 ARG 66 2HH2 ARG 66 8.190 -1.541 16.375 587 1HH2 ARG 66 1HH1 ARG 66 11.456 -1.967 15.308 588 2HH2 ARG 66 2HH1 ARG 66 10.402 -1.895 16.686 589 H LYS 67 H LYS 67 9.103 -4.800 8.832 590 HA LYS 67 HA LYS 67 11.448 -6.369 9.343 591 1HB LYS 67 2HB LYS 67 9.127 -7.274 9.357 592 2HB LYS 67 1HB LYS 67 9.055 -7.064 7.608 593 1HG LYS 67 2HG LYS 67 10.918 -8.631 7.313 594 2HG LYS 67 1HG LYS 67 11.080 -8.798 9.062 595 1HD LYS 67 2HD LYS 67 8.784 -9.713 9.189 596 2HD LYS 67 1HD LYS 67 8.627 -9.554 7.439 597 1HE LYS 67 2HE LYS 67 10.469 -11.131 7.098 598 2HE LYS 67 1HE LYS 67 10.721 -11.247 8.840 599 1HZ LYS 67 1HZ LYS 67 9.250 -12.889 8.832 600 2HZ LYS 67 2HZ LYS 67 8.843 -12.615 7.205 601 3HZ LYS 67 3HZ LYS 67 8.045 -11.760 8.438 602 H LEU 68 H LEU 68 9.967 -5.346 6.237 603 HA LEU 68 HA LEU 68 12.072 -6.441 4.605 604 1HB LEU 68 2HB LEU 68 10.128 -4.173 4.070 605 2HB LEU 68 1HB LEU 68 11.181 -4.883 2.850 606 HG LEU 68 HG LEU 68 9.204 -6.521 4.457 607 1HD1 LEU 68 1HD1 LEU 68 7.905 -6.413 2.216 608 2HD1 LEU 68 2HD1 LEU 68 8.887 -4.989 1.875 609 3HD1 LEU 68 3HD1 LEU 68 7.818 -5.006 3.276 610 1HD2 LEU 68 1HD2 LEU 68 9.483 -7.956 2.315 611 2HD2 LEU 68 2HD2 LEU 68 10.822 -7.944 3.463 612 3HD2 LEU 68 3HD2 LEU 68 10.909 -6.964 1.999 613 H CYS 69 H CYS 69 11.642 -3.388 6.300 614 HA CYS 69 HA CYS 69 13.609 -1.827 4.985 615 1HB CYS 69 2HB CYS 69 12.409 -1.827 7.731 616 2HB CYS 69 1HB CYS 69 13.818 -0.811 7.425 617 HG CYS 69 HG CYS 69 12.480 0.507 5.656 618 H LYS 70 H LYS 70 13.963 -3.863 7.904 619 HA LYS 70 HA LYS 70 16.799 -3.494 8.131 620 1HB LYS 70 2HB LYS 70 14.822 -5.485 9.195 621 2HB LYS 70 1HB LYS 70 16.544 -5.826 9.350 622 1HG LYS 70 2HG LYS 70 15.601 -4.632 11.342 623 2HG LYS 70 1HG LYS 70 16.901 -3.741 10.553 624 1HD LYS 70 2HD LYS 70 15.310 -2.305 9.420 625 2HD LYS 70 1HD LYS 70 13.956 -3.267 10.016 626 1HE LYS 70 2HE LYS 70 14.105 -1.343 11.450 627 2HE LYS 70 1HE LYS 70 14.741 -2.707 12.371 628 1HZ LYS 70 1HZ LYS 70 16.778 -1.466 10.825 629 2HZ LYS 70 2HZ LYS 70 16.715 -1.740 12.500 630 3HZ LYS 70 3HZ LYS 70 16.024 -0.335 11.841 631 H GLU 71 H GLU 71 14.798 -5.767 6.323 632 HA GLU 71 HA GLU 71 16.711 -7.739 5.690 633 1HB GLU 71 2HB GLU 71 14.367 -6.649 4.130 634 2HB GLU 71 1HB GLU 71 15.355 -7.978 3.525 635 1HG GLU 71 2HG GLU 71 14.039 -7.997 6.250 636 2HG GLU 71 1HG GLU 71 13.295 -8.687 4.808 637 H HIS 72 H HIS 72 15.764 -5.135 3.408 638 HA HIS 72 HA HIS 72 18.271 -5.523 1.947 639 1HB HIS 72 2HB HIS 72 17.342 -3.575 0.573 640 2HB HIS 72 1HB HIS 72 16.377 -5.049 0.591 641 HD1 HIS 72 1HD HIS 72 16.496 -1.594 2.152 642 HD2 HIS 72 2HD HIS 72 13.824 -4.769 1.715 643 HE1 HIS 72 1HE HIS 72 14.252 -0.767 2.995 644 HE2 HIS 72 2HE HIS 72 12.620 -2.692 2.734 645 H ASN 73 H ASN 73 17.657 -4.001 4.764 646 HA ASN 73 HA ASN 73 18.556 -2.089 5.847 647 1HB ASN 73 2HB ASN 73 20.379 -3.843 5.756 648 2HB ASN 73 1HB ASN 73 21.016 -2.998 4.338 649 1HD2 ASN 73 1HD2 ASN 73 20.323 -2.603 7.832 650 2HD2 ASN 73 2HD2 ASN 73 21.392 -1.298 8.068 651 H VAL 74 H VAL 74 17.311 -1.359 3.348 652 HA VAL 74 HA VAL 74 19.136 0.428 1.936 653 HB VAL 74 HB VAL 74 16.128 0.097 1.891 654 1HG1 VAL 74 1HG1 VAL 74 16.474 2.376 1.309 655 2HG1 VAL 74 2HG1 VAL 74 16.353 1.522 -0.229 656 3HG1 VAL 74 3HG1 VAL 74 17.932 2.002 0.392 657 1HG2 VAL 74 1HG2 VAL 74 16.461 -1.280 0.094 658 2HG2 VAL 74 2HG2 VAL 74 18.041 -1.515 0.842 659 3HG2 VAL 74 3HG2 VAL 74 17.853 -0.363 -0.481 660 H ASP 75 H ASP 75 16.571 0.796 4.380 661 HA ASP 75 HA ASP 75 17.836 3.178 5.447 662 1HB ASP 75 2HB ASP 75 16.060 4.775 4.937 663 2HB ASP 75 1HB ASP 75 16.725 4.130 3.436 664 H GLU 76 H GLU 76 15.647 4.309 6.760 665 HA GLU 76 HA GLU 76 14.327 2.047 8.176 666 1HB GLU 76 2HB GLU 76 16.399 2.621 9.432 667 2HB GLU 76 1HB GLU 76 15.824 4.282 9.581 668 1HG GLU 76 2HG GLU 76 13.849 3.517 10.814 669 2HG GLU 76 1HG GLU 76 14.357 1.839 10.618 670 H ASN 77 H ASN 77 14.433 5.263 9.502 671 HA ASN 77 HA ASN 77 11.605 5.537 9.582 672 1HB ASN 77 2HB ASN 77 12.110 7.972 10.054 673 2HB ASN 77 1HB ASN 77 12.935 6.823 11.105 674 1HD2 ASN 77 1HD2 ASN 77 13.450 9.513 9.092 675 2HD2 ASN 77 2HD2 ASN 77 15.129 9.355 8.894 676 H ILE 78 H ILE 78 13.959 6.808 7.219 677 HA ILE 78 HA ILE 78 12.219 8.491 5.771 678 HB ILE 78 HB ILE 78 14.337 6.713 4.532 679 1HG1 ILE 78 2HG1 ILE 78 15.320 9.322 5.088 680 2HG1 ILE 78 1HG1 ILE 78 14.584 8.726 6.575 681 1HG2 ILE 78 1HG2 ILE 78 13.156 9.410 3.805 682 2HG2 ILE 78 2HG2 ILE 78 12.983 7.904 2.904 683 3HG2 ILE 78 3HG2 ILE 78 14.557 8.694 3.006 684 1HD1 ILE 78 1HD1 ILE 78 15.923 6.696 6.482 685 2HD1 ILE 78 2HD1 ILE 78 16.995 8.091 6.363 686 3HD1 ILE 78 3HD1 ILE 78 16.586 7.166 4.918 687 H GLY 79 H GLY 79 12.705 4.980 5.457 688 1HA GLY 79 2HA GLY 79 11.016 4.630 3.177 689 2HA GLY 79 1HA GLY 79 11.436 3.362 4.329 690 H ILE 80 H ILE 80 10.304 4.322 6.669 691 HA ILE 80 HA ILE 80 7.573 3.552 6.351 692 HB ILE 80 HB ILE 80 8.977 5.008 8.600 693 1HG1 ILE 80 2HG1 ILE 80 8.017 2.140 8.395 694 2HG1 ILE 80 1HG1 ILE 80 9.667 2.640 8.023 695 1HG2 ILE 80 1HG2 ILE 80 6.938 4.143 9.912 696 2HG2 ILE 80 2HG2 ILE 80 6.158 3.955 8.342 697 3HG2 ILE 80 3HG2 ILE 80 6.683 5.551 8.882 698 1HD1 ILE 80 1HD1 ILE 80 8.328 3.238 10.672 699 2HD1 ILE 80 2HD1 ILE 80 10.039 3.394 10.272 700 3HD1 ILE 80 3HD1 ILE 80 9.304 1.796 10.395 701 H LYS 81 H LYS 81 9.049 6.779 6.726 702 HA LYS 81 HA LYS 81 6.657 8.296 6.855 703 1HB LYS 81 2HB LYS 81 9.372 8.954 5.701 704 2HB LYS 81 1HB LYS 81 8.071 10.138 5.823 705 1HG LYS 81 2HG LYS 81 7.966 9.752 8.269 706 2HG LYS 81 1HG LYS 81 9.282 8.586 8.131 707 1HD LYS 81 2HD LYS 81 10.814 10.293 7.384 708 2HD LYS 81 1HD LYS 81 9.514 11.478 7.257 709 1HE LYS 81 2HE LYS 81 10.788 11.833 9.332 710 2HE LYS 81 1HE LYS 81 9.144 11.313 9.705 711 1HZ LYS 81 1HZ LYS 81 10.353 8.960 9.541 712 2HZ LYS 81 2HZ LYS 81 10.236 9.839 10.990 713 3HZ LYS 81 3HZ LYS 81 11.662 9.902 10.069 714 H ILE 82 H ILE 82 8.414 7.056 4.022 715 HA ILE 82 HA ILE 82 6.885 8.469 2.045 716 HB ILE 82 HB ILE 82 8.414 5.862 1.924 717 1HG1 ILE 82 2HG1 ILE 82 9.120 8.608 0.854 718 2HG1 ILE 82 1HG1 ILE 82 9.643 8.025 2.435 719 1HG2 ILE 82 1HG2 ILE 82 8.375 6.400 -0.590 720 2HG2 ILE 82 2HG2 ILE 82 7.051 7.505 -0.220 721 3HG2 ILE 82 3HG2 ILE 82 6.879 5.781 0.104 722 1HD1 ILE 82 1HD1 ILE 82 10.856 6.189 1.429 723 2HD1 ILE 82 2HD1 ILE 82 11.337 7.668 0.599 724 3HD1 ILE 82 3HD1 ILE 82 10.194 6.563 -0.162 725 H PHE 83 H PHE 83 6.481 5.211 3.457 726 HA PHE 83 HA PHE 83 4.314 4.367 1.832 727 1HB PHE 83 2HB PHE 83 5.278 3.684 4.589 728 2HB PHE 83 1HB PHE 83 3.714 3.064 4.058 729 HD1 PHE 83 1HD PHE 83 3.609 1.794 1.831 730 HD2 PHE 83 2HD PHE 83 7.290 2.670 3.867 731 HE1 PHE 83 1HE PHE 83 4.755 0.031 0.515 732 HE2 PHE 83 2HE PHE 83 8.435 0.905 2.552 733 HZ PHE 83 HZ PHE 83 7.168 -0.414 0.877 734 H GLN 84 H GLN 84 4.278 6.145 4.926 735 HA GLN 84 HA GLN 84 1.497 6.293 5.328 736 1HB GLN 84 2HB GLN 84 3.184 7.112 6.944 737 2HB GLN 84 1HB GLN 84 3.576 8.442 5.856 738 1HG GLN 84 2HG GLN 84 1.324 9.341 6.066 739 2HG GLN 84 1HG GLN 84 0.824 7.952 7.033 740 1HE2 GLN 84 1HE2 GLN 84 0.642 10.605 8.094 741 2HE2 GLN 84 2HE2 GLN 84 1.777 10.761 9.353 742 H ARG 85 H ARG 85 3.590 8.315 3.287 743 HA ARG 85 HA ARG 85 1.609 10.197 2.476 744 1HB ARG 85 2HB ARG 85 4.093 9.162 1.075 745 2HB ARG 85 1HB ARG 85 3.105 10.467 0.429 746 1HG ARG 85 2HG ARG 85 3.513 11.810 2.449 747 2HG ARG 85 1HG ARG 85 4.440 10.488 3.165 748 1HD ARG 85 2HD ARG 85 5.981 12.124 2.159 749 2HD ARG 85 1HD ARG 85 6.044 10.626 1.267 750 HE ARG 85 HE ARG 85 4.088 12.304 0.034 751 1HH1 ARG 85 1HH2 ARG 85 7.479 12.114 0.685 752 2HH1 ARG 85 2HH2 ARG 85 7.932 13.183 -0.603 753 1HH2 ARG 85 1HH1 ARG 85 4.696 13.681 -1.725 754 2HH2 ARG 85 2HH1 ARG 85 6.370 14.059 -1.953 755 H LEU 86 H LEU 86 2.521 7.015 1.171 756 HA LEU 86 HA LEU 86 0.810 7.076 -1.130 757 1HB LEU 86 2HB LEU 86 1.641 4.642 0.475 758 2HB LEU 86 1HB LEU 86 1.138 4.671 -1.214 759 HG LEU 86 HG LEU 86 3.596 6.042 -0.088 760 1HD1 LEU 86 1HD1 LEU 86 3.618 3.495 -0.234 761 2HD1 LEU 86 2HD1 LEU 86 4.881 4.325 -1.145 762 3HD1 LEU 86 3HD1 LEU 86 3.465 3.686 -1.980 763 1HD2 LEU 86 1HD2 LEU 86 2.934 7.322 -1.946 764 2HD2 LEU 86 2HD2 LEU 86 2.334 5.912 -2.821 765 3HD2 LEU 86 3HD2 LEU 86 4.071 6.168 -2.645 766 H ILE 87 H ILE 87 0.284 5.974 2.213 767 HA ILE 87 HA ILE 87 -2.344 4.898 1.766 768 HB ILE 87 HB ILE 87 -1.217 6.075 4.324 769 1HG1 ILE 87 2HG1 ILE 87 0.316 4.395 3.414 770 2HG1 ILE 87 1HG1 ILE 87 -0.530 3.729 4.811 771 1HG2 ILE 87 1HG2 ILE 87 -3.413 4.062 3.763 772 2HG2 ILE 87 2HG2 ILE 87 -3.612 5.675 4.447 773 3HG2 ILE 87 3HG2 ILE 87 -2.781 4.424 5.370 774 1HD1 ILE 87 1HD1 ILE 87 -2.248 2.881 3.010 775 2HD1 ILE 87 2HD1 ILE 87 -0.748 1.992 3.269 776 3HD1 ILE 87 3HD1 ILE 87 -0.895 3.091 1.898 777 H GLU 88 H GLU 88 -1.203 8.110 2.800 778 HA GLU 88 HA GLU 88 -3.652 9.334 3.411 779 1HB GLU 88 2HB GLU 88 -1.377 10.387 3.599 780 2HB GLU 88 1HB GLU 88 -1.385 10.611 1.850 781 1HG GLU 88 2HG GLU 88 -2.137 12.680 2.836 782 2HG GLU 88 1HG GLU 88 -3.549 11.898 2.123 783 H HIS 89 H HIS 89 -2.044 9.388 0.210 784 HA HIS 89 HA HIS 89 -4.294 10.495 -1.166 785 1HB HIS 89 2HB HIS 89 -3.022 10.241 -3.092 786 2HB HIS 89 1HB HIS 89 -1.762 10.212 -1.863 787 HD1 HIS 89 1HD HIS 89 -0.199 8.283 -2.034 788 HD2 HIS 89 2HD HIS 89 -3.900 7.407 -3.747 789 HE1 HIS 89 1HE HIS 89 0.021 5.986 -3.083 790 HE2 HIS 89 2HE HIS 89 -2.225 5.444 -4.128 791 H ASN 90 H ASN 90 -3.573 7.292 -0.085 792 HA ASN 90 HA ASN 90 -5.347 5.875 -1.897 793 1HB ASN 90 2HB ASN 90 -3.430 4.893 -0.491 794 2HB ASN 90 1HB ASN 90 -4.528 4.995 0.884 795 1HD2 ASN 90 1HD2 ASN 90 -4.320 3.605 -2.435 796 2HD2 ASN 90 2HD2 ASN 90 -5.317 2.272 -2.098 797 H LYS 91 H LYS 91 -5.623 7.087 1.453 798 HA LYS 91 HA LYS 91 -8.390 6.301 1.775 799 1HB LYS 91 2HB LYS 91 -6.920 6.727 3.715 800 2HB LYS 91 1HB LYS 91 -6.755 8.414 3.227 801 1HG LYS 91 2HG LYS 91 -9.187 8.739 3.508 802 2HG LYS 91 1HG LYS 91 -9.357 7.053 3.993 803 1HD LYS 91 2HD LYS 91 -7.849 7.457 5.916 804 2HD LYS 91 1HD LYS 91 -7.705 9.149 5.440 805 1HE LYS 91 2HE LYS 91 -10.255 7.730 6.268 806 2HE LYS 91 1HE LYS 91 -9.385 8.944 7.206 807 1HZ LYS 91 1HZ LYS 91 -9.731 10.469 5.262 808 2HZ LYS 91 2HZ LYS 91 -11.140 10.054 6.118 809 3HZ LYS 91 3HZ LYS 91 -10.798 9.314 4.626 810 H ALA 92 H ALA 92 -6.834 9.453 1.195 811 HA ALA 92 HA ALA 92 -8.984 11.146 0.973 812 1HB ALA 92 1HB ALA 92 -6.550 11.704 0.546 813 2HB ALA 92 2HB ALA 92 -7.702 12.494 -0.530 814 3HB ALA 92 3HB ALA 92 -6.784 11.099 -1.095 815 H LEU 93 H LEU 93 -7.704 9.420 -1.914 816 HA LEU 93 HA LEU 93 -10.021 10.175 -3.460 817 1HB LEU 93 2HB LEU 93 -8.834 9.431 -5.239 818 2HB LEU 93 1HB LEU 93 -7.501 9.394 -4.096 819 HG LEU 93 HG LEU 93 -7.505 7.303 -5.257 820 1HD1 LEU 93 1HD1 LEU 93 -7.068 6.208 -3.355 821 2HD1 LEU 93 2HD1 LEU 93 -8.794 6.062 -3.020 822 3HD1 LEU 93 3HD1 LEU 93 -7.905 7.478 -2.462 823 1HD2 LEU 93 1HD2 LEU 93 -9.363 6.316 -6.040 824 2HD2 LEU 93 2HD2 LEU 93 -10.261 7.711 -5.440 825 3HD2 LEU 93 3HD2 LEU 93 -10.094 6.270 -4.436 826 H GLN 94 H GLN 94 -9.379 7.532 -1.334 827 HA GLN 94 HA GLN 94 -11.183 5.585 -2.400 828 1HB GLN 94 2HB GLN 94 -9.788 6.094 0.132 829 2HB GLN 94 1HB GLN 94 -11.360 5.325 0.356 830 1HG GLN 94 2HG GLN 94 -10.751 3.572 -1.262 831 2HG GLN 94 1HG GLN 94 -9.174 4.328 -1.503 832 1HE2 GLN 94 1HE2 GLN 94 -7.555 4.007 0.111 833 2HE2 GLN 94 2HE2 GLN 94 -7.781 2.971 1.449 834 H LYS 95 H LYS 95 -11.682 8.059 0.138 835 HA LYS 95 HA LYS 95 -14.501 7.618 0.404 836 1HB LYS 95 2HB LYS 95 -12.764 10.026 1.035 837 2HB LYS 95 1HB LYS 95 -14.473 9.931 1.452 838 1HG LYS 95 2HG LYS 95 -13.985 7.832 2.740 839 2HG LYS 95 1HG LYS 95 -12.268 8.085 2.421 840 1HD LYS 95 2HD LYS 95 -12.279 10.182 3.616 841 2HD LYS 95 1HD LYS 95 -14.036 10.153 3.758 842 1HE LYS 95 2HE LYS 95 -13.891 8.128 5.162 843 2HE LYS 95 1HE LYS 95 -12.133 8.157 5.025 844 1HZ LYS 95 1HZ LYS 95 -13.869 9.739 6.683 845 2HZ LYS 95 2HZ LYS 95 -12.732 10.672 5.833 846 3HZ LYS 95 3HZ LYS 95 -12.212 9.415 6.851 847 H GLN 96 H GLN 96 -12.624 9.941 -1.548 848 HA GLN 96 HA GLN 96 -14.892 11.324 -2.624 849 1HB GLN 96 2HB GLN 96 -12.120 10.920 -3.791 850 2HB GLN 96 1HB GLN 96 -13.301 12.092 -4.375 851 1HG GLN 96 2HG GLN 96 -12.204 12.019 -1.546 852 2HG GLN 96 1HG GLN 96 -11.633 13.103 -2.814 853 1HE2 GLN 96 1HE2 GLN 96 -13.536 14.430 -3.894 854 2HE2 GLN 96 2HE2 GLN 96 -14.709 15.034 -2.827 855 H TYR 97 H TYR 97 -13.126 8.442 -3.661 856 HA TYR 97 HA TYR 97 -14.386 8.108 -6.206 857 1HB TYR 97 2HB TYR 97 -12.410 6.833 -5.721 858 2HB TYR 97 1HB TYR 97 -13.135 6.147 -4.267 859 HD1 TYR 97 1HD TYR 97 -13.423 6.242 -7.989 860 HD2 TYR 97 2HD TYR 97 -14.446 4.177 -4.363 861 HE1 TYR 97 1HE TYR 97 -14.298 4.340 -9.320 862 HE2 TYR 97 2HE TYR 97 -15.322 2.277 -5.695 863 HH TYR 97 HH TYR 97 -15.435 2.414 -9.243 864 H LEU 98 H LEU 98 -15.148 6.613 -3.039 865 HA LEU 98 HA LEU 98 -17.477 5.220 -3.933 866 1HB LEU 98 2HB LEU 98 -16.674 6.249 -1.201 867 2HB LEU 98 1HB LEU 98 -18.118 5.276 -1.470 868 HG LEU 98 HG LEU 98 -15.304 4.409 -2.207 869 1HD1 LEU 98 1HD1 LEU 98 -15.302 4.370 0.139 870 2HD1 LEU 98 2HD1 LEU 98 -15.872 2.748 -0.257 871 3HD1 LEU 98 3HD1 LEU 98 -17.022 3.993 0.228 872 1HD2 LEU 98 1HD2 LEU 98 -16.670 2.136 -2.121 873 2HD2 LEU 98 2HD2 LEU 98 -16.695 3.131 -3.577 874 3HD2 LEU 98 3HD2 LEU 98 -18.041 3.197 -2.439 875 H GLU 99 H GLU 99 -17.040 8.489 -2.610 876 HA GLU 99 HA GLU 99 -19.832 9.148 -2.421 877 1HB GLU 99 2HB GLU 99 -17.273 10.706 -2.506 878 2HB GLU 99 1HB GLU 99 -18.798 11.565 -2.726 879 1HG GLU 99 2HG GLU 99 -18.180 11.542 -0.347 880 2HG GLU 99 1HG GLU 99 -19.640 10.585 -0.609 881 H GLU 100 H GLU 100 -17.451 9.498 -5.027 882 HA GLU 100 HA GLU 100 -19.171 11.017 -6.761 883 1HB GLU 100 2HB GLU 100 -17.410 11.005 -8.204 884 2HB GLU 100 1HB GLU 100 -16.538 10.434 -6.783 885 1HG GLU 100 2HG GLU 100 -15.935 8.874 -8.430 886 2HG GLU 100 1HG GLU 100 -17.249 8.056 -7.585 887 H THR 101 H THR 101 -18.917 7.606 -6.080 888 HA THR 101 HA THR 101 -20.366 6.799 -8.498 889 HB THR 101 HB THR 101 -20.540 4.595 -7.180 890 HG1 THR 101 1HG THR 101 -19.762 4.591 -5.235 891 1HG2 THR 101 1HG2 THR 101 -18.198 4.047 -7.630 892 2HG2 THR 101 2HG2 THR 101 -17.791 5.762 -7.698 893 3HG2 THR 101 3HG2 THR 101 -18.839 5.053 -8.928 894 H LEU 102 H LEU 102 -21.120 7.629 -5.166 895 HA LEU 102 HA LEU 102 -23.822 6.603 -5.173 896 1HB LEU 102 2HB LEU 102 -22.500 8.768 -3.503 897 2HB LEU 102 1HB LEU 102 -24.127 8.155 -3.210 898 HG LEU 102 HG LEU 102 -21.649 6.409 -3.275 899 1HD1 LEU 102 1HD1 LEU 102 -21.631 8.031 -1.379 900 2HD1 LEU 102 2HD1 LEU 102 -21.817 6.364 -0.834 901 3HD1 LEU 102 3HD1 LEU 102 -23.216 7.436 -0.889 902 1HD2 LEU 102 1HD2 LEU 102 -24.577 5.980 -2.779 903 2HD2 LEU 102 2HD2 LEU 102 -23.415 4.974 -1.915 904 3HD2 LEU 102 3HD2 LEU 102 -23.441 4.976 -3.677 905 H GLU 103 H GLU 103 -22.325 9.579 -6.268 906 HA GLU 103 HA GLU 103 -24.647 11.234 -6.463 907 1HB GLU 103 2HB GLU 103 -22.110 11.131 -8.123 908 2HB GLU 103 1HB GLU 103 -23.315 12.409 -8.260 909 1HG GLU 103 2HG GLU 103 -22.976 13.035 -5.928 910 2HG GLU 103 1HG GLU 103 -21.855 11.689 -5.701 911 H HIS 104 H HIS 104 -23.058 9.167 -8.872 912 HA HIS 104 HA HIS 104 -25.063 9.558 -10.926 913 1HB HIS 104 2HB HIS 104 -22.957 7.388 -10.535 914 2HB HIS 104 1HB HIS 104 -23.958 7.536 -11.979 915 HD1 HIS 104 1HD HIS 104 -21.194 9.299 -10.093 916 HD2 HIS 104 2HD HIS 104 -23.197 9.626 -13.740 917 HE1 HIS 104 1HE HIS 104 -19.963 11.065 -11.433 918 HE2 HIS 104 2HE HIS 104 -21.174 11.273 -13.652 919 H2 TSA 501 1H2 TSA 501 -4.416 -0.759 3.872 920 H3 TSA 501 1H3 TSA 501 -6.316 -0.818 5.471 921 H4 TSA 501 4H TSA 501 -8.295 0.598 5.065 922 HO5 TSA 501 HO5 TSA 501 -7.119 1.560 6.567 923 H5 TSA 501 5H TSA 501 -7.962 2.741 3.637 924 1H6 TSA 501 1H6 TSA 501 -6.156 2.617 1.900 925 2H6 TSA 501 2H6 TSA 501 -5.414 2.548 3.434 926 H8 TSA 501 8H TSA 501 -8.495 -0.062 0.812 927 1H9 TSA 501 1H9 TSA 501 -6.072 -0.975 1.098 928 2H9 TSA 501 2H9 TSA 501 -6.272 0.514 0.385 Start of MODEL 2 1 1H MET 1 1HT MET 1 -10.965 -18.184 4.042 2 2H MET 1 2HT MET 1 -10.173 -19.341 5.000 3 3H MET 1 3HT MET 1 -9.826 -19.227 3.341 4 HA MET 1 HA MET 1 -9.283 -17.081 5.319 5 1HB MET 1 2HB MET 1 -7.486 -19.189 4.076 6 2HB MET 1 1HB MET 1 -6.881 -17.758 4.911 7 1HG MET 1 2HG MET 1 -8.084 -18.446 6.962 8 2HG MET 1 1HG MET 1 -8.678 -19.883 6.131 9 1HE MET 1 1HE MET 1 -7.763 -20.439 8.494 10 2HE MET 1 2HE MET 1 -6.178 -21.175 8.721 11 3HE MET 1 3HE MET 1 -7.355 -21.945 7.660 12 H ILE 2 H ILE 2 -9.889 -18.014 2.125 13 HA ILE 2 HA ILE 2 -8.252 -15.814 0.974 14 HB ILE 2 HB ILE 2 -9.939 -17.958 -0.360 15 1HG1 ILE 2 2HG1 ILE 2 -6.922 -17.658 -0.259 16 2HG1 ILE 2 1HG1 ILE 2 -7.831 -18.693 0.841 17 1HG2 ILE 2 1HG2 ILE 2 -8.163 -15.767 -1.455 18 2HG2 ILE 2 2HG2 ILE 2 -9.863 -16.062 -1.821 19 3HG2 ILE 2 3HG2 ILE 2 -8.629 -17.179 -2.405 20 1HD1 ILE 2 1HD1 ILE 2 -8.774 -19.899 -1.130 21 2HD1 ILE 2 2HD1 ILE 2 -7.018 -20.028 -1.035 22 3HD1 ILE 2 3HD1 ILE 2 -7.759 -18.913 -2.182 23 H GLU 3 H GLU 3 -9.209 -13.855 0.742 24 HA GLU 3 HA GLU 3 -12.144 -13.753 0.191 25 1HB GLU 3 2HB GLU 3 -10.665 -11.911 2.095 26 2HB GLU 3 1HB GLU 3 -12.392 -11.884 1.736 27 1HG GLU 3 2HG GLU 3 -10.929 -14.230 2.980 28 2HG GLU 3 1HG GLU 3 -11.886 -13.054 3.880 29 H LYS 4 H LYS 4 -12.794 -11.770 -0.919 30 HA LYS 4 HA LYS 4 -11.072 -10.977 -3.027 31 1HB LYS 4 2HB LYS 4 -13.490 -9.581 -1.831 32 2HB LYS 4 1HB LYS 4 -12.717 -9.094 -3.341 33 1HG LYS 4 2HG LYS 4 -13.097 -11.420 -4.214 34 2HG LYS 4 1HG LYS 4 -14.020 -11.771 -2.752 35 1HD LYS 4 2HD LYS 4 -14.685 -9.425 -4.543 36 2HD LYS 4 1HD LYS 4 -15.373 -11.026 -4.804 37 1HE LYS 4 2HE LYS 4 -16.135 -10.968 -2.376 38 2HE LYS 4 1HE LYS 4 -15.681 -9.264 -2.363 39 1HZ LYS 4 1HZ LYS 4 -17.885 -9.175 -2.961 40 2HZ LYS 4 2HZ LYS 4 -17.818 -10.604 -3.877 41 3HZ LYS 4 3HZ LYS 4 -17.135 -9.171 -4.482 42 H LEU 5 H LEU 5 -11.834 -9.301 0.029 43 HA LEU 5 HA LEU 5 -10.042 -7.079 -0.423 44 1HB LEU 5 2HB LEU 5 -11.954 -7.072 1.189 45 2HB LEU 5 1HB LEU 5 -11.075 -8.223 2.190 46 HG LEU 5 HG LEU 5 -9.555 -5.788 1.460 47 1HD1 LEU 5 1HD1 LEU 5 -10.731 -4.428 3.177 48 2HD1 LEU 5 2HD1 LEU 5 -11.937 -5.703 3.342 49 3HD1 LEU 5 3HD1 LEU 5 -11.790 -4.819 1.823 50 1HD2 LEU 5 1HD2 LEU 5 -10.115 -7.215 4.085 51 2HD2 LEU 5 2HD2 LEU 5 -8.885 -5.978 3.821 52 3HD2 LEU 5 3HD2 LEU 5 -8.744 -7.546 3.028 53 H ALA 6 H ALA 6 -9.652 -10.317 0.809 54 HA ALA 6 HA ALA 6 -7.128 -9.880 2.155 55 1HB ALA 6 1HB ALA 6 -6.975 -12.438 1.874 56 2HB ALA 6 2HB ALA 6 -8.584 -12.327 1.158 57 3HB ALA 6 3HB ALA 6 -8.321 -11.809 2.824 58 H GLU 7 H GLU 7 -7.802 -11.667 -0.893 59 HA GLU 7 HA GLU 7 -5.114 -11.907 -1.709 60 1HB GLU 7 2HB GLU 7 -7.607 -11.612 -3.406 61 2HB GLU 7 1HB GLU 7 -6.036 -12.123 -4.023 62 1HG GLU 7 2HG GLU 7 -7.525 -13.538 -1.793 63 2HG GLU 7 1HG GLU 7 -7.561 -14.040 -3.484 64 H ILE 8 H ILE 8 -7.371 -9.210 -2.151 65 HA ILE 8 HA ILE 8 -5.766 -7.698 -3.978 66 HB ILE 8 HB ILE 8 -7.838 -6.873 -1.939 67 1HG1 ILE 8 2HG1 ILE 8 -7.960 -6.883 -4.965 68 2HG1 ILE 8 1HG1 ILE 8 -8.477 -8.252 -3.982 69 1HG2 ILE 8 1HG2 ILE 8 -6.834 -4.828 -2.147 70 2HG2 ILE 8 2HG2 ILE 8 -7.734 -4.790 -3.665 71 3HG2 ILE 8 3HG2 ILE 8 -6.034 -5.261 -3.658 72 1HD1 ILE 8 1HD1 ILE 8 -10.445 -6.944 -4.415 73 2HD1 ILE 8 2HD1 ILE 8 -9.620 -5.448 -3.979 74 3HD1 ILE 8 3HD1 ILE 8 -9.999 -6.640 -2.736 75 H ARG 9 H ARG 9 -5.982 -7.601 -0.409 76 HA ARG 9 HA ARG 9 -4.006 -5.544 -0.080 77 1HB ARG 9 2HB ARG 9 -5.437 -7.475 1.656 78 2HB ARG 9 1HB ARG 9 -3.843 -6.999 2.245 79 1HG ARG 9 2HG ARG 9 -5.218 -5.327 3.146 80 2HG ARG 9 1HG ARG 9 -4.637 -4.560 1.669 81 1HD ARG 9 2HD ARG 9 -6.720 -5.410 0.514 82 2HD ARG 9 1HD ARG 9 -7.297 -5.937 2.093 83 HE ARG 9 HE ARG 9 -7.384 -3.231 1.119 84 1HH1 ARG 9 1HH2 ARG 9 -6.771 -5.180 3.896 85 2HH1 ARG 9 2HH2 ARG 9 -6.989 -3.881 5.025 86 1HH2 ARG 9 1HH1 ARG 9 -7.828 -1.557 2.593 87 2HH2 ARG 9 2HH1 ARG 9 -7.552 -1.820 4.283 88 H LYS 10 H LYS 10 -3.783 -8.992 -0.647 89 HA LYS 10 HA LYS 10 -1.033 -9.329 0.157 90 1HB LYS 10 2HB LYS 10 -2.816 -11.148 -0.383 91 2HB LYS 10 1HB LYS 10 -2.365 -10.892 -2.068 92 1HG LYS 10 2HG LYS 10 -0.879 -12.586 -1.494 93 2HG LYS 10 1HG LYS 10 0.095 -11.166 -1.109 94 1HD LYS 10 2HD LYS 10 0.315 -12.397 0.857 95 2HD LYS 10 1HD LYS 10 -1.068 -11.376 1.250 96 1HE LYS 10 2HE LYS 10 -1.889 -13.471 1.849 97 2HE LYS 10 1HE LYS 10 -2.448 -13.361 0.180 98 1HZ LYS 10 1HZ LYS 10 -1.031 -15.403 1.130 99 2HZ LYS 10 2HZ LYS 10 0.228 -14.421 0.551 100 3HZ LYS 10 3HZ LYS 10 -1.008 -14.929 -0.499 101 H LYS 11 H LYS 11 -2.646 -8.239 -2.795 102 HA LYS 11 HA LYS 11 -0.379 -8.221 -4.531 103 1HB LYS 11 2HB LYS 11 -2.724 -6.282 -4.467 104 2HB LYS 11 1HB LYS 11 -1.618 -6.507 -5.821 105 1HG LYS 11 2HG LYS 11 -2.329 -9.010 -5.690 106 2HG LYS 11 1HG LYS 11 -3.697 -8.408 -4.752 107 1HD LYS 11 2HD LYS 11 -4.583 -8.299 -6.897 108 2HD LYS 11 1HD LYS 11 -3.893 -6.682 -6.756 109 1HE LYS 11 2HE LYS 11 -3.020 -7.359 -8.806 110 2HE LYS 11 1HE LYS 11 -1.729 -7.849 -7.710 111 1HZ LYS 11 1HZ LYS 11 -2.240 -9.655 -9.175 112 2HZ LYS 11 2HZ LYS 11 -3.892 -9.574 -8.786 113 3HZ LYS 11 3HZ LYS 11 -2.765 -10.069 -7.616 114 H ILE 12 H ILE 12 -1.651 -5.796 -2.256 115 HA ILE 12 HA ILE 12 0.222 -3.727 -2.740 116 HB ILE 12 HB ILE 12 -1.333 -4.602 -0.312 117 1HG1 ILE 12 2HG1 ILE 12 -2.397 -2.396 -0.632 118 2HG1 ILE 12 1HG1 ILE 12 -1.299 -2.054 -1.969 119 1HG2 ILE 12 1HG2 ILE 12 -0.454 -2.381 0.696 120 2HG2 ILE 12 2HG2 ILE 12 0.873 -2.551 -0.453 121 3HG2 ILE 12 3HG2 ILE 12 0.600 -3.792 0.769 122 1HD1 ILE 12 1HD1 ILE 12 -2.258 -3.733 -3.333 123 2HD1 ILE 12 2HD1 ILE 12 -3.643 -2.956 -2.565 124 3HD1 ILE 12 3HD1 ILE 12 -3.057 -4.507 -1.963 125 H ASP 13 H ASP 13 0.441 -6.659 -0.785 126 HA ASP 13 HA ASP 13 2.879 -6.193 0.556 127 1HB ASP 13 2HB ASP 13 1.289 -8.207 0.752 128 2HB ASP 13 1HB ASP 13 2.115 -8.860 -0.661 129 H GLU 14 H GLU 14 2.294 -7.449 -2.728 130 HA GLU 14 HA GLU 14 5.074 -7.789 -3.394 131 1HB GLU 14 2HB GLU 14 2.620 -7.356 -5.120 132 2HB GLU 14 1HB GLU 14 4.215 -7.718 -5.772 133 1HG GLU 14 2HG GLU 14 4.268 -9.836 -4.533 134 2HG GLU 14 1HG GLU 14 2.701 -9.468 -3.810 135 H ILE 15 H ILE 15 2.795 -5.097 -3.639 136 HA ILE 15 HA ILE 15 4.588 -3.353 -5.109 137 HB ILE 15 HB ILE 15 2.328 -2.477 -3.291 138 1HG1 ILE 15 2HG1 ILE 15 1.335 -4.160 -4.672 139 2HG1 ILE 15 1HG1 ILE 15 0.947 -2.620 -5.442 140 1HG2 ILE 15 1HG2 ILE 15 3.856 -0.755 -4.266 141 2HG2 ILE 15 2HG2 ILE 15 2.194 -0.601 -4.838 142 3HG2 ILE 15 3HG2 ILE 15 3.421 -1.331 -5.875 143 1HD1 ILE 15 1HD1 ILE 15 3.037 -4.644 -6.261 144 2HD1 ILE 15 2HD1 ILE 15 3.093 -2.976 -6.830 145 3HD1 ILE 15 3HD1 ILE 15 1.709 -3.996 -7.222 146 H ASP 16 H ASP 16 3.773 -3.773 -1.675 147 HA ASP 16 HA ASP 16 5.293 -1.614 -0.635 148 1HB ASP 16 2HB ASP 16 4.520 -4.305 0.522 149 2HB ASP 16 1HB ASP 16 5.365 -3.082 1.467 150 H ASN 17 H ASN 17 6.236 -5.034 -1.097 151 HA ASN 17 HA ASN 17 8.969 -4.664 -0.317 152 1HB ASN 17 2HB ASN 17 7.915 -6.893 -0.457 153 2HB ASN 17 1HB ASN 17 7.757 -6.702 -2.201 154 1HD2 ASN 17 1HD2 ASN 17 10.631 -5.331 -0.805 155 2HD2 ASN 17 2HD2 ASN 17 11.709 -6.549 -1.313 156 H LYS 18 H LYS 18 7.281 -4.364 -3.405 157 HA LYS 18 HA LYS 18 9.545 -4.204 -5.123 158 1HB LYS 18 2HB LYS 18 7.149 -4.436 -5.843 159 2HB LYS 18 1HB LYS 18 6.909 -2.739 -5.438 160 1HG LYS 18 2HG LYS 18 8.663 -2.104 -7.066 161 2HG LYS 18 1HG LYS 18 8.883 -3.804 -7.483 162 1HD LYS 18 2HD LYS 18 6.178 -2.467 -7.672 163 2HD LYS 18 1HD LYS 18 7.327 -2.420 -9.008 164 1HE LYS 18 2HE LYS 18 7.448 -4.969 -8.809 165 2HE LYS 18 1HE LYS 18 6.040 -4.853 -7.752 166 1HZ LYS 18 1HZ LYS 18 5.475 -5.245 -10.109 167 2HZ LYS 18 2HZ LYS 18 6.165 -3.743 -10.504 168 3HZ LYS 18 3HZ LYS 18 4.800 -3.815 -9.495 169 H ILE 19 H ILE 19 7.824 -1.621 -3.341 170 HA ILE 19 HA ILE 19 9.536 0.477 -4.393 171 HB ILE 19 HB ILE 19 7.298 1.007 -3.597 172 1HG1 ILE 19 2HG1 ILE 19 9.535 2.472 -3.106 173 2HG1 ILE 19 1HG1 ILE 19 7.905 3.034 -2.736 174 1HG2 ILE 19 1HG2 ILE 19 6.903 0.927 -1.082 175 2HG2 ILE 19 2HG2 ILE 19 8.345 -0.083 -0.978 176 3HG2 ILE 19 3HG2 ILE 19 6.943 -0.637 -1.896 177 1HD1 ILE 19 1HD1 ILE 19 9.630 3.204 -0.845 178 2HD1 ILE 19 2HD1 ILE 19 9.533 1.445 -0.747 179 3HD1 ILE 19 3HD1 ILE 19 8.099 2.426 -0.446 180 H LEU 20 H LEU 20 9.756 -1.756 -1.716 181 HA LEU 20 HA LEU 20 11.815 -0.227 -0.304 182 1HB LEU 20 2HB LEU 20 10.832 -3.085 -0.063 183 2HB LEU 20 1HB LEU 20 12.119 -2.426 0.942 184 HG LEU 20 HG LEU 20 9.333 -1.239 0.747 185 1HD1 LEU 20 1HD1 LEU 20 10.523 -2.820 3.037 186 2HD1 LEU 20 2HD1 LEU 20 9.518 -3.562 1.792 187 3HD1 LEU 20 3HD1 LEU 20 8.847 -2.307 2.835 188 1HD2 LEU 20 1HD2 LEU 20 10.616 0.516 1.539 189 2HD2 LEU 20 2HD2 LEU 20 11.854 -0.549 2.204 190 3HD2 LEU 20 3HD2 LEU 20 10.328 -0.324 3.062 191 H LYS 21 H LYS 21 11.725 -2.188 -3.087 192 HA LYS 21 HA LYS 21 14.172 -3.592 -3.007 193 1HB LYS 21 2HB LYS 21 14.046 -3.708 -5.374 194 2HB LYS 21 1HB LYS 21 12.367 -3.600 -4.849 195 1HG LYS 21 2HG LYS 21 12.517 -1.095 -5.197 196 2HG LYS 21 1HG LYS 21 14.095 -1.361 -5.938 197 1HD LYS 21 2HD LYS 21 13.071 -2.835 -7.622 198 2HD LYS 21 1HD LYS 21 11.489 -2.597 -6.879 199 1HE LYS 21 2HE LYS 21 13.192 -0.342 -7.978 200 2HE LYS 21 1HE LYS 21 11.901 -1.130 -8.884 201 1HZ LYS 21 1HZ LYS 21 10.667 -0.557 -6.584 202 2HZ LYS 21 2HZ LYS 21 10.644 0.451 -7.951 203 3HZ LYS 21 3HZ LYS 21 11.742 0.750 -6.690 204 H ALA 22 H ALA 22 15.880 -2.668 -4.943 205 HA ALA 22 HA ALA 22 17.422 -0.719 -3.555 206 1HB ALA 22 1HB ALA 22 18.228 -2.398 -5.303 207 2HB ALA 22 2HB ALA 22 18.904 -0.773 -5.433 208 3HB ALA 22 3HB ALA 22 17.611 -1.281 -6.520 209 H ARG 23 H ARG 23 16.059 1.103 -3.138 210 HA ARG 23 HA ARG 23 14.737 2.553 -5.266 211 1HB ARG 23 2HB ARG 23 15.496 3.315 -2.428 212 2HB ARG 23 1HB ARG 23 14.608 4.389 -3.508 213 1HG ARG 23 2HG ARG 23 12.834 2.676 -3.756 214 2HG ARG 23 1HG ARG 23 13.726 1.604 -2.675 215 1HD ARG 23 2HD ARG 23 12.774 4.373 -1.863 216 2HD ARG 23 1HD ARG 23 11.850 2.901 -1.545 217 HE ARG 23 HE ARG 23 14.367 2.367 -0.486 218 1HH1 ARG 23 1HH2 ARG 23 11.992 4.845 -0.148 219 2HH1 ARG 23 2HH2 ARG 23 12.388 5.180 1.505 220 1HH2 ARG 23 1HH1 ARG 23 14.903 2.811 1.683 221 2HH2 ARG 23 2HH1 ARG 23 14.023 4.036 2.539 222 H TRP 24 H TRP 24 17.929 2.736 -3.765 223 HA TRP 24 HA TRP 24 19.043 5.100 -4.327 224 1HB TRP 24 2HB TRP 24 20.010 2.353 -4.752 225 2HB TRP 24 1HB TRP 24 20.847 3.559 -5.726 226 HD1 TRP 24 HD TRP 24 21.347 5.934 -4.038 227 HE1 TRP 24 1HE TRP 24 22.585 5.876 -1.775 228 HE3 TRP 24 3HE TRP 24 20.779 1.004 -2.848 229 HZ2 TRP 24 2HZ TRP 24 23.243 3.983 0.272 230 HZ3 TRP 24 3HZ TRP 24 21.716 0.098 -0.742 231 HH2 TRP 24 HH TRP 24 22.947 1.580 0.819 232 HA PRO 25 HA PRO 25 19.243 4.577 -9.135 233 1HB PRO 25 2HB PRO 25 17.829 2.483 -10.207 234 2HB PRO 25 1HB PRO 25 19.542 2.375 -9.750 235 1HG PRO 25 2HG PRO 25 17.122 1.539 -8.199 236 2HG PRO 25 1HG PRO 25 18.628 0.647 -8.491 237 1HD PRO 25 2HD PRO 25 18.253 1.905 -6.158 238 2HD PRO 25 1HD PRO 25 19.848 1.939 -6.945 239 H TRP 26 H TRP 26 17.190 4.120 -10.962 240 HA TRP 26 HA TRP 26 15.157 6.014 -9.999 241 1HB TRP 26 2HB TRP 26 15.593 4.674 -12.683 242 2HB TRP 26 1HB TRP 26 14.301 5.830 -12.358 243 HD1 TRP 26 HD TRP 26 17.944 5.608 -13.174 244 HE1 TRP 26 1HE TRP 26 18.968 7.972 -13.258 245 HE3 TRP 26 3HE TRP 26 14.093 8.301 -11.182 246 HZ2 TRP 26 2HZ TRP 26 18.244 10.655 -12.567 247 HZ3 TRP 26 3HZ TRP 26 14.284 10.754 -10.906 248 HH2 TRP 26 HH TRP 26 16.352 11.935 -11.595 249 H ALA 27 H ALA 27 12.939 5.516 -9.760 250 HA ALA 27 HA ALA 27 11.859 2.918 -10.450 251 1HB ALA 27 1HB ALA 27 11.415 2.258 -8.033 252 2HB ALA 27 2HB ALA 27 12.592 3.487 -7.567 253 3HB ALA 27 3HB ALA 27 13.094 2.116 -8.554 254 H GLU 28 H GLU 28 10.494 3.743 -7.547 255 HA GLU 28 HA GLU 28 8.424 4.719 -7.018 256 1HB GLU 28 2HB GLU 28 9.522 6.792 -8.943 257 2HB GLU 28 1HB GLU 28 8.125 7.043 -7.896 258 1HG GLU 28 2HG GLU 28 10.888 6.295 -6.898 259 2HG GLU 28 1HG GLU 28 10.257 7.941 -6.928 260 H LYS 29 H LYS 29 6.746 6.300 -8.734 261 HA LYS 29 HA LYS 29 5.080 6.013 -10.359 262 1HB LYS 29 2HB LYS 29 6.995 4.072 -11.682 263 2HB LYS 29 1HB LYS 29 5.708 5.005 -12.446 264 1HG LYS 29 2HG LYS 29 8.108 6.252 -11.078 265 2HG LYS 29 1HG LYS 29 8.006 5.964 -12.815 266 1HD LYS 29 2HD LYS 29 5.897 7.337 -12.849 267 2HD LYS 29 1HD LYS 29 6.186 7.731 -11.155 268 1HE LYS 29 2HE LYS 29 8.339 8.750 -11.730 269 2HE LYS 29 1HE LYS 29 8.115 8.312 -13.422 270 1HZ LYS 29 1HZ LYS 29 7.476 10.579 -13.104 271 2HZ LYS 29 2HZ LYS 29 6.434 10.167 -11.828 272 3HZ LYS 29 3HZ LYS 29 6.077 9.671 -13.414 273 H LEU 30 H LEU 30 5.601 4.035 -8.031 274 HA LEU 30 HA LEU 30 4.144 1.687 -9.132 275 1HB LEU 30 2HB LEU 30 5.370 2.027 -6.376 276 2HB LEU 30 1HB LEU 30 4.751 0.532 -7.075 277 HG LEU 30 HG LEU 30 7.089 2.133 -8.169 278 1HD1 LEU 30 1HD1 LEU 30 7.627 1.015 -6.041 279 2HD1 LEU 30 2HD1 LEU 30 8.434 0.203 -7.383 280 3HD1 LEU 30 3HD1 LEU 30 6.985 -0.504 -6.668 281 1HD2 LEU 30 1HD2 LEU 30 7.360 -0.137 -9.431 282 2HD2 LEU 30 2HD2 LEU 30 6.141 0.999 -10.011 283 3HD2 LEU 30 3HD2 LEU 30 5.661 -0.384 -9.026 284 H ILE 31 H ILE 31 3.460 4.616 -7.727 285 HA ILE 31 HA ILE 31 1.467 3.922 -5.779 286 HB ILE 31 HB ILE 31 1.772 6.389 -7.523 287 1HG1 ILE 31 2HG1 ILE 31 2.361 5.999 -4.575 288 2HG1 ILE 31 1HG1 ILE 31 3.583 5.810 -5.832 289 1HG2 ILE 31 1HG2 ILE 31 -0.517 6.344 -6.848 290 2HG2 ILE 31 2HG2 ILE 31 0.291 7.405 -5.694 291 3HG2 ILE 31 3HG2 ILE 31 -0.107 5.747 -5.240 292 1HD1 ILE 31 1HD1 ILE 31 3.272 8.112 -6.553 293 2HD1 ILE 31 2HD1 ILE 31 3.576 8.100 -4.816 294 3HD1 ILE 31 3HD1 ILE 31 1.935 8.321 -5.423 295 H ALA 32 H ALA 32 1.284 4.549 -9.279 296 HA ALA 32 HA ALA 32 -1.420 4.631 -9.767 297 1HB ALA 32 1HB ALA 32 0.725 3.090 -11.242 298 2HB ALA 32 2HB ALA 32 0.078 4.685 -11.629 299 3HB ALA 32 3HB ALA 32 -0.921 3.248 -11.856 300 H GLU 33 H GLU 33 0.354 1.510 -9.712 301 HA GLU 33 HA GLU 33 -1.923 -0.155 -9.710 302 1HB GLU 33 2HB GLU 33 0.784 -0.598 -8.408 303 2HB GLU 33 1HB GLU 33 -0.420 -1.864 -8.657 304 1HG GLU 33 2HG GLU 33 0.963 -2.088 -10.539 305 2HG GLU 33 1HG GLU 33 -0.360 -1.095 -11.150 306 H ARG 34 H ARG 34 -0.135 1.199 -6.924 307 HA ARG 34 HA ARG 34 -1.664 -0.028 -4.872 308 1HB ARG 34 2HB ARG 34 0.472 1.399 -4.647 309 2HB ARG 34 1HB ARG 34 -0.589 2.798 -4.715 310 1HG ARG 34 2HG ARG 34 -1.016 0.564 -2.715 311 2HG ARG 34 1HG ARG 34 0.014 1.957 -2.377 312 1HD ARG 34 2HD ARG 34 -2.214 3.143 -3.363 313 2HD ARG 34 1HD ARG 34 -2.914 1.771 -2.556 314 HE ARG 34 HE ARG 34 -1.983 4.142 -1.230 315 1HH1 ARG 34 1HH2 ARG 34 -1.766 0.720 -1.182 316 2HH1 ARG 34 2HH2 ARG 34 -1.241 0.640 0.465 317 1HH2 ARG 34 1HH1 ARG 34 -1.210 4.082 0.924 318 2HH2 ARG 34 2HH1 ARG 34 -0.937 2.529 1.654 319 H ASN 35 H ASN 35 -2.190 3.040 -6.604 320 HA ASN 35 HA ASN 35 -4.487 3.873 -5.174 321 1HB ASN 35 2HB ASN 35 -3.398 5.381 -6.758 322 2HB ASN 35 1HB ASN 35 -3.755 4.276 -8.092 323 1HD2 ASN 35 1HD2 ASN 35 -4.736 7.156 -7.151 324 2HD2 ASN 35 2HD2 ASN 35 -6.416 7.064 -7.421 325 H SER 36 H SER 36 -4.163 1.675 -7.954 326 HA SER 36 HA SER 36 -6.847 1.281 -8.643 327 1HB SER 36 2HB SER 36 -4.788 -0.923 -8.357 328 2HB SER 36 1HB SER 36 -6.197 -0.929 -9.413 329 HG SER 36 HG SER 36 -5.007 0.064 -10.817 330 H LEU 37 H LEU 37 -5.307 -1.289 -6.751 331 HA LEU 37 HA LEU 37 -7.438 -2.469 -5.562 332 1HB LEU 37 2HB LEU 37 -5.075 -1.596 -3.883 333 2HB LEU 37 1HB LEU 37 -6.100 -3.001 -3.623 334 HG LEU 37 HG LEU 37 -4.191 -3.925 -4.608 335 1HD1 LEU 37 1HD1 LEU 37 -4.832 -4.695 -6.784 336 2HD1 LEU 37 2HD1 LEU 37 -5.852 -3.280 -7.052 337 3HD1 LEU 37 3HD1 LEU 37 -6.316 -4.489 -5.852 338 1HD2 LEU 37 1HD2 LEU 37 -2.680 -2.553 -5.541 339 2HD2 LEU 37 2HD2 LEU 37 -3.890 -1.277 -5.689 340 3HD2 LEU 37 3HD2 LEU 37 -3.695 -2.463 -6.979 341 H ALA 38 H ALA 38 -6.166 0.708 -4.688 342 HA ALA 38 HA ALA 38 -7.484 1.183 -2.262 343 1HB ALA 38 1HB ALA 38 -7.437 3.407 -4.245 344 2HB ALA 38 2HB ALA 38 -5.893 2.679 -3.798 345 3HB ALA 38 3HB ALA 38 -6.924 3.392 -2.559 346 H LYS 39 H LYS 39 -8.742 1.917 -5.532 347 HA LYS 39 HA LYS 39 -11.325 2.755 -4.488 348 1HB LYS 39 2HB LYS 39 -11.972 2.858 -6.873 349 2HB LYS 39 1HB LYS 39 -10.421 3.651 -6.597 350 1HG LYS 39 2HG LYS 39 -9.684 2.354 -8.305 351 2HG LYS 39 1HG LYS 39 -9.633 1.074 -7.094 352 1HD LYS 39 2HD LYS 39 -10.905 0.102 -8.808 353 2HD LYS 39 1HD LYS 39 -12.140 0.715 -7.710 354 1HE LYS 39 2HE LYS 39 -12.939 1.591 -9.690 355 2HE LYS 39 1HE LYS 39 -11.868 2.907 -9.209 356 1HZ LYS 39 1HZ LYS 39 -10.196 2.151 -10.650 357 2HZ LYS 39 2HZ LYS 39 -11.629 2.072 -11.559 358 3HZ LYS 39 3HZ LYS 39 -10.956 0.656 -10.902 359 H ASP 40 H ASP 40 -10.151 -0.166 -6.175 360 HA ASP 40 HA ASP 40 -12.653 -1.489 -6.382 361 1HB ASP 40 2HB ASP 40 -9.790 -2.410 -6.257 362 2HB ASP 40 1HB ASP 40 -11.092 -3.601 -6.240 363 H VAL 41 H VAL 41 -10.220 -1.564 -3.771 364 HA VAL 41 HA VAL 41 -11.677 -3.416 -2.118 365 HB VAL 41 HB VAL 41 -9.667 -1.294 -1.297 366 1HG1 VAL 41 1HG1 VAL 41 -10.401 -2.003 0.749 367 2HG1 VAL 41 2HG1 VAL 41 -9.337 -3.369 0.416 368 3HG1 VAL 41 3HG1 VAL 41 -11.067 -3.504 0.103 369 1HG2 VAL 41 1HG2 VAL 41 -9.072 -3.123 -3.098 370 2HG2 VAL 41 2HG2 VAL 41 -9.037 -4.205 -1.707 371 3HG2 VAL 41 3HG2 VAL 41 -7.953 -2.815 -1.770 372 H ALA 42 H ALA 42 -11.554 0.121 -2.316 373 HA ALA 42 HA ALA 42 -13.053 0.862 -0.090 374 1HB ALA 42 1HB ALA 42 -13.071 2.881 -1.111 375 2HB ALA 42 2HB ALA 42 -13.989 2.253 -2.479 376 3HB ALA 42 3HB ALA 42 -12.231 2.105 -2.455 377 H GLU 43 H GLU 43 -14.298 -0.235 -3.246 378 HA GLU 43 HA GLU 43 -17.063 -0.111 -2.701 379 1HB GLU 43 2HB GLU 43 -16.083 -0.696 -4.917 380 2HB GLU 43 1HB GLU 43 -15.595 -2.261 -4.267 381 1HG GLU 43 2HG GLU 43 -17.944 -2.826 -3.813 382 2HG GLU 43 1HG GLU 43 -18.447 -1.244 -4.408 383 H ILE 44 H ILE 44 -14.975 -3.007 -2.374 384 HA ILE 44 HA ILE 44 -16.786 -4.664 -1.017 385 HB ILE 44 HB ILE 44 -13.840 -4.480 -0.362 386 1HG1 ILE 44 2HG1 ILE 44 -13.976 -4.557 -2.769 387 2HG1 ILE 44 1HG1 ILE 44 -13.579 -6.181 -2.214 388 1HG2 ILE 44 1HG2 ILE 44 -14.041 -6.822 0.168 389 2HG2 ILE 44 2HG2 ILE 44 -15.690 -6.876 -0.456 390 3HG2 ILE 44 3HG2 ILE 44 -15.332 -5.970 1.016 391 1HD1 ILE 44 1HD1 ILE 44 -15.289 -6.513 -3.813 392 2HD1 ILE 44 2HD1 ILE 44 -16.227 -5.143 -3.219 393 3HD1 ILE 44 3HD1 ILE 44 -16.121 -6.621 -2.261 394 H LYS 45 H LYS 45 -14.723 -2.082 0.274 395 HA LYS 45 HA LYS 45 -15.147 -2.622 3.053 396 1HB LYS 45 2HB LYS 45 -14.598 0.007 1.625 397 2HB LYS 45 1HB LYS 45 -14.531 -0.211 3.374 398 1HG LYS 45 2HG LYS 45 -12.965 -2.298 2.386 399 2HG LYS 45 1HG LYS 45 -12.555 -0.930 1.348 400 1HD LYS 45 2HD LYS 45 -12.210 0.457 3.418 401 2HD LYS 45 1HD LYS 45 -12.445 -1.003 4.379 402 1HE LYS 45 2HE LYS 45 -10.095 -0.843 4.141 403 2HE LYS 45 1HE LYS 45 -10.570 -2.032 2.928 404 1HZ LYS 45 1HZ LYS 45 -9.938 0.833 2.503 405 2HZ LYS 45 2HZ LYS 45 -10.672 -0.139 1.319 406 3HZ LYS 45 3HZ LYS 45 -9.115 -0.513 1.883 407 H ASN 46 H ASN 46 -16.896 -0.530 0.763 408 HA ASN 46 HA ASN 46 -18.833 0.452 2.630 409 1HB ASN 46 2HB ASN 46 -18.506 1.523 0.466 410 2HB ASN 46 1HB ASN 46 -18.973 0.045 -0.372 411 1HD2 ASN 46 1HD2 ASN 46 -20.412 1.950 2.343 412 2HD2 ASN 46 2HD2 ASN 46 -21.969 2.006 1.670 413 H GLN 47 H GLN 47 -18.750 -2.392 0.510 414 HA GLN 47 HA GLN 47 -21.425 -3.267 1.183 415 1HB GLN 47 2HB GLN 47 -21.041 -4.807 -0.426 416 2HB GLN 47 1HB GLN 47 -19.488 -4.014 -0.683 417 1HG GLN 47 2HG GLN 47 -18.514 -5.487 1.103 418 2HG GLN 47 1HG GLN 47 -20.047 -6.355 1.155 419 1HE2 GLN 47 1HE2 GLN 47 -18.213 -8.088 0.457 420 2HE2 GLN 47 2HE2 GLN 47 -18.082 -8.327 -1.218 421 H LEU 48 H LEU 48 -18.446 -3.304 2.844 422 HA LEU 48 HA LEU 48 -19.161 -5.627 4.537 423 1HB LEU 48 2HB LEU 48 -16.776 -3.760 4.444 424 2HB LEU 48 1HB LEU 48 -17.023 -4.883 5.781 425 HG LEU 48 HG LEU 48 -17.058 -5.829 2.913 426 1HD1 LEU 48 1HD1 LEU 48 -14.631 -6.549 3.520 427 2HD1 LEU 48 2HD1 LEU 48 -14.719 -5.275 4.736 428 3HD1 LEU 48 3HD1 LEU 48 -14.901 -4.877 3.027 429 1HD2 LEU 48 1HD2 LEU 48 -16.682 -7.097 5.638 430 2HD2 LEU 48 2HD2 LEU 48 -16.235 -7.930 4.149 431 3HD2 LEU 48 3HD2 LEU 48 -17.912 -7.465 4.428 432 H GLY 49 H GLY 49 -20.151 -2.520 4.331 433 1HA GLY 49 2HA GLY 49 -21.181 -1.035 5.816 434 2HA GLY 49 1HA GLY 49 -21.462 -2.447 6.831 435 H ILE 50 H ILE 50 -18.501 -0.617 5.893 436 HA ILE 50 HA ILE 50 -18.101 0.064 8.744 437 HB ILE 50 HB ILE 50 -15.648 -0.727 8.494 438 1HG1 ILE 50 2HG1 ILE 50 -15.527 -2.812 7.036 439 2HG1 ILE 50 1HG1 ILE 50 -17.028 -2.272 6.283 440 1HG2 ILE 50 1HG2 ILE 50 -16.263 -2.971 9.310 441 2HG2 ILE 50 2HG2 ILE 50 -17.904 -2.743 8.703 442 3HG2 ILE 50 3HG2 ILE 50 -17.302 -1.735 10.020 443 1HD1 ILE 50 1HD1 ILE 50 -16.006 -0.546 5.175 444 2HD1 ILE 50 2HD1 ILE 50 -14.581 -1.570 5.358 445 3HD1 ILE 50 3HD1 ILE 50 -14.866 -0.245 6.486 446 HA PRO 51 HA PRO 51 -16.458 3.848 7.277 447 1HB PRO 51 2HB PRO 51 -14.112 3.341 9.076 448 2HB PRO 51 1HB PRO 51 -15.160 4.771 8.966 449 1HG PRO 51 2HG PRO 51 -15.479 3.116 10.964 450 2HG PRO 51 1HG PRO 51 -16.908 3.723 10.103 451 1HD PRO 51 2HD PRO 51 -15.570 1.033 9.850 452 2HD PRO 51 1HD PRO 51 -17.304 1.413 9.947 453 H ILE 52 H ILE 52 -15.119 4.606 5.658 454 HA ILE 52 HA ILE 52 -13.593 2.784 4.080 455 HB ILE 52 HB ILE 52 -13.364 5.811 4.176 456 1HG1 ILE 52 2HG1 ILE 52 -15.169 4.073 2.467 457 2HG1 ILE 52 1HG1 ILE 52 -15.707 4.953 3.896 458 1HG2 ILE 52 1HG2 ILE 52 -11.567 4.768 2.896 459 2HG2 ILE 52 2HG2 ILE 52 -12.714 5.507 1.778 460 3HG2 ILE 52 3HG2 ILE 52 -12.727 3.762 2.031 461 1HD1 ILE 52 1HD1 ILE 52 -16.054 6.110 1.622 462 2HD1 ILE 52 2HD1 ILE 52 -14.306 6.346 1.610 463 3HD1 ILE 52 3HD1 ILE 52 -15.284 7.061 2.892 464 H ASN 53 H ASN 53 -12.600 5.220 6.486 465 HA ASN 53 HA ASN 53 -9.789 4.731 6.186 466 1HB ASN 53 2HB ASN 53 -9.498 6.198 7.967 467 2HB ASN 53 1HB ASN 53 -11.123 6.658 7.455 468 1HD2 ASN 53 1HD2 ASN 53 -9.314 5.491 10.123 469 2HD2 ASN 53 2HD2 ASN 53 -10.623 5.046 11.117 470 H ASP 54 H ASP 54 -8.607 3.032 6.889 471 HA ASP 54 HA ASP 54 -9.713 1.372 9.102 472 1HB ASP 54 2HB ASP 54 -10.112 0.429 6.743 473 2HB ASP 54 1HB ASP 54 -8.371 0.168 6.691 474 HA PRO 55 HA PRO 55 -5.241 2.927 9.727 475 1HB PRO 55 2HB PRO 55 -5.842 2.689 12.506 476 2HB PRO 55 1HB PRO 55 -5.714 4.193 11.574 477 1HG PRO 55 2HG PRO 55 -8.125 2.600 12.276 478 2HG PRO 55 1HG PRO 55 -7.924 4.356 12.141 479 1HD PRO 55 2HD PRO 55 -9.221 3.101 10.225 480 2HD PRO 55 1HD PRO 55 -7.994 4.305 9.769 481 H GLU 56 H GLU 56 -6.881 0.735 12.024 482 HA GLU 56 HA GLU 56 -5.034 -1.040 12.798 483 1HB GLU 56 2HB GLU 56 -6.809 -2.876 11.844 484 2HB GLU 56 1HB GLU 56 -7.075 -1.939 13.313 485 1HG GLU 56 2HG GLU 56 -8.375 -0.292 12.113 486 2HG GLU 56 1HG GLU 56 -7.958 -1.020 10.561 487 H ARG 57 H ARG 57 -6.602 -1.617 9.638 488 HA ARG 57 HA ARG 57 -4.735 -3.451 8.610 489 1HB ARG 57 2HB ARG 57 -6.633 -3.197 7.270 490 2HB ARG 57 1HB ARG 57 -6.581 -1.439 7.364 491 1HG ARG 57 2HG ARG 57 -5.940 -2.099 5.123 492 2HG ARG 57 1HG ARG 57 -4.512 -1.474 5.942 493 1HD ARG 57 2HD ARG 57 -3.714 -3.706 6.386 494 2HD ARG 57 1HD ARG 57 -5.214 -4.401 5.773 495 HE ARG 57 HE ARG 57 -4.409 -3.082 3.569 496 1HH1 ARG 57 1HH2 ARG 57 -2.738 -5.073 5.849 497 2HH1 ARG 57 2HH2 ARG 57 -1.649 -5.743 4.665 498 1HH2 ARG 57 1HH1 ARG 57 -2.955 -3.914 2.031 499 2HH2 ARG 57 2HH1 ARG 57 -1.783 -5.095 2.517 500 H GLU 58 H GLU 58 -4.696 0.109 8.425 501 HA GLU 58 HA GLU 58 -2.258 0.321 6.934 502 1HB GLU 58 2HB GLU 58 -3.373 2.269 8.982 503 2HB GLU 58 1HB GLU 58 -2.223 2.643 7.697 504 1HG GLU 58 2HG GLU 58 -3.903 2.049 5.997 505 2HG GLU 58 1HG GLU 58 -5.056 1.640 7.269 506 H LYS 59 H LYS 59 -2.943 0.143 10.426 507 HA LYS 59 HA LYS 59 -0.275 0.578 11.352 508 1HB LYS 59 2HB LYS 59 -2.770 -0.612 12.448 509 2HB LYS 59 1HB LYS 59 -1.275 -1.155 13.208 510 1HG LYS 59 2HG LYS 59 -2.121 0.819 14.385 511 2HG LYS 59 1HG LYS 59 -0.622 1.229 13.553 512 1HD LYS 59 2HD LYS 59 -2.040 2.068 11.626 513 2HD LYS 59 1HD LYS 59 -3.446 1.871 12.671 514 1HE LYS 59 2HE LYS 59 -2.695 4.175 12.830 515 2HE LYS 59 1HE LYS 59 -2.334 3.365 14.354 516 1HZ LYS 59 1HZ LYS 59 -0.396 3.705 12.131 517 2HZ LYS 59 2HZ LYS 59 -0.072 3.066 13.672 518 3HZ LYS 59 3HZ LYS 59 -0.474 4.709 13.497 519 H TYR 60 H TYR 60 -2.011 -2.374 10.404 520 HA TYR 60 HA TYR 60 -0.035 -4.299 10.999 521 1HB TYR 60 2HB TYR 60 -2.291 -4.916 10.273 522 2HB TYR 60 1HB TYR 60 -1.999 -4.208 8.686 523 HD1 TYR 60 1HD TYR 60 -1.622 -7.136 10.769 524 HD2 TYR 60 2HD TYR 60 -0.158 -5.198 7.224 525 HE1 TYR 60 1HE TYR 60 -0.685 -9.292 9.978 526 HE2 TYR 60 2HE TYR 60 0.784 -7.354 6.437 527 HH TYR 60 HH TYR 60 0.917 -10.162 8.486 528 H ILE 61 H ILE 61 -0.393 -2.188 8.169 529 HA ILE 61 HA ILE 61 1.716 -3.308 6.591 530 HB ILE 61 HB ILE 61 0.426 -0.585 6.728 531 1HG1 ILE 61 2HG1 ILE 61 -0.576 -2.747 5.629 532 2HG1 ILE 61 1HG1 ILE 61 -0.649 -1.222 4.748 533 1HG2 ILE 61 1HG2 ILE 61 2.844 -1.446 5.144 534 2HG2 ILE 61 2HG2 ILE 61 2.620 0.019 6.101 535 3HG2 ILE 61 3HG2 ILE 61 1.775 -0.169 4.565 536 1HD1 ILE 61 1HD1 ILE 61 1.009 -1.843 3.249 537 2HD1 ILE 61 2HD1 ILE 61 0.248 -3.405 3.550 538 3HD1 ILE 61 3HD1 ILE 61 1.748 -2.980 4.376 539 H TYR 62 H TYR 62 1.695 -0.716 9.042 540 HA TYR 62 HA TYR 62 4.340 0.197 8.816 541 1HB TYR 62 2HB TYR 62 2.419 -0.064 11.119 542 2HB TYR 62 1HB TYR 62 4.090 0.389 11.459 543 HD1 TYR 62 1HD TYR 62 1.670 1.230 8.693 544 HD2 TYR 62 2HD TYR 62 4.299 2.687 11.766 545 HE1 TYR 62 1HE TYR 62 1.172 3.566 8.019 546 HE2 TYR 62 2HE TYR 62 3.801 5.019 11.087 547 HH TYR 62 HH TYR 62 1.230 5.809 8.978 548 H ASP 63 H ASP 63 3.113 -2.607 10.638 549 HA ASP 63 HA ASP 63 5.695 -3.471 11.575 550 1HB ASP 63 2HB ASP 63 3.390 -4.155 12.472 551 2HB ASP 63 1HB ASP 63 3.290 -5.244 11.088 552 H ARG 64 H ARG 64 3.818 -4.054 8.648 553 HA ARG 64 HA ARG 64 5.385 -6.235 7.618 554 1HB ARG 64 2HB ARG 64 3.115 -5.609 6.754 555 2HB ARG 64 1HB ARG 64 3.812 -4.149 6.058 556 1HG ARG 64 2HG ARG 64 5.489 -5.818 4.912 557 2HG ARG 64 1HG ARG 64 4.243 -7.012 5.257 558 1HD ARG 64 2HD ARG 64 3.662 -4.433 3.799 559 2HD ARG 64 1HD ARG 64 4.059 -5.934 2.964 560 HE ARG 64 HE ARG 64 1.515 -5.212 4.199 561 1HH1 ARG 64 1HH2 ARG 64 3.656 -7.741 3.696 562 2HH1 ARG 64 2HH2 ARG 64 2.450 -8.974 3.684 563 1HH2 ARG 64 1HH1 ARG 64 -0.157 -6.749 4.241 564 2HH2 ARG 64 2HH1 ARG 64 0.258 -8.420 3.998 565 H ILE 65 H ILE 65 5.504 -2.720 6.983 566 HA ILE 65 HA ILE 65 7.694 -2.802 5.163 567 HB ILE 65 HB ILE 65 7.008 -0.570 7.099 568 1HG1 ILE 65 2HG1 ILE 65 5.011 -1.175 5.838 569 2HG1 ILE 65 1HG1 ILE 65 5.660 0.331 5.191 570 1HG2 ILE 65 1HG2 ILE 65 8.590 -0.731 4.534 571 2HG2 ILE 65 2HG2 ILE 65 9.108 -0.106 6.098 572 3HG2 ILE 65 3HG2 ILE 65 7.939 0.795 5.132 573 1HD1 ILE 65 1HD1 ILE 65 5.201 -0.939 3.262 574 2HD1 ILE 65 2HD1 ILE 65 5.783 -2.435 3.993 575 3HD1 ILE 65 3HD1 ILE 65 6.928 -1.184 3.511 576 H ARG 66 H ARG 66 7.633 -2.452 8.718 577 HA ARG 66 HA ARG 66 10.415 -1.971 9.087 578 1HB ARG 66 2HB ARG 66 8.353 -3.301 10.875 579 2HB ARG 66 1HB ARG 66 10.012 -3.019 11.389 580 1HG ARG 66 2HG ARG 66 9.737 -0.608 10.994 581 2HG ARG 66 1HG ARG 66 8.077 -0.875 10.468 582 1HD ARG 66 2HD ARG 66 9.044 -1.763 13.177 583 2HD ARG 66 1HD ARG 66 8.417 -0.146 12.910 584 HE ARG 66 HE ARG 66 6.539 -2.051 11.887 585 1HH1 ARG 66 1HH2 ARG 66 7.964 -1.199 14.827 586 2HH1 ARG 66 2HH2 ARG 66 6.673 -1.856 15.803 587 1HH2 ARG 66 1HH1 ARG 66 4.825 -2.903 13.068 588 2HH2 ARG 66 2HH1 ARG 66 4.900 -2.842 14.800 589 H LYS 67 H LYS 67 8.598 -5.023 8.829 590 HA LYS 67 HA LYS 67 10.868 -6.727 9.382 591 1HB LYS 67 2HB LYS 67 8.491 -7.456 9.603 592 2HB LYS 67 1HB LYS 67 8.328 -7.378 7.851 593 1HG LYS 67 2HG LYS 67 10.117 -9.069 7.609 594 2HG LYS 67 1HG LYS 67 10.273 -9.153 9.364 595 1HD LYS 67 2HD LYS 67 7.910 -9.879 9.535 596 2HD LYS 67 1HD LYS 67 7.771 -9.820 7.778 597 1HE LYS 67 2HE LYS 67 9.531 -11.533 7.570 598 2HE LYS 67 1HE LYS 67 9.697 -11.584 9.324 599 1HZ LYS 67 1HZ LYS 67 7.940 -12.911 9.491 600 2HZ LYS 67 2HZ LYS 67 7.979 -13.084 7.801 601 3HZ LYS 67 3HZ LYS 67 6.984 -11.906 8.516 602 H LEU 68 H LEU 68 9.250 -5.804 6.314 603 HA LEU 68 HA LEU 68 11.144 -7.137 4.613 604 1HB LEU 68 2HB LEU 68 9.456 -4.679 4.044 605 2HB LEU 68 1HB LEU 68 10.266 -5.663 2.828 606 HG LEU 68 HG LEU 68 8.161 -6.712 4.745 607 1HD1 LEU 68 1HD1 LEU 68 6.611 -6.586 2.893 608 2HD1 LEU 68 2HD1 LEU 68 7.893 -6.077 1.795 609 3HD1 LEU 68 3HD1 LEU 68 7.348 -4.994 3.073 610 1HD2 LEU 68 1HD2 LEU 68 8.141 -8.511 2.845 611 2HD2 LEU 68 2HD2 LEU 68 9.434 -8.564 4.043 612 3HD2 LEU 68 3HD2 LEU 68 9.736 -7.871 2.449 613 H CYS 69 H CYS 69 11.155 -4.046 6.263 614 HA CYS 69 HA CYS 69 13.182 -2.736 4.734 615 1HB CYS 69 2HB CYS 69 12.121 -2.458 7.526 616 2HB CYS 69 1HB CYS 69 13.591 -1.590 7.079 617 HG CYS 69 HG CYS 69 11.895 0.065 6.246 618 H LYS 70 H LYS 70 13.432 -4.690 7.715 619 HA LYS 70 HA LYS 70 16.301 -4.580 7.848 620 1HB LYS 70 2HB LYS 70 14.476 -6.757 8.905 621 2HB LYS 70 1HB LYS 70 16.113 -6.401 9.450 622 1HG LYS 70 2HG LYS 70 13.715 -4.554 9.694 623 2HG LYS 70 1HG LYS 70 14.474 -5.447 11.011 624 1HD LYS 70 2HD LYS 70 16.648 -4.225 10.331 625 2HD LYS 70 1HD LYS 70 15.593 -3.136 9.429 626 1HE LYS 70 2HE LYS 70 14.333 -2.624 11.476 627 2HE LYS 70 1HE LYS 70 15.338 -3.751 12.389 628 1HZ LYS 70 1HZ LYS 70 17.082 -2.342 12.394 629 2HZ LYS 70 2HZ LYS 70 15.863 -1.169 12.230 630 3HZ LYS 70 3HZ LYS 70 16.727 -1.696 10.866 631 H GLU 71 H GLU 71 14.022 -6.717 6.213 632 HA GLU 71 HA GLU 71 15.859 -8.821 5.577 633 1HB GLU 71 2HB GLU 71 13.313 -7.889 4.235 634 2HB GLU 71 1HB GLU 71 14.205 -9.318 3.717 635 1HG GLU 71 2HG GLU 71 13.941 -10.326 5.923 636 2HG GLU 71 1HG GLU 71 13.150 -8.868 6.519 637 H HIS 72 H HIS 72 14.642 -6.204 3.434 638 HA HIS 72 HA HIS 72 16.711 -6.799 1.461 639 1HB HIS 72 2HB HIS 72 14.857 -4.409 1.587 640 2HB HIS 72 1HB HIS 72 15.728 -5.001 0.175 641 HD1 HIS 72 1HD HIS 72 15.095 -7.656 -0.421 642 HD2 HIS 72 2HD HIS 72 12.301 -5.450 1.753 643 HE1 HIS 72 1HE HIS 72 12.883 -8.874 -0.650 644 HE2 HIS 72 2HE HIS 72 11.177 -7.539 0.669 645 H ASN 73 H ASN 73 16.988 -5.417 4.375 646 HA ASN 73 HA ASN 73 18.282 -3.640 5.279 647 1HB ASN 73 2HB ASN 73 20.072 -5.024 3.268 648 2HB ASN 73 1HB ASN 73 20.668 -3.822 4.420 649 1HD2 ASN 73 1HD2 ASN 73 19.157 -4.482 6.723 650 2HD2 ASN 73 2HD2 ASN 73 19.542 -6.062 7.229 651 H VAL 74 H VAL 74 16.621 -2.820 2.949 652 HA VAL 74 HA VAL 74 18.246 -1.141 1.244 653 HB VAL 74 HB VAL 74 16.007 -1.950 0.576 654 1HG1 VAL 74 1HG1 VAL 74 14.024 -1.254 1.640 655 2HG1 VAL 74 2HG1 VAL 74 14.831 0.077 2.468 656 3HG1 VAL 74 3HG1 VAL 74 15.112 -1.584 2.989 657 1HG2 VAL 74 1HG2 VAL 74 15.206 0.158 -0.369 658 2HG2 VAL 74 2HG2 VAL 74 16.968 0.128 -0.415 659 3HG2 VAL 74 3HG2 VAL 74 16.133 1.072 0.821 660 H ASP 75 H ASP 75 16.161 -0.474 4.072 661 HA ASP 75 HA ASP 75 17.891 1.620 5.027 662 1HB ASP 75 2HB ASP 75 15.526 2.384 3.345 663 2HB ASP 75 1HB ASP 75 15.990 3.413 4.700 664 H GLU 76 H GLU 76 15.979 3.177 6.403 665 HA GLU 76 HA GLU 76 14.367 1.187 7.927 666 1HB GLU 76 2HB GLU 76 16.384 3.127 9.092 667 2HB GLU 76 1HB GLU 76 15.164 2.294 10.056 668 1HG GLU 76 2HG GLU 76 16.055 0.119 9.353 669 2HG GLU 76 1HG GLU 76 17.242 0.922 8.325 670 H ASN 77 H ASN 77 14.479 3.874 9.766 671 HA ASN 77 HA ASN 77 11.881 4.719 9.524 672 1HB ASN 77 2HB ASN 77 12.709 7.028 10.200 673 2HB ASN 77 1HB ASN 77 13.235 5.696 11.229 674 1HD2 ASN 77 1HD2 ASN 77 14.326 8.137 8.942 675 2HD2 ASN 77 2HD2 ASN 77 15.986 7.813 9.100 676 H ILE 78 H ILE 78 14.550 5.777 7.407 677 HA ILE 78 HA ILE 78 13.280 7.855 6.031 678 HB ILE 78 HB ILE 78 14.927 5.736 4.634 679 1HG1 ILE 78 2HG1 ILE 78 16.612 7.816 5.474 680 2HG1 ILE 78 1HG1 ILE 78 15.624 7.442 6.887 681 1HG2 ILE 78 1HG2 ILE 78 13.962 7.475 3.202 682 2HG2 ILE 78 2HG2 ILE 78 15.702 7.721 3.345 683 3HG2 ILE 78 3HG2 ILE 78 14.593 8.730 4.270 684 1HD1 ILE 78 1HD1 ILE 78 17.306 5.506 5.275 685 2HD1 ILE 78 2HD1 ILE 78 16.172 5.006 6.529 686 3HD1 ILE 78 3HD1 ILE 78 17.565 6.003 6.947 687 H GLY 79 H GLY 79 13.223 4.408 5.041 688 1HA GLY 79 2HA GLY 79 11.342 4.758 2.939 689 2HA GLY 79 1HA GLY 79 11.649 3.232 3.764 690 H ILE 80 H ILE 80 10.838 3.976 6.378 691 HA ILE 80 HA ILE 80 8.030 3.499 6.209 692 HB ILE 80 HB ILE 80 9.715 4.557 8.490 693 1HG1 ILE 80 2HG1 ILE 80 8.545 1.802 8.007 694 2HG1 ILE 80 1HG1 ILE 80 10.199 2.246 7.588 695 1HG2 ILE 80 1HG2 ILE 80 7.479 5.202 8.995 696 2HG2 ILE 80 2HG2 ILE 80 7.729 3.687 9.862 697 3HG2 ILE 80 3HG2 ILE 80 6.820 3.700 8.349 698 1HD1 ILE 80 1HD1 ILE 80 10.438 3.002 10.037 699 2HD1 ILE 80 2HD1 ILE 80 10.369 1.264 9.745 700 3HD1 ILE 80 3HD1 ILE 80 8.941 2.116 10.332 701 H LYS 81 H LYS 81 9.839 6.514 6.800 702 HA LYS 81 HA LYS 81 7.639 8.214 7.336 703 1HB LYS 81 2HB LYS 81 10.231 8.816 5.892 704 2HB LYS 81 1HB LYS 81 9.101 10.043 6.461 705 1HG LYS 81 2HG LYS 81 10.177 7.960 8.354 706 2HG LYS 81 1HG LYS 81 11.111 9.410 7.987 707 1HD LYS 81 2HD LYS 81 9.183 10.810 8.672 708 2HD LYS 81 1HD LYS 81 8.287 9.351 9.096 709 1HE LYS 81 2HE LYS 81 10.005 8.766 10.763 710 2HE LYS 81 1HE LYS 81 10.933 10.200 10.320 711 1HZ LYS 81 1HZ LYS 81 8.814 10.005 12.141 712 2HZ LYS 81 2HZ LYS 81 8.301 10.988 10.855 713 3HZ LYS 81 3HZ LYS 81 9.710 11.380 11.718 714 H ILE 82 H ILE 82 9.051 7.276 4.193 715 HA ILE 82 HA ILE 82 7.327 8.959 2.611 716 HB ILE 82 HB ILE 82 9.072 6.579 2.072 717 1HG1 ILE 82 2HG1 ILE 82 10.304 8.177 0.746 718 2HG1 ILE 82 1HG1 ILE 82 8.995 9.355 0.855 719 1HG2 ILE 82 1HG2 ILE 82 6.959 7.769 0.277 720 2HG2 ILE 82 2HG2 ILE 82 7.331 6.069 0.568 721 3HG2 ILE 82 3HG2 ILE 82 8.421 7.055 -0.405 722 1HD1 ILE 82 1HD1 ILE 82 11.032 9.647 2.444 723 2HD1 ILE 82 2HD1 ILE 82 10.330 8.303 3.346 724 3HD1 ILE 82 3HD1 ILE 82 9.415 9.794 3.131 725 H PHE 83 H PHE 83 7.089 5.545 3.618 726 HA PHE 83 HA PHE 83 4.880 4.741 2.097 727 1HB PHE 83 2HB PHE 83 6.034 3.984 4.716 728 2HB PHE 83 1HB PHE 83 4.346 3.530 4.483 729 HD1 PHE 83 1HD PHE 83 7.746 2.681 3.770 730 HD2 PHE 83 2HD PHE 83 3.743 2.339 2.249 731 HE1 PHE 83 1HE PHE 83 8.451 0.778 2.344 732 HE2 PHE 83 2HE PHE 83 4.450 0.438 0.820 733 HZ PHE 83 HZ PHE 83 6.804 -0.342 0.868 734 H GLN 84 H GLN 84 4.758 6.256 5.342 735 HA GLN 84 HA GLN 84 2.032 6.464 5.740 736 1HB GLN 84 2HB GLN 84 3.958 7.383 7.175 737 2HB GLN 84 1HB GLN 84 3.874 8.825 6.166 738 1HG GLN 84 2HG GLN 84 1.482 7.678 7.630 739 2HG GLN 84 1HG GLN 84 2.512 8.946 8.301 740 1HE2 GLN 84 1HE2 GLN 84 -0.372 9.148 7.448 741 2HE2 GLN 84 2HE2 GLN 84 -0.409 10.379 6.273 742 H ARG 85 H ARG 85 4.028 8.625 3.721 743 HA ARG 85 HA ARG 85 1.987 10.399 2.889 744 1HB ARG 85 2HB ARG 85 4.436 10.679 2.404 745 2HB ARG 85 1HB ARG 85 4.314 9.389 1.212 746 1HG ARG 85 2HG ARG 85 2.635 10.721 -0.045 747 2HG ARG 85 1HG ARG 85 2.786 12.022 1.141 748 1HD ARG 85 2HD ARG 85 5.102 10.956 -0.510 749 2HD ARG 85 1HD ARG 85 4.162 12.362 -0.939 750 HE ARG 85 HE ARG 85 5.069 12.761 1.719 751 1HH1 ARG 85 1HH2 ARG 85 6.311 12.278 -1.471 752 2HH1 ARG 85 2HH2 ARG 85 7.837 13.035 -1.146 753 1HH2 ARG 85 1HH1 ARG 85 7.091 13.808 2.144 754 2HH2 ARG 85 2HH1 ARG 85 8.275 13.884 0.881 755 H LEU 86 H LEU 86 2.979 7.250 1.543 756 HA LEU 86 HA LEU 86 1.144 7.255 -0.668 757 1HB LEU 86 2HB LEU 86 2.660 5.126 0.820 758 2HB LEU 86 1HB LEU 86 1.451 4.663 -0.373 759 HG LEU 86 HG LEU 86 2.616 6.112 -2.043 760 1HD1 LEU 86 1HD1 LEU 86 4.596 6.391 0.232 761 2HD1 LEU 86 2HD1 LEU 86 3.732 7.684 -0.599 762 3HD1 LEU 86 3HD1 LEU 86 4.982 6.775 -1.446 763 1HD2 LEU 86 1HD2 LEU 86 4.346 3.999 -0.726 764 2HD2 LEU 86 2HD2 LEU 86 4.529 4.588 -2.378 765 3HD2 LEU 86 3HD2 LEU 86 3.083 3.689 -1.916 766 H ILE 87 H ILE 87 0.842 6.271 2.715 767 HA ILE 87 HA ILE 87 -1.611 4.822 2.491 768 HB ILE 87 HB ILE 87 -0.696 6.505 4.841 769 1HG1 ILE 87 2HG1 ILE 87 1.124 5.033 4.158 770 2HG1 ILE 87 1HG1 ILE 87 0.380 4.382 5.619 771 1HG2 ILE 87 1HG2 ILE 87 -1.906 4.625 6.079 772 2HG2 ILE 87 2HG2 ILE 87 -2.577 4.161 4.516 773 3HG2 ILE 87 3HG2 ILE 87 -2.932 5.752 5.191 774 1HD1 ILE 87 1HD1 ILE 87 -1.107 3.021 3.954 775 2HD1 ILE 87 2HD1 ILE 87 0.544 2.482 4.255 776 3HD1 ILE 87 3HD1 ILE 87 0.165 3.382 2.787 777 H GLU 88 H GLU 88 -0.968 8.282 3.047 778 HA GLU 88 HA GLU 88 -3.686 9.082 3.432 779 1HB GLU 88 2HB GLU 88 -1.323 10.598 2.282 780 2HB GLU 88 1HB GLU 88 -2.852 11.343 2.745 781 1HG GLU 88 2HG GLU 88 -1.081 9.756 4.630 782 2HG GLU 88 1HG GLU 88 -1.109 11.517 4.529 783 H HIS 89 H HIS 89 -1.668 8.983 0.488 784 HA HIS 89 HA HIS 89 -3.638 9.951 -1.318 785 1HB HIS 89 2HB HIS 89 -2.021 9.592 -2.859 786 2HB HIS 89 1HB HIS 89 -1.011 9.114 -1.500 787 HD1 HIS 89 1HD HIS 89 -0.314 6.683 -1.359 788 HD2 HIS 89 2HD HIS 89 -3.246 7.334 -4.256 789 HE1 HIS 89 1HE HIS 89 -0.489 4.538 -2.698 790 HE2 HIS 89 2HE HIS 89 -2.270 4.924 -4.462 791 H ASN 90 H ASN 90 -3.229 6.841 0.195 792 HA ASN 90 HA ASN 90 -4.897 5.320 -1.615 793 1HB ASN 90 2HB ASN 90 -3.208 4.508 0.219 794 2HB ASN 90 1HB ASN 90 -4.576 4.688 1.317 795 1HD2 ASN 90 1HD2 ASN 90 -6.728 3.643 0.229 796 2HD2 ASN 90 2HD2 ASN 90 -6.490 2.090 -0.415 797 H LYS 91 H LYS 91 -5.477 6.942 1.516 798 HA LYS 91 HA LYS 91 -8.302 6.336 1.598 799 1HB LYS 91 2HB LYS 91 -6.610 8.440 2.988 800 2HB LYS 91 1HB LYS 91 -8.328 8.214 3.313 801 1HG LYS 91 2HG LYS 91 -7.948 5.934 4.057 802 2HG LYS 91 1HG LYS 91 -6.254 6.017 3.577 803 1HD LYS 91 2HD LYS 91 -6.507 6.349 6.017 804 2HD LYS 91 1HD LYS 91 -5.858 7.792 5.241 805 1HE LYS 91 2HE LYS 91 -7.817 8.056 6.954 806 2HE LYS 91 1HE LYS 91 -7.877 8.970 5.448 807 1HZ LYS 91 1HZ LYS 91 -9.981 7.928 5.790 808 2HZ LYS 91 2HZ LYS 91 -9.259 6.409 6.038 809 3HZ LYS 91 3HZ LYS 91 -9.215 7.135 4.502 810 H ALA 92 H ALA 92 -6.424 9.174 0.597 811 HA ALA 92 HA ALA 92 -8.394 11.027 0.032 812 1HB ALA 92 1HB ALA 92 -6.033 11.510 -0.329 813 2HB ALA 92 2HB ALA 92 -6.936 11.840 -1.807 814 3HB ALA 92 3HB ALA 92 -5.983 10.363 -1.668 815 H LEU 93 H LEU 93 -7.176 8.758 -2.481 816 HA LEU 93 HA LEU 93 -9.386 9.434 -4.220 817 1HB LEU 93 2HB LEU 93 -8.249 8.294 -5.832 818 2HB LEU 93 1HB LEU 93 -6.925 8.486 -4.693 819 HG LEU 93 HG LEU 93 -6.910 6.207 -5.396 820 1HD1 LEU 93 1HD1 LEU 93 -8.240 5.404 -2.998 821 2HD1 LEU 93 2HD1 LEU 93 -7.418 6.936 -2.700 822 3HD1 LEU 93 3HD1 LEU 93 -6.509 5.550 -3.300 823 1HD2 LEU 93 1HD2 LEU 93 -9.650 6.569 -5.741 824 2HD2 LEU 93 2HD2 LEU 93 -9.534 5.371 -4.451 825 3HD2 LEU 93 3HD2 LEU 93 -8.756 5.071 -6.006 826 H GLN 94 H GLN 94 -8.967 7.088 -1.718 827 HA GLN 94 HA GLN 94 -10.936 5.173 -2.574 828 1HB GLN 94 2HB GLN 94 -9.414 5.787 -0.152 829 2HB GLN 94 1HB GLN 94 -11.050 5.235 0.207 830 1HG GLN 94 2HG GLN 94 -10.726 3.237 -1.152 831 2HG GLN 94 1HG GLN 94 -9.123 3.791 -1.642 832 1HE2 GLN 94 1HE2 GLN 94 -10.718 1.827 0.588 833 2HE2 GLN 94 2HE2 GLN 94 -9.503 1.745 1.783 834 H LYS 95 H LYS 95 -11.147 7.930 -0.304 835 HA LYS 95 HA LYS 95 -13.983 7.764 0.074 836 1HB LYS 95 2HB LYS 95 -12.055 10.092 0.381 837 2HB LYS 95 1HB LYS 95 -13.741 10.141 0.892 838 1HG LYS 95 2HG LYS 95 -13.338 8.233 2.413 839 2HG LYS 95 1HG LYS 95 -11.647 8.193 1.908 840 1HD LYS 95 2HD LYS 95 -11.324 10.484 2.747 841 2HD LYS 95 1HD LYS 95 -13.021 10.561 3.217 842 1HE LYS 95 2HE LYS 95 -12.665 8.664 4.771 843 2HE LYS 95 1HE LYS 95 -10.961 8.625 4.320 844 1HZ LYS 95 1HZ LYS 95 -11.621 9.922 6.401 845 2HZ LYS 95 2HZ LYS 95 -12.219 11.100 5.332 846 3HZ LYS 95 3HZ LYS 95 -10.573 10.679 5.303 847 H GLN 96 H GLN 96 -11.982 9.662 -2.184 848 HA GLN 96 HA GLN 96 -14.177 11.107 -3.349 849 1HB GLN 96 2HB GLN 96 -11.439 10.405 -4.450 850 2HB GLN 96 1HB GLN 96 -12.561 11.523 -5.226 851 1HG GLN 96 2HG GLN 96 -11.526 11.841 -2.392 852 2HG GLN 96 1HG GLN 96 -10.852 12.671 -3.794 853 1HE2 GLN 96 1HE2 GLN 96 -12.456 14.083 -5.053 854 2HE2 GLN 96 2HE2 GLN 96 -13.694 14.848 -4.179 855 H TYR 97 H TYR 97 -12.622 8.023 -4.114 856 HA TYR 97 HA TYR 97 -13.969 7.530 -6.592 857 1HB TYR 97 2HB TYR 97 -12.046 6.201 -6.048 858 2HB TYR 97 1HB TYR 97 -12.753 5.694 -4.515 859 HD1 TYR 97 1HD TYR 97 -14.184 3.797 -4.386 860 HD2 TYR 97 2HD TYR 97 -13.153 5.456 -8.213 861 HE1 TYR 97 1HE TYR 97 -15.243 1.857 -5.513 862 HE2 TYR 97 2HE TYR 97 -14.210 3.515 -9.338 863 HH TYR 97 HH TYR 97 -16.312 1.465 -7.877 864 H LEU 98 H LEU 98 -14.706 6.375 -3.280 865 HA LEU 98 HA LEU 98 -17.098 4.988 -3.955 866 1HB LEU 98 2HB LEU 98 -16.235 6.339 -1.386 867 2HB LEU 98 1HB LEU 98 -17.701 5.373 -1.516 868 HG LEU 98 HG LEU 98 -14.916 4.353 -2.160 869 1HD1 LEU 98 1HD1 LEU 98 -16.622 4.252 0.325 870 2HD1 LEU 98 2HD1 LEU 98 -14.911 4.658 0.179 871 3HD1 LEU 98 3HD1 LEU 98 -15.440 2.987 -0.011 872 1HD2 LEU 98 1HD2 LEU 98 -16.342 2.929 -3.329 873 2HD2 LEU 98 2HD2 LEU 98 -17.682 3.187 -2.212 874 3HD2 LEU 98 3HD2 LEU 98 -16.336 2.145 -1.749 875 H GLU 99 H GLU 99 -16.543 8.385 -3.075 876 HA GLU 99 HA GLU 99 -19.322 9.143 -2.986 877 1HB GLU 99 2HB GLU 99 -16.791 10.738 -3.451 878 2HB GLU 99 1HB GLU 99 -18.389 11.474 -3.321 879 1HG GLU 99 2HG GLU 99 -17.172 9.681 -1.198 880 2HG GLU 99 1HG GLU 99 -17.127 11.444 -1.149 881 H GLU 100 H GLU 100 -16.888 9.145 -5.572 882 HA GLU 100 HA GLU 100 -18.637 10.433 -7.491 883 1HB GLU 100 2HB GLU 100 -16.832 10.401 -8.884 884 2HB GLU 100 1HB GLU 100 -15.973 10.068 -7.382 885 1HG GLU 100 2HG GLU 100 -15.178 8.382 -8.796 886 2HG GLU 100 1HG GLU 100 -16.482 7.561 -7.936 887 H THR 101 H THR 101 -18.269 7.168 -6.394 888 HA THR 101 HA THR 101 -19.556 6.026 -8.788 889 HB THR 101 HB THR 101 -19.584 3.938 -7.275 890 HG1 THR 101 1HG THR 101 -17.627 5.280 -5.806 891 1HG2 THR 101 1HG2 THR 101 -17.914 4.374 -9.062 892 2HG2 THR 101 2HG2 THR 101 -17.210 3.519 -7.690 893 3HG2 THR 101 3HG2 THR 101 -16.921 5.248 -7.897 894 H LEU 102 H LEU 102 -20.463 7.331 -5.708 895 HA LEU 102 HA LEU 102 -23.162 6.104 -5.830 896 1HB LEU 102 2HB LEU 102 -21.891 7.979 -3.804 897 2HB LEU 102 1HB LEU 102 -23.521 7.316 -3.670 898 HG LEU 102 HG LEU 102 -21.034 5.602 -3.919 899 1HD1 LEU 102 1HD1 LEU 102 -20.948 6.862 -1.819 900 2HD1 LEU 102 2HD1 LEU 102 -21.352 5.178 -1.486 901 3HD1 LEU 102 3HD1 LEU 102 -22.613 6.411 -1.459 902 1HD2 LEU 102 1HD2 LEU 102 -23.970 5.112 -3.475 903 2HD2 LEU 102 2HD2 LEU 102 -22.789 3.973 -2.832 904 3HD2 LEU 102 3HD2 LEU 102 -22.861 4.282 -4.566 905 H GLU 103 H GLU 103 -21.534 8.922 -6.861 906 HA GLU 103 HA GLU 103 -24.135 10.367 -7.227 907 1HB GLU 103 2HB GLU 103 -21.293 11.407 -7.012 908 2HB GLU 103 1HB GLU 103 -22.672 12.409 -7.454 909 1HG GLU 103 2HG GLU 103 -23.749 11.910 -5.308 910 2HG GLU 103 1HG GLU 103 -22.406 10.854 -4.863 911 H HIS 104 H HIS 104 -24.638 11.057 -9.269 912 HA HIS 104 HA HIS 104 -23.348 9.763 -11.534 913 1HB HIS 104 2HB HIS 104 -25.499 11.919 -11.378 914 2HB HIS 104 1HB HIS 104 -24.986 11.145 -12.877 915 HD1 HIS 104 1HD HIS 104 -27.005 10.570 -9.787 916 HD2 HIS 104 2HD HIS 104 -25.738 8.357 -13.090 917 HE1 HIS 104 1HE HIS 104 -28.290 8.385 -9.724 918 HE2 HIS 104 2HE HIS 104 -27.526 7.031 -11.727 919 H2 TSA 501 1H2 TSA 501 -4.602 -0.662 4.101 920 H3 TSA 501 1H3 TSA 501 -5.984 0.488 5.870 921 H4 TSA 501 4H TSA 501 -8.225 0.953 4.622 922 HO5 TSA 501 HO5 TSA 501 -7.044 2.393 6.095 923 H5 TSA 501 5H TSA 501 -7.902 2.651 2.628 924 1H6 TSA 501 1H6 TSA 501 -5.653 2.882 1.787 925 2H6 TSA 501 2H6 TSA 501 -5.395 3.046 3.465 926 H8 TSA 501 8H TSA 501 -6.914 0.864 0.200 927 1H9 TSA 501 1H9 TSA 501 -4.607 -0.421 1.257 928 2H9 TSA 501 2H9 TSA 501 -4.669 1.088 0.561 Start of MODEL 3 1 1H MET 1 1HT MET 1 -17.134 -11.710 -3.079 2 2H MET 1 2HT MET 1 -15.746 -12.361 -2.344 3 3H MET 1 3HT MET 1 -15.681 -10.834 -3.087 4 HA MET 1 HA MET 1 -17.179 -9.918 -1.444 5 1HB MET 1 2HB MET 1 -17.061 -12.738 -0.320 6 2HB MET 1 1HB MET 1 -17.773 -11.357 0.514 7 1HG MET 1 2HG MET 1 -18.666 -12.363 -2.209 8 2HG MET 1 1HG MET 1 -19.476 -12.746 -0.690 9 1HE MET 1 1HE MET 1 -21.162 -9.797 0.551 10 2HE MET 1 2HE MET 1 -19.449 -9.748 0.962 11 3HE MET 1 3HE MET 1 -20.285 -11.297 0.883 12 H ILE 2 H ILE 2 -15.856 -11.901 0.930 13 HA ILE 2 HA ILE 2 -13.879 -9.944 1.690 14 HB ILE 2 HB ILE 2 -15.049 -11.529 3.266 15 1HG1 ILE 2 2HG1 ILE 2 -12.028 -11.793 3.352 16 2HG1 ILE 2 1HG1 ILE 2 -12.881 -10.310 3.781 17 1HG2 ILE 2 1HG2 ILE 2 -14.694 -13.510 1.682 18 2HG2 ILE 2 2HG2 ILE 2 -14.390 -13.816 3.392 19 3HG2 ILE 2 3HG2 ILE 2 -13.039 -13.565 2.288 20 1HD1 ILE 2 1HD1 ILE 2 -12.410 -11.656 5.792 21 2HD1 ILE 2 2HD1 ILE 2 -13.286 -13.016 5.089 22 3HD1 ILE 2 3HD1 ILE 2 -14.146 -11.536 5.512 23 H GLU 3 H GLU 3 -13.791 -12.891 -0.226 24 HA GLU 3 HA GLU 3 -10.949 -13.292 -0.222 25 1HB GLU 3 2HB GLU 3 -13.083 -14.002 -2.255 26 2HB GLU 3 1HB GLU 3 -11.404 -14.528 -2.379 27 1HG GLU 3 2HG GLU 3 -11.571 -15.677 -0.225 28 2HG GLU 3 1HG GLU 3 -13.229 -15.107 -0.027 29 H LYS 4 H LYS 4 -13.095 -11.319 -2.235 30 HA LYS 4 HA LYS 4 -11.249 -10.566 -4.249 31 1HB LYS 4 2HB LYS 4 -13.473 -8.897 -3.021 32 2HB LYS 4 1HB LYS 4 -12.704 -8.599 -4.579 33 1HG LYS 4 2HG LYS 4 -13.998 -11.255 -3.970 34 2HG LYS 4 1HG LYS 4 -14.948 -9.899 -4.577 35 1HD LYS 4 2HD LYS 4 -13.395 -9.715 -6.518 36 2HD LYS 4 1HD LYS 4 -12.527 -11.133 -5.929 37 1HE LYS 4 2HE LYS 4 -14.572 -12.487 -6.130 38 2HE LYS 4 1HE LYS 4 -15.463 -11.071 -6.690 39 1HZ LYS 4 1HZ LYS 4 -14.867 -11.836 -8.700 40 2HZ LYS 4 2HZ LYS 4 -13.560 -12.741 -8.102 41 3HZ LYS 4 3HZ LYS 4 -13.391 -11.071 -8.367 42 H LEU 5 H LEU 5 -11.859 -9.117 -1.057 43 HA LEU 5 HA LEU 5 -10.036 -6.922 -1.297 44 1HB LEU 5 2HB LEU 5 -11.745 -7.055 0.464 45 2HB LEU 5 1HB LEU 5 -10.950 -8.471 1.145 46 HG LEU 5 HG LEU 5 -9.176 -6.136 0.822 47 1HD1 LEU 5 1HD1 LEU 5 -10.177 -5.100 2.938 48 2HD1 LEU 5 2HD1 LEU 5 -11.610 -6.077 2.622 49 3HD1 LEU 5 3HD1 LEU 5 -11.101 -4.856 1.457 50 1HD2 LEU 5 1HD2 LEU 5 -8.386 -6.873 2.973 51 2HD2 LEU 5 2HD2 LEU 5 -8.716 -8.335 2.043 52 3HD2 LEU 5 3HD2 LEU 5 -9.861 -7.791 3.269 53 H ALA 6 H ALA 6 -9.618 -10.266 -0.219 54 HA ALA 6 HA ALA 6 -6.983 -10.040 0.822 55 1HB ALA 6 1HB ALA 6 -8.475 -12.024 1.090 56 2HB ALA 6 2HB ALA 6 -6.852 -12.452 0.548 57 3HB ALA 6 3HB ALA 6 -8.188 -12.427 -0.602 58 H GLU 7 H GLU 7 -7.764 -11.571 -2.329 59 HA GLU 7 HA GLU 7 -5.172 -11.563 -3.370 60 1HB GLU 7 2HB GLU 7 -7.793 -11.153 -4.832 61 2HB GLU 7 1HB GLU 7 -6.259 -11.499 -5.631 62 1HG GLU 7 2HG GLU 7 -6.070 -13.611 -4.381 63 2HG GLU 7 1HG GLU 7 -7.591 -13.266 -3.557 64 H ILE 8 H ILE 8 -7.519 -8.905 -3.341 65 HA ILE 8 HA ILE 8 -6.093 -7.130 -5.066 66 HB ILE 8 HB ILE 8 -8.058 -6.695 -2.823 67 1HG1 ILE 8 2HG1 ILE 8 -8.260 -6.079 -5.783 68 2HG1 ILE 8 1HG1 ILE 8 -8.738 -7.631 -5.095 69 1HG2 ILE 8 1HG2 ILE 8 -6.994 -4.658 -2.638 70 2HG2 ILE 8 2HG2 ILE 8 -8.052 -4.294 -4.002 71 3HG2 ILE 8 3HG2 ILE 8 -6.363 -4.720 -4.283 72 1HD1 ILE 8 1HD1 ILE 8 -9.886 -4.911 -4.399 73 2HD1 ILE 8 2HD1 ILE 8 -10.281 -6.401 -3.542 74 3HD1 ILE 8 3HD1 ILE 8 -10.711 -6.221 -5.243 75 H ARG 9 H ARG 9 -6.042 -7.431 -1.498 76 HA ARG 9 HA ARG 9 -4.074 -5.356 -1.138 77 1HB ARG 9 2HB ARG 9 -4.966 -7.650 0.650 78 2HB ARG 9 1HB ARG 9 -3.835 -6.397 1.165 79 1HG ARG 9 2HG ARG 9 -5.656 -4.719 0.370 80 2HG ARG 9 1HG ARG 9 -6.753 -6.097 0.432 81 1HD ARG 9 2HD ARG 9 -6.022 -6.485 2.809 82 2HD ARG 9 1HD ARG 9 -5.085 -4.997 2.706 83 HE ARG 9 HE ARG 9 -7.641 -4.209 1.972 84 1HH1 ARG 9 1HH2 ARG 9 -6.287 -5.991 4.592 85 2HH1 ARG 9 2HH2 ARG 9 -7.282 -5.238 5.798 86 1HH2 ARG 9 1HH1 ARG 9 -8.996 -3.256 3.530 87 2HH2 ARG 9 2HH1 ARG 9 -8.800 -3.676 5.199 88 H LYS 10 H LYS 10 -3.873 -8.717 -2.016 89 HA LYS 10 HA LYS 10 -1.105 -9.137 -1.292 90 1HB LYS 10 2HB LYS 10 -2.938 -10.475 -3.310 91 2HB LYS 10 1HB LYS 10 -1.280 -11.007 -3.029 92 1HG LYS 10 2HG LYS 10 -1.853 -11.276 -0.588 93 2HG LYS 10 1HG LYS 10 -3.533 -10.924 -0.999 94 1HD LYS 10 2HD LYS 10 -3.545 -12.845 -2.564 95 2HD LYS 10 1HD LYS 10 -1.878 -13.211 -2.116 96 1HE LYS 10 2HE LYS 10 -2.581 -13.547 0.229 97 2HE LYS 10 1HE LYS 10 -4.249 -13.189 -0.221 98 1HZ LYS 10 1HZ LYS 10 -2.596 -15.522 -0.937 99 2HZ LYS 10 2HZ LYS 10 -3.898 -15.063 -1.928 100 3HZ LYS 10 3HZ LYS 10 -4.169 -15.480 -0.304 101 H LYS 11 H LYS 11 -2.788 -7.778 -4.084 102 HA LYS 11 HA LYS 11 -0.532 -7.610 -5.849 103 1HB LYS 11 2HB LYS 11 -2.915 -5.727 -5.647 104 2HB LYS 11 1HB LYS 11 -1.828 -5.871 -7.026 105 1HG LYS 11 2HG LYS 11 -2.512 -8.395 -6.987 106 2HG LYS 11 1HG LYS 11 -3.884 -7.831 -6.035 107 1HD LYS 11 2HD LYS 11 -4.501 -6.257 -7.821 108 2HD LYS 11 1HD LYS 11 -3.111 -6.777 -8.773 109 1HE LYS 11 2HE LYS 11 -4.931 -8.020 -9.653 110 2HE LYS 11 1HE LYS 11 -4.094 -9.150 -8.589 111 1HZ LYS 11 1HZ LYS 11 -5.748 -8.117 -6.845 112 2HZ LYS 11 2HZ LYS 11 -6.210 -9.412 -7.845 113 3HZ LYS 11 3HZ LYS 11 -6.678 -7.825 -8.234 114 H ILE 12 H ILE 12 -1.822 -5.452 -3.340 115 HA ILE 12 HA ILE 12 -0.033 -3.270 -3.735 116 HB ILE 12 HB ILE 12 -1.559 -4.324 -1.359 117 1HG1 ILE 12 2HG1 ILE 12 -2.781 -2.236 -1.592 118 2HG1 ILE 12 1HG1 ILE 12 -1.633 -1.650 -2.795 119 1HG2 ILE 12 1HG2 ILE 12 0.543 -2.159 -1.403 120 2HG2 ILE 12 2HG2 ILE 12 0.362 -3.488 -0.258 121 3HG2 ILE 12 3HG2 ILE 12 -0.772 -2.138 -0.228 122 1HD1 ILE 12 1HD1 ILE 12 -3.124 -4.229 -3.232 123 2HD1 ILE 12 2HD1 ILE 12 -2.382 -3.167 -4.429 124 3HD1 ILE 12 3HD1 ILE 12 -3.874 -2.682 -3.624 125 H ASP 13 H ASP 13 0.264 -6.294 -1.933 126 HA ASP 13 HA ASP 13 2.689 -5.755 -0.556 127 1HB ASP 13 2HB ASP 13 1.511 -8.330 -1.641 128 2HB ASP 13 1HB ASP 13 2.969 -8.291 -0.653 129 H GLU 14 H GLU 14 2.087 -6.996 -3.834 130 HA GLU 14 HA GLU 14 4.825 -7.463 -4.529 131 1HB GLU 14 2HB GLU 14 2.425 -6.744 -6.236 132 2HB GLU 14 1HB GLU 14 3.987 -7.219 -6.897 133 1HG GLU 14 2HG GLU 14 3.840 -9.387 -5.767 134 2HG GLU 14 1HG GLU 14 2.317 -8.913 -5.015 135 H ILE 15 H ILE 15 2.884 -4.578 -4.291 136 HA ILE 15 HA ILE 15 4.833 -2.923 -5.761 137 HB ILE 15 HB ILE 15 2.232 -2.371 -4.331 138 1HG1 ILE 15 2HG1 ILE 15 1.856 -1.267 -6.658 139 2HG1 ILE 15 1HG1 ILE 15 3.282 -2.180 -7.153 140 1HG2 ILE 15 1HG2 ILE 15 3.460 -0.484 -3.650 141 2HG2 ILE 15 2HG2 ILE 15 2.699 0.057 -5.146 142 3HG2 ILE 15 3HG2 ILE 15 4.391 -0.437 -5.146 143 1HD1 ILE 15 1HD1 ILE 15 0.768 -3.359 -5.924 144 2HD1 ILE 15 2HD1 ILE 15 2.199 -4.275 -6.396 145 3HD1 ILE 15 3HD1 ILE 15 1.227 -3.462 -7.623 146 H ASP 16 H ASP 16 3.857 -3.578 -2.428 147 HA ASP 16 HA ASP 16 5.308 -1.527 -1.119 148 1HB ASP 16 2HB ASP 16 4.577 -4.343 -0.267 149 2HB ASP 16 1HB ASP 16 5.333 -3.184 0.824 150 H ASN 17 H ASN 17 6.335 -4.883 -1.826 151 HA ASN 17 HA ASN 17 9.032 -4.543 -0.947 152 1HB ASN 17 2HB ASN 17 7.817 -6.425 -2.996 153 2HB ASN 17 1HB ASN 17 9.481 -6.532 -2.424 154 1HD2 ASN 17 1HD2 ASN 17 7.708 -8.688 -1.946 155 2HD2 ASN 17 2HD2 ASN 17 7.367 -8.768 -0.279 156 H LYS 18 H LYS 18 7.429 -3.904 -4.019 157 HA LYS 18 HA LYS 18 9.728 -3.549 -5.659 158 1HB LYS 18 2HB LYS 18 7.360 -3.686 -6.465 159 2HB LYS 18 1HB LYS 18 7.093 -2.059 -5.843 160 1HG LYS 18 2HG LYS 18 8.863 -1.194 -7.334 161 2HG LYS 18 1HG LYS 18 9.134 -2.822 -7.957 162 1HD LYS 18 2HD LYS 18 6.779 -2.904 -8.737 163 2HD LYS 18 1HD LYS 18 6.540 -1.257 -8.155 164 1HE LYS 18 2HE LYS 18 8.238 -0.424 -9.707 165 2HE LYS 18 1HE LYS 18 8.588 -2.068 -10.243 166 1HZ LYS 18 1HZ LYS 18 6.654 -0.336 -11.233 167 2HZ LYS 18 2HZ LYS 18 5.818 -1.580 -10.434 168 3HZ LYS 18 3HZ LYS 18 6.920 -1.952 -11.673 169 H ILE 19 H ILE 19 7.984 -1.199 -3.602 170 HA ILE 19 HA ILE 19 9.694 1.012 -4.396 171 HB ILE 19 HB ILE 19 7.458 1.472 -3.592 172 1HG1 ILE 19 2HG1 ILE 19 9.687 2.829 -2.825 173 2HG1 ILE 19 1HG1 ILE 19 8.048 3.358 -2.447 174 1HG2 ILE 19 1HG2 ILE 19 7.016 -0.370 -2.150 175 2HG2 ILE 19 2HG2 ILE 19 6.984 1.058 -1.115 176 3HG2 ILE 19 3HG2 ILE 19 8.400 0.004 -1.123 177 1HD1 ILE 19 1HD1 ILE 19 8.142 2.427 -0.258 178 2HD1 ILE 19 2HD1 ILE 19 9.682 3.257 -0.477 179 3HD1 ILE 19 3HD1 ILE 19 9.595 1.502 -0.632 180 H LEU 20 H LEU 20 9.854 -1.471 -1.930 181 HA LEU 20 HA LEU 20 11.868 -0.105 -0.320 182 1HB LEU 20 2HB LEU 20 10.956 -2.994 -0.462 183 2HB LEU 20 1HB LEU 20 12.196 -2.430 0.657 184 HG LEU 20 HG LEU 20 9.388 -1.288 0.521 185 1HD1 LEU 20 1HD1 LEU 20 9.087 -3.488 1.321 186 2HD1 LEU 20 2HD1 LEU 20 9.261 -2.534 2.794 187 3HD1 LEU 20 3HD1 LEU 20 10.622 -3.479 2.190 188 1HD2 LEU 20 1HD2 LEU 20 10.644 0.363 1.566 189 2HD2 LEU 20 2HD2 LEU 20 11.835 -0.783 2.180 190 3HD2 LEU 20 3HD2 LEU 20 10.257 -0.648 2.958 191 H LYS 21 H LYS 21 11.863 -1.940 -3.250 192 HA LYS 21 HA LYS 21 14.646 -2.816 -3.059 193 1HB LYS 21 2HB LYS 21 12.924 -4.029 -4.414 194 2HB LYS 21 1HB LYS 21 12.863 -2.649 -5.509 195 1HG LYS 21 2HG LYS 21 15.296 -2.927 -5.956 196 2HG LYS 21 1HG LYS 21 15.306 -4.349 -4.913 197 1HD LYS 21 2HD LYS 21 13.421 -4.132 -7.260 198 2HD LYS 21 1HD LYS 21 15.058 -4.760 -7.445 199 1HE LYS 21 2HE LYS 21 14.512 -6.378 -5.548 200 2HE LYS 21 1HE LYS 21 12.832 -5.871 -5.723 201 1HZ LYS 21 1HZ LYS 21 14.522 -7.390 -7.578 202 2HZ LYS 21 2HZ LYS 21 13.297 -6.401 -8.217 203 3HZ LYS 21 3HZ LYS 21 12.905 -7.649 -7.132 204 H ALA 22 H ALA 22 16.023 -1.046 -2.866 205 HA ALA 22 HA ALA 22 16.137 0.748 -5.230 206 1HB ALA 22 1HB ALA 22 16.424 2.725 -3.786 207 2HB ALA 22 2HB ALA 22 16.191 1.718 -2.356 208 3HB ALA 22 3HB ALA 22 14.865 1.955 -3.493 209 H ARG 23 H ARG 23 17.769 -1.539 -4.163 210 HA ARG 23 HA ARG 23 20.238 -0.412 -3.136 211 1HB ARG 23 2HB ARG 23 19.561 -3.108 -4.358 212 2HB ARG 23 1HB ARG 23 21.162 -2.703 -3.742 213 1HG ARG 23 2HG ARG 23 20.218 -2.260 -1.512 214 2HG ARG 23 1HG ARG 23 18.596 -2.589 -2.122 215 1HD ARG 23 2HD ARG 23 20.854 -4.623 -2.181 216 2HD ARG 23 1HD ARG 23 19.651 -4.543 -0.888 217 HE ARG 23 HE ARG 23 18.134 -4.691 -3.213 218 1HH1 ARG 23 1HH2 ARG 23 20.689 -6.516 -1.786 219 2HH1 ARG 23 2HH2 ARG 23 20.165 -8.022 -2.461 220 1HH2 ARG 23 1HH1 ARG 23 17.447 -6.668 -4.114 221 2HH2 ARG 23 2HH1 ARG 23 18.339 -8.112 -3.767 222 H TRP 24 H TRP 24 19.075 -1.346 -6.362 223 HA TRP 24 HA TRP 24 21.317 0.233 -7.524 224 1HB TRP 24 2HB TRP 24 20.858 -2.660 -7.814 225 2HB TRP 24 1HB TRP 24 21.020 -1.810 -9.349 226 HD1 TRP 24 HD TRP 24 23.322 -0.421 -9.744 227 HE1 TRP 24 1HE TRP 24 25.684 -0.782 -8.772 228 HE3 TRP 24 3HE TRP 24 22.201 -3.475 -5.810 229 HZ2 TRP 24 2HZ TRP 24 26.933 -2.184 -6.607 230 HZ3 TRP 24 3HZ TRP 24 23.988 -4.306 -4.311 231 HH2 TRP 24 HH TRP 24 26.351 -3.667 -4.703 232 HA PRO 25 HA PRO 25 17.864 -0.177 -10.891 233 1HB PRO 25 2HB PRO 25 15.588 -1.529 -10.162 234 2HB PRO 25 1HB PRO 25 16.974 -2.303 -10.960 235 1HG PRO 25 2HG PRO 25 16.299 -2.190 -8.046 236 2HG PRO 25 1HG PRO 25 16.788 -3.584 -9.028 237 1HD PRO 25 2HD PRO 25 18.584 -2.360 -7.470 238 2HD PRO 25 1HD PRO 25 19.046 -2.913 -9.094 239 H TRP 26 H TRP 26 16.206 1.369 -11.203 240 HA TRP 26 HA TRP 26 15.696 3.190 -9.048 241 1HB TRP 26 2HB TRP 26 15.617 3.632 -11.595 242 2HB TRP 26 1HB TRP 26 13.977 2.987 -11.521 243 HD1 TRP 26 HD TRP 26 12.123 4.556 -10.704 244 HE1 TRP 26 1HE TRP 26 12.059 6.944 -9.734 245 HE3 TRP 26 3HE TRP 26 17.116 5.359 -10.017 246 HZ2 TRP 26 2HZ TRP 26 13.889 8.934 -8.791 247 HZ3 TRP 26 3HZ TRP 26 17.930 7.505 -9.084 248 HH2 TRP 26 HH TRP 26 16.325 9.292 -8.469 249 H ALA 27 H ALA 27 13.942 3.349 -7.653 250 HA ALA 27 HA ALA 27 12.434 1.026 -7.041 251 1HB ALA 27 1HB ALA 27 11.729 3.916 -6.434 252 2HB ALA 27 2HB ALA 27 12.793 2.903 -5.458 253 3HB ALA 27 3HB ALA 27 11.084 2.497 -5.608 254 H GLU 28 H GLU 28 11.526 3.914 -8.919 255 HA GLU 28 HA GLU 28 9.640 4.305 -10.280 256 1HB GLU 28 2HB GLU 28 11.063 2.640 -11.577 257 2HB GLU 28 1HB GLU 28 9.996 1.376 -10.965 258 1HG GLU 28 2HG GLU 28 8.061 2.473 -11.989 259 2HG GLU 28 1HG GLU 28 9.083 3.797 -12.547 260 H LYS 29 H LYS 29 8.702 4.054 -7.813 261 HA LYS 29 HA LYS 29 6.990 1.853 -7.233 262 1HB LYS 29 2HB LYS 29 5.787 3.492 -5.741 263 2HB LYS 29 1HB LYS 29 7.532 3.454 -5.494 264 1HG LYS 29 2HG LYS 29 7.758 5.425 -7.005 265 2HG LYS 29 1HG LYS 29 6.000 5.493 -7.135 266 1HD LYS 29 2HD LYS 29 5.829 5.801 -4.690 267 2HD LYS 29 1HD LYS 29 7.586 5.735 -4.561 268 1HE LYS 29 2HE LYS 29 7.768 7.721 -6.018 269 2HE LYS 29 1HE LYS 29 6.011 7.798 -6.131 270 1HZ LYS 29 1HZ LYS 29 6.975 7.651 -3.432 271 2HZ LYS 29 2HZ LYS 29 5.861 8.728 -4.129 272 3HZ LYS 29 3HZ LYS 29 7.529 9.027 -4.254 273 H LEU 30 H LEU 30 4.948 1.336 -7.952 274 HA LEU 30 HA LEU 30 3.893 2.890 -10.211 275 1HB LEU 30 2HB LEU 30 2.748 0.405 -8.897 276 2HB LEU 30 1HB LEU 30 2.275 1.074 -10.457 277 HG LEU 30 HG LEU 30 5.043 0.029 -9.772 278 1HD1 LEU 30 1HD1 LEU 30 3.563 -1.844 -9.959 279 2HD1 LEU 30 2HD1 LEU 30 4.372 -1.712 -11.521 280 3HD1 LEU 30 3HD1 LEU 30 2.719 -1.126 -11.330 281 1HD2 LEU 30 1HD2 LEU 30 3.809 1.311 -12.209 282 2HD2 LEU 30 2HD2 LEU 30 5.157 0.186 -12.380 283 3HD2 LEU 30 3HD2 LEU 30 5.357 1.665 -11.440 284 H ILE 31 H ILE 31 3.170 4.837 -9.248 285 HA ILE 31 HA ILE 31 1.529 4.966 -6.901 286 HB ILE 31 HB ILE 31 1.791 6.869 -9.252 287 1HG1 ILE 31 2HG1 ILE 31 2.885 7.091 -6.434 288 2HG1 ILE 31 1HG1 ILE 31 3.806 6.398 -7.768 289 1HG2 ILE 31 1HG2 ILE 31 -0.310 7.377 -8.243 290 2HG2 ILE 31 2HG2 ILE 31 0.834 8.519 -7.538 291 3HG2 ILE 31 3HG2 ILE 31 0.321 7.104 -6.620 292 1HD1 ILE 31 1HD1 ILE 31 3.464 8.528 -9.043 293 2HD1 ILE 31 2HD1 ILE 31 4.395 8.750 -7.561 294 3HD1 ILE 31 3HD1 ILE 31 2.694 9.215 -7.612 295 H ALA 32 H ALA 32 0.721 4.822 -10.369 296 HA ALA 32 HA ALA 32 -2.101 5.087 -10.097 297 1HB ALA 32 1HB ALA 32 -1.016 5.242 -12.275 298 2HB ALA 32 2HB ALA 32 -2.187 3.924 -12.310 299 3HB ALA 32 3HB ALA 32 -0.466 3.569 -12.154 300 H GLU 33 H GLU 33 -0.156 2.085 -10.405 301 HA GLU 33 HA GLU 33 -2.244 0.233 -10.067 302 1HB GLU 33 2HB GLU 33 0.236 -0.218 -10.573 303 2HB GLU 33 1HB GLU 33 0.497 -0.125 -8.831 304 1HG GLU 33 2HG GLU 33 0.162 -2.447 -9.393 305 2HG GLU 33 1HG GLU 33 -1.287 -1.891 -8.555 306 H ARG 34 H ARG 34 -0.266 1.822 -7.546 307 HA ARG 34 HA ARG 34 -1.497 0.589 -5.298 308 1HB ARG 34 2HB ARG 34 0.506 1.902 -4.973 309 2HB ARG 34 1HB ARG 34 -0.260 3.336 -5.641 310 1HG ARG 34 2HG ARG 34 -0.189 3.507 -3.189 311 2HG ARG 34 1HG ARG 34 -1.859 3.346 -3.737 312 1HD ARG 34 2HD ARG 34 -2.072 1.264 -2.879 313 2HD ARG 34 1HD ARG 34 -0.422 0.824 -3.205 314 HE ARG 34 HE ARG 34 -0.275 2.673 -1.069 315 1HH1 ARG 34 1HH2 ARG 34 -2.018 -0.176 -1.857 316 2HH1 ARG 34 2HH2 ARG 34 -2.071 -0.758 -0.227 317 1HH2 ARG 34 1HH1 ARG 34 -0.321 1.936 1.093 318 2HH2 ARG 34 2HH1 ARG 34 -1.116 0.429 1.432 319 H ASN 35 H ASN 35 -2.319 3.634 -6.973 320 HA ASN 35 HA ASN 35 -4.635 4.153 -5.351 321 1HB ASN 35 2HB ASN 35 -3.614 5.968 -6.632 322 2HB ASN 35 1HB ASN 35 -3.900 5.094 -8.142 323 1HD2 ASN 35 1HD2 ASN 35 -5.003 7.627 -7.944 324 2HD2 ASN 35 2HD2 ASN 35 -6.691 7.524 -7.747 325 H SER 36 H SER 36 -4.159 2.510 -8.475 326 HA SER 36 HA SER 36 -6.746 2.103 -9.362 327 1HB SER 36 2HB SER 36 -5.992 0.024 -10.338 328 2HB SER 36 1HB SER 36 -4.639 1.149 -10.379 329 HG SER 36 HG SER 36 -3.643 0.026 -8.851 330 H LEU 37 H LEU 37 -5.300 -0.628 -7.620 331 HA LEU 37 HA LEU 37 -7.558 -1.893 -6.713 332 1HB LEU 37 2HB LEU 37 -4.974 -1.395 -5.229 333 2HB LEU 37 1HB LEU 37 -6.246 -2.413 -4.564 334 HG LEU 37 HG LEU 37 -4.643 -3.831 -5.682 335 1HD1 LEU 37 1HD1 LEU 37 -7.286 -3.969 -6.142 336 2HD1 LEU 37 2HD1 LEU 37 -6.142 -5.117 -6.839 337 3HD1 LEU 37 3HD1 LEU 37 -6.726 -3.759 -7.801 338 1HD2 LEU 37 1HD2 LEU 37 -3.818 -3.488 -7.855 339 2HD2 LEU 37 2HD2 LEU 37 -3.883 -1.855 -7.190 340 3HD2 LEU 37 3HD2 LEU 37 -5.146 -2.413 -8.286 341 H ALA 38 H ALA 38 -5.999 0.875 -5.088 342 HA ALA 38 HA ALA 38 -7.489 1.154 -2.793 343 1HB ALA 38 1HB ALA 38 -6.867 3.389 -2.753 344 2HB ALA 38 2HB ALA 38 -7.133 3.600 -4.485 345 3HB ALA 38 3HB ALA 38 -5.707 2.738 -3.910 346 H LYS 39 H LYS 39 -8.517 2.374 -5.993 347 HA LYS 39 HA LYS 39 -11.080 3.310 -5.111 348 1HB LYS 39 2HB LYS 39 -10.221 4.091 -7.217 349 2HB LYS 39 1HB LYS 39 -10.054 2.443 -7.821 350 1HG LYS 39 2HG LYS 39 -12.754 3.400 -6.936 351 2HG LYS 39 1HG LYS 39 -12.148 3.887 -8.518 352 1HD LYS 39 2HD LYS 39 -11.577 1.159 -8.379 353 2HD LYS 39 1HD LYS 39 -13.181 1.303 -7.659 354 1HE LYS 39 2HE LYS 39 -13.510 1.011 -10.020 355 2HE LYS 39 1HE LYS 39 -13.842 2.707 -9.668 356 1HZ LYS 39 1HZ LYS 39 -11.094 2.368 -10.192 357 2HZ LYS 39 2HZ LYS 39 -12.230 3.301 -11.043 358 3HZ LYS 39 3HZ LYS 39 -11.983 1.672 -11.455 359 H ASP 40 H ASP 40 -10.134 0.244 -6.698 360 HA ASP 40 HA ASP 40 -12.739 -0.910 -6.711 361 1HB ASP 40 2HB ASP 40 -9.963 -2.117 -6.666 362 2HB ASP 40 1HB ASP 40 -11.418 -3.109 -6.776 363 H VAL 41 H VAL 41 -10.171 -0.926 -4.256 364 HA VAL 41 HA VAL 41 -11.374 -2.778 -2.459 365 HB VAL 41 HB VAL 41 -9.562 -0.400 -1.966 366 1HG1 VAL 41 1HG1 VAL 41 -10.648 -2.505 -0.092 367 2HG1 VAL 41 2HG1 VAL 41 -10.628 -0.755 0.122 368 3HG1 VAL 41 3HG1 VAL 41 -9.126 -1.674 0.234 369 1HG2 VAL 41 1HG2 VAL 41 -7.879 -2.239 -1.626 370 2HG2 VAL 41 2HG2 VAL 41 -8.514 -2.164 -3.268 371 3HG2 VAL 41 3HG2 VAL 41 -9.103 -3.395 -2.151 372 H ALA 42 H ALA 42 -11.660 0.759 -2.717 373 HA ALA 42 HA ALA 42 -13.290 1.304 -0.520 374 1HB ALA 42 1HB ALA 42 -14.275 2.663 -2.905 375 2HB ALA 42 2HB ALA 42 -12.514 2.669 -2.835 376 3HB ALA 42 3HB ALA 42 -13.452 3.338 -1.499 377 H GLU 43 H GLU 43 -14.302 0.147 -3.736 378 HA GLU 43 HA GLU 43 -17.089 0.062 -3.328 379 1HB GLU 43 2HB GLU 43 -15.969 -0.431 -5.494 380 2HB GLU 43 1HB GLU 43 -15.390 -1.958 -4.830 381 1HG GLU 43 2HG GLU 43 -17.693 -2.725 -4.506 382 2HG GLU 43 1HG GLU 43 -18.307 -1.174 -5.077 383 H ILE 44 H ILE 44 -14.851 -2.712 -2.955 384 HA ILE 44 HA ILE 44 -16.604 -4.504 -1.721 385 HB ILE 44 HB ILE 44 -13.651 -4.037 -1.382 386 1HG1 ILE 44 2HG1 ILE 44 -13.443 -6.088 -2.633 387 2HG1 ILE 44 1HG1 ILE 44 -15.166 -6.421 -2.473 388 1HG2 ILE 44 1HG2 ILE 44 -14.054 -4.932 0.722 389 2HG2 ILE 44 2HG2 ILE 44 -13.827 -6.402 -0.226 390 3HG2 ILE 44 3HG2 ILE 44 -15.455 -5.852 0.175 391 1HD1 ILE 44 1HD1 ILE 44 -14.474 -5.488 -4.720 392 2HD1 ILE 44 2HD1 ILE 44 -14.071 -3.984 -3.894 393 3HD1 ILE 44 3HD1 ILE 44 -15.735 -4.567 -3.901 394 H LYS 45 H LYS 45 -14.828 -1.803 -0.263 395 HA LYS 45 HA LYS 45 -15.336 -2.435 2.474 396 1HB LYS 45 2HB LYS 45 -15.001 0.278 1.141 397 2HB LYS 45 1HB LYS 45 -14.952 -0.000 2.882 398 1HG LYS 45 2HG LYS 45 -13.149 -1.626 1.123 399 2HG LYS 45 1HG LYS 45 -12.709 0.047 1.467 400 1HD LYS 45 2HD LYS 45 -13.095 -0.514 3.939 401 2HD LYS 45 1HD LYS 45 -13.128 -2.206 3.444 402 1HE LYS 45 2HE LYS 45 -10.862 -1.550 4.170 403 2HE LYS 45 1HE LYS 45 -10.876 -1.962 2.455 404 1HZ LYS 45 1HZ LYS 45 -11.357 0.827 3.202 405 2HZ LYS 45 2HZ LYS 45 -10.572 0.191 1.837 406 3HZ LYS 45 3HZ LYS 45 -9.772 0.239 3.335 407 H ASN 46 H ASN 46 -17.176 -0.472 0.144 408 HA ASN 46 HA ASN 46 -19.277 0.294 1.927 409 1HB ASN 46 2HB ASN 46 -18.889 1.352 -0.277 410 2HB ASN 46 1HB ASN 46 -19.358 -0.150 -1.074 411 1HD2 ASN 46 1HD2 ASN 46 -21.380 0.301 -1.982 412 2HD2 ASN 46 2HD2 ASN 46 -22.693 0.957 -1.129 413 H GLN 47 H GLN 47 -18.768 -2.549 -0.115 414 HA GLN 47 HA GLN 47 -21.398 -3.670 0.434 415 1HB GLN 47 2HB GLN 47 -20.828 -5.131 -1.193 416 2HB GLN 47 1HB GLN 47 -19.344 -4.200 -1.387 417 1HG GLN 47 2HG GLN 47 -18.293 -5.614 0.398 418 2HG GLN 47 1HG GLN 47 -19.747 -6.610 0.401 419 1HE2 GLN 47 1HE2 GLN 47 -16.786 -7.020 -0.603 420 2HE2 GLN 47 2HE2 GLN 47 -17.005 -7.702 -2.143 421 H LEU 48 H LEU 48 -18.502 -3.408 2.195 422 HA LEU 48 HA LEU 48 -19.061 -5.810 3.851 423 1HB LEU 48 2HB LEU 48 -16.792 -3.798 3.819 424 2HB LEU 48 1HB LEU 48 -16.978 -4.988 5.106 425 HG LEU 48 HG LEU 48 -16.855 -5.744 2.175 426 1HD1 LEU 48 1HD1 LEU 48 -14.765 -4.601 2.892 427 2HD1 LEU 48 2HD1 LEU 48 -14.500 -6.314 2.571 428 3HD1 LEU 48 3HD1 LEU 48 -14.622 -5.737 4.233 429 1HD2 LEU 48 1HD2 LEU 48 -16.850 -7.205 4.808 430 2HD2 LEU 48 2HD2 LEU 48 -16.029 -7.914 3.418 431 3HD2 LEU 48 3HD2 LEU 48 -17.756 -7.568 3.339 432 H GLY 49 H GLY 49 -20.074 -2.659 3.653 433 1HA GLY 49 2HA GLY 49 -21.143 -1.204 5.142 434 2HA GLY 49 1HA GLY 49 -21.549 -2.657 6.050 435 H ILE 50 H ILE 50 -18.469 -0.882 5.447 436 HA ILE 50 HA ILE 50 -18.266 -0.402 8.362 437 HB ILE 50 HB ILE 50 -15.765 -1.206 8.107 438 1HG1 ILE 50 2HG1 ILE 50 -15.628 -3.222 6.651 439 2HG1 ILE 50 1HG1 ILE 50 -17.229 -2.848 6.014 440 1HG2 ILE 50 1HG2 ILE 50 -18.110 -3.107 8.388 441 2HG2 ILE 50 2HG2 ILE 50 -17.408 -2.132 9.679 442 3HG2 ILE 50 3HG2 ILE 50 -16.466 -3.427 8.941 443 1HD1 ILE 50 1HD1 ILE 50 -15.118 -0.721 5.936 444 2HD1 ILE 50 2HD1 ILE 50 -16.477 -0.984 4.844 445 3HD1 ILE 50 3HD1 ILE 50 -15.054 -2.021 4.747 446 HA PRO 51 HA PRO 51 -16.453 3.438 7.312 447 1HB PRO 51 2HB PRO 51 -14.212 2.732 9.174 448 2HB PRO 51 1HB PRO 51 -15.229 4.188 9.136 449 1HG PRO 51 2HG PRO 51 -15.675 2.374 10.967 450 2HG PRO 51 1HG PRO 51 -17.048 3.085 10.095 451 1HD PRO 51 2HD PRO 51 -15.754 0.396 9.679 452 2HD PRO 51 1HD PRO 51 -17.481 0.810 9.715 453 H ILE 52 H ILE 52 -15.055 4.269 5.793 454 HA ILE 52 HA ILE 52 -13.425 2.502 4.223 455 HB ILE 52 HB ILE 52 -13.334 5.535 4.341 456 1HG1 ILE 52 2HG1 ILE 52 -15.006 3.754 2.547 457 2HG1 ILE 52 1HG1 ILE 52 -15.630 4.550 3.991 458 1HG2 ILE 52 1HG2 ILE 52 -11.466 4.660 3.094 459 2HG2 ILE 52 2HG2 ILE 52 -12.658 5.217 1.920 460 3HG2 ILE 52 3HG2 ILE 52 -12.496 3.495 2.264 461 1HD1 ILE 52 1HD1 ILE 52 -15.203 6.730 3.074 462 2HD1 ILE 52 2HD1 ILE 52 -16.026 5.806 1.818 463 3HD1 ILE 52 3HD1 ILE 52 -14.282 6.049 1.733 464 H ASN 53 H ASN 53 -12.645 4.952 6.689 465 HA ASN 53 HA ASN 53 -9.801 4.623 6.464 466 1HB ASN 53 2HB ASN 53 -11.237 6.494 7.681 467 2HB ASN 53 1HB ASN 53 -11.071 5.411 9.066 468 1HD2 ASN 53 1HD2 ASN 53 -8.482 4.357 8.614 469 2HD2 ASN 53 2HD2 ASN 53 -7.336 5.612 8.708 470 H ASP 54 H ASP 54 -8.507 3.052 7.283 471 HA ASP 54 HA ASP 54 -9.477 1.401 9.536 472 1HB ASP 54 2HB ASP 54 -8.816 0.354 6.782 473 2HB ASP 54 1HB ASP 54 -8.806 -0.672 8.216 474 HA PRO 55 HA PRO 55 -4.967 2.652 9.720 475 1HB PRO 55 2HB PRO 55 -5.050 2.742 12.496 476 2HB PRO 55 1HB PRO 55 -5.366 4.136 11.444 477 1HG PRO 55 2HG PRO 55 -7.306 2.290 12.769 478 2HG PRO 55 1HG PRO 55 -7.361 4.054 12.602 479 1HD PRO 55 2HD PRO 55 -8.872 2.531 11.022 480 2HD PRO 55 1HD PRO 55 -8.047 3.959 10.357 481 H GLU 56 H GLU 56 -6.662 0.517 12.038 482 HA GLU 56 HA GLU 56 -4.845 -1.219 12.974 483 1HB GLU 56 2HB GLU 56 -7.333 -1.997 11.425 484 2HB GLU 56 1HB GLU 56 -6.399 -3.131 12.400 485 1HG GLU 56 2HG GLU 56 -6.779 -1.769 14.403 486 2HG GLU 56 1HG GLU 56 -7.647 -0.568 13.445 487 H ARG 57 H ARG 57 -6.167 -1.889 9.723 488 HA ARG 57 HA ARG 57 -4.162 -3.664 8.860 489 1HB ARG 57 2HB ARG 57 -6.373 -2.910 7.699 490 2HB ARG 57 1HB ARG 57 -5.385 -1.633 6.996 491 1HG ARG 57 2HG ARG 57 -4.671 -4.562 6.789 492 2HG ARG 57 1HG ARG 57 -5.597 -3.707 5.559 493 1HD ARG 57 2HD ARG 57 -3.641 -2.009 5.583 494 2HD ARG 57 1HD ARG 57 -2.748 -3.296 6.394 495 HE ARG 57 HE ARG 57 -3.389 -3.260 3.582 496 1HH1 ARG 57 1HH2 ARG 57 -3.121 -5.263 6.386 497 2HH1 ARG 57 2HH2 ARG 57 -2.851 -6.726 5.479 498 1HH2 ARG 57 1HH1 ARG 57 -2.975 -5.156 2.396 499 2HH2 ARG 57 2HH1 ARG 57 -2.779 -6.660 3.233 500 H GLU 58 H GLU 58 -4.280 -0.112 8.508 501 HA GLU 58 HA GLU 58 -1.815 0.187 7.122 502 1HB GLU 58 2HB GLU 58 -3.041 2.102 9.138 503 2HB GLU 58 1HB GLU 58 -1.882 2.515 7.873 504 1HG GLU 58 2HG GLU 58 -3.483 1.942 6.138 505 2HG GLU 58 1HG GLU 58 -4.623 1.331 7.338 506 H LYS 59 H LYS 59 -2.548 -0.084 10.587 507 HA LYS 59 HA LYS 59 0.062 0.531 11.583 508 1HB LYS 59 2HB LYS 59 -2.387 -0.773 12.604 509 2HB LYS 59 1HB LYS 59 -0.901 -1.355 13.352 510 1HG LYS 59 2HG LYS 59 -1.752 0.546 14.631 511 2HG LYS 59 1HG LYS 59 -0.256 1.015 13.823 512 1HD LYS 59 2HD LYS 59 -1.668 1.959 11.951 513 2HD LYS 59 1HD LYS 59 -3.083 1.673 12.963 514 1HE LYS 59 2HE LYS 59 -2.374 3.973 13.277 515 2HE LYS 59 1HE LYS 59 -2.016 3.074 14.751 516 1HZ LYS 59 1HZ LYS 59 0.099 3.044 12.788 517 2HZ LYS 59 2HZ LYS 59 0.173 3.315 14.464 518 3HZ LYS 59 3HZ LYS 59 -0.243 4.584 13.413 519 H TYR 60 H TYR 60 -1.445 -2.542 10.608 520 HA TYR 60 HA TYR 60 0.703 -4.287 11.207 521 1HB TYR 60 2HB TYR 60 -1.459 -5.180 10.593 522 2HB TYR 60 1HB TYR 60 -1.394 -4.389 9.021 523 HD1 TYR 60 1HD TYR 60 -0.159 -5.339 7.187 524 HD2 TYR 60 2HD TYR 60 0.076 -7.081 11.108 525 HE1 TYR 60 1HE TYR 60 1.004 -7.314 6.239 526 HE2 TYR 60 2HE TYR 60 1.233 -9.060 10.157 527 HH TYR 60 HH TYR 60 2.390 -9.119 6.883 528 H ILE 61 H ILE 61 0.111 -2.217 8.399 529 HA ILE 61 HA ILE 61 2.174 -3.223 6.701 530 HB ILE 61 HB ILE 61 1.003 -0.438 6.958 531 1HG1 ILE 61 2HG1 ILE 61 -0.614 -2.181 6.298 532 2HG1 ILE 61 1HG1 ILE 61 -0.276 -1.098 4.949 533 1HG2 ILE 61 1HG2 ILE 61 3.130 -0.192 5.887 534 2HG2 ILE 61 2HG2 ILE 61 1.925 -0.192 4.599 535 3HG2 ILE 61 3HG2 ILE 61 2.879 -1.641 4.915 536 1HD1 ILE 61 1HD1 ILE 61 0.464 -3.961 5.312 537 2HD1 ILE 61 2HD1 ILE 61 1.627 -2.933 4.473 538 3HD1 ILE 61 3HD1 ILE 61 -0.014 -3.101 3.849 539 H TYR 62 H TYR 62 2.204 -0.687 9.208 540 HA TYR 62 HA TYR 62 4.885 0.197 8.805 541 1HB TYR 62 2HB TYR 62 3.378 0.065 11.447 542 2HB TYR 62 1HB TYR 62 4.728 1.132 11.059 543 HD1 TYR 62 1HD TYR 62 3.744 1.624 8.115 544 HD2 TYR 62 2HD TYR 62 1.841 1.895 11.959 545 HE1 TYR 62 1HE TYR 62 2.138 3.286 7.208 546 HE2 TYR 62 2HE TYR 62 0.242 3.558 11.052 547 HH TYR 62 HH TYR 62 0.366 5.295 8.995 548 H ASP 63 H ASP 63 3.562 -2.306 10.974 549 HA ASP 63 HA ASP 63 6.109 -3.135 12.015 550 1HB ASP 63 2HB ASP 63 3.820 -3.617 13.020 551 2HB ASP 63 1HB ASP 63 3.612 -4.832 11.759 552 H ARG 64 H ARG 64 4.154 -4.141 9.240 553 HA ARG 64 HA ARG 64 5.778 -6.429 8.534 554 1HB ARG 64 2HB ARG 64 3.417 -6.107 7.752 555 2HB ARG 64 1HB ARG 64 3.962 -4.768 6.744 556 1HG ARG 64 2HG ARG 64 3.849 -6.755 5.354 557 2HG ARG 64 1HG ARG 64 5.546 -6.366 5.613 558 1HD ARG 64 2HD ARG 64 4.372 -8.171 7.633 559 2HD ARG 64 1HD ARG 64 4.492 -8.855 6.012 560 HE ARG 64 HE ARG 64 6.978 -7.596 6.691 561 1HH1 ARG 64 1HH2 ARG 64 4.989 -10.082 7.743 562 2HH1 ARG 64 2HH2 ARG 64 6.255 -11.012 8.453 563 1HH2 ARG 64 1HH1 ARG 64 8.733 -8.760 7.539 564 2HH2 ARG 64 2HH1 ARG 64 8.409 -10.263 8.349 565 H ILE 65 H ILE 65 5.617 -3.083 7.293 566 HA ILE 65 HA ILE 65 7.715 -3.368 5.374 567 HB ILE 65 HB ILE 65 6.748 -0.928 6.895 568 1HG1 ILE 65 2HG1 ILE 65 5.097 -2.064 5.382 569 2HG1 ILE 65 1HG1 ILE 65 5.505 -0.429 4.867 570 1HG2 ILE 65 1HG2 ILE 65 7.845 0.270 4.909 571 2HG2 ILE 65 2HG2 ILE 65 8.713 -1.238 4.626 572 3HG2 ILE 65 3HG2 ILE 65 8.928 -0.370 6.146 573 1HD1 ILE 65 1HD1 ILE 65 6.450 -3.045 3.692 574 2HD1 ILE 65 2HD1 ILE 65 7.282 -1.525 3.361 575 3HD1 ILE 65 3HD1 ILE 65 5.596 -1.729 2.886 576 H ARG 66 H ARG 66 7.785 -2.350 8.801 577 HA ARG 66 HA ARG 66 10.506 -1.607 8.966 578 1HB ARG 66 2HB ARG 66 8.614 -2.826 10.988 579 2HB ARG 66 1HB ARG 66 10.285 -2.473 11.405 580 1HG ARG 66 2HG ARG 66 9.983 -0.128 10.887 581 2HG ARG 66 1HG ARG 66 8.359 -0.427 10.275 582 1HD ARG 66 2HD ARG 66 8.235 0.435 12.563 583 2HD ARG 66 1HD ARG 66 7.652 -1.218 12.509 584 HE ARG 66 HE ARG 66 10.478 -1.143 13.135 585 1HH1 ARG 66 1HH2 ARG 66 7.463 -0.353 14.433 586 2HH1 ARG 66 2HH2 ARG 66 8.012 -0.389 16.091 587 1HH2 ARG 66 1HH1 ARG 66 11.264 -1.219 15.241 588 2HH2 ARG 66 2HH1 ARG 66 10.177 -0.863 16.546 589 H LYS 67 H LYS 67 9.020 -4.832 9.137 590 HA LYS 67 HA LYS 67 11.397 -6.261 9.875 591 1HB LYS 67 2HB LYS 67 8.943 -7.171 8.336 592 2HB LYS 67 1HB LYS 67 10.176 -8.256 8.976 593 1HG LYS 67 2HG LYS 67 8.785 -6.286 10.786 594 2HG LYS 67 1HG LYS 67 8.037 -7.838 10.407 595 1HD LYS 67 2HD LYS 67 10.132 -8.982 11.170 596 2HD LYS 67 1HD LYS 67 10.768 -7.412 11.661 597 1HE LYS 67 2HE LYS 67 8.095 -8.374 12.674 598 2HE LYS 67 1HE LYS 67 9.592 -8.869 13.464 599 1HZ LYS 67 1HZ LYS 67 8.958 -6.030 12.911 600 2HZ LYS 67 2HZ LYS 67 10.134 -6.657 13.964 601 3HZ LYS 67 3HZ LYS 67 8.485 -6.798 14.348 602 H LEU 68 H LEU 68 9.866 -5.895 6.642 603 HA LEU 68 HA LEU 68 12.106 -7.049 5.234 604 1HB LEU 68 2HB LEU 68 9.918 -5.170 4.288 605 2HB LEU 68 1HB LEU 68 11.067 -5.971 3.219 606 HG LEU 68 HG LEU 68 9.159 -7.412 5.089 607 1HD1 LEU 68 1HD1 LEU 68 7.814 -7.868 3.155 608 2HD1 LEU 68 2HD1 LEU 68 9.039 -7.208 2.071 609 3HD1 LEU 68 3HD1 LEU 68 8.131 -6.132 3.133 610 1HD2 LEU 68 1HD2 LEU 68 11.258 -8.271 3.110 611 2HD2 LEU 68 2HD2 LEU 68 9.844 -9.291 3.372 612 3HD2 LEU 68 3HD2 LEU 68 10.920 -8.914 4.717 613 H CYS 69 H CYS 69 11.164 -3.716 6.039 614 HA CYS 69 HA CYS 69 13.111 -2.322 4.546 615 1HB CYS 69 2HB CYS 69 11.250 -1.257 5.830 616 2HB CYS 69 1HB CYS 69 12.118 -1.612 7.324 617 HG CYS 69 HG CYS 69 14.106 -0.079 6.346 618 H LYS 70 H LYS 70 13.355 -3.465 7.928 619 HA LYS 70 HA LYS 70 16.079 -2.725 8.310 620 1HB LYS 70 2HB LYS 70 14.144 -4.534 9.629 621 2HB LYS 70 1HB LYS 70 15.839 -4.946 9.872 622 1HG LYS 70 2HG LYS 70 15.092 -3.428 11.649 623 2HG LYS 70 1HG LYS 70 16.276 -2.617 10.624 624 1HD LYS 70 2HD LYS 70 14.473 -1.501 9.387 625 2HD LYS 70 1HD LYS 70 13.267 -2.334 10.369 626 1HE LYS 70 2HE LYS 70 13.574 -0.111 11.289 627 2HE LYS 70 1HE LYS 70 14.296 -1.268 12.407 628 1HZ LYS 70 1HZ LYS 70 16.431 -0.833 11.108 629 2HZ LYS 70 2HZ LYS 70 15.899 0.374 12.180 630 3HZ LYS 70 3HZ LYS 70 15.644 0.545 10.508 631 H GLU 71 H GLU 71 14.596 -5.626 6.930 632 HA GLU 71 HA GLU 71 16.989 -7.202 6.779 633 1HB GLU 71 2HB GLU 71 14.403 -7.261 5.216 634 2HB GLU 71 1HB GLU 71 15.702 -8.422 4.944 635 1HG GLU 71 2HG GLU 71 14.438 -7.925 7.649 636 2HG GLU 71 1HG GLU 71 13.936 -9.212 6.554 637 H HIS 72 H HIS 72 15.466 -4.973 4.445 638 HA HIS 72 HA HIS 72 17.519 -5.507 2.432 639 1HB HIS 72 2HB HIS 72 15.497 -3.254 2.507 640 2HB HIS 72 1HB HIS 72 16.366 -3.857 1.096 641 HD1 HIS 72 1HD HIS 72 15.965 -6.693 0.879 642 HD2 HIS 72 2HD HIS 72 12.966 -4.345 2.582 643 HE1 HIS 72 1HE HIS 72 13.824 -8.041 0.726 644 HE2 HIS 72 2HE HIS 72 11.993 -6.620 1.758 645 H ASN 73 H ASN 73 17.688 -3.916 5.278 646 HA ASN 73 HA ASN 73 18.940 -2.081 6.086 647 1HB ASN 73 2HB ASN 73 20.617 -3.877 5.391 648 2HB ASN 73 1HB ASN 73 20.867 -2.928 3.919 649 1HD2 ASN 73 1HD2 ASN 73 23.127 -2.498 4.696 650 2HD2 ASN 73 2HD2 ASN 73 23.399 -1.318 5.894 651 H VAL 74 H VAL 74 17.150 -1.556 3.668 652 HA VAL 74 HA VAL 74 18.527 0.345 1.997 653 HB VAL 74 HB VAL 74 16.166 1.114 1.459 654 1HG1 VAL 74 1HG1 VAL 74 16.955 -0.489 -0.036 655 2HG1 VAL 74 2HG1 VAL 74 15.533 -1.300 0.620 656 3HG1 VAL 74 3HG1 VAL 74 17.141 -1.715 1.217 657 1HG2 VAL 74 1HG2 VAL 74 15.540 -1.095 3.439 658 2HG2 VAL 74 2HG2 VAL 74 14.356 -0.384 2.342 659 3HG2 VAL 74 3HG2 VAL 74 15.108 0.607 3.593 660 H ASP 75 H ASP 75 16.486 0.688 4.904 661 HA ASP 75 HA ASP 75 17.917 2.985 5.838 662 1HB ASP 75 2HB ASP 75 16.094 4.679 5.517 663 2HB ASP 75 1HB ASP 75 16.864 4.178 4.011 664 H GLU 76 H GLU 76 15.696 4.273 7.157 665 HA GLU 76 HA GLU 76 14.479 2.067 8.745 666 1HB GLU 76 2HB GLU 76 16.567 2.803 9.898 667 2HB GLU 76 1HB GLU 76 15.918 4.441 9.971 668 1HG GLU 76 2HG GLU 76 14.018 3.663 11.306 669 2HG GLU 76 1HG GLU 76 14.589 1.998 11.180 670 H ASN 77 H ASN 77 14.478 5.323 9.927 671 HA ASN 77 HA ASN 77 11.651 5.518 10.022 672 1HB ASN 77 2HB ASN 77 12.090 8.000 10.337 673 2HB ASN 77 1HB ASN 77 12.938 6.932 11.454 674 1HD2 ASN 77 1HD2 ASN 77 13.390 9.481 9.229 675 2HD2 ASN 77 2HD2 ASN 77 15.076 9.358 9.065 676 H ILE 78 H ILE 78 13.922 6.809 7.580 677 HA ILE 78 HA ILE 78 12.081 8.307 6.062 678 HB ILE 78 HB ILE 78 14.246 6.590 4.831 679 1HG1 ILE 78 2HG1 ILE 78 15.356 9.078 5.314 680 2HG1 ILE 78 1HG1 ILE 78 14.437 8.775 6.789 681 1HG2 ILE 78 1HG2 ILE 78 13.322 9.388 4.137 682 2HG2 ILE 78 2HG2 ILE 78 12.617 7.944 3.411 683 3HG2 ILE 78 3HG2 ILE 78 14.324 8.308 3.167 684 1HD1 ILE 78 1HD1 ILE 78 16.618 7.834 7.136 685 2HD1 ILE 78 2HD1 ILE 78 16.587 7.027 5.568 686 3HD1 ILE 78 3HD1 ILE 78 15.522 6.480 6.864 687 H GLY 79 H GLY 79 12.737 4.815 5.955 688 1HA GLY 79 2HA GLY 79 11.125 4.202 3.696 689 2HA GLY 79 1HA GLY 79 11.510 3.067 4.989 690 H ILE 80 H ILE 80 10.257 4.109 7.172 691 HA ILE 80 HA ILE 80 7.531 3.358 6.748 692 HB ILE 80 HB ILE 80 8.980 4.726 9.006 693 1HG1 ILE 80 2HG1 ILE 80 8.440 2.621 10.162 694 2HG1 ILE 80 1HG1 ILE 80 7.539 2.066 8.749 695 1HG2 ILE 80 1HG2 ILE 80 6.854 5.722 9.222 696 2HG2 ILE 80 2HG2 ILE 80 6.746 4.296 10.254 697 3HG2 ILE 80 3HG2 ILE 80 6.020 4.279 8.646 698 1HD1 ILE 80 1HD1 ILE 80 9.496 1.881 7.430 699 2HD1 ILE 80 2HD1 ILE 80 9.979 1.243 9.001 700 3HD1 ILE 80 3HD1 ILE 80 10.438 2.881 8.536 701 H LYS 81 H LYS 81 9.049 6.568 7.065 702 HA LYS 81 HA LYS 81 6.685 8.134 7.053 703 1HB LYS 81 2HB LYS 81 9.437 8.710 5.939 704 2HB LYS 81 1HB LYS 81 8.157 9.918 6.032 705 1HG LYS 81 2HG LYS 81 8.021 9.557 8.486 706 2HG LYS 81 1HG LYS 81 9.333 8.386 8.369 707 1HD LYS 81 2HD LYS 81 10.840 10.117 7.510 708 2HD LYS 81 1HD LYS 81 9.535 11.302 7.561 709 1HE LYS 81 2HE LYS 81 9.361 11.010 10.009 710 2HE LYS 81 1HE LYS 81 10.664 9.822 9.958 711 1HZ LYS 81 1HZ LYS 81 10.962 12.516 10.265 712 2HZ LYS 81 2HZ LYS 81 11.363 12.258 8.635 713 3HZ LYS 81 3HZ LYS 81 12.189 11.417 9.858 714 H ILE 82 H ILE 82 8.537 6.795 4.321 715 HA ILE 82 HA ILE 82 7.087 8.129 2.244 716 HB ILE 82 HB ILE 82 8.583 5.502 2.290 717 1HG1 ILE 82 2HG1 ILE 82 9.347 8.168 1.073 718 2HG1 ILE 82 1HG1 ILE 82 9.805 7.698 2.711 719 1HG2 ILE 82 1HG2 ILE 82 8.608 5.895 -0.247 720 2HG2 ILE 82 2HG2 ILE 82 7.295 7.039 0.025 721 3HG2 ILE 82 3HG2 ILE 82 7.084 5.340 0.442 722 1HD1 ILE 82 1HD1 ILE 82 10.497 6.180 0.176 723 2HD1 ILE 82 2HD1 ILE 82 10.936 5.689 1.811 724 3HD1 ILE 82 3HD1 ILE 82 11.611 7.166 1.125 725 H PHE 83 H PHE 83 6.607 4.904 3.717 726 HA PHE 83 HA PHE 83 4.400 4.140 2.075 727 1HB PHE 83 2HB PHE 83 5.453 3.308 4.754 728 2HB PHE 83 1HB PHE 83 3.852 2.749 4.268 729 HD1 PHE 83 1HD PHE 83 3.584 1.472 2.110 730 HD2 PHE 83 2HD PHE 83 7.435 2.398 3.777 731 HE1 PHE 83 1HE PHE 83 4.624 -0.253 0.663 732 HE2 PHE 83 2HE PHE 83 8.473 0.670 2.331 733 HZ PHE 83 HZ PHE 83 7.068 -0.656 0.775 734 H GLN 84 H GLN 84 4.472 5.729 5.273 735 HA GLN 84 HA GLN 84 1.725 5.940 5.770 736 1HB GLN 84 2HB GLN 84 3.839 6.795 7.100 737 2HB GLN 84 1HB GLN 84 3.510 8.307 6.256 738 1HG GLN 84 2HG GLN 84 1.523 6.775 7.965 739 2HG GLN 84 1HG GLN 84 2.373 8.244 8.453 740 1HE2 GLN 84 1HE2 GLN 84 -0.602 7.347 7.448 741 2HE2 GLN 84 2HE2 GLN 84 -1.050 8.715 6.538 742 H ARG 85 H ARG 85 3.741 7.832 3.570 743 HA ARG 85 HA ARG 85 1.779 9.832 2.939 744 1HB ARG 85 2HB ARG 85 4.161 8.767 1.389 745 2HB ARG 85 1HB ARG 85 3.180 10.119 0.833 746 1HG ARG 85 2HG ARG 85 3.727 11.378 2.884 747 2HG ARG 85 1HG ARG 85 4.675 10.014 3.484 748 1HD ARG 85 2HD ARG 85 6.181 10.241 1.506 749 2HD ARG 85 1HD ARG 85 5.216 11.578 0.937 750 HE ARG 85 HE ARG 85 7.279 11.676 2.978 751 1HH1 ARG 85 1HH2 ARG 85 4.155 12.853 2.079 752 2HH1 ARG 85 2HH2 ARG 85 4.337 14.376 2.891 753 1HH2 ARG 85 1HH1 ARG 85 7.484 13.666 4.145 754 2HH2 ARG 85 2HH1 ARG 85 6.204 14.829 4.046 755 H LEU 86 H LEU 86 2.549 6.657 1.530 756 HA LEU 86 HA LEU 86 0.638 6.823 -0.628 757 1HB LEU 86 2HB LEU 86 2.183 4.619 0.697 758 2HB LEU 86 1HB LEU 86 0.862 4.199 -0.389 759 HG LEU 86 HG LEU 86 1.909 5.636 -2.144 760 1HD1 LEU 86 1HD1 LEU 86 4.293 6.298 -1.780 761 2HD1 LEU 86 2HD1 LEU 86 4.135 5.812 -0.092 762 3HD1 LEU 86 3HD1 LEU 86 3.172 7.149 -0.718 763 1HD2 LEU 86 1HD2 LEU 86 3.744 4.075 -2.661 764 2HD2 LEU 86 2HD2 LEU 86 2.330 3.201 -2.072 765 3HD2 LEU 86 3HD2 LEU 86 3.707 3.472 -1.003 766 H ILE 87 H ILE 87 0.421 5.924 2.755 767 HA ILE 87 HA ILE 87 -2.087 4.513 2.606 768 HB ILE 87 HB ILE 87 -0.796 6.032 4.892 769 1HG1 ILE 87 2HG1 ILE 87 0.532 4.132 4.051 770 2HG1 ILE 87 1HG1 ILE 87 -0.135 3.768 5.642 771 1HG2 ILE 87 1HG2 ILE 87 -3.129 5.832 5.395 772 2HG2 ILE 87 2HG2 ILE 87 -2.316 4.543 6.282 773 3HG2 ILE 87 3HG2 ILE 87 -3.184 4.176 4.791 774 1HD1 ILE 87 1HD1 ILE 87 -0.719 1.824 4.544 775 2HD1 ILE 87 2HD1 ILE 87 -0.853 2.623 2.978 776 3HD1 ILE 87 3HD1 ILE 87 -2.142 2.798 4.169 777 H GLU 88 H GLU 88 -1.257 7.927 3.184 778 HA GLU 88 HA GLU 88 -3.921 8.827 3.731 779 1HB GLU 88 2HB GLU 88 -1.541 10.283 2.539 780 2HB GLU 88 1HB GLU 88 -3.015 11.075 3.094 781 1HG GLU 88 2HG GLU 88 -1.221 9.352 4.835 782 2HG GLU 88 1HG GLU 88 -1.213 11.117 4.814 783 H HIS 89 H HIS 89 -2.011 8.986 0.707 784 HA HIS 89 HA HIS 89 -4.085 9.995 -0.939 785 1HB HIS 89 2HB HIS 89 -2.597 9.699 -2.654 786 2HB HIS 89 1HB HIS 89 -1.471 9.438 -1.326 787 HD1 HIS 89 1HD HIS 89 -2.460 6.554 -0.546 788 HD2 HIS 89 2HD HIS 89 -1.516 7.795 -4.415 789 HE1 HIS 89 1HE HIS 89 -1.827 4.466 -1.835 790 HE2 HIS 89 2HE HIS 89 -1.250 5.210 -4.190 791 H ASN 90 H ASN 90 -3.585 6.838 0.386 792 HA ASN 90 HA ASN 90 -5.261 5.381 -1.488 793 1HB ASN 90 2HB ASN 90 -3.482 4.512 0.253 794 2HB ASN 90 1HB ASN 90 -4.840 4.547 1.376 795 1HD2 ASN 90 1HD2 ASN 90 -6.841 3.278 0.646 796 2HD2 ASN 90 2HD2 ASN 90 -6.602 1.889 -0.301 797 H LYS 91 H LYS 91 -5.757 6.721 1.792 798 HA LYS 91 HA LYS 91 -8.619 6.124 1.765 799 1HB LYS 91 2HB LYS 91 -6.893 7.814 3.610 800 2HB LYS 91 1HB LYS 91 -8.609 7.507 3.876 801 1HG LYS 91 2HG LYS 91 -8.065 5.025 3.796 802 2HG LYS 91 1HG LYS 91 -6.361 5.477 3.832 803 1HD LYS 91 2HD LYS 91 -8.364 6.397 5.913 804 2HD LYS 91 1HD LYS 91 -7.363 4.958 6.104 805 1HE LYS 91 2HE LYS 91 -5.354 6.489 5.643 806 2HE LYS 91 1HE LYS 91 -6.464 7.837 5.886 807 1HZ LYS 91 1HZ LYS 91 -6.283 5.669 7.877 808 2HZ LYS 91 2HZ LYS 91 -6.808 7.272 8.085 809 3HZ LYS 91 3HZ LYS 91 -5.155 6.936 7.887 810 H ALA 92 H ALA 92 -6.619 8.562 0.511 811 HA ALA 92 HA ALA 92 -8.430 10.808 0.693 812 1HB ALA 92 1HB ALA 92 -6.300 10.453 -1.416 813 2HB ALA 92 2HB ALA 92 -5.907 10.850 0.257 814 3HB ALA 92 3HB ALA 92 -6.900 11.949 -0.699 815 H LEU 93 H LEU 93 -7.477 8.854 -2.176 816 HA LEU 93 HA LEU 93 -9.747 9.922 -3.661 817 1HB LEU 93 2HB LEU 93 -8.700 9.124 -5.512 818 2HB LEU 93 1HB LEU 93 -7.322 9.028 -4.428 819 HG LEU 93 HG LEU 93 -7.416 6.943 -5.557 820 1HD1 LEU 93 1HD1 LEU 93 -7.791 7.106 -2.772 821 2HD1 LEU 93 2HD1 LEU 93 -7.078 5.775 -3.686 822 3HD1 LEU 93 3HD1 LEU 93 -8.803 5.770 -3.322 823 1HD2 LEU 93 1HD2 LEU 93 -9.310 6.072 -6.385 824 2HD2 LEU 93 2HD2 LEU 93 -10.158 7.479 -5.745 825 3HD2 LEU 93 3HD2 LEU 93 -10.048 6.002 -4.785 826 H GLN 94 H GLN 94 -9.315 7.285 -1.536 827 HA GLN 94 HA GLN 94 -11.330 5.511 -2.605 828 1HB GLN 94 2HB GLN 94 -9.870 5.858 -0.034 829 2HB GLN 94 1HB GLN 94 -11.417 5.016 0.054 830 1HG GLN 94 2HG GLN 94 -10.643 3.523 -1.814 831 2HG GLN 94 1HG GLN 94 -9.050 4.275 -1.694 832 1HE2 GLN 94 1HE2 GLN 94 -8.217 4.308 0.754 833 2HE2 GLN 94 2HE2 GLN 94 -8.418 2.836 1.592 834 H LYS 95 H LYS 95 -11.393 8.043 -0.085 835 HA LYS 95 HA LYS 95 -14.211 7.830 0.444 836 1HB LYS 95 2HB LYS 95 -12.265 10.120 0.889 837 2HB LYS 95 1HB LYS 95 -13.910 10.082 1.519 838 1HG LYS 95 2HG LYS 95 -13.379 8.012 2.770 839 2HG LYS 95 1HG LYS 95 -11.725 8.074 2.158 840 1HD LYS 95 2HD LYS 95 -11.400 10.271 3.234 841 2HD LYS 95 1HD LYS 95 -13.057 10.226 3.835 842 1HE LYS 95 2HE LYS 95 -12.539 8.195 5.134 843 2HE LYS 95 1HE LYS 95 -10.882 8.224 4.527 844 1HZ LYS 95 1HZ LYS 95 -11.364 9.276 6.795 845 2HZ LYS 95 2HZ LYS 95 -12.032 10.566 5.913 846 3HZ LYS 95 3HZ LYS 95 -10.399 10.146 5.704 847 H GLN 96 H GLN 96 -12.310 9.997 -1.661 848 HA GLN 96 HA GLN 96 -14.565 11.549 -2.541 849 1HB GLN 96 2HB GLN 96 -13.045 12.665 -3.852 850 2HB GLN 96 1HB GLN 96 -11.893 11.844 -2.801 851 1HG GLN 96 2HG GLN 96 -11.865 9.941 -4.474 852 2HG GLN 96 1HG GLN 96 -12.807 10.970 -5.552 853 1HE2 GLN 96 1HE2 GLN 96 -11.173 11.362 -7.143 854 2HE2 GLN 96 2HE2 GLN 96 -9.725 12.178 -6.798 855 H TYR 97 H TYR 97 -13.098 8.551 -3.655 856 HA TYR 97 HA TYR 97 -14.496 8.388 -6.170 857 1HB TYR 97 2HB TYR 97 -12.549 7.020 -5.872 858 2HB TYR 97 1HB TYR 97 -13.191 6.320 -4.386 859 HD1 TYR 97 1HD TYR 97 -14.557 4.382 -4.443 860 HD2 TYR 97 2HD TYR 97 -13.782 6.560 -8.063 861 HE1 TYR 97 1HE TYR 97 -15.649 2.584 -5.758 862 HE2 TYR 97 2HE TYR 97 -14.872 4.762 -9.378 863 HH TYR 97 HH TYR 97 -15.771 1.723 -7.945 864 H LEU 98 H LEU 98 -15.101 6.798 -3.014 865 HA LEU 98 HA LEU 98 -17.517 5.501 -3.782 866 1HB LEU 98 2HB LEU 98 -16.546 6.476 -1.085 867 2HB LEU 98 1HB LEU 98 -18.019 5.532 -1.289 868 HG LEU 98 HG LEU 98 -15.271 4.622 -2.204 869 1HD1 LEU 98 1HD1 LEU 98 -15.113 4.585 0.140 870 2HD1 LEU 98 2HD1 LEU 98 -15.720 2.969 -0.223 871 3HD1 LEU 98 3HD1 LEU 98 -16.827 4.220 0.342 872 1HD2 LEU 98 1HD2 LEU 98 -16.773 3.370 -3.474 873 2HD2 LEU 98 2HD2 LEU 98 -18.039 3.458 -2.249 874 3HD2 LEU 98 3HD2 LEU 98 -16.667 2.374 -2.023 875 H GLU 99 H GLU 99 -16.938 8.729 -2.401 876 HA GLU 99 HA GLU 99 -19.686 9.473 -2.080 877 1HB GLU 99 2HB GLU 99 -17.179 11.109 -2.528 878 2HB GLU 99 1HB GLU 99 -18.759 11.836 -2.234 879 1HG GLU 99 2HG GLU 99 -18.932 10.684 -0.083 880 2HG GLU 99 1HG GLU 99 -17.405 9.852 -0.383 881 H GLU 100 H GLU 100 -17.451 9.769 -4.821 882 HA GLU 100 HA GLU 100 -19.314 11.272 -6.449 883 1HB GLU 100 2HB GLU 100 -17.602 11.408 -7.936 884 2HB GLU 100 1HB GLU 100 -16.647 10.815 -6.581 885 1HG GLU 100 2HG GLU 100 -16.048 9.347 -8.305 886 2HG GLU 100 1HG GLU 100 -17.306 8.444 -7.461 887 H THR 101 H THR 101 -19.026 7.934 -5.673 888 HA THR 101 HA THR 101 -20.405 7.018 -8.111 889 HB THR 101 HB THR 101 -20.513 4.838 -6.731 890 HG1 THR 101 1HG THR 101 -18.992 6.562 -5.102 891 1HG2 THR 101 1HG2 THR 101 -18.896 5.040 -8.480 892 2HG2 THR 101 2HG2 THR 101 -18.012 4.483 -7.060 893 3HG2 THR 101 3HG2 THR 101 -17.925 6.177 -7.545 894 H LEU 102 H LEU 102 -21.185 7.943 -4.819 895 HA LEU 102 HA LEU 102 -23.888 6.846 -4.874 896 1HB LEU 102 2HB LEU 102 -22.628 8.940 -3.068 897 2HB LEU 102 1HB LEU 102 -24.209 8.204 -2.809 898 HG LEU 102 HG LEU 102 -21.616 6.643 -2.987 899 1HD1 LEU 102 1HD1 LEU 102 -23.220 7.637 -0.621 900 2HD1 LEU 102 2HD1 LEU 102 -21.516 7.934 -0.967 901 3HD1 LEU 102 3HD1 LEU 102 -22.054 6.321 -0.498 902 1HD2 LEU 102 1HD2 LEU 102 -23.291 5.114 -3.516 903 2HD2 LEU 102 2HD2 LEU 102 -24.508 5.962 -2.561 904 3HD2 LEU 102 3HD2 LEU 102 -23.279 4.986 -1.757 905 H GLU 103 H GLU 103 -22.353 9.831 -5.845 906 HA GLU 103 HA GLU 103 -24.852 11.345 -6.083 907 1HB GLU 103 2HB GLU 103 -22.038 11.843 -7.103 908 2HB GLU 103 1HB GLU 103 -23.366 12.988 -7.276 909 1HG GLU 103 2HG GLU 103 -23.598 13.131 -4.844 910 2HG GLU 103 1HG GLU 103 -22.329 11.922 -4.632 911 H HIS 104 H HIS 104 -23.205 9.024 -7.908 912 HA HIS 104 HA HIS 104 -24.996 9.487 -10.236 913 1HB HIS 104 2HB HIS 104 -21.970 9.152 -10.440 914 2HB HIS 104 1HB HIS 104 -23.078 9.117 -11.811 915 HD1 HIS 104 1HD HIS 104 -20.789 11.362 -10.604 916 HD2 HIS 104 2HD HIS 104 -24.892 11.760 -11.252 917 HE1 HIS 104 1HE HIS 104 -21.261 13.850 -10.714 918 HE2 HIS 104 2HE HIS 104 -23.753 14.104 -11.107 919 H2 TSA 501 1H2 TSA 501 -4.018 -0.486 4.444 920 H3 TSA 501 1H3 TSA 501 -6.175 -0.580 5.674 921 H4 TSA 501 4H TSA 501 -8.153 0.566 4.730 922 HO5 TSA 501 HO5 TSA 501 -7.037 1.687 6.364 923 H5 TSA 501 5H TSA 501 -7.716 2.616 3.167 924 1H6 TSA 501 1H6 TSA 501 -5.600 2.498 1.823 925 2H6 TSA 501 2H6 TSA 501 -5.170 2.641 3.469 926 H8 TSA 501 8H TSA 501 -7.495 -0.508 0.643 927 1H9 TSA 501 1H9 TSA 501 -5.115 -1.162 1.490 928 2H9 TSA 501 2H9 TSA 501 -5.274 0.201 0.551 Start of MODEL 4 1 1H MET 1 1HT MET 1 -12.908 -9.041 5.518 2 2H MET 1 2HT MET 1 -11.674 -10.205 5.417 3 3H MET 1 3HT MET 1 -12.111 -9.554 6.924 4 HA MET 1 HA MET 1 -13.035 -11.747 6.737 5 1HB MET 1 2HB MET 1 -15.095 -9.543 6.371 6 2HB MET 1 1HB MET 1 -15.443 -11.156 6.995 7 1HG MET 1 2HG MET 1 -13.476 -9.213 8.252 8 2HG MET 1 1HG MET 1 -15.125 -9.472 8.818 9 1HE MET 1 1HE MET 1 -15.372 -12.791 10.278 10 2HE MET 1 2HE MET 1 -15.376 -12.922 8.521 11 3HE MET 1 3HE MET 1 -16.116 -11.523 9.294 12 H ILE 2 H ILE 2 -12.494 -10.382 3.883 13 HA ILE 2 HA ILE 2 -14.218 -12.352 2.449 14 HB ILE 2 HB ILE 2 -15.269 -10.132 2.211 15 1HG1 ILE 2 2HG1 ILE 2 -15.268 -10.032 -0.260 16 2HG1 ILE 2 1HG1 ILE 2 -13.818 -11.035 -0.297 17 1HG2 ILE 2 1HG2 ILE 2 -12.967 -8.970 2.521 18 2HG2 ILE 2 2HG2 ILE 2 -14.123 -8.236 1.409 19 3HG2 ILE 2 3HG2 ILE 2 -12.784 -9.199 0.782 20 1HD1 ILE 2 1HD1 ILE 2 -14.955 -12.949 0.343 21 2HD1 ILE 2 2HD1 ILE 2 -16.230 -12.122 -0.550 22 3HD1 ILE 2 3HD1 ILE 2 -16.195 -12.046 1.212 23 H GLU 3 H GLU 3 -13.175 -13.350 0.709 24 HA GLU 3 HA GLU 3 -10.299 -13.361 0.719 25 1HB GLU 3 2HB GLU 3 -12.313 -14.458 -1.265 26 2HB GLU 3 1HB GLU 3 -10.578 -14.756 -1.365 27 1HG GLU 3 2HG GLU 3 -10.599 -15.805 0.848 28 2HG GLU 3 1HG GLU 3 -12.321 -15.461 1.014 29 H LYS 4 H LYS 4 -12.704 -11.832 -1.391 30 HA LYS 4 HA LYS 4 -11.077 -10.959 -3.498 31 1HB LYS 4 2HB LYS 4 -13.401 -9.561 -2.133 32 2HB LYS 4 1HB LYS 4 -12.683 -9.007 -3.648 33 1HG LYS 4 2HG LYS 4 -13.158 -11.245 -4.651 34 2HG LYS 4 1HG LYS 4 -13.974 -11.710 -3.157 35 1HD LYS 4 2HD LYS 4 -14.769 -9.236 -4.704 36 2HD LYS 4 1HD LYS 4 -15.467 -10.816 -5.050 37 1HE LYS 4 2HE LYS 4 -16.033 -10.955 -2.557 38 2HE LYS 4 1HE LYS 4 -15.633 -9.239 -2.476 39 1HZ LYS 4 1HZ LYS 4 -17.629 -10.407 -4.339 40 2HZ LYS 4 2HZ LYS 4 -17.307 -8.756 -4.093 41 3HZ LYS 4 3HZ LYS 4 -18.017 -9.680 -2.856 42 H LEU 5 H LEU 5 -11.610 -9.365 -0.353 43 HA LEU 5 HA LEU 5 -9.894 -7.110 -0.856 44 1HB LEU 5 2HB LEU 5 -11.573 -7.087 0.921 45 2HB LEU 5 1HB LEU 5 -10.770 -8.431 1.728 46 HG LEU 5 HG LEU 5 -9.020 -6.112 1.192 47 1HD1 LEU 5 1HD1 LEU 5 -9.984 -4.822 3.105 48 2HD1 LEU 5 2HD1 LEU 5 -11.346 -5.942 3.136 49 3HD1 LEU 5 3HD1 LEU 5 -11.086 -4.909 1.731 50 1HD2 LEU 5 1HD2 LEU 5 -8.595 -8.242 2.606 51 2HD2 LEU 5 2HD2 LEU 5 -9.636 -7.490 3.814 52 3HD2 LEU 5 3HD2 LEU 5 -8.141 -6.695 3.320 53 H ALA 6 H ALA 6 -9.353 -10.307 0.561 54 HA ALA 6 HA ALA 6 -6.708 -9.883 1.523 55 1HB ALA 6 1HB ALA 6 -6.508 -12.306 1.521 56 2HB ALA 6 2HB ALA 6 -7.860 -12.450 0.398 57 3HB ALA 6 3HB ALA 6 -8.135 -11.870 2.040 58 H GLU 7 H GLU 7 -7.556 -11.697 -1.462 59 HA GLU 7 HA GLU 7 -4.992 -11.815 -2.558 60 1HB GLU 7 2HB GLU 7 -7.660 -11.503 -3.950 61 2HB GLU 7 1HB GLU 7 -6.157 -11.851 -4.805 62 1HG GLU 7 2HG GLU 7 -7.083 -13.988 -4.432 63 2HG GLU 7 1HG GLU 7 -5.904 -13.814 -3.130 64 H ILE 8 H ILE 8 -7.269 -9.106 -2.627 65 HA ILE 8 HA ILE 8 -5.867 -7.486 -4.522 66 HB ILE 8 HB ILE 8 -7.751 -6.868 -2.256 67 1HG1 ILE 8 2HG1 ILE 8 -8.001 -6.426 -5.244 68 2HG1 ILE 8 1HG1 ILE 8 -8.537 -7.900 -4.436 69 1HG2 ILE 8 1HG2 ILE 8 -6.672 -4.842 -2.197 70 2HG2 ILE 8 2HG2 ILE 8 -7.697 -4.537 -3.600 71 3HG2 ILE 8 3HG2 ILE 8 -6.017 -5.027 -3.823 72 1HD1 ILE 8 1HD1 ILE 8 -10.137 -6.689 -3.109 73 2HD1 ILE 8 2HD1 ILE 8 -10.346 -6.151 -4.776 74 3HD1 ILE 8 3HD1 ILE 8 -9.477 -5.137 -3.624 75 H ARG 9 H ARG 9 -5.699 -7.555 -0.946 76 HA ARG 9 HA ARG 9 -3.648 -5.534 -0.790 77 1HB ARG 9 2HB ARG 9 -4.511 -7.687 1.181 78 2HB ARG 9 1HB ARG 9 -3.369 -6.396 1.564 79 1HG ARG 9 2HG ARG 9 -5.188 -4.760 0.768 80 2HG ARG 9 1HG ARG 9 -6.302 -6.126 0.839 81 1HD ARG 9 2HD ARG 9 -5.661 -6.476 3.227 82 2HD ARG 9 1HD ARG 9 -4.628 -5.052 3.125 83 HE ARG 9 HE ARG 9 -7.084 -4.077 2.341 84 1HH1 ARG 9 1HH2 ARG 9 -5.949 -5.984 4.977 85 2HH1 ARG 9 2HH2 ARG 9 -6.968 -5.214 6.152 86 1HH2 ARG 9 1HH1 ARG 9 -8.507 -3.136 3.843 87 2HH2 ARG 9 2HH1 ARG 9 -8.400 -3.586 5.513 88 H LYS 10 H LYS 10 -3.593 -8.907 -1.560 89 HA LYS 10 HA LYS 10 -0.837 -9.441 -0.868 90 1HB LYS 10 2HB LYS 10 -2.986 -10.765 -2.433 91 2HB LYS 10 1HB LYS 10 -1.345 -11.136 -2.962 92 1HG LYS 10 2HG LYS 10 -1.932 -12.773 -1.290 93 2HG LYS 10 1HG LYS 10 -0.788 -11.658 -0.542 94 1HD LYS 10 2HD LYS 10 -2.690 -10.392 0.437 95 2HD LYS 10 1HD LYS 10 -3.807 -11.566 -0.259 96 1HE LYS 10 2HE LYS 10 -2.792 -13.362 1.055 97 2HE LYS 10 1HE LYS 10 -1.593 -12.242 1.702 98 1HZ LYS 10 1HZ LYS 10 -3.037 -11.449 3.179 99 2HZ LYS 10 2HZ LYS 10 -3.997 -12.806 2.825 100 3HZ LYS 10 3HZ LYS 10 -4.290 -11.327 2.043 101 H LYS 11 H LYS 11 -2.501 -8.116 -3.703 102 HA LYS 11 HA LYS 11 -0.264 -8.050 -5.482 103 1HB LYS 11 2HB LYS 11 -2.574 -6.077 -5.283 104 2HB LYS 11 1HB LYS 11 -1.502 -6.265 -6.668 105 1HG LYS 11 2HG LYS 11 -2.275 -8.787 -6.545 106 2HG LYS 11 1HG LYS 11 -3.650 -8.109 -5.673 107 1HD LYS 11 2HD LYS 11 -4.114 -6.588 -7.548 108 2HD LYS 11 1HD LYS 11 -2.715 -7.216 -8.420 109 1HE LYS 11 2HE LYS 11 -3.753 -9.484 -8.382 110 2HE LYS 11 1HE LYS 11 -5.178 -8.788 -7.610 111 1HZ LYS 11 1HZ LYS 11 -5.051 -7.172 -9.637 112 2HZ LYS 11 2HZ LYS 11 -5.784 -8.696 -9.794 113 3HZ LYS 11 3HZ LYS 11 -4.199 -8.451 -10.354 114 H ILE 12 H ILE 12 -1.433 -5.778 -3.014 115 HA ILE 12 HA ILE 12 0.439 -3.686 -3.439 116 HB ILE 12 HB ILE 12 -1.037 -4.693 -1.008 117 1HG1 ILE 12 2HG1 ILE 12 -2.234 -2.601 -1.214 118 2HG1 ILE 12 1HG1 ILE 12 -1.096 -2.008 -2.423 119 1HG2 ILE 12 1HG2 ILE 12 0.960 -3.903 -0.001 120 2HG2 ILE 12 2HG2 ILE 12 -0.150 -2.536 0.090 121 3HG2 ILE 12 3HG2 ILE 12 1.108 -2.570 -1.145 122 1HD1 ILE 12 1HD1 ILE 12 -2.721 -4.521 -2.838 123 2HD1 ILE 12 2HD1 ILE 12 -1.850 -3.580 -4.048 124 3HD1 ILE 12 3HD1 ILE 12 -3.315 -2.930 -3.311 125 H ASP 13 H ASP 13 0.688 -6.750 -1.715 126 HA ASP 13 HA ASP 13 3.179 -6.338 -0.411 127 1HB ASP 13 2HB ASP 13 1.553 -8.311 -0.165 128 2HB ASP 13 1HB ASP 13 2.288 -8.966 -1.627 129 H GLU 14 H GLU 14 2.430 -7.557 -3.677 130 HA GLU 14 HA GLU 14 5.102 -8.067 -4.508 131 1HB GLU 14 2HB GLU 14 2.672 -7.171 -6.084 132 2HB GLU 14 1HB GLU 14 4.187 -7.673 -6.832 133 1HG GLU 14 2HG GLU 14 4.001 -9.884 -5.780 134 2HG GLU 14 1HG GLU 14 2.517 -9.387 -4.967 135 H ILE 15 H ILE 15 3.293 -5.100 -4.133 136 HA ILE 15 HA ILE 15 5.281 -3.484 -5.583 137 HB ILE 15 HB ILE 15 2.759 -2.868 -4.043 138 1HG1 ILE 15 2HG1 ILE 15 2.331 -1.667 -6.294 139 2HG1 ILE 15 1HG1 ILE 15 3.727 -2.565 -6.889 140 1HG2 ILE 15 1HG2 ILE 15 3.324 -0.433 -4.782 141 2HG2 ILE 15 2HG2 ILE 15 4.990 -1.009 -4.842 142 3HG2 ILE 15 3HG2 ILE 15 4.089 -1.071 -3.327 143 1HD1 ILE 15 1HD1 ILE 15 1.574 -3.753 -7.330 144 2HD1 ILE 15 2HD1 ILE 15 1.291 -3.828 -5.591 145 3HD1 ILE 15 3HD1 ILE 15 2.660 -4.686 -6.300 146 H ASP 16 H ASP 16 4.346 -4.165 -2.236 147 HA ASP 16 HA ASP 16 5.937 -2.273 -0.891 148 1HB ASP 16 2HB ASP 16 4.326 -3.697 0.280 149 2HB ASP 16 1HB ASP 16 5.272 -5.134 -0.104 150 H ASN 17 H ASN 17 6.835 -5.627 -1.776 151 HA ASN 17 HA ASN 17 9.581 -5.365 -1.002 152 1HB ASN 17 2HB ASN 17 8.134 -7.222 -2.906 153 2HB ASN 17 1HB ASN 17 9.871 -7.331 -2.628 154 1HD2 ASN 17 1HD2 ASN 17 8.186 -9.486 -1.868 155 2HD2 ASN 17 2HD2 ASN 17 8.139 -9.578 -0.168 156 H LYS 18 H LYS 18 7.878 -4.787 -4.051 157 HA LYS 18 HA LYS 18 10.158 -4.452 -5.729 158 1HB LYS 18 2HB LYS 18 7.774 -4.694 -6.490 159 2HB LYS 18 1HB LYS 18 7.490 -3.034 -5.972 160 1HG LYS 18 2HG LYS 18 9.207 -2.230 -7.539 161 2HG LYS 18 1HG LYS 18 9.542 -3.888 -8.038 162 1HD LYS 18 2HD LYS 18 7.173 -4.113 -8.787 163 2HD LYS 18 1HD LYS 18 6.904 -2.423 -8.366 164 1HE LYS 18 2HE LYS 18 9.097 -3.246 -10.272 165 2HE LYS 18 1HE LYS 18 7.455 -2.934 -10.831 166 1HZ LYS 18 1HZ LYS 18 8.536 -0.912 -9.072 167 2HZ LYS 18 2HZ LYS 18 7.681 -0.742 -10.531 168 3HZ LYS 18 3HZ LYS 18 9.351 -1.055 -10.552 169 H ILE 19 H ILE 19 8.315 -2.032 -3.836 170 HA ILE 19 HA ILE 19 9.993 0.167 -4.722 171 HB ILE 19 HB ILE 19 7.626 0.392 -3.893 172 1HG1 ILE 19 2HG1 ILE 19 9.959 2.009 -2.998 173 2HG1 ILE 19 1HG1 ILE 19 8.577 2.479 -3.986 174 1HG2 ILE 19 1HG2 ILE 19 8.861 0.191 -1.144 175 2HG2 ILE 19 2HG2 ILE 19 8.062 -1.176 -1.922 176 3HG2 ILE 19 3HG2 ILE 19 7.149 0.289 -1.558 177 1HD1 ILE 19 1HD1 ILE 19 8.707 2.204 -0.980 178 2HD1 ILE 19 2HD1 ILE 19 7.174 2.283 -1.850 179 3HD1 ILE 19 3HD1 ILE 19 8.301 3.638 -1.923 180 H LEU 20 H LEU 20 10.159 -2.158 -2.109 181 HA LEU 20 HA LEU 20 12.189 -0.609 -0.641 182 1HB LEU 20 2HB LEU 20 11.151 -3.442 -0.298 183 2HB LEU 20 1HB LEU 20 12.331 -2.684 0.769 184 HG LEU 20 HG LEU 20 9.607 -1.476 0.230 185 1HD1 LEU 20 1HD1 LEU 20 9.247 -3.665 1.225 186 2HD1 LEU 20 2HD1 LEU 20 8.997 -2.438 2.465 187 3HD1 LEU 20 3HD1 LEU 20 10.497 -3.364 2.433 188 1HD2 LEU 20 1HD2 LEU 20 10.199 -0.484 2.556 189 2HD2 LEU 20 2HD2 LEU 20 11.045 0.167 1.152 190 3HD2 LEU 20 3HD2 LEU 20 11.848 -1.002 2.202 191 H LYS 21 H LYS 21 12.141 -2.583 -3.380 192 HA LYS 21 HA LYS 21 15.086 -3.001 -3.155 193 1HB LYS 21 2HB LYS 21 13.853 -5.142 -2.678 194 2HB LYS 21 1HB LYS 21 13.162 -5.049 -4.296 195 1HG LYS 21 2HG LYS 21 15.407 -5.118 -5.287 196 2HG LYS 21 1HG LYS 21 16.133 -5.129 -3.680 197 1HD LYS 21 2HD LYS 21 15.008 -7.271 -3.186 198 2HD LYS 21 1HD LYS 21 14.294 -7.267 -4.798 199 1HE LYS 21 2HE LYS 21 16.285 -8.677 -4.816 200 2HE LYS 21 1HE LYS 21 16.596 -7.229 -5.771 201 1HZ LYS 21 1HZ LYS 21 18.335 -7.971 -4.060 202 2HZ LYS 21 2HZ LYS 21 17.278 -7.313 -2.904 203 3HZ LYS 21 3HZ LYS 21 17.924 -6.327 -4.128 204 H ALA 22 H ALA 22 14.715 -0.905 -4.492 205 HA ALA 22 HA ALA 22 14.719 -1.693 -7.354 206 1HB ALA 22 1HB ALA 22 12.474 -0.913 -7.095 207 2HB ALA 22 2HB ALA 22 13.362 0.422 -7.832 208 3HB ALA 22 3HB ALA 22 12.992 0.452 -6.108 209 H ARG 23 H ARG 23 17.053 -1.256 -6.122 210 HA ARG 23 HA ARG 23 17.890 1.489 -5.943 211 1HB ARG 23 2HB ARG 23 19.436 -1.094 -6.319 212 2HB ARG 23 1HB ARG 23 20.219 0.474 -6.132 213 1HG ARG 23 2HG ARG 23 19.087 0.782 -3.950 214 2HG ARG 23 1HG ARG 23 18.301 -0.785 -4.142 215 1HD ARG 23 2HD ARG 23 20.518 -1.895 -4.180 216 2HD ARG 23 1HD ARG 23 21.311 -0.329 -3.976 217 HE ARG 23 HE ARG 23 20.167 -1.892 -1.853 218 1HH1 ARG 23 1HH2 ARG 23 20.538 1.322 -3.046 219 2HH1 ARG 23 2HH2 ARG 23 20.326 2.062 -1.495 220 1HH2 ARG 23 1HH1 ARG 23 19.851 -0.924 0.186 221 2HH2 ARG 23 2HH1 ARG 23 19.941 0.802 0.325 222 H TRP 24 H TRP 24 17.982 -0.889 -8.587 223 HA TRP 24 HA TRP 24 19.338 1.001 -10.381 224 1HB TRP 24 2HB TRP 24 18.590 -1.845 -10.432 225 2HB TRP 24 1HB TRP 24 18.393 -1.033 -11.982 226 HD1 TRP 24 HD TRP 24 20.572 -0.071 -13.170 227 HE1 TRP 24 1HE TRP 24 23.085 -0.536 -12.816 228 HE3 TRP 24 3HE TRP 24 20.402 -2.444 -8.654 229 HZ2 TRP 24 2HZ TRP 24 24.796 -1.754 -10.869 230 HZ3 TRP 24 3HZ TRP 24 22.481 -3.244 -7.572 231 HH2 TRP 24 HH TRP 24 24.677 -2.903 -8.671 232 HA PRO 25 HA PRO 25 15.091 0.861 -12.667 233 1HB PRO 25 2HB PRO 25 12.995 -0.344 -11.383 234 2HB PRO 25 1HB PRO 25 14.097 -1.214 -12.470 235 1HG PRO 25 2HG PRO 25 14.149 -1.036 -9.483 236 2HG PRO 25 1HG PRO 25 14.303 -2.466 -10.522 237 1HD PRO 25 2HD PRO 25 16.488 -1.324 -9.461 238 2HD PRO 25 1HD PRO 25 16.518 -1.957 -11.121 239 H TRP 26 H TRP 26 13.518 2.518 -12.562 240 HA TRP 26 HA TRP 26 13.609 4.200 -10.175 241 1HB TRP 26 2HB TRP 26 12.101 5.687 -11.488 242 2HB TRP 26 1HB TRP 26 13.548 5.241 -12.392 243 HD1 TRP 26 HD TRP 26 13.272 3.725 -14.503 244 HE1 TRP 26 1HE TRP 26 11.220 2.915 -15.837 245 HE3 TRP 26 3HE TRP 26 9.555 4.951 -11.228 246 HZ2 TRP 26 2HZ TRP 26 8.373 2.803 -15.550 247 HZ3 TRP 26 3HZ TRP 26 7.185 4.485 -11.779 248 HH2 TRP 26 HH TRP 26 6.590 3.413 -13.935 249 H ALA 27 H ALA 27 12.207 4.038 -8.487 250 HA ALA 27 HA ALA 27 9.397 3.512 -8.825 251 1HB ALA 27 1HB ALA 27 10.086 1.225 -9.233 252 2HB ALA 27 2HB ALA 27 9.380 1.301 -7.619 253 3HB ALA 27 3HB ALA 27 11.131 1.240 -7.813 254 H GLU 28 H GLU 28 10.520 5.558 -7.521 255 HA GLU 28 HA GLU 28 11.124 5.127 -4.744 256 1HB GLU 28 2HB GLU 28 10.100 7.563 -6.230 257 2HB GLU 28 1HB GLU 28 10.584 7.587 -4.535 258 1HG GLU 28 2HG GLU 28 12.842 6.861 -5.133 259 2HG GLU 28 1HG GLU 28 12.373 6.734 -6.829 260 H LYS 29 H LYS 29 8.125 5.823 -6.502 261 HA LYS 29 HA LYS 29 6.576 4.693 -4.277 262 1HB LYS 29 2HB LYS 29 5.069 6.754 -4.227 263 2HB LYS 29 1HB LYS 29 6.653 6.953 -3.480 264 1HG LYS 29 2HG LYS 29 7.455 7.852 -5.733 265 2HG LYS 29 1HG LYS 29 5.756 7.925 -6.199 266 1HD LYS 29 2HD LYS 29 6.867 9.249 -3.711 267 2HD LYS 29 1HD LYS 29 6.661 10.083 -5.251 268 1HE LYS 29 2HE LYS 29 4.221 9.339 -5.177 269 2HE LYS 29 1HE LYS 29 4.511 8.869 -3.503 270 1HZ LYS 29 1HZ LYS 29 5.213 11.132 -3.031 271 2HZ LYS 29 2HZ LYS 29 3.629 11.108 -3.645 272 3HZ LYS 29 3HZ LYS 29 4.924 11.580 -4.640 273 H LEU 30 H LEU 30 5.244 3.318 -5.353 274 HA LEU 30 HA LEU 30 4.396 4.023 -8.108 275 1HB LEU 30 2HB LEU 30 3.962 1.423 -6.604 276 2HB LEU 30 1HB LEU 30 3.730 1.695 -8.330 277 HG LEU 30 HG LEU 30 6.382 1.945 -6.873 278 1HD1 LEU 30 1HD1 LEU 30 5.195 -0.222 -8.624 279 2HD1 LEU 30 2HD1 LEU 30 5.787 -0.383 -6.970 280 3HD1 LEU 30 3HD1 LEU 30 6.922 -0.097 -8.290 281 1HD2 LEU 30 1HD2 LEU 30 7.136 1.841 -9.377 282 2HD2 LEU 30 2HD2 LEU 30 6.523 3.370 -8.746 283 3HD2 LEU 30 3HD2 LEU 30 5.479 2.338 -9.723 284 H ILE 31 H ILE 31 2.887 5.693 -7.373 285 HA ILE 31 HA ILE 31 0.722 5.154 -5.570 286 HB ILE 31 HB ILE 31 0.954 7.148 -7.848 287 1HG1 ILE 31 2HG1 ILE 31 1.162 7.558 -4.850 288 2HG1 ILE 31 1HG1 ILE 31 2.562 7.320 -5.896 289 1HG2 ILE 31 1HG2 ILE 31 -1.140 6.760 -5.701 290 2HG2 ILE 31 2HG2 ILE 31 -1.380 6.889 -7.443 291 3HG2 ILE 31 3HG2 ILE 31 -0.904 8.308 -6.511 292 1HD1 ILE 31 1HD1 ILE 31 2.142 9.330 -7.096 293 2HD1 ILE 31 2HD1 ILE 31 1.915 9.754 -5.399 294 3HD1 ILE 31 3HD1 ILE 31 0.513 9.476 -6.434 295 H ALA 32 H ALA 32 0.994 4.911 -9.114 296 HA ALA 32 HA ALA 32 -1.629 4.372 -9.844 297 1HB ALA 32 1HB ALA 32 -0.638 2.838 -11.598 298 2HB ALA 32 2HB ALA 32 0.922 3.050 -10.803 299 3HB ALA 32 3HB ALA 32 0.103 4.437 -11.522 300 H GLU 33 H GLU 33 0.598 1.610 -9.446 301 HA GLU 33 HA GLU 33 -1.311 -0.381 -9.154 302 1HB GLU 33 2HB GLU 33 1.380 -0.100 -7.787 303 2HB GLU 33 1HB GLU 33 0.418 -1.576 -7.719 304 1HG GLU 33 2HG GLU 33 1.841 -1.964 -9.545 305 2HG GLU 33 1HG GLU 33 0.366 -1.383 -10.318 306 H ARG 34 H ARG 34 0.199 1.395 -6.421 307 HA ARG 34 HA ARG 34 -1.416 0.275 -4.378 308 1HB ARG 34 2HB ARG 34 0.185 2.782 -4.690 309 2HB ARG 34 1HB ARG 34 -0.978 2.737 -3.372 310 1HG ARG 34 2HG ARG 34 0.748 0.329 -3.652 311 2HG ARG 34 1HG ARG 34 1.548 1.812 -3.129 312 1HD ARG 34 2HD ARG 34 0.556 0.323 -1.319 313 2HD ARG 34 1HD ARG 34 0.203 2.023 -1.232 314 HE ARG 34 HE ARG 34 -1.961 0.837 -2.659 315 1HH1 ARG 34 1HH2 ARG 34 -0.286 0.502 0.318 316 2HH1 ARG 34 2HH2 ARG 34 -1.684 -0.005 1.203 317 1HH2 ARG 34 1HH1 ARG 34 -3.827 0.167 -1.525 318 2HH2 ARG 34 2HH1 ARG 34 -3.677 -0.186 0.170 319 H ASN 35 H ASN 35 -1.915 3.258 -6.278 320 HA ASN 35 HA ASN 35 -4.429 3.902 -5.064 321 1HB ASN 35 2HB ASN 35 -3.149 5.577 -6.348 322 2HB ASN 35 1HB ASN 35 -3.353 4.611 -7.816 323 1HD2 ASN 35 1HD2 ASN 35 -4.486 7.366 -6.642 324 2HD2 ASN 35 2HD2 ASN 35 -6.123 7.291 -7.108 325 H SER 36 H SER 36 -3.563 2.023 -7.964 326 HA SER 36 HA SER 36 -6.031 1.585 -9.151 327 1HB SER 36 2HB SER 36 -3.868 0.566 -9.890 328 2HB SER 36 1HB SER 36 -3.989 -0.585 -8.562 329 HG SER 36 HG SER 36 -4.996 -1.657 -10.115 330 H LEU 37 H LEU 37 -4.826 -1.030 -7.074 331 HA LEU 37 HA LEU 37 -7.222 -2.222 -6.409 332 1HB LEU 37 2HB LEU 37 -4.833 -1.731 -4.616 333 2HB LEU 37 1HB LEU 37 -6.179 -2.763 -4.151 334 HG LEU 37 HG LEU 37 -4.385 -4.132 -5.051 335 1HD1 LEU 37 1HD1 LEU 37 -6.952 -4.369 -5.778 336 2HD1 LEU 37 2HD1 LEU 37 -5.706 -5.469 -6.367 337 3HD1 LEU 37 3HD1 LEU 37 -6.245 -4.126 -7.375 338 1HD2 LEU 37 1HD2 LEU 37 -3.367 -3.789 -7.153 339 2HD2 LEU 37 2HD2 LEU 37 -3.502 -2.165 -6.476 340 3HD2 LEU 37 3HD2 LEU 37 -4.654 -2.712 -7.693 341 H ALA 38 H ALA 38 -5.776 0.596 -4.775 342 HA ALA 38 HA ALA 38 -7.428 0.996 -2.617 343 1HB ALA 38 1HB ALA 38 -6.933 3.330 -4.439 344 2HB ALA 38 2HB ALA 38 -5.575 2.524 -3.651 345 3HB ALA 38 3HB ALA 38 -6.851 3.255 -2.680 346 H LYS 39 H LYS 39 -8.237 2.024 -5.946 347 HA LYS 39 HA LYS 39 -10.861 2.982 -5.310 348 1HB LYS 39 2HB LYS 39 -9.793 3.589 -7.407 349 2HB LYS 39 1HB LYS 39 -9.711 1.896 -7.893 350 1HG LYS 39 2HG LYS 39 -12.371 3.107 -7.205 351 2HG LYS 39 1HG LYS 39 -11.669 3.397 -8.796 352 1HD LYS 39 2HD LYS 39 -11.310 0.664 -8.402 353 2HD LYS 39 1HD LYS 39 -12.915 0.979 -7.741 354 1HE LYS 39 2HE LYS 39 -13.544 2.132 -9.841 355 2HE LYS 39 1HE LYS 39 -11.952 1.770 -10.508 356 1HZ LYS 39 1HZ LYS 39 -12.455 -0.403 -10.779 357 2HZ LYS 39 2HZ LYS 39 -14.039 0.204 -10.877 358 3HZ LYS 39 3HZ LYS 39 -13.472 -0.469 -9.424 359 H ASP 40 H ASP 40 -9.812 -0.167 -6.659 360 HA ASP 40 HA ASP 40 -12.413 -1.345 -6.680 361 1HB ASP 40 2HB ASP 40 -9.608 -2.459 -6.600 362 2HB ASP 40 1HB ASP 40 -11.009 -3.530 -6.541 363 H VAL 41 H VAL 41 -9.892 -1.207 -4.182 364 HA VAL 41 HA VAL 41 -11.109 -2.988 -2.320 365 HB VAL 41 HB VAL 41 -9.379 -0.544 -1.829 366 1HG1 VAL 41 1HG1 VAL 41 -10.515 -2.649 -0.035 367 2HG1 VAL 41 2HG1 VAL 41 -10.214 -0.942 0.290 368 3HG1 VAL 41 3HG1 VAL 41 -8.873 -2.088 0.281 369 1HG2 VAL 41 1HG2 VAL 41 -7.524 -2.019 -1.880 370 2HG2 VAL 41 2HG2 VAL 41 -8.508 -2.517 -3.255 371 3HG2 VAL 41 3HG2 VAL 41 -8.551 -3.450 -1.759 372 H ALA 42 H ALA 42 -11.420 0.530 -2.752 373 HA ALA 42 HA ALA 42 -13.101 1.138 -0.597 374 1HB ALA 42 1HB ALA 42 -13.340 3.145 -1.642 375 2HB ALA 42 2HB ALA 42 -13.936 2.399 -3.124 376 3HB ALA 42 3HB ALA 42 -12.200 2.496 -2.823 377 H GLU 43 H GLU 43 -13.995 -0.137 -3.798 378 HA GLU 43 HA GLU 43 -16.800 -0.203 -3.492 379 1HB GLU 43 2HB GLU 43 -15.524 -0.793 -5.582 380 2HB GLU 43 1HB GLU 43 -15.099 -2.332 -4.832 381 1HG GLU 43 2HG GLU 43 -17.036 -2.726 -6.210 382 2HG GLU 43 1HG GLU 43 -17.572 -2.761 -4.532 383 H ILE 44 H ILE 44 -14.583 -2.966 -2.941 384 HA ILE 44 HA ILE 44 -16.363 -4.714 -1.701 385 HB ILE 44 HB ILE 44 -13.528 -4.268 -0.749 386 1HG1 ILE 44 2HG1 ILE 44 -13.407 -4.416 -3.154 387 2HG1 ILE 44 1HG1 ILE 44 -12.936 -5.986 -2.506 388 1HG2 ILE 44 1HG2 ILE 44 -15.158 -6.809 -0.952 389 2HG2 ILE 44 2HG2 ILE 44 -15.026 -5.848 0.522 390 3HG2 ILE 44 3HG2 ILE 44 -13.591 -6.607 -0.170 391 1HD1 ILE 44 1HD1 ILE 44 -15.428 -6.623 -2.785 392 2HD1 ILE 44 2HD1 ILE 44 -14.438 -6.528 -4.241 393 3HD1 ILE 44 3HD1 ILE 44 -15.533 -5.206 -3.830 394 H LYS 45 H LYS 45 -14.685 -1.933 -0.281 395 HA LYS 45 HA LYS 45 -15.311 -2.447 2.456 396 1HB LYS 45 2HB LYS 45 -14.937 0.194 0.997 397 2HB LYS 45 1HB LYS 45 -15.014 0.028 2.752 398 1HG LYS 45 2HG LYS 45 -13.050 -1.617 1.170 399 2HG LYS 45 1HG LYS 45 -12.668 0.053 1.591 400 1HD LYS 45 2HD LYS 45 -13.327 -0.606 4.006 401 2HD LYS 45 1HD LYS 45 -13.187 -2.272 3.447 402 1HE LYS 45 2HE LYS 45 -11.057 -1.604 4.407 403 2HE LYS 45 1HE LYS 45 -10.860 -1.750 2.661 404 1HZ LYS 45 1HZ LYS 45 -9.983 0.292 2.872 405 2HZ LYS 45 2HZ LYS 45 -10.765 0.606 4.347 406 3HZ LYS 45 3HZ LYS 45 -11.602 0.800 2.881 407 H ASN 46 H ASN 46 -17.080 -0.637 -0.045 408 HA ASN 46 HA ASN 46 -19.255 0.204 1.602 409 1HB ASN 46 2HB ASN 46 -18.805 1.125 -0.650 410 2HB ASN 46 1HB ASN 46 -19.215 -0.434 -1.365 411 1HD2 ASN 46 1HD2 ASN 46 -21.207 -0.085 -2.378 412 2HD2 ASN 46 2HD2 ASN 46 -22.563 0.604 -1.623 413 H GLN 47 H GLN 47 -18.669 -2.748 -0.267 414 HA GLN 47 HA GLN 47 -21.303 -3.856 0.312 415 1HB GLN 47 2HB GLN 47 -20.723 -5.424 -1.217 416 2HB GLN 47 1HB GLN 47 -19.299 -4.432 -1.518 417 1HG GLN 47 2HG GLN 47 -18.133 -5.690 0.330 418 2HG GLN 47 1HG GLN 47 -19.520 -6.775 0.384 419 1HE2 GLN 47 1HE2 GLN 47 -18.183 -5.324 -2.593 420 2HE2 GLN 47 2HE2 GLN 47 -17.696 -6.794 -3.286 421 H LEU 48 H LEU 48 -18.432 -3.484 2.078 422 HA LEU 48 HA LEU 48 -18.944 -5.839 3.813 423 1HB LEU 48 2HB LEU 48 -16.743 -3.754 3.738 424 2HB LEU 48 1HB LEU 48 -16.912 -4.894 5.072 425 HG LEU 48 HG LEU 48 -16.762 -5.815 2.196 426 1HD1 LEU 48 1HD1 LEU 48 -14.555 -5.180 4.161 427 2HD1 LEU 48 2HD1 LEU 48 -14.705 -4.656 2.484 428 3HD1 LEU 48 3HD1 LEU 48 -14.323 -6.339 2.851 429 1HD2 LEU 48 1HD2 LEU 48 -15.792 -7.849 3.511 430 2HD2 LEU 48 2HD2 LEU 48 -17.532 -7.571 3.575 431 3HD2 LEU 48 3HD2 LEU 48 -16.511 -7.081 4.927 432 H GLY 49 H GLY 49 -20.014 -2.702 3.498 433 1HA GLY 49 2HA GLY 49 -21.166 -1.241 4.919 434 2HA GLY 49 1HA GLY 49 -21.563 -2.680 5.852 435 H ILE 50 H ILE 50 -18.534 -0.805 5.289 436 HA ILE 50 HA ILE 50 -18.407 -0.265 8.193 437 HB ILE 50 HB ILE 50 -15.888 -1.044 8.026 438 1HG1 ILE 50 2HG1 ILE 50 -15.691 -3.106 6.650 439 2HG1 ILE 50 1HG1 ILE 50 -17.289 -2.790 5.974 440 1HG2 ILE 50 1HG2 ILE 50 -17.607 -1.920 9.577 441 2HG2 ILE 50 2HG2 ILE 50 -16.563 -3.205 8.969 442 3HG2 ILE 50 3HG2 ILE 50 -18.187 -3.000 8.309 443 1HD1 ILE 50 1HD1 ILE 50 -16.555 -0.969 4.734 444 2HD1 ILE 50 2HD1 ILE 50 -15.102 -1.969 4.711 445 3HD1 ILE 50 3HD1 ILE 50 -15.227 -0.621 5.840 446 HA PRO 51 HA PRO 51 -16.607 3.561 7.077 447 1HB PRO 51 2HB PRO 51 -14.422 2.957 9.036 448 2HB PRO 51 1HB PRO 51 -15.468 4.388 8.919 449 1HG PRO 51 2HG PRO 51 -15.936 2.619 10.790 450 2HG PRO 51 1HG PRO 51 -17.294 3.274 9.852 451 1HD PRO 51 2HD PRO 51 -15.923 0.606 9.548 452 2HD PRO 51 1HD PRO 51 -17.661 0.974 9.537 453 H ILE 52 H ILE 52 -15.172 4.358 5.575 454 HA ILE 52 HA ILE 52 -13.449 2.562 4.139 455 HB ILE 52 HB ILE 52 -13.437 5.599 4.127 456 1HG1 ILE 52 2HG1 ILE 52 -15.009 3.672 2.390 457 2HG1 ILE 52 1HG1 ILE 52 -15.694 4.588 3.731 458 1HG2 ILE 52 1HG2 ILE 52 -12.590 3.566 2.039 459 2HG2 ILE 52 2HG2 ILE 52 -11.491 4.530 3.024 460 3HG2 ILE 52 3HG2 ILE 52 -12.544 5.319 1.850 461 1HD1 ILE 52 1HD1 ILE 52 -16.017 5.650 1.454 462 2HD1 ILE 52 2HD1 ILE 52 -14.270 5.884 1.393 463 3HD1 ILE 52 3HD1 ILE 52 -15.223 6.682 2.643 464 H ASN 53 H ASN 53 -12.813 5.143 6.512 465 HA ASN 53 HA ASN 53 -9.962 4.904 6.400 466 1HB ASN 53 2HB ASN 53 -11.516 6.737 7.534 467 2HB ASN 53 1HB ASN 53 -11.332 5.693 8.947 468 1HD2 ASN 53 1HD2 ASN 53 -8.823 4.864 9.084 469 2HD2 ASN 53 2HD2 ASN 53 -7.681 6.122 8.972 470 H ASP 54 H ASP 54 -8.539 3.792 7.825 471 HA ASP 54 HA ASP 54 -9.494 2.036 9.901 472 1HB ASP 54 2HB ASP 54 -10.250 0.894 7.746 473 2HB ASP 54 1HB ASP 54 -8.540 0.635 7.408 474 HA PRO 55 HA PRO 55 -5.007 3.297 9.976 475 1HB PRO 55 2HB PRO 55 -5.003 3.499 12.733 476 2HB PRO 55 1HB PRO 55 -5.425 4.841 11.651 477 1HG PRO 55 2HG PRO 55 -7.225 2.956 13.115 478 2HG PRO 55 1HG PRO 55 -7.356 4.712 12.914 479 1HD PRO 55 2HD PRO 55 -8.867 3.077 11.434 480 2HD PRO 55 1HD PRO 55 -8.155 4.541 10.715 481 H GLU 56 H GLU 56 -6.546 1.283 12.504 482 HA GLU 56 HA GLU 56 -4.619 -0.395 13.361 483 1HB GLU 56 2HB GLU 56 -7.263 -1.299 12.177 484 2HB GLU 56 1HB GLU 56 -6.239 -2.298 13.210 485 1HG GLU 56 2HG GLU 56 -7.372 0.400 14.019 486 2HG GLU 56 1HG GLU 56 -8.071 -1.153 14.478 487 H ARG 57 H ARG 57 -6.333 -1.198 10.328 488 HA ARG 57 HA ARG 57 -4.536 -3.131 9.362 489 1HB ARG 57 2HB ARG 57 -6.795 -1.820 8.387 490 2HB ARG 57 1HB ARG 57 -5.530 -1.363 7.249 491 1HG ARG 57 2HG ARG 57 -6.008 -4.229 8.071 492 2HG ARG 57 1HG ARG 57 -6.789 -3.499 6.672 493 1HD ARG 57 2HD ARG 57 -3.808 -3.354 7.005 494 2HD ARG 57 1HD ARG 57 -4.575 -4.791 6.327 495 HE ARG 57 HE ARG 57 -5.691 -2.783 4.823 496 1HH1 ARG 57 1HH2 ARG 57 -2.474 -3.662 5.732 497 2HH1 ARG 57 2HH2 ARG 57 -1.778 -3.225 4.195 498 1HH2 ARG 57 1HH1 ARG 57 -4.786 -2.202 2.821 499 2HH2 ARG 57 2HH1 ARG 57 -3.089 -2.427 2.553 500 H GLU 58 H GLU 58 -4.477 0.400 8.843 501 HA GLU 58 HA GLU 58 -2.086 0.434 7.264 502 1HB GLU 58 2HB GLU 58 -3.197 2.578 9.112 503 2HB GLU 58 1HB GLU 58 -1.994 2.834 7.846 504 1HG GLU 58 2HG GLU 58 -3.591 2.171 6.128 505 2HG GLU 58 1HG GLU 58 -4.787 1.754 7.356 506 H LYS 59 H LYS 59 -2.665 0.563 10.768 507 HA LYS 59 HA LYS 59 0.032 1.121 11.561 508 1HB LYS 59 2HB LYS 59 -2.122 -0.466 13.009 509 2HB LYS 59 1HB LYS 59 -0.649 0.152 13.753 510 1HG LYS 59 2HG LYS 59 -2.781 1.864 12.430 511 2HG LYS 59 1HG LYS 59 -2.592 1.646 14.169 512 1HD LYS 59 2HD LYS 59 -0.156 2.452 13.795 513 2HD LYS 59 1HD LYS 59 -0.744 3.046 12.243 514 1HE LYS 59 2HE LYS 59 -2.459 4.385 13.376 515 2HE LYS 59 1HE LYS 59 -1.931 3.765 14.940 516 1HZ LYS 59 1HZ LYS 59 -1.040 6.028 13.998 517 2HZ LYS 59 2HZ LYS 59 0.067 5.012 13.204 518 3HZ LYS 59 3HZ LYS 59 -0.036 4.997 14.899 519 H TYR 60 H TYR 60 -1.718 -1.899 10.927 520 HA TYR 60 HA TYR 60 0.296 -3.749 11.682 521 1HB TYR 60 2HB TYR 60 -1.922 -4.547 11.180 522 2HB TYR 60 1HB TYR 60 -1.857 -3.874 9.553 523 HD1 TYR 60 1HD TYR 60 -0.655 -6.571 11.766 524 HD2 TYR 60 2HD TYR 60 -0.595 -4.973 7.777 525 HE1 TYR 60 1HE TYR 60 0.280 -8.708 10.924 526 HE2 TYR 60 2HE TYR 60 0.347 -7.109 6.938 527 HH TYR 60 HH TYR 60 0.665 -9.928 9.028 528 H ILE 61 H ILE 61 -0.223 -1.987 8.646 529 HA ILE 61 HA ILE 61 1.827 -3.267 7.112 530 HB ILE 61 HB ILE 61 0.511 -0.556 6.988 531 1HG1 ILE 61 2HG1 ILE 61 -0.529 -2.829 6.209 532 2HG1 ILE 61 1HG1 ILE 61 -0.644 -1.429 5.144 533 1HG2 ILE 61 1HG2 ILE 61 2.677 -0.032 6.193 534 2HG2 ILE 61 2HG2 ILE 61 1.749 -0.380 4.733 535 3HG2 ILE 61 3HG2 ILE 61 2.848 -1.592 5.390 536 1HD1 ILE 61 1HD1 ILE 61 1.735 -3.235 4.902 537 2HD1 ILE 61 2HD1 ILE 61 0.958 -2.248 3.666 538 3HD1 ILE 61 3HD1 ILE 61 0.202 -3.749 4.201 539 H TYR 62 H TYR 62 1.883 -0.472 9.312 540 HA TYR 62 HA TYR 62 4.497 0.466 8.809 541 1HB TYR 62 2HB TYR 62 2.714 0.459 11.240 542 2HB TYR 62 1HB TYR 62 4.382 1.009 11.398 543 HD1 TYR 62 1HD TYR 62 1.937 1.371 8.567 544 HD2 TYR 62 2HD TYR 62 4.331 3.349 11.539 545 HE1 TYR 62 1HE TYR 62 1.293 3.576 7.625 546 HE2 TYR 62 2HE TYR 62 3.689 5.550 10.592 547 HH TYR 62 HH TYR 62 1.140 5.927 8.386 548 H ASP 63 H ASP 63 3.407 -2.105 11.017 549 HA ASP 63 HA ASP 63 6.044 -2.756 11.980 550 1HB ASP 63 2HB ASP 63 3.786 -3.348 13.053 551 2HB ASP 63 1HB ASP 63 3.678 -4.639 11.858 552 H ARG 64 H ARG 64 4.095 -3.795 9.237 553 HA ARG 64 HA ARG 64 5.656 -6.106 8.519 554 1HB ARG 64 2HB ARG 64 3.413 -5.832 7.603 555 2HB ARG 64 1HB ARG 64 3.862 -4.303 6.850 556 1HG ARG 64 2HG ARG 64 5.509 -5.495 5.428 557 2HG ARG 64 1HG ARG 64 5.032 -7.017 6.171 558 1HD ARG 64 2HD ARG 64 3.098 -5.220 4.700 559 2HD ARG 64 1HD ARG 64 3.922 -6.582 3.944 560 HE ARG 64 HE ARG 64 1.617 -6.677 5.731 561 1HH1 ARG 64 1HH2 ARG 64 4.495 -8.211 4.954 562 2HH1 ARG 64 2HH2 ARG 64 3.960 -9.791 5.394 563 1HH2 ARG 64 1HH1 ARG 64 0.809 -8.702 6.364 564 2HH2 ARG 64 2HH1 ARG 64 1.846 -10.088 6.203 565 H ILE 65 H ILE 65 5.648 -2.772 7.216 566 HA ILE 65 HA ILE 65 7.850 -3.154 5.440 567 HB ILE 65 HB ILE 65 7.051 -0.584 6.838 568 1HG1 ILE 65 2HG1 ILE 65 5.074 -1.483 5.777 569 2HG1 ILE 65 1HG1 ILE 65 5.698 -0.204 4.738 570 1HG2 ILE 65 1HG2 ILE 65 7.889 0.277 4.518 571 2HG2 ILE 65 2HG2 ILE 65 8.725 -1.272 4.439 572 3HG2 ILE 65 3HG2 ILE 65 9.075 -0.148 5.752 573 1HD1 ILE 65 1HD1 ILE 65 5.845 -3.186 4.341 574 2HD1 ILE 65 2HD1 ILE 65 6.977 -2.110 3.520 575 3HD1 ILE 65 3HD1 ILE 65 5.244 -1.954 3.233 576 H ARG 66 H ARG 66 7.742 -2.005 8.824 577 HA ARG 66 HA ARG 66 10.447 -1.285 9.138 578 1HB ARG 66 2HB ARG 66 8.699 -0.973 10.902 579 2HB ARG 66 1HB ARG 66 8.721 -2.706 11.198 580 1HG ARG 66 2HG ARG 66 11.071 -2.597 11.857 581 2HG ARG 66 1HG ARG 66 11.114 -0.872 11.498 582 1HD ARG 66 2HD ARG 66 9.349 -0.509 13.210 583 2HD ARG 66 1HD ARG 66 9.372 -2.222 13.586 584 HE ARG 66 HE ARG 66 12.024 -1.117 13.833 585 1HH1 ARG 66 1HH2 ARG 66 8.972 -0.917 15.262 586 2HH1 ARG 66 2HH2 ARG 66 9.573 -0.328 16.792 587 1HH2 ARG 66 1HH1 ARG 66 12.882 -0.377 15.776 588 2HH2 ARG 66 2HH1 ARG 66 11.794 -0.004 17.075 589 H LYS 67 H LYS 67 8.954 -4.510 9.299 590 HA LYS 67 HA LYS 67 11.302 -5.915 10.168 591 1HB LYS 67 2HB LYS 67 8.984 -6.846 10.242 592 2HB LYS 67 1HB LYS 67 9.004 -6.965 8.484 593 1HG LYS 67 2HG LYS 67 10.911 -8.509 8.585 594 2HG LYS 67 1HG LYS 67 10.962 -8.355 10.342 595 1HD LYS 67 2HD LYS 67 8.666 -9.280 10.484 596 2HD LYS 67 1HD LYS 67 8.638 -9.459 8.730 597 1HE LYS 67 2HE LYS 67 10.722 -10.766 10.500 598 2HE LYS 67 1HE LYS 67 9.237 -11.571 9.993 599 1HZ LYS 67 1HZ LYS 67 11.637 -11.222 8.551 600 2HZ LYS 67 2HZ LYS 67 10.369 -10.457 7.718 601 3HZ LYS 67 3HZ LYS 67 10.255 -12.105 8.115 602 H LEU 68 H LEU 68 9.863 -5.834 6.872 603 HA LEU 68 HA LEU 68 12.182 -6.957 5.605 604 1HB LEU 68 2HB LEU 68 9.962 -5.208 4.499 605 2HB LEU 68 1HB LEU 68 11.184 -5.990 3.500 606 HG LEU 68 HG LEU 68 9.330 -7.484 5.379 607 1HD1 LEU 68 1HD1 LEU 68 8.285 -8.198 3.139 608 2HD1 LEU 68 2HD1 LEU 68 9.141 -6.827 2.434 609 3HD1 LEU 68 3HD1 LEU 68 7.930 -6.559 3.687 610 1HD2 LEU 68 1HD2 LEU 68 10.085 -9.339 3.666 611 2HD2 LEU 68 2HD2 LEU 68 11.160 -8.896 4.992 612 3HD2 LEU 68 3HD2 LEU 68 11.442 -8.250 3.376 613 H CYS 69 H CYS 69 11.113 -3.598 6.114 614 HA CYS 69 HA CYS 69 13.232 -2.349 4.657 615 1HB CYS 69 2HB CYS 69 11.082 -1.270 5.521 616 2HB CYS 69 1HB CYS 69 11.873 -1.182 7.095 617 HG CYS 69 HG CYS 69 13.661 0.409 6.083 618 H LYS 70 H LYS 70 13.159 -3.895 7.742 619 HA LYS 70 HA LYS 70 15.658 -2.583 8.633 620 1HB LYS 70 2HB LYS 70 14.128 -2.938 10.419 621 2HB LYS 70 1HB LYS 70 13.776 -4.582 9.892 622 1HG LYS 70 2HG LYS 70 16.619 -3.990 10.539 623 2HG LYS 70 1HG LYS 70 15.498 -4.022 11.899 624 1HD LYS 70 2HD LYS 70 14.672 -6.261 11.007 625 2HD LYS 70 1HD LYS 70 16.056 -6.236 9.914 626 1HE LYS 70 2HE LYS 70 17.600 -6.119 11.800 627 2HE LYS 70 1HE LYS 70 16.253 -6.001 12.932 628 1HZ LYS 70 1HZ LYS 70 17.445 -8.307 11.930 629 2HZ LYS 70 2HZ LYS 70 15.879 -8.243 11.278 630 3HZ LYS 70 3HZ LYS 70 16.104 -8.194 12.961 631 H GLU 71 H GLU 71 14.500 -5.630 7.324 632 HA GLU 71 HA GLU 71 16.835 -7.201 7.894 633 1HB GLU 71 2HB GLU 71 14.676 -7.445 5.793 634 2HB GLU 71 1HB GLU 71 15.977 -8.622 5.962 635 1HG GLU 71 2HG GLU 71 14.128 -7.831 8.225 636 2HG GLU 71 1HG GLU 71 13.870 -9.236 7.193 637 H HIS 72 H HIS 72 15.898 -5.299 5.017 638 HA HIS 72 HA HIS 72 18.426 -5.972 3.681 639 1HB HIS 72 2HB HIS 72 16.282 -3.992 2.869 640 2HB HIS 72 1HB HIS 72 17.577 -4.611 1.846 641 HD1 HIS 72 1HD HIS 72 17.543 -7.351 1.558 642 HD2 HIS 72 2HD HIS 72 13.988 -5.550 2.788 643 HE1 HIS 72 1HE HIS 72 15.698 -9.034 1.121 644 HE2 HIS 72 2HE HIS 72 13.531 -7.947 1.866 645 H ASN 73 H ASN 73 17.934 -4.109 6.223 646 HA ASN 73 HA ASN 73 18.782 -2.035 7.003 647 1HB ASN 73 2HB ASN 73 21.071 -3.329 5.504 648 2HB ASN 73 1HB ASN 73 21.275 -1.891 6.513 649 1HD2 ASN 73 1HD2 ASN 73 22.082 -4.915 6.832 650 2HD2 ASN 73 2HD2 ASN 73 21.579 -5.282 8.418 651 H VAL 74 H VAL 74 17.391 -1.825 4.397 652 HA VAL 74 HA VAL 74 18.990 -0.100 2.694 653 HB VAL 74 HB VAL 74 16.670 0.435 1.707 654 1HG1 VAL 74 1HG1 VAL 74 17.875 -2.327 1.861 655 2HG1 VAL 74 2HG1 VAL 74 17.990 -1.151 0.552 656 3HG1 VAL 74 3HG1 VAL 74 16.469 -1.995 0.848 657 1HG2 VAL 74 1HG2 VAL 74 15.424 -0.144 3.783 658 2HG2 VAL 74 2HG2 VAL 74 15.917 -1.826 3.586 659 3HG2 VAL 74 3HG2 VAL 74 14.862 -1.070 2.391 660 H ASP 75 H ASP 75 16.414 0.455 5.102 661 HA ASP 75 HA ASP 75 17.398 2.788 6.224 662 1HB ASP 75 2HB ASP 75 15.905 4.490 4.907 663 2HB ASP 75 1HB ASP 75 17.482 4.041 4.257 664 H GLU 76 H GLU 76 16.234 2.008 7.998 665 HA GLU 76 HA GLU 76 13.490 1.223 7.946 666 1HB GLU 76 2HB GLU 76 15.080 0.672 9.789 667 2HB GLU 76 1HB GLU 76 15.048 2.364 10.286 668 1HG GLU 76 2HG GLU 76 12.634 2.228 10.693 669 2HG GLU 76 1HG GLU 76 12.617 0.556 10.129 670 H ASN 77 H ASN 77 14.683 4.121 9.654 671 HA ASN 77 HA ASN 77 12.305 5.461 9.986 672 1HB ASN 77 2HB ASN 77 13.809 7.603 9.482 673 2HB ASN 77 1HB ASN 77 14.051 6.626 10.930 674 1HD2 ASN 77 1HD2 ASN 77 14.953 5.454 7.706 675 2HD2 ASN 77 2HD2 ASN 77 16.631 5.503 7.966 676 H ILE 78 H ILE 78 14.415 6.444 7.251 677 HA ILE 78 HA ILE 78 12.498 7.925 5.872 678 HB ILE 78 HB ILE 78 14.528 6.130 4.517 679 1HG1 ILE 78 2HG1 ILE 78 15.097 8.979 5.237 680 2HG1 ILE 78 1HG1 ILE 78 15.229 7.765 6.510 681 1HG2 ILE 78 1HG2 ILE 78 13.180 8.742 3.771 682 2HG2 ILE 78 2HG2 ILE 78 13.002 7.186 2.961 683 3HG2 ILE 78 3HG2 ILE 78 14.538 8.048 2.884 684 1HD1 ILE 78 1HD1 ILE 78 16.897 6.552 5.337 685 2HD1 ILE 78 2HD1 ILE 78 17.357 8.244 5.144 686 3HD1 ILE 78 3HD1 ILE 78 16.557 7.393 3.824 687 H GLY 79 H GLY 79 13.032 4.413 5.690 688 1HA GLY 79 2HA GLY 79 11.326 3.742 3.587 689 2HA GLY 79 1HA GLY 79 11.556 2.717 5.003 690 H ILE 80 H ILE 80 10.307 3.773 7.030 691 HA ILE 80 HA ILE 80 7.516 3.544 6.409 692 HB ILE 80 HB ILE 80 8.926 4.589 8.876 693 1HG1 ILE 80 2HG1 ILE 80 7.498 1.958 8.405 694 2HG1 ILE 80 1HG1 ILE 80 9.236 2.163 8.179 695 1HG2 ILE 80 1HG2 ILE 80 6.641 4.039 9.927 696 2HG2 ILE 80 2HG2 ILE 80 6.009 4.072 8.281 697 3HG2 ILE 80 3HG2 ILE 80 6.743 5.520 8.975 698 1HD1 ILE 80 1HD1 ILE 80 7.853 2.914 10.762 699 2HD1 ILE 80 2HD1 ILE 80 9.579 2.677 10.482 700 3HD1 ILE 80 3HD1 ILE 80 8.485 1.293 10.473 701 H LYS 81 H LYS 81 9.661 6.308 6.638 702 HA LYS 81 HA LYS 81 7.722 8.367 6.990 703 1HB LYS 81 2HB LYS 81 10.201 8.678 7.118 704 2HB LYS 81 1HB LYS 81 10.271 8.530 5.364 705 1HG LYS 81 2HG LYS 81 8.766 10.481 5.145 706 2HG LYS 81 1HG LYS 81 8.706 10.623 6.901 707 1HD LYS 81 2HD LYS 81 11.392 10.576 5.587 708 2HD LYS 81 1HD LYS 81 10.439 12.055 5.476 709 1HE LYS 81 2HE LYS 81 10.897 10.648 8.112 710 2HE LYS 81 1HE LYS 81 12.023 11.856 7.491 711 1HZ LYS 81 1HZ LYS 81 9.703 13.123 7.171 712 2HZ LYS 81 2HZ LYS 81 10.662 13.263 8.567 713 3HZ LYS 81 3HZ LYS 81 9.341 12.197 8.545 714 H ILE 82 H ILE 82 8.755 6.633 4.083 715 HA ILE 82 HA ILE 82 7.139 8.409 2.354 716 HB ILE 82 HB ILE 82 8.686 5.918 1.613 717 1HG1 ILE 82 2HG1 ILE 82 10.212 7.488 2.674 718 2HG1 ILE 82 1HG1 ILE 82 10.466 7.556 0.930 719 1HG2 ILE 82 1HG2 ILE 82 7.691 8.303 0.018 720 2HG2 ILE 82 2HG2 ILE 82 7.059 6.658 -0.067 721 3HG2 ILE 82 3HG2 ILE 82 8.695 7.004 -0.627 722 1HD1 ILE 82 1HD1 ILE 82 10.353 9.827 1.513 723 2HD1 ILE 82 2HD1 ILE 82 9.088 9.555 2.712 724 3HD1 ILE 82 3HD1 ILE 82 8.704 9.481 0.992 725 H PHE 83 H PHE 83 7.126 5.024 3.466 726 HA PHE 83 HA PHE 83 5.039 4.039 1.849 727 1HB PHE 83 2HB PHE 83 6.239 3.326 4.455 728 2HB PHE 83 1HB PHE 83 4.593 2.739 4.212 729 HD1 PHE 83 1HD PHE 83 4.119 0.968 2.684 730 HD2 PHE 83 2HD PHE 83 8.022 2.763 2.759 731 HE1 PHE 83 1HE PHE 83 4.972 -0.826 1.199 732 HE2 PHE 83 2HE PHE 83 8.875 0.967 1.276 733 HZ PHE 83 HZ PHE 83 7.350 -0.828 0.496 734 H GLN 84 H GLN 84 4.829 5.754 4.966 735 HA GLN 84 HA GLN 84 2.019 5.625 5.312 736 1HB GLN 84 2HB GLN 84 2.288 7.514 6.799 737 2HB GLN 84 1HB GLN 84 3.713 6.493 6.975 738 1HG GLN 84 2HG GLN 84 4.855 7.979 5.258 739 2HG GLN 84 1HG GLN 84 3.480 9.075 5.411 740 1HE2 GLN 84 1HE2 GLN 84 5.728 7.293 7.623 741 2HE2 GLN 84 2HE2 GLN 84 5.907 8.589 8.711 742 H ARG 85 H ARG 85 4.017 7.939 3.493 743 HA ARG 85 HA ARG 85 2.006 9.746 2.695 744 1HB ARG 85 2HB ARG 85 4.487 9.953 2.225 745 2HB ARG 85 1HB ARG 85 4.286 8.764 0.942 746 1HG ARG 85 2HG ARG 85 4.072 10.755 -0.257 747 2HG ARG 85 1HG ARG 85 2.381 10.419 0.127 748 1HD ARG 85 2HD ARG 85 2.978 12.783 0.644 749 2HD ARG 85 1HD ARG 85 2.515 11.906 2.078 750 HE ARG 85 HE ARG 85 5.328 11.667 1.863 751 1HH1 ARG 85 1HH2 ARG 85 2.898 14.111 2.146 752 2HH1 ARG 85 2HH2 ARG 85 3.962 15.289 2.843 753 1HH2 ARG 85 1HH1 ARG 85 6.736 13.220 2.847 754 2HH2 ARG 85 2HH1 ARG 85 6.113 14.791 3.227 755 H LEU 86 H LEU 86 2.944 6.619 1.263 756 HA LEU 86 HA LEU 86 1.195 6.694 -0.990 757 1HB LEU 86 2HB LEU 86 2.514 4.509 0.589 758 2HB LEU 86 1HB LEU 86 1.297 4.081 -0.610 759 HG LEU 86 HG LEU 86 2.560 5.305 -2.334 760 1HD1 LEU 86 1HD1 LEU 86 3.609 7.010 -0.960 761 2HD1 LEU 86 2HD1 LEU 86 4.875 6.083 -1.764 762 3HD1 LEU 86 3HD1 LEU 86 4.510 5.787 -0.065 763 1HD2 LEU 86 1HD2 LEU 86 4.483 3.483 -0.886 764 2HD2 LEU 86 2HD2 LEU 86 4.270 3.687 -2.625 765 3HD2 LEU 86 3HD2 LEU 86 3.036 2.858 -1.676 766 H ILE 87 H ILE 87 0.685 5.519 2.337 767 HA ILE 87 HA ILE 87 -1.940 4.460 1.911 768 HB ILE 87 HB ILE 87 -0.879 5.695 4.467 769 1HG1 ILE 87 2HG1 ILE 87 0.783 4.124 3.648 770 2HG1 ILE 87 1HG1 ILE 87 -0.100 3.359 4.969 771 1HG2 ILE 87 1HG2 ILE 87 -3.300 5.095 4.389 772 2HG2 ILE 87 2HG2 ILE 87 -2.394 4.126 5.551 773 3HG2 ILE 87 3HG2 ILE 87 -2.847 3.439 3.991 774 1HD1 ILE 87 1HD1 ILE 87 -0.072 1.677 3.333 775 2HD1 ILE 87 2HD1 ILE 87 -0.295 2.825 2.013 776 3HD1 ILE 87 3HD1 ILE 87 -1.645 2.432 3.077 777 H GLU 88 H GLU 88 -0.800 7.708 2.774 778 HA GLU 88 HA GLU 88 -3.259 8.915 3.449 779 1HB GLU 88 2HB GLU 88 -0.900 10.076 1.934 780 2HB GLU 88 1HB GLU 88 -2.203 11.034 2.635 781 1HG GLU 88 2HG GLU 88 -0.606 9.095 4.312 782 2HG GLU 88 1HG GLU 88 -0.054 10.749 4.040 783 H HIS 89 H HIS 89 -1.716 8.784 0.220 784 HA HIS 89 HA HIS 89 -3.954 9.956 -1.144 785 1HB HIS 89 2HB HIS 89 -2.754 9.538 -3.118 786 2HB HIS 89 1HB HIS 89 -1.481 9.669 -1.909 787 HD1 HIS 89 1HD HIS 89 -3.712 6.671 -2.673 788 HD2 HIS 89 2HD HIS 89 0.324 7.726 -2.712 789 HE1 HIS 89 1HE HIS 89 -2.418 4.545 -3.151 790 HE2 HIS 89 2HE HIS 89 0.038 5.175 -3.177 791 H ASN 90 H ASN 90 -3.350 6.788 0.059 792 HA ASN 90 HA ASN 90 -5.052 5.281 -1.711 793 1HB ASN 90 2HB ASN 90 -3.311 4.458 0.055 794 2HB ASN 90 1HB ASN 90 -4.635 4.622 1.206 795 1HD2 ASN 90 1HD2 ASN 90 -3.497 2.785 -1.602 796 2HD2 ASN 90 2HD2 ASN 90 -4.675 1.567 -1.501 797 H LYS 91 H LYS 91 -5.596 6.938 1.398 798 HA LYS 91 HA LYS 91 -8.435 6.254 1.473 799 1HB LYS 91 2HB LYS 91 -6.771 8.256 3.044 800 2HB LYS 91 1HB LYS 91 -8.471 7.912 3.370 801 1HG LYS 91 2HG LYS 91 -7.885 5.515 3.731 802 2HG LYS 91 1HG LYS 91 -6.184 5.920 3.497 803 1HD LYS 91 2HD LYS 91 -7.870 7.335 5.569 804 2HD LYS 91 1HD LYS 91 -7.043 5.820 5.932 805 1HE LYS 91 2HE LYS 91 -4.905 6.921 5.103 806 2HE LYS 91 1HE LYS 91 -5.794 8.443 5.080 807 1HZ LYS 91 1HZ LYS 91 -6.397 7.568 7.511 808 2HZ LYS 91 2HZ LYS 91 -5.052 8.555 7.188 809 3HZ LYS 91 3HZ LYS 91 -4.859 6.873 7.341 810 H ALA 92 H ALA 92 -6.560 8.479 -0.220 811 HA ALA 92 HA ALA 92 -8.379 10.725 -0.295 812 1HB ALA 92 1HB ALA 92 -5.983 10.955 -0.825 813 2HB ALA 92 2HB ALA 92 -6.992 11.500 -2.165 814 3HB ALA 92 3HB ALA 92 -6.204 9.925 -2.240 815 H LEU 93 H LEU 93 -7.544 8.379 -2.893 816 HA LEU 93 HA LEU 93 -9.884 9.203 -4.410 817 1HB LEU 93 2HB LEU 93 -9.105 7.747 -6.116 818 2HB LEU 93 1HB LEU 93 -7.671 8.453 -5.390 819 HG LEU 93 HG LEU 93 -7.227 6.127 -5.705 820 1HD1 LEU 93 1HD1 LEU 93 -8.007 6.398 -2.798 821 2HD1 LEU 93 2HD1 LEU 93 -6.578 7.158 -3.500 822 3HD1 LEU 93 3HD1 LEU 93 -6.723 5.401 -3.482 823 1HD2 LEU 93 1HD2 LEU 93 -9.932 5.781 -5.514 824 2HD2 LEU 93 2HD2 LEU 93 -9.387 5.103 -3.980 825 3HD2 LEU 93 3HD2 LEU 93 -8.758 4.465 -5.499 826 H GLN 94 H GLN 94 -9.377 6.948 -1.905 827 HA GLN 94 HA GLN 94 -11.408 5.016 -2.630 828 1HB GLN 94 2HB GLN 94 -9.972 5.790 -0.106 829 2HB GLN 94 1HB GLN 94 -11.386 4.740 -0.006 830 1HG GLN 94 2HG GLN 94 -10.361 3.162 -1.579 831 2HG GLN 94 1HG GLN 94 -8.951 4.211 -1.743 832 1HE2 GLN 94 1HE2 GLN 94 -9.676 4.693 1.386 833 2HE2 GLN 94 2HE2 GLN 94 -8.777 3.437 2.112 834 H LYS 95 H LYS 95 -11.400 7.800 -0.383 835 HA LYS 95 HA LYS 95 -14.225 7.675 0.165 836 1HB LYS 95 2HB LYS 95 -12.242 9.961 0.444 837 2HB LYS 95 1HB LYS 95 -13.882 9.982 1.087 838 1HG LYS 95 2HG LYS 95 -13.317 7.912 2.407 839 2HG LYS 95 1HG LYS 95 -11.645 8.090 1.872 840 1HD LYS 95 2HD LYS 95 -11.513 10.305 2.907 841 2HD LYS 95 1HD LYS 95 -13.210 10.213 3.372 842 1HE LYS 95 2HE LYS 95 -12.151 9.547 5.342 843 2HE LYS 95 1HE LYS 95 -12.469 7.992 4.573 844 1HZ LYS 95 1HZ LYS 95 -10.115 8.608 3.496 845 2HZ LYS 95 2HZ LYS 95 -10.279 7.703 4.924 846 3HZ LYS 95 3HZ LYS 95 -9.947 9.368 5.004 847 H GLN 96 H GLN 96 -12.270 9.586 -2.122 848 HA GLN 96 HA GLN 96 -14.484 11.148 -3.105 849 1HB GLN 96 2HB GLN 96 -11.724 10.521 -4.154 850 2HB GLN 96 1HB GLN 96 -12.869 11.458 -5.112 851 1HG GLN 96 2HG GLN 96 -12.120 12.164 -2.262 852 2HG GLN 96 1HG GLN 96 -11.313 12.846 -3.674 853 1HE2 GLN 96 1HE2 GLN 96 -14.075 13.152 -1.624 854 2HE2 GLN 96 2HE2 GLN 96 -14.896 14.322 -2.538 855 H TYR 97 H TYR 97 -12.946 8.139 -4.192 856 HA TYR 97 HA TYR 97 -14.419 7.813 -6.613 857 1HB TYR 97 2HB TYR 97 -12.454 6.463 -6.190 858 2HB TYR 97 1HB TYR 97 -13.177 5.788 -4.730 859 HD1 TYR 97 1HD TYR 97 -14.423 3.794 -4.846 860 HD2 TYR 97 2HD TYR 97 -13.732 6.073 -8.423 861 HE1 TYR 97 1HE TYR 97 -15.479 1.998 -6.195 862 HE2 TYR 97 2HE TYR 97 -14.785 4.277 -9.769 863 HH TYR 97 HH TYR 97 -15.583 2.185 -9.742 864 H LEU 98 H LEU 98 -15.014 6.392 -3.376 865 HA LEU 98 HA LEU 98 -17.460 5.099 -4.066 866 1HB LEU 98 2HB LEU 98 -16.449 6.162 -1.417 867 2HB LEU 98 1HB LEU 98 -17.924 5.216 -1.575 868 HG LEU 98 HG LEU 98 -15.189 4.266 -2.484 869 1HD1 LEU 98 1HD1 LEU 98 -15.025 4.342 -0.132 870 2HD1 LEU 98 2HD1 LEU 98 -15.583 2.697 -0.441 871 3HD1 LEU 98 3HD1 LEU 98 -16.726 3.931 0.089 872 1HD2 LEU 98 1HD2 LEU 98 -16.737 2.993 -3.692 873 2HD2 LEU 98 2HD2 LEU 98 -17.957 3.088 -2.422 874 3HD2 LEU 98 3HD2 LEU 98 -16.563 2.027 -2.226 875 H GLU 99 H GLU 99 -16.811 8.361 -2.799 876 HA GLU 99 HA GLU 99 -19.565 9.138 -2.504 877 1HB GLU 99 2HB GLU 99 -17.010 10.716 -2.859 878 2HB GLU 99 1HB GLU 99 -18.581 11.491 -2.653 879 1HG GLU 99 2HG GLU 99 -18.896 10.384 -0.501 880 2HG GLU 99 1HG GLU 99 -17.393 9.485 -0.716 881 H GLU 100 H GLU 100 -17.258 9.410 -5.188 882 HA GLU 100 HA GLU 100 -19.084 10.931 -6.853 883 1HB GLU 100 2HB GLU 100 -17.343 11.074 -8.319 884 2HB GLU 100 1HB GLU 100 -16.420 10.562 -6.909 885 1HG GLU 100 2HG GLU 100 -15.697 9.071 -8.569 886 2HG GLU 100 1HG GLU 100 -16.944 8.142 -7.736 887 H THR 101 H THR 101 -18.823 7.605 -6.073 888 HA THR 101 HA THR 101 -20.146 6.724 -8.568 889 HB THR 101 HB THR 101 -20.171 4.488 -7.289 890 HG1 THR 101 1HG THR 101 -19.083 4.412 -5.434 891 1HG2 THR 101 1HG2 THR 101 -17.800 4.096 -7.774 892 2HG2 THR 101 2HG2 THR 101 -17.509 5.834 -7.829 893 3HG2 THR 101 3HG2 THR 101 -18.527 5.071 -9.051 894 H LEU 102 H LEU 102 -20.951 7.694 -5.334 895 HA LEU 102 HA LEU 102 -23.668 6.525 -5.501 896 1HB LEU 102 2HB LEU 102 -22.345 8.226 -3.357 897 2HB LEU 102 1HB LEU 102 -23.960 7.527 -3.236 898 HG LEU 102 HG LEU 102 -21.455 5.885 -3.698 899 1HD1 LEU 102 1HD1 LEU 102 -21.337 6.961 -1.498 900 2HD1 LEU 102 2HD1 LEU 102 -21.699 5.246 -1.304 901 3HD1 LEU 102 3HD1 LEU 102 -22.983 6.443 -1.138 902 1HD2 LEU 102 1HD2 LEU 102 -23.268 4.587 -4.411 903 2HD2 LEU 102 2HD2 LEU 102 -24.372 5.305 -3.237 904 3HD2 LEU 102 3HD2 LEU 102 -23.158 4.139 -2.710 905 H GLU 103 H GLU 103 -22.029 9.441 -6.261 906 HA GLU 103 HA GLU 103 -24.510 11.074 -6.207 907 1HB GLU 103 2HB GLU 103 -21.623 11.721 -6.874 908 2HB GLU 103 1HB GLU 103 -22.935 12.892 -6.974 909 1HG GLU 103 2HG GLU 103 -23.398 12.624 -4.588 910 2HG GLU 103 1HG GLU 103 -22.153 11.378 -4.465 911 H HIS 104 H HIS 104 -25.712 11.268 -7.986 912 HA HIS 104 HA HIS 104 -24.612 10.376 -10.617 913 1HB HIS 104 2HB HIS 104 -27.480 10.824 -9.676 914 2HB HIS 104 1HB HIS 104 -27.034 10.327 -11.308 915 HD1 HIS 104 1HD HIS 104 -25.550 7.995 -11.380 916 HD2 HIS 104 2HD HIS 104 -27.786 8.690 -7.925 917 HE1 HIS 104 1HE HIS 104 -25.842 5.745 -10.248 918 HE2 HIS 104 2HE HIS 104 -27.200 6.156 -8.147 919 H2 TSA 501 1H2 TSA 501 -4.421 -0.403 4.772 920 H3 TSA 501 1H3 TSA 501 -6.588 -0.359 5.995 921 H4 TSA 501 4H TSA 501 -8.480 0.926 5.072 922 HO5 TSA 501 HO5 TSA 501 -7.225 1.989 6.661 923 H5 TSA 501 5H TSA 501 -7.909 2.909 3.467 924 1H6 TSA 501 1H6 TSA 501 -5.827 2.612 2.089 925 2H6 TSA 501 2H6 TSA 501 -5.369 2.766 3.725 926 H8 TSA 501 8H TSA 501 -7.914 -0.209 0.940 927 1H9 TSA 501 1H9 TSA 501 -5.608 -1.069 1.868 928 2H9 TSA 501 2H9 TSA 501 -5.641 0.273 0.883 Start of MODEL 5 1 1H MET 1 1HT MET 1 -15.600 -14.412 -0.586 2 2H MET 1 2HT MET 1 -15.360 -12.826 -1.148 3 3H MET 1 3HT MET 1 -16.912 -13.518 -1.182 4 HA MET 1 HA MET 1 -16.923 -12.068 0.651 5 1HB MET 1 2HB MET 1 -16.389 -14.932 1.502 6 2HB MET 1 1HB MET 1 -17.027 -13.692 2.583 7 1HG MET 1 2HG MET 1 -18.968 -13.378 1.096 8 2HG MET 1 1HG MET 1 -18.328 -14.589 -0.013 9 1HE MET 1 1HE MET 1 -18.983 -14.053 3.828 10 2HE MET 1 2HE MET 1 -20.345 -15.150 4.041 11 3HE MET 1 3HE MET 1 -20.477 -13.802 2.915 12 H ILE 2 H ILE 2 -15.234 -10.625 0.942 13 HA ILE 2 HA ILE 2 -13.259 -9.752 1.865 14 HB ILE 2 HB ILE 2 -13.435 -12.259 3.569 15 1HG1 ILE 2 2HG1 ILE 2 -14.379 -9.453 4.220 16 2HG1 ILE 2 1HG1 ILE 2 -15.446 -10.698 3.572 17 1HG2 ILE 2 1HG2 ILE 2 -11.244 -11.341 3.800 18 2HG2 ILE 2 2HG2 ILE 2 -12.157 -10.752 5.189 19 3HG2 ILE 2 3HG2 ILE 2 -11.860 -9.688 3.815 20 1HD1 ILE 2 1HD1 ILE 2 -14.780 -12.174 5.497 21 2HD1 ILE 2 2HD1 ILE 2 -15.650 -10.720 5.984 22 3HD1 ILE 2 3HD1 ILE 2 -13.899 -10.805 6.174 23 H GLU 3 H GLU 3 -13.384 -12.793 0.351 24 HA GLU 3 HA GLU 3 -10.623 -13.579 0.469 25 1HB GLU 3 2HB GLU 3 -12.785 -14.093 -1.593 26 2HB GLU 3 1HB GLU 3 -11.189 -14.841 -1.650 27 1HG GLU 3 2HG GLU 3 -11.550 -15.872 0.533 28 2HG GLU 3 1HG GLU 3 -13.108 -15.060 0.688 29 H LYS 4 H LYS 4 -12.447 -11.646 -1.912 30 HA LYS 4 HA LYS 4 -10.239 -11.136 -3.660 31 1HB LYS 4 2HB LYS 4 -12.783 -9.565 -3.126 32 2HB LYS 4 1HB LYS 4 -11.654 -9.187 -4.427 33 1HG LYS 4 2HG LYS 4 -11.966 -11.443 -5.371 34 2HG LYS 4 1HG LYS 4 -13.085 -11.840 -4.066 35 1HD LYS 4 2HD LYS 4 -14.572 -9.988 -4.796 36 2HD LYS 4 1HD LYS 4 -13.467 -9.644 -6.126 37 1HE LYS 4 2HE LYS 4 -14.783 -12.341 -5.712 38 2HE LYS 4 1HE LYS 4 -15.445 -11.087 -6.761 39 1HZ LYS 4 1HZ LYS 4 -13.951 -11.530 -8.332 40 2HZ LYS 4 2HZ LYS 4 -13.612 -12.961 -7.482 41 3HZ LYS 4 3HZ LYS 4 -12.662 -11.575 -7.232 42 H LEU 5 H LEU 5 -11.480 -9.380 -0.833 43 HA LEU 5 HA LEU 5 -9.804 -7.078 -1.012 44 1HB LEU 5 2HB LEU 5 -11.776 -7.318 0.499 45 2HB LEU 5 1HB LEU 5 -10.858 -8.463 1.473 46 HG LEU 5 HG LEU 5 -9.508 -5.872 0.973 47 1HD1 LEU 5 1HD1 LEU 5 -11.746 -5.012 1.292 48 2HD1 LEU 5 2HD1 LEU 5 -10.877 -4.803 2.813 49 3HD1 LEU 5 3HD1 LEU 5 -12.035 -6.121 2.634 50 1HD2 LEU 5 1HD2 LEU 5 -8.584 -7.615 2.462 51 2HD2 LEU 5 2HD2 LEU 5 -10.050 -7.562 3.442 52 3HD2 LEU 5 3HD2 LEU 5 -8.978 -6.163 3.381 53 H ALA 6 H ALA 6 -9.237 -10.312 0.246 54 HA ALA 6 HA ALA 6 -6.756 -9.669 1.597 55 1HB ALA 6 1HB ALA 6 -7.984 -11.623 2.292 56 2HB ALA 6 2HB ALA 6 -6.459 -12.171 1.596 57 3HB ALA 6 3HB ALA 6 -7.948 -12.288 0.661 58 H GLU 7 H GLU 7 -7.334 -11.611 -1.376 59 HA GLU 7 HA GLU 7 -4.638 -11.804 -2.163 60 1HB GLU 7 2HB GLU 7 -7.125 -11.625 -3.882 61 2HB GLU 7 1HB GLU 7 -5.536 -12.099 -4.484 62 1HG GLU 7 2HG GLU 7 -6.959 -13.509 -2.210 63 2HG GLU 7 1HG GLU 7 -7.022 -14.044 -3.889 64 H ILE 8 H ILE 8 -6.952 -9.178 -2.722 65 HA ILE 8 HA ILE 8 -5.370 -7.687 -4.580 66 HB ILE 8 HB ILE 8 -7.467 -6.848 -2.573 67 1HG1 ILE 8 2HG1 ILE 8 -7.573 -6.921 -5.599 68 2HG1 ILE 8 1HG1 ILE 8 -8.057 -8.289 -4.595 69 1HG2 ILE 8 1HG2 ILE 8 -7.389 -4.805 -4.348 70 2HG2 ILE 8 2HG2 ILE 8 -5.680 -5.241 -4.315 71 3HG2 ILE 8 3HG2 ILE 8 -6.505 -4.788 -2.823 72 1HD1 ILE 8 1HD1 ILE 8 -10.042 -6.990 -5.108 73 2HD1 ILE 8 2HD1 ILE 8 -9.257 -5.504 -4.571 74 3HD1 ILE 8 3HD1 ILE 8 -9.660 -6.762 -3.402 75 H ARG 9 H ARG 9 -5.584 -7.504 -1.016 76 HA ARG 9 HA ARG 9 -3.666 -5.362 -0.787 77 1HB ARG 9 2HB ARG 9 -4.724 -7.413 1.188 78 2HB ARG 9 1HB ARG 9 -3.563 -6.166 1.646 79 1HG ARG 9 2HG ARG 9 -5.176 -4.447 0.703 80 2HG ARG 9 1HG ARG 9 -6.365 -5.742 0.550 81 1HD ARG 9 2HD ARG 9 -6.236 -6.175 2.962 82 2HD ARG 9 1HD ARG 9 -4.976 -4.955 3.124 83 HE ARG 9 HE ARG 9 -7.048 -3.517 2.027 84 1HH1 ARG 9 1HH2 ARG 9 -6.829 -5.776 4.621 85 2HH1 ARG 9 2HH2 ARG 9 -7.867 -4.872 5.678 86 1HH2 ARG 9 1HH1 ARG 9 -8.491 -2.372 3.358 87 2HH2 ARG 9 2HH1 ARG 9 -8.793 -2.935 4.969 88 H LYS 10 H LYS 10 -3.373 -8.796 -1.239 89 HA LYS 10 HA LYS 10 -0.651 -9.069 -0.292 90 1HB LYS 10 2HB LYS 10 -2.352 -10.684 -2.220 91 2HB LYS 10 1HB LYS 10 -0.698 -11.138 -1.809 92 1HG LYS 10 2HG LYS 10 -1.367 -11.137 0.619 93 2HG LYS 10 1HG LYS 10 -3.034 -10.861 0.108 94 1HD LYS 10 2HD LYS 10 -2.971 -12.951 -1.217 95 2HD LYS 10 1HD LYS 10 -1.315 -13.234 -0.680 96 1HE LYS 10 2HE LYS 10 -2.097 -13.293 1.670 97 2HE LYS 10 1HE LYS 10 -3.754 -13.048 1.117 98 1HZ LYS 10 1HZ LYS 10 -2.782 -15.440 1.531 99 2HZ LYS 10 2HZ LYS 10 -2.225 -15.246 -0.063 100 3HZ LYS 10 3HZ LYS 10 -3.886 -15.140 0.277 101 H LYS 11 H LYS 11 -2.177 -8.106 -3.329 102 HA LYS 11 HA LYS 11 0.150 -8.110 -4.989 103 1HB LYS 11 2HB LYS 11 -2.146 -6.121 -5.111 104 2HB LYS 11 1HB LYS 11 -1.070 -6.575 -6.430 105 1HG LYS 11 2HG LYS 11 -1.926 -8.915 -6.278 106 2HG LYS 11 1HG LYS 11 -3.064 -8.388 -5.037 107 1HD LYS 11 2HD LYS 11 -4.193 -8.416 -7.206 108 2HD LYS 11 1HD LYS 11 -4.018 -6.748 -6.661 109 1HE LYS 11 2HE LYS 11 -1.798 -7.852 -8.306 110 2HE LYS 11 1HE LYS 11 -3.318 -7.532 -9.139 111 1HZ LYS 11 1HZ LYS 11 -3.138 -5.316 -8.819 112 2HZ LYS 11 2HZ LYS 11 -1.479 -5.677 -8.761 113 3HZ LYS 11 3HZ LYS 11 -2.357 -5.466 -7.322 114 H ILE 12 H ILE 12 -1.205 -5.695 -2.765 115 HA ILE 12 HA ILE 12 0.650 -3.594 -3.279 116 HB ILE 12 HB ILE 12 -1.002 -4.394 -0.887 117 1HG1 ILE 12 2HG1 ILE 12 -2.076 -2.211 -1.347 118 2HG1 ILE 12 1HG1 ILE 12 -0.941 -1.932 -2.668 119 1HG2 ILE 12 1HG2 ILE 12 -0.206 -2.121 0.065 120 2HG2 ILE 12 2HG2 ILE 12 1.167 -2.302 -1.029 121 3HG2 ILE 12 3HG2 ILE 12 0.878 -3.503 0.230 122 1HD1 ILE 12 1HD1 ILE 12 -2.547 -4.462 -2.644 123 2HD1 ILE 12 2HD1 ILE 12 -1.902 -3.565 -4.017 124 3HD1 ILE 12 3HD1 ILE 12 -3.322 -2.965 -3.159 125 H ASP 13 H ASP 13 0.820 -6.479 -1.264 126 HA ASP 13 HA ASP 13 3.154 -5.904 0.227 127 1HB ASP 13 2HB ASP 13 1.583 -7.936 0.402 128 2HB ASP 13 1HB ASP 13 2.515 -8.632 -0.921 129 H GLU 14 H GLU 14 2.796 -7.305 -3.030 130 HA GLU 14 HA GLU 14 5.592 -7.697 -3.518 131 1HB GLU 14 2HB GLU 14 3.274 -7.196 -5.407 132 2HB GLU 14 1HB GLU 14 4.897 -7.615 -5.950 133 1HG GLU 14 2HG GLU 14 4.798 -9.725 -4.702 134 2HG GLU 14 1HG GLU 14 3.202 -9.301 -4.082 135 H ILE 15 H ILE 15 3.460 -4.911 -3.791 136 HA ILE 15 HA ILE 15 5.434 -3.253 -5.171 137 HB ILE 15 HB ILE 15 2.758 -2.733 -3.876 138 1HG1 ILE 15 2HG1 ILE 15 2.438 -1.770 -6.274 139 2HG1 ILE 15 1HG1 ILE 15 3.916 -2.652 -6.661 140 1HG2 ILE 15 1HG2 ILE 15 3.883 -0.762 -3.251 141 2HG2 ILE 15 2HG2 ILE 15 3.158 -0.334 -4.802 142 3HG2 ILE 15 3HG2 ILE 15 4.869 -0.754 -4.713 143 1HD1 ILE 15 1HD1 ILE 15 1.417 -3.872 -5.442 144 2HD1 ILE 15 2HD1 ILE 15 2.890 -4.745 -5.865 145 3HD1 ILE 15 3HD1 ILE 15 1.901 -4.018 -7.132 146 H ASP 16 H ASP 16 4.282 -3.662 -1.843 147 HA ASP 16 HA ASP 16 5.654 -1.512 -0.626 148 1HB ASP 16 2HB ASP 16 4.904 -4.264 0.400 149 2HB ASP 16 1HB ASP 16 5.603 -3.023 1.438 150 H ASN 17 H ASN 17 6.753 -4.893 -1.044 151 HA ASN 17 HA ASN 17 9.398 -4.437 -0.042 152 1HB ASN 17 2HB ASN 17 8.285 -6.691 -0.391 153 2HB ASN 17 1HB ASN 17 8.585 -6.483 -2.115 154 1HD2 ASN 17 1HD2 ASN 17 10.260 -6.727 1.043 155 2HD2 ASN 17 2HD2 ASN 17 11.752 -7.232 0.393 156 H LYS 18 H LYS 18 7.956 -4.128 -3.245 157 HA LYS 18 HA LYS 18 10.335 -3.875 -4.784 158 1HB LYS 18 2HB LYS 18 8.008 -4.135 -5.692 159 2HB LYS 18 1HB LYS 18 7.696 -2.456 -5.256 160 1HG LYS 18 2HG LYS 18 9.530 -1.722 -6.735 161 2HG LYS 18 1HG LYS 18 9.859 -3.403 -7.165 162 1HD LYS 18 2HD LYS 18 7.519 -3.599 -8.027 163 2HD LYS 18 1HD LYS 18 7.285 -1.883 -7.695 164 1HE LYS 18 2HE LYS 18 9.551 -2.860 -9.437 165 2HE LYS 18 1HE LYS 18 7.952 -2.520 -10.100 166 1HZ LYS 18 1HZ LYS 18 8.888 -0.479 -10.314 167 2HZ LYS 18 2HZ LYS 18 9.944 -0.685 -8.999 168 3HZ LYS 18 3HZ LYS 18 8.307 -0.312 -8.729 169 H ILE 19 H ILE 19 8.421 -1.365 -3.094 170 HA ILE 19 HA ILE 19 10.128 0.797 -3.998 171 HB ILE 19 HB ILE 19 7.849 1.275 -3.341 172 1HG1 ILE 19 2HG1 ILE 19 10.015 2.749 -2.599 173 2HG1 ILE 19 1HG1 ILE 19 8.350 3.274 -2.357 174 1HG2 ILE 19 1HG2 ILE 19 7.272 1.082 -0.860 175 2HG2 ILE 19 2HG2 ILE 19 8.706 0.067 -0.706 176 3HG2 ILE 19 3HG2 ILE 19 7.375 -0.437 -1.751 177 1HD1 ILE 19 1HD1 ILE 19 8.342 2.543 -0.087 178 2HD1 ILE 19 2HD1 ILE 19 9.867 3.402 -0.303 179 3HD1 ILE 19 3HD1 ILE 19 9.842 1.639 -0.297 180 H LEU 20 H LEU 20 10.218 -1.424 -1.286 181 HA LEU 20 HA LEU 20 12.106 0.128 0.289 182 1HB LEU 20 2HB LEU 20 11.328 -2.803 0.311 183 2HB LEU 20 1HB LEU 20 12.492 -2.112 1.438 184 HG LEU 20 HG LEU 20 9.646 -1.113 1.107 185 1HD1 LEU 20 1HD1 LEU 20 10.826 -2.809 3.326 186 2HD1 LEU 20 2HD1 LEU 20 9.835 -3.453 2.018 187 3HD1 LEU 20 3HD1 LEU 20 9.146 -2.302 3.162 188 1HD2 LEU 20 1HD2 LEU 20 10.760 0.672 2.080 189 2HD2 LEU 20 2HD2 LEU 20 11.999 -0.356 2.799 190 3HD2 LEU 20 3HD2 LEU 20 10.395 -0.265 3.529 191 H LYS 21 H LYS 21 12.328 -2.086 -2.405 192 HA LYS 21 HA LYS 21 15.293 -1.759 -2.357 193 1HB LYS 21 2HB LYS 21 14.722 -4.011 -1.465 194 2HB LYS 21 1HB LYS 21 13.845 -4.360 -2.955 195 1HG LYS 21 2HG LYS 21 15.910 -4.085 -4.259 196 2HG LYS 21 1HG LYS 21 16.796 -3.668 -2.792 197 1HD LYS 21 2HD LYS 21 16.273 -5.897 -1.851 198 2HD LYS 21 1HD LYS 21 15.424 -6.318 -3.338 199 1HE LYS 21 2HE LYS 21 17.501 -6.026 -4.625 200 2HE LYS 21 1HE LYS 21 18.355 -5.559 -3.155 201 1HZ LYS 21 1HZ LYS 21 17.605 -7.783 -2.250 202 2HZ LYS 21 2HZ LYS 21 18.813 -7.815 -3.444 203 3HZ LYS 21 3HZ LYS 21 17.207 -8.194 -3.846 204 H ALA 22 H ALA 22 16.073 -1.147 -4.334 205 HA ALA 22 HA ALA 22 14.480 -1.788 -6.756 206 1HB ALA 22 1HB ALA 22 14.700 0.553 -7.555 207 2HB ALA 22 2HB ALA 22 15.424 0.996 -6.008 208 3HB ALA 22 3HB ALA 22 13.748 0.448 -6.074 209 H ARG 23 H ARG 23 15.945 -2.955 -7.919 210 HA ARG 23 HA ARG 23 18.815 -2.319 -7.760 211 1HB ARG 23 2HB ARG 23 17.253 -4.454 -9.251 212 2HB ARG 23 1HB ARG 23 19.005 -4.280 -9.358 213 1HG ARG 23 2HG ARG 23 19.205 -4.598 -6.921 214 2HG ARG 23 1HG ARG 23 17.449 -4.720 -6.786 215 1HD ARG 23 2HD ARG 23 17.466 -6.744 -8.200 216 2HD ARG 23 1HD ARG 23 19.219 -6.623 -8.382 217 HE ARG 23 HE ARG 23 18.831 -6.707 -5.630 218 1HH1 ARG 23 1HH2 ARG 23 17.882 -8.627 -8.334 219 2HH1 ARG 23 2HH2 ARG 23 17.873 -10.111 -7.442 220 1HH2 ARG 23 1HH1 ARG 23 18.818 -8.656 -4.451 221 2HH2 ARG 23 2HH1 ARG 23 18.408 -10.133 -5.260 222 H TRP 24 H TRP 24 16.782 -2.965 -10.637 223 HA TRP 24 HA TRP 24 18.383 -0.955 -12.117 224 1HB TRP 24 2HB TRP 24 16.231 -2.437 -13.517 225 2HB TRP 24 1HB TRP 24 17.894 -2.130 -14.011 226 HD1 TRP 24 HD TRP 24 19.563 -3.467 -11.819 227 HE1 TRP 24 1HE TRP 24 19.488 -6.013 -11.406 228 HE3 TRP 24 3HE TRP 24 15.076 -4.578 -13.982 229 HZ2 TRP 24 2HZ TRP 24 17.748 -8.229 -11.927 230 HZ3 TRP 24 3HZ TRP 24 14.232 -6.907 -14.011 231 HH2 TRP 24 HH TRP 24 15.560 -8.733 -12.987 232 HA PRO 25 HA PRO 25 13.639 0.337 -12.611 233 1HB PRO 25 2HB PRO 25 12.862 -0.348 -9.807 234 2HB PRO 25 1HB PRO 25 11.915 -0.476 -11.304 235 1HG PRO 25 2HG PRO 25 12.896 -2.641 -10.179 236 2HG PRO 25 1HG PRO 25 12.952 -2.451 -11.941 237 1HD PRO 25 2HD PRO 25 15.176 -2.097 -9.941 238 2HD PRO 25 1HD PRO 25 15.217 -2.873 -11.539 239 H TRP 26 H TRP 26 13.212 2.513 -12.249 240 HA TRP 26 HA TRP 26 14.975 3.951 -10.413 241 1HB TRP 26 2HB TRP 26 12.791 4.841 -12.310 242 2HB TRP 26 1HB TRP 26 13.692 5.964 -11.290 243 HD1 TRP 26 HD TRP 26 13.957 3.916 -14.432 244 HE1 TRP 26 1HE TRP 26 16.242 4.340 -15.549 245 HE3 TRP 26 3HE TRP 26 16.272 6.540 -10.719 246 HZ2 TRP 26 2HZ TRP 26 18.727 5.627 -14.941 247 HZ3 TRP 26 3HZ TRP 26 18.593 7.354 -11.010 248 HH2 TRP 26 HH TRP 26 19.823 6.901 -13.115 249 H ALA 27 H ALA 27 12.169 2.284 -9.924 250 HA ALA 27 HA ALA 27 10.611 2.291 -8.172 251 1HB ALA 27 1HB ALA 27 11.331 3.128 -6.103 252 2HB ALA 27 2HB ALA 27 12.194 4.479 -6.840 253 3HB ALA 27 3HB ALA 27 12.855 2.847 -6.943 254 H GLU 28 H GLU 28 9.733 3.672 -10.282 255 HA GLU 28 HA GLU 28 9.197 6.431 -10.044 256 1HB GLU 28 2HB GLU 28 7.210 5.984 -11.469 257 2HB GLU 28 1HB GLU 28 8.645 5.154 -12.070 258 1HG GLU 28 2HG GLU 28 7.912 3.082 -10.920 259 2HG GLU 28 1HG GLU 28 6.457 3.916 -10.374 260 H LYS 29 H LYS 29 6.542 6.925 -9.851 261 HA LYS 29 HA LYS 29 6.067 6.730 -6.994 262 1HB LYS 29 2HB LYS 29 4.317 7.729 -9.265 263 2HB LYS 29 1HB LYS 29 3.900 7.869 -7.557 264 1HG LYS 29 2HG LYS 29 5.957 9.177 -7.160 265 2HG LYS 29 1HG LYS 29 6.365 9.051 -8.872 266 1HD LYS 29 2HD LYS 29 4.289 10.238 -9.466 267 2HD LYS 29 1HD LYS 29 3.857 10.344 -7.759 268 1HE LYS 29 2HE LYS 29 5.876 11.675 -7.316 269 2HE LYS 29 1HE LYS 29 6.338 11.557 -9.013 270 1HZ LYS 29 1HZ LYS 29 4.958 13.581 -8.054 271 2HZ LYS 29 2HZ LYS 29 3.661 12.551 -8.430 272 3HZ LYS 29 3HZ LYS 29 4.756 13.020 -9.642 273 H LEU 30 H LEU 30 4.755 5.284 -5.915 274 HA LEU 30 HA LEU 30 3.658 3.055 -7.528 275 1HB LEU 30 2HB LEU 30 4.227 3.408 -4.581 276 2HB LEU 30 1HB LEU 30 3.253 2.065 -5.174 277 HG LEU 30 HG LEU 30 5.697 1.511 -4.914 278 1HD1 LEU 30 1HD1 LEU 30 5.649 0.114 -6.752 279 2HD1 LEU 30 2HD1 LEU 30 5.131 1.398 -7.845 280 3HD1 LEU 30 3HD1 LEU 30 3.964 0.640 -6.762 281 1HD2 LEU 30 1HD2 LEU 30 7.326 2.517 -6.325 282 2HD2 LEU 30 2HD2 LEU 30 6.369 3.873 -5.729 283 3HD2 LEU 30 3HD2 LEU 30 6.096 3.249 -7.356 284 H ILE 31 H ILE 31 2.494 5.923 -6.956 285 HA ILE 31 HA ILE 31 0.053 5.556 -5.504 286 HB ILE 31 HB ILE 31 0.761 7.483 -7.739 287 1HG1 ILE 31 2HG1 ILE 31 0.498 7.962 -4.758 288 2HG1 ILE 31 1HG1 ILE 31 2.033 7.581 -5.537 289 1HG2 ILE 31 1HG2 ILE 31 -1.667 7.284 -5.943 290 2HG2 ILE 31 2HG2 ILE 31 -1.626 7.356 -7.705 291 3HG2 ILE 31 3HG2 ILE 31 -1.210 8.782 -6.754 292 1HD1 ILE 31 1HD1 ILE 31 0.249 9.948 -6.184 293 2HD1 ILE 31 2HD1 ILE 31 1.751 9.554 -7.021 294 3HD1 ILE 31 3HD1 ILE 31 1.784 10.014 -5.318 295 H ALA 32 H ALA 32 0.828 5.222 -8.965 296 HA ALA 32 HA ALA 32 -1.739 4.775 -9.999 297 1HB ALA 32 1HB ALA 32 -0.559 3.294 -11.688 298 2HB ALA 32 2HB ALA 32 0.910 3.506 -10.734 299 3HB ALA 32 3HB ALA 32 0.143 4.902 -11.494 300 H GLU 33 H GLU 33 0.457 2.014 -9.438 301 HA GLU 33 HA GLU 33 -1.534 0.039 -9.366 302 1HB GLU 33 2HB GLU 33 1.096 0.146 -7.853 303 2HB GLU 33 1HB GLU 33 0.117 -1.308 -8.037 304 1HG GLU 33 2HG GLU 33 1.223 0.316 -10.346 305 2HG GLU 33 1HG GLU 33 1.957 -1.162 -9.722 306 H ARG 34 H ARG 34 -0.079 1.721 -6.548 307 HA ARG 34 HA ARG 34 -1.688 0.534 -4.550 308 1HB ARG 34 2HB ARG 34 0.237 1.979 -4.016 309 2HB ARG 34 1HB ARG 34 -0.611 3.371 -4.674 310 1HG ARG 34 2HG ARG 34 -0.860 3.462 -2.269 311 2HG ARG 34 1HG ARG 34 -2.416 2.978 -2.947 312 1HD ARG 34 2HD ARG 34 -2.325 0.983 -1.959 313 2HD ARG 34 1HD ARG 34 -0.689 0.699 -2.474 314 HE ARG 34 HE ARG 34 -0.433 2.481 -0.310 315 1HH1 ARG 34 1HH2 ARG 34 -2.142 -0.420 -0.979 316 2HH1 ARG 34 2HH2 ARG 34 -2.004 -1.033 0.634 317 1HH2 ARG 34 1HH1 ARG 34 -0.209 1.693 1.823 318 2HH2 ARG 34 2HH1 ARG 34 -0.920 0.156 2.212 319 H ASN 35 H ASN 35 -2.305 3.438 -6.520 320 HA ASN 35 HA ASN 35 -4.787 4.124 -5.311 321 1HB ASN 35 2HB ASN 35 -3.683 5.705 -6.803 322 2HB ASN 35 1HB ASN 35 -3.779 4.555 -8.141 323 1HD2 ASN 35 1HD2 ASN 35 -5.242 7.290 -7.014 324 2HD2 ASN 35 2HD2 ASN 35 -6.816 7.056 -7.623 325 H SER 36 H SER 36 -4.086 2.098 -8.178 326 HA SER 36 HA SER 36 -6.662 1.431 -8.996 327 1HB SER 36 2HB SER 36 -4.995 0.430 -10.281 328 2HB SER 36 1HB SER 36 -4.088 -0.112 -8.873 329 HG SER 36 HG SER 36 -5.198 -1.890 -8.899 330 H LEU 37 H LEU 37 -5.066 -1.190 -7.290 331 HA LEU 37 HA LEU 37 -7.085 -2.552 -6.175 332 1HB LEU 37 2HB LEU 37 -4.788 -1.553 -4.468 333 2HB LEU 37 1HB LEU 37 -5.780 -2.967 -4.137 334 HG LEU 37 HG LEU 37 -3.926 -3.946 -5.123 335 1HD1 LEU 37 1HD1 LEU 37 -5.497 -3.229 -7.605 336 2HD1 LEU 37 2HD1 LEU 37 -6.023 -4.446 -6.441 337 3HD1 LEU 37 3HD1 LEU 37 -4.520 -4.673 -7.337 338 1HD2 LEU 37 1HD2 LEU 37 -3.723 -1.835 -7.264 339 2HD2 LEU 37 2HD2 LEU 37 -2.476 -2.939 -6.680 340 3HD2 LEU 37 3HD2 LEU 37 -3.003 -1.590 -5.673 341 H ALA 38 H ALA 38 -5.931 0.530 -4.796 342 HA ALA 38 HA ALA 38 -7.613 0.732 -2.571 343 1HB ALA 38 1HB ALA 38 -5.779 2.354 -3.541 344 2HB ALA 38 2HB ALA 38 -7.066 2.983 -2.512 345 3HB ALA 38 3HB ALA 38 -7.170 3.161 -4.263 346 H LYS 39 H LYS 39 -8.355 1.758 -5.909 347 HA LYS 39 HA LYS 39 -11.012 2.683 -5.290 348 1HB LYS 39 2HB LYS 39 -9.916 3.440 -7.313 349 2HB LYS 39 1HB LYS 39 -9.740 1.782 -7.886 350 1HG LYS 39 2HG LYS 39 -12.482 2.802 -7.234 351 2HG LYS 39 1HG LYS 39 -11.736 3.273 -8.762 352 1HD LYS 39 2HD LYS 39 -11.215 0.565 -8.658 353 2HD LYS 39 1HD LYS 39 -12.821 0.673 -7.938 354 1HE LYS 39 2HE LYS 39 -12.990 0.396 -10.377 355 2HE LYS 39 1HE LYS 39 -13.603 1.977 -9.892 356 1HZ LYS 39 1HZ LYS 39 -10.768 1.733 -10.594 357 2HZ LYS 39 2HZ LYS 39 -11.822 3.052 -10.789 358 3HZ LYS 39 3HZ LYS 39 -11.907 1.728 -11.851 359 H ASP 40 H ASP 40 -9.889 -0.343 -6.852 360 HA ASP 40 HA ASP 40 -12.460 -1.535 -7.068 361 1HB ASP 40 2HB ASP 40 -9.664 -2.669 -6.888 362 2HB ASP 40 1HB ASP 40 -11.074 -3.719 -7.042 363 H VAL 41 H VAL 41 -10.069 -1.612 -4.437 364 HA VAL 41 HA VAL 41 -11.491 -3.513 -2.814 365 HB VAL 41 HB VAL 41 -9.543 -1.335 -1.995 366 1HG1 VAL 41 1HG1 VAL 41 -10.493 -2.007 0.022 367 2HG1 VAL 41 2HG1 VAL 41 -9.177 -3.171 -0.134 368 3HG1 VAL 41 3HG1 VAL 41 -10.822 -3.639 -0.561 369 1HG2 VAL 41 1HG2 VAL 41 -7.812 -2.806 -2.444 370 2HG2 VAL 41 2HG2 VAL 41 -8.943 -3.291 -3.706 371 3HG2 VAL 41 3HG2 VAL 41 -8.824 -4.234 -2.220 372 H ALA 42 H ALA 42 -11.457 0.033 -2.956 373 HA ALA 42 HA ALA 42 -13.027 0.693 -0.758 374 1HB ALA 42 1HB ALA 42 -12.059 2.152 -2.752 375 2HB ALA 42 2HB ALA 42 -13.437 2.722 -1.814 376 3HB ALA 42 3HB ALA 42 -13.694 1.970 -3.389 377 H GLU 43 H GLU 43 -14.188 -0.328 -3.974 378 HA GLU 43 HA GLU 43 -16.962 -0.299 -3.471 379 1HB GLU 43 2HB GLU 43 -15.949 -0.773 -5.692 380 2HB GLU 43 1HB GLU 43 -15.400 -2.337 -5.095 381 1HG GLU 43 2HG GLU 43 -17.721 -3.027 -4.695 382 2HG GLU 43 1HG GLU 43 -18.294 -1.443 -5.217 383 H ILE 44 H ILE 44 -14.806 -3.152 -3.220 384 HA ILE 44 HA ILE 44 -16.573 -4.917 -1.964 385 HB ILE 44 HB ILE 44 -13.663 -4.628 -1.199 386 1HG1 ILE 44 2HG1 ILE 44 -13.712 -4.633 -3.610 387 2HG1 ILE 44 1HG1 ILE 44 -13.265 -6.258 -3.091 388 1HG2 ILE 44 1HG2 ILE 44 -13.766 -6.938 -0.656 389 2HG2 ILE 44 2HG2 ILE 44 -15.315 -7.142 -1.477 390 3HG2 ILE 44 3HG2 ILE 44 -15.229 -6.234 0.034 391 1HD1 ILE 44 1HD1 ILE 44 -15.790 -6.786 -3.233 392 2HD1 ILE 44 2HD1 ILE 44 -14.905 -6.623 -4.750 393 3HD1 ILE 44 3HD1 ILE 44 -15.915 -5.298 -4.171 394 H LYS 45 H LYS 45 -14.655 -2.308 -0.510 395 HA LYS 45 HA LYS 45 -15.130 -2.930 2.227 396 1HB LYS 45 2HB LYS 45 -14.619 -0.315 0.786 397 2HB LYS 45 1HB LYS 45 -14.841 -0.384 2.534 398 1HG LYS 45 2HG LYS 45 -12.892 -2.289 1.301 399 2HG LYS 45 1HG LYS 45 -12.415 -0.597 1.443 400 1HD LYS 45 2HD LYS 45 -13.154 -0.738 3.890 401 2HD LYS 45 1HD LYS 45 -13.225 -2.486 3.665 402 1HE LYS 45 2HE LYS 45 -11.045 -2.044 4.533 403 2HE LYS 45 1HE LYS 45 -10.816 -2.329 2.808 404 1HZ LYS 45 1HZ LYS 45 -11.380 0.391 3.212 405 2HZ LYS 45 2HZ LYS 45 -9.955 -0.315 2.613 406 3HZ LYS 45 3HZ LYS 45 -10.143 -0.057 4.282 407 H ASN 46 H ASN 46 -16.981 -0.906 -0.044 408 HA ASN 46 HA ASN 46 -19.015 -0.092 1.784 409 1HB ASN 46 2HB ASN 46 -18.659 0.922 -0.456 410 2HB ASN 46 1HB ASN 46 -19.216 -0.573 -1.206 411 1HD2 ASN 46 1HD2 ASN 46 -21.282 -0.156 -1.999 412 2HD2 ASN 46 2HD2 ASN 46 -22.522 0.604 -1.124 413 H GLN 47 H GLN 47 -18.680 -2.943 -0.295 414 HA GLN 47 HA GLN 47 -21.299 -4.006 0.342 415 1HB GLN 47 2HB GLN 47 -20.776 -5.548 -1.231 416 2HB GLN 47 1HB GLN 47 -19.302 -4.619 -1.498 417 1HG GLN 47 2HG GLN 47 -18.210 -5.971 0.324 418 2HG GLN 47 1HG GLN 47 -19.652 -6.984 0.358 419 1HE2 GLN 47 1HE2 GLN 47 -19.270 -5.922 -2.805 420 2HE2 GLN 47 2HE2 GLN 47 -18.424 -7.254 -3.431 421 H LEU 48 H LEU 48 -18.406 -3.743 2.093 422 HA LEU 48 HA LEU 48 -18.992 -6.104 3.801 423 1HB LEU 48 2HB LEU 48 -16.682 -4.152 3.652 424 2HB LEU 48 1HB LEU 48 -16.894 -5.217 5.040 425 HG LEU 48 HG LEU 48 -16.960 -6.383 2.272 426 1HD1 LEU 48 1HD1 LEU 48 -14.551 -5.431 3.819 427 2HD1 LEU 48 2HD1 LEU 48 -14.917 -5.206 2.109 428 3HD1 LEU 48 3HD1 LEU 48 -14.429 -6.793 2.705 429 1HD2 LEU 48 1HD2 LEU 48 -17.477 -7.616 4.501 430 2HD2 LEU 48 2HD2 LEU 48 -15.742 -7.506 4.799 431 3HD2 LEU 48 3HD2 LEU 48 -16.340 -8.382 3.390 432 H GLY 49 H GLY 49 -19.888 -2.902 3.543 433 1HA GLY 49 2HA GLY 49 -20.955 -1.411 4.997 434 2HA GLY 49 1HA GLY 49 -21.383 -2.834 5.940 435 H ILE 50 H ILE 50 -18.360 -0.970 5.300 436 HA ILE 50 HA ILE 50 -18.116 -0.559 8.223 437 HB ILE 50 HB ILE 50 -15.913 -1.448 8.409 438 1HG1 ILE 50 2HG1 ILE 50 -14.947 -0.726 6.314 439 2HG1 ILE 50 1HG1 ILE 50 -14.774 -2.478 6.404 440 1HG2 ILE 50 1HG2 ILE 50 -17.490 -3.391 6.700 441 2HG2 ILE 50 2HG2 ILE 50 -17.796 -3.095 8.413 442 3HG2 ILE 50 3HG2 ILE 50 -16.261 -3.797 7.900 443 1HD1 ILE 50 1HD1 ILE 50 -16.676 -0.853 4.728 444 2HD1 ILE 50 2HD1 ILE 50 -17.058 -2.527 5.135 445 3HD1 ILE 50 3HD1 ILE 50 -15.594 -2.153 4.226 446 HA PRO 51 HA PRO 51 -16.478 3.381 7.190 447 1HB PRO 51 2HB PRO 51 -14.202 2.840 9.049 448 2HB PRO 51 1HB PRO 51 -15.378 4.172 9.059 449 1HG PRO 51 2HG PRO 51 -15.599 2.263 10.836 450 2HG PRO 51 1HG PRO 51 -17.051 2.846 9.997 451 1HD PRO 51 2HD PRO 51 -15.444 0.351 9.429 452 2HD PRO 51 1HD PRO 51 -17.204 0.522 9.597 453 H ILE 52 H ILE 52 -15.112 4.292 5.689 454 HA ILE 52 HA ILE 52 -13.367 2.630 4.131 455 HB ILE 52 HB ILE 52 -13.459 5.663 4.278 456 1HG1 ILE 52 2HG1 ILE 52 -14.986 3.754 2.481 457 2HG1 ILE 52 1HG1 ILE 52 -15.682 4.613 3.855 458 1HG2 ILE 52 1HG2 ILE 52 -12.576 3.788 2.059 459 2HG2 ILE 52 2HG2 ILE 52 -11.487 4.708 3.100 460 3HG2 ILE 52 3HG2 ILE 52 -12.571 5.552 1.994 461 1HD1 ILE 52 1HD1 ILE 52 -15.269 6.752 2.820 462 2HD1 ILE 52 2HD1 ILE 52 -16.066 5.735 1.620 463 3HD1 ILE 52 3HD1 ILE 52 -14.325 6.005 1.532 464 H ASN 53 H ASN 53 -12.748 5.107 6.617 465 HA ASN 53 HA ASN 53 -9.876 4.816 6.448 466 1HB ASN 53 2HB ASN 53 -11.323 6.777 7.475 467 2HB ASN 53 1HB ASN 53 -11.242 5.792 8.939 468 1HD2 ASN 53 1HD2 ASN 53 -8.724 4.739 8.970 469 2HD2 ASN 53 2HD2 ASN 53 -7.534 5.955 8.920 470 H ASP 54 H ASP 54 -8.583 3.355 7.470 471 HA ASP 54 HA ASP 54 -9.635 1.828 9.765 472 1HB ASP 54 2HB ASP 54 -10.296 0.658 7.597 473 2HB ASP 54 1HB ASP 54 -8.576 0.377 7.343 474 HA PRO 55 HA PRO 55 -5.152 3.100 10.109 475 1HB PRO 55 2HB PRO 55 -5.371 3.043 12.897 476 2HB PRO 55 1HB PRO 55 -5.591 4.490 11.893 477 1HG PRO 55 2HG PRO 55 -7.644 2.637 13.018 478 2HG PRO 55 1HG PRO 55 -7.658 4.405 12.909 479 1HD PRO 55 2HD PRO 55 -9.106 2.993 11.193 480 2HD PRO 55 1HD PRO 55 -8.175 4.391 10.607 481 H GLU 56 H GLU 56 -6.786 0.909 12.422 482 HA GLU 56 HA GLU 56 -4.928 -0.842 13.242 483 1HB GLU 56 2HB GLU 56 -7.497 -1.602 11.821 484 2HB GLU 56 1HB GLU 56 -6.519 -2.741 12.748 485 1HG GLU 56 2HG GLU 56 -6.796 -1.383 14.769 486 2HG GLU 56 1HG GLU 56 -7.703 -0.174 13.858 487 H ARG 57 H ARG 57 -6.399 -1.347 10.020 488 HA ARG 57 HA ARG 57 -4.502 -3.170 9.011 489 1HB ARG 57 2HB ARG 57 -6.728 -1.921 8.007 490 2HB ARG 57 1HB ARG 57 -5.450 -1.144 7.078 491 1HG ARG 57 2HG ARG 57 -5.520 -4.136 7.364 492 2HG ARG 57 1HG ARG 57 -6.482 -3.329 6.129 493 1HD ARG 57 2HD ARG 57 -3.755 -2.327 6.196 494 2HD ARG 57 1HD ARG 57 -3.817 -4.067 5.918 495 HE ARG 57 HE ARG 57 -5.726 -3.091 4.174 496 1HH1 ARG 57 1HH2 ARG 57 -2.406 -2.406 4.853 497 2HH1 ARG 57 2HH2 ARG 57 -1.973 -2.174 3.181 498 1HH2 ARG 57 1HH1 ARG 57 -5.169 -2.778 1.992 499 2HH2 ARG 57 2HH1 ARG 57 -3.533 -2.385 1.576 500 H GLU 58 H GLU 58 -4.468 0.394 8.889 501 HA GLU 58 HA GLU 58 -2.033 0.698 7.454 502 1HB GLU 58 2HB GLU 58 -3.055 2.490 9.684 503 2HB GLU 58 1HB GLU 58 -1.971 2.950 8.371 504 1HG GLU 58 2HG GLU 58 -4.788 1.915 7.933 505 2HG GLU 58 1HG GLU 58 -4.377 3.630 8.006 506 H LYS 59 H LYS 59 -2.662 0.251 10.933 507 HA LYS 59 HA LYS 59 0.027 0.591 11.841 508 1HB LYS 59 2HB LYS 59 -2.471 -0.611 12.894 509 2HB LYS 59 1HB LYS 59 -0.988 -1.289 13.564 510 1HG LYS 59 2HG LYS 59 -1.703 0.598 14.944 511 2HG LYS 59 1HG LYS 59 -0.216 1.029 14.099 512 1HD LYS 59 2HD LYS 59 -1.670 2.092 12.309 513 2HD LYS 59 1HD LYS 59 -3.039 1.861 13.394 514 1HE LYS 59 2HE LYS 59 -2.152 4.114 13.696 515 2HE LYS 59 1HE LYS 59 -1.826 3.163 15.145 516 1HZ LYS 59 1HZ LYS 59 0.235 2.982 13.146 517 2HZ LYS 59 2HZ LYS 59 0.362 3.276 14.815 518 3HZ LYS 59 3HZ LYS 59 0.020 4.553 13.748 519 H TYR 60 H TYR 60 -1.767 -2.299 10.791 520 HA TYR 60 HA TYR 60 0.210 -4.262 11.180 521 1HB TYR 60 2HB TYR 60 -2.041 -4.864 10.490 522 2HB TYR 60 1HB TYR 60 -1.854 -3.986 8.974 523 HD1 TYR 60 1HD TYR 60 -0.619 -4.924 7.118 524 HD2 TYR 60 2HD TYR 60 -0.792 -6.970 10.893 525 HE1 TYR 60 1HE TYR 60 0.352 -6.948 6.064 526 HE2 TYR 60 2HE TYR 60 0.173 -8.996 9.835 527 HH TYR 60 HH TYR 60 1.789 -9.281 7.538 528 H ILE 61 H ILE 61 -0.229 -2.007 8.470 529 HA ILE 61 HA ILE 61 1.882 -3.011 6.815 530 HB ILE 61 HB ILE 61 0.694 -0.237 7.099 531 1HG1 ILE 61 2HG1 ILE 61 -0.664 -2.277 6.216 532 2HG1 ILE 61 1HG1 ILE 61 -0.669 -0.794 5.263 533 1HG2 ILE 61 1HG2 ILE 61 2.864 0.105 6.177 534 2HG2 ILE 61 2HG2 ILE 61 1.765 0.086 4.797 535 3HG2 ILE 61 3HG2 ILE 61 2.740 -1.336 5.168 536 1HD1 ILE 61 1HD1 ILE 61 1.488 -2.771 4.694 537 2HD1 ILE 61 2HD1 ILE 61 0.627 -1.703 3.586 538 3HD1 ILE 61 3HD1 ILE 61 -0.142 -3.181 4.162 539 H TYR 62 H TYR 62 1.833 -0.519 9.369 540 HA TYR 62 HA TYR 62 4.507 0.381 9.128 541 1HB TYR 62 2HB TYR 62 2.449 0.342 11.287 542 2HB TYR 62 1HB TYR 62 4.119 0.538 11.819 543 HD1 TYR 62 1HD TYR 62 4.755 2.767 12.112 544 HD2 TYR 62 2HD TYR 62 2.045 1.766 8.930 545 HE1 TYR 62 1HE TYR 62 4.704 5.145 11.403 546 HE2 TYR 62 2HE TYR 62 1.992 4.143 8.227 547 HH TYR 62 HH TYR 62 2.426 6.451 9.515 548 H ASP 63 H ASP 63 3.181 -2.290 11.086 549 HA ASP 63 HA ASP 63 5.734 -3.150 12.102 550 1HB ASP 63 2HB ASP 63 3.392 -3.699 13.019 551 2HB ASP 63 1HB ASP 63 3.297 -4.904 11.736 552 H ARG 64 H ARG 64 3.828 -3.952 9.239 553 HA ARG 64 HA ARG 64 5.414 -6.219 8.406 554 1HB ARG 64 2HB ARG 64 3.076 -5.693 7.583 555 2HB ARG 64 1HB ARG 64 3.764 -4.373 6.639 556 1HG ARG 64 2HG ARG 64 3.806 -6.063 5.049 557 2HG ARG 64 1HG ARG 64 5.388 -6.299 5.784 558 1HD ARG 64 2HD ARG 64 2.975 -7.750 6.844 559 2HD ARG 64 1HD ARG 64 3.889 -8.396 5.483 560 HE ARG 64 HE ARG 64 5.720 -7.768 7.579 561 1HH1 ARG 64 1HH2 ARG 64 3.047 -9.717 7.045 562 2HH1 ARG 64 2HH2 ARG 64 3.471 -10.901 8.225 563 1HH2 ARG 64 1HH1 ARG 64 6.403 -9.278 9.131 564 2HH2 ARG 64 2HH1 ARG 64 5.392 -10.660 9.433 565 H ILE 65 H ILE 65 5.389 -2.791 7.394 566 HA ILE 65 HA ILE 65 7.553 -2.995 5.545 567 HB ILE 65 HB ILE 65 6.650 -0.634 7.223 568 1HG1 ILE 65 2HG1 ILE 65 4.909 -1.519 5.707 569 2HG1 ILE 65 1HG1 ILE 65 5.482 0.056 5.162 570 1HG2 ILE 65 1HG2 ILE 65 8.850 -0.130 6.490 571 2HG2 ILE 65 2HG2 ILE 65 7.787 0.650 5.320 572 3HG2 ILE 65 3HG2 ILE 65 8.580 -0.871 4.912 573 1HD1 ILE 65 1HD1 ILE 65 5.485 -1.190 3.180 574 2HD1 ILE 65 2HD1 ILE 65 6.032 -2.662 3.986 575 3HD1 ILE 65 3HD1 ILE 65 7.159 -1.332 3.716 576 H ARG 66 H ARG 66 7.528 -2.250 9.041 577 HA ARG 66 HA ARG 66 10.278 -1.628 9.335 578 1HB ARG 66 2HB ARG 66 8.577 -1.355 11.153 579 2HB ARG 66 1HB ARG 66 8.521 -3.103 11.332 580 1HG ARG 66 2HG ARG 66 10.890 -3.145 11.941 581 2HG ARG 66 1HG ARG 66 11.001 -1.402 11.708 582 1HD ARG 66 2HD ARG 66 9.270 -1.101 13.475 583 2HD ARG 66 1HD ARG 66 9.256 -2.836 13.735 584 HE ARG 66 HE ARG 66 11.942 -1.821 13.993 585 1HH1 ARG 66 1HH2 ARG 66 8.930 -1.644 15.508 586 2HH1 ARG 66 2HH2 ARG 66 9.581 -1.167 17.056 587 1HH2 ARG 66 1HH1 ARG 66 12.862 -1.214 15.952 588 2HH2 ARG 66 2HH1 ARG 66 11.815 -0.906 17.302 589 H LYS 67 H LYS 67 8.628 -4.788 9.376 590 HA LYS 67 HA LYS 67 10.882 -6.374 10.102 591 1HB LYS 67 2HB LYS 67 8.546 -7.215 10.074 592 2HB LYS 67 1HB LYS 67 8.546 -7.131 8.314 593 1HG LYS 67 2HG LYS 67 10.380 -8.768 8.216 594 2HG LYS 67 1HG LYS 67 10.437 -8.827 9.978 595 1HD LYS 67 2HD LYS 67 8.095 -9.643 10.021 596 2HD LYS 67 1HD LYS 67 8.061 -9.612 8.259 597 1HE LYS 67 2HE LYS 67 9.840 -11.281 8.152 598 2HE LYS 67 1HE LYS 67 10.009 -11.254 9.907 599 1HZ LYS 67 1HZ LYS 67 7.915 -12.450 8.256 600 2HZ LYS 67 2HZ LYS 67 7.444 -11.787 9.748 601 3HZ LYS 67 3HZ LYS 67 8.617 -13.016 9.693 602 H LEU 68 H LEU 68 9.625 -5.546 6.847 603 HA LEU 68 HA LEU 68 11.776 -6.850 5.434 604 1HB LEU 68 2HB LEU 68 9.975 -4.557 4.589 605 2HB LEU 68 1HB LEU 68 11.039 -5.447 3.504 606 HG LEU 68 HG LEU 68 8.814 -6.714 5.133 607 1HD1 LEU 68 1HD1 LEU 68 7.663 -6.874 2.915 608 2HD1 LEU 68 2HD1 LEU 68 8.944 -5.883 2.218 609 3HD1 LEU 68 3HD1 LEU 68 7.881 -5.207 3.450 610 1HD2 LEU 68 1HD2 LEU 68 9.251 -8.498 3.254 611 2HD2 LEU 68 2HD2 LEU 68 10.335 -8.434 4.645 612 3HD2 LEU 68 3HD2 LEU 68 10.821 -7.703 3.115 613 H CYS 69 H CYS 69 11.362 -3.663 6.863 614 HA CYS 69 HA CYS 69 13.499 -2.311 5.546 615 1HB CYS 69 2HB CYS 69 13.083 -0.605 7.026 616 2HB CYS 69 1HB CYS 69 11.620 -1.543 7.329 617 HG CYS 69 HG CYS 69 12.511 -1.447 9.675 618 H LYS 70 H LYS 70 13.452 -4.214 8.558 619 HA LYS 70 HA LYS 70 16.251 -3.861 9.138 620 1HB LYS 70 2HB LYS 70 14.436 -6.161 9.921 621 2HB LYS 70 1HB LYS 70 15.963 -5.730 10.689 622 1HG LYS 70 2HG LYS 70 13.472 -3.994 10.600 623 2HG LYS 70 1HG LYS 70 14.063 -4.882 12.004 624 1HD LYS 70 2HD LYS 70 16.266 -3.565 11.659 625 2HD LYS 70 1HD LYS 70 15.300 -2.495 10.640 626 1HE LYS 70 2HE LYS 70 13.746 -2.092 12.503 627 2HE LYS 70 1HE LYS 70 14.668 -3.195 13.525 628 1HZ LYS 70 1HZ LYS 70 15.310 -0.935 13.970 629 2HZ LYS 70 2HZ LYS 70 15.656 -0.664 12.329 630 3HZ LYS 70 3HZ LYS 70 16.604 -1.747 13.231 631 H GLU 71 H GLU 71 14.432 -6.130 7.153 632 HA GLU 71 HA GLU 71 16.392 -8.155 6.833 633 1HB GLU 71 2HB GLU 71 14.244 -7.148 4.957 634 2HB GLU 71 1HB GLU 71 15.244 -8.556 4.604 635 1HG GLU 71 2HG GLU 71 13.588 -8.257 7.121 636 2HG GLU 71 1HG GLU 71 13.043 -9.114 5.679 637 H HIS 72 H HIS 72 15.667 -5.635 4.380 638 HA HIS 72 HA HIS 72 18.306 -6.084 3.179 639 1HB HIS 72 2HB HIS 72 17.495 -4.227 1.613 640 2HB HIS 72 1HB HIS 72 16.557 -5.719 1.614 641 HD1 HIS 72 1HD HIS 72 16.452 -2.171 2.934 642 HD2 HIS 72 2HD HIS 72 13.908 -5.450 2.513 643 HE1 HIS 72 1HE HIS 72 14.123 -1.353 3.516 644 HE2 HIS 72 2HE HIS 72 12.568 -3.341 3.263 645 H ASN 73 H ASN 73 17.578 -4.561 5.886 646 HA ASN 73 HA ASN 73 18.279 -2.518 6.918 647 1HB ASN 73 2HB ASN 73 20.114 -4.263 7.091 648 2HB ASN 73 1HB ASN 73 20.885 -3.468 5.711 649 1HD2 ASN 73 1HD2 ASN 73 20.211 -3.204 9.153 650 2HD2 ASN 73 2HD2 ASN 73 21.076 -1.760 9.414 651 H VAL 74 H VAL 74 17.189 -1.785 4.446 652 HA VAL 74 HA VAL 74 19.136 -0.209 2.948 653 HB VAL 74 HB VAL 74 16.130 -0.445 2.896 654 1HG1 VAL 74 1HG1 VAL 74 17.920 1.537 1.497 655 2HG1 VAL 74 2HG1 VAL 74 16.414 1.839 2.362 656 3HG1 VAL 74 3HG1 VAL 74 16.383 1.037 0.792 657 1HG2 VAL 74 1HG2 VAL 74 17.925 -2.087 1.839 658 2HG2 VAL 74 2HG2 VAL 74 17.985 -0.854 0.579 659 3HG2 VAL 74 3HG2 VAL 74 16.462 -1.665 0.948 660 H ASP 75 H ASP 75 16.640 0.444 5.394 661 HA ASP 75 HA ASP 75 18.036 2.780 6.355 662 1HB ASP 75 2HB ASP 75 16.366 4.480 5.713 663 2HB ASP 75 1HB ASP 75 17.125 3.764 4.290 664 H GLU 76 H GLU 76 15.855 4.167 7.475 665 HA GLU 76 HA GLU 76 14.394 2.075 9.023 666 1HB GLU 76 2HB GLU 76 16.113 4.310 10.102 667 2HB GLU 76 1HB GLU 76 14.813 3.608 11.065 668 1HG GLU 76 2HG GLU 76 16.783 2.380 11.642 669 2HG GLU 76 1HG GLU 76 15.855 1.331 10.568 670 H ASN 77 H ASN 77 14.434 5.430 9.955 671 HA ASN 77 HA ASN 77 11.594 5.675 9.808 672 1HB ASN 77 2HB ASN 77 12.049 8.136 10.131 673 2HB ASN 77 1HB ASN 77 12.812 7.086 11.324 674 1HD2 ASN 77 1HD2 ASN 77 13.428 9.569 9.050 675 2HD2 ASN 77 2HD2 ASN 77 15.122 9.447 9.023 676 H ILE 78 H ILE 78 14.131 6.930 7.610 677 HA ILE 78 HA ILE 78 12.551 8.425 5.870 678 HB ILE 78 HB ILE 78 14.653 6.499 4.862 679 1HG1 ILE 78 2HG1 ILE 78 15.979 8.845 5.386 680 2HG1 ILE 78 1HG1 ILE 78 14.880 8.749 6.762 681 1HG2 ILE 78 1HG2 ILE 78 13.323 7.906 3.250 682 2HG2 ILE 78 2HG2 ILE 78 15.055 8.241 3.223 683 3HG2 ILE 78 3HG2 ILE 78 13.957 9.339 4.060 684 1HD1 ILE 78 1HD1 ILE 78 15.661 6.302 6.986 685 2HD1 ILE 78 2HD1 ILE 78 16.807 7.557 7.463 686 3HD1 ILE 78 3HD1 ILE 78 16.977 6.754 5.902 687 H GLY 79 H GLY 79 12.927 4.891 5.923 688 1HA GLY 79 2HA GLY 79 11.337 4.430 3.562 689 2HA GLY 79 1HA GLY 79 11.748 3.216 4.773 690 H ILE 80 H ILE 80 10.546 3.981 7.035 691 HA ILE 80 HA ILE 80 7.788 3.374 6.572 692 HB ILE 80 HB ILE 80 9.194 4.508 9.001 693 1HG1 ILE 80 2HG1 ILE 80 8.116 1.723 8.488 694 2HG1 ILE 80 1HG1 ILE 80 9.786 2.181 8.151 695 1HG2 ILE 80 1HG2 ILE 80 7.090 3.596 10.164 696 2HG2 ILE 80 2HG2 ILE 80 6.345 3.600 8.565 697 3HG2 ILE 80 3HG2 ILE 80 6.912 5.111 9.280 698 1HD1 ILE 80 1HD1 ILE 80 9.275 1.120 10.459 699 2HD1 ILE 80 2HD1 ILE 80 8.551 2.678 10.860 700 3HD1 ILE 80 3HD1 ILE 80 10.260 2.583 10.433 701 H LYS 81 H LYS 81 9.411 6.459 7.332 702 HA LYS 81 HA LYS 81 7.109 8.086 7.583 703 1HB LYS 81 2HB LYS 81 9.582 8.704 7.942 704 2HB LYS 81 1HB LYS 81 9.626 9.014 6.206 705 1HG LYS 81 2HG LYS 81 9.047 11.124 6.990 706 2HG LYS 81 1HG LYS 81 7.448 10.427 6.741 707 1HD LYS 81 2HD LYS 81 7.329 9.789 9.105 708 2HD LYS 81 1HD LYS 81 8.950 10.427 9.377 709 1HE LYS 81 2HE LYS 81 8.163 12.682 8.708 710 2HE LYS 81 1HE LYS 81 6.539 12.035 8.474 711 1HZ LYS 81 1HZ LYS 81 6.850 13.086 10.663 712 2HZ LYS 81 2HZ LYS 81 8.042 11.934 11.035 713 3HZ LYS 81 3HZ LYS 81 6.434 11.446 10.784 714 H ILE 82 H ILE 82 8.846 7.073 4.644 715 HA ILE 82 HA ILE 82 7.356 8.722 2.821 716 HB ILE 82 HB ILE 82 8.854 6.123 2.439 717 1HG1 ILE 82 2HG1 ILE 82 9.953 8.420 3.122 718 2HG1 ILE 82 1HG1 ILE 82 10.683 7.451 1.841 719 1HG2 ILE 82 1HG2 ILE 82 8.822 6.972 -0.018 720 2HG2 ILE 82 2HG2 ILE 82 7.439 7.941 0.491 721 3HG2 ILE 82 3HG2 ILE 82 7.372 6.183 0.602 722 1HD1 ILE 82 1HD1 ILE 82 9.826 8.833 0.138 723 2HD1 ILE 82 2HD1 ILE 82 10.284 9.987 1.392 724 3HD1 ILE 82 3HD1 ILE 82 8.594 9.524 1.194 725 H PHE 83 H PHE 83 6.887 5.347 3.894 726 HA PHE 83 HA PHE 83 4.763 4.647 2.178 727 1HB PHE 83 2HB PHE 83 5.659 3.797 4.893 728 2HB PHE 83 1HB PHE 83 4.040 3.310 4.391 729 HD1 PHE 83 1HD PHE 83 7.555 2.634 4.111 730 HD2 PHE 83 2HD PHE 83 3.795 2.173 2.083 731 HE1 PHE 83 1HE PHE 83 8.528 0.825 2.719 732 HE2 PHE 83 2HE PHE 83 4.770 0.365 0.691 733 HZ PHE 83 HZ PHE 83 7.136 -0.308 1.009 734 H GLN 84 H GLN 84 4.576 6.196 5.394 735 HA GLN 84 HA GLN 84 1.822 6.421 5.709 736 1HB GLN 84 2HB GLN 84 3.524 7.248 7.329 737 2HB GLN 84 1HB GLN 84 3.861 8.604 6.254 738 1HG GLN 84 2HG GLN 84 2.308 9.313 8.002 739 2HG GLN 84 1HG GLN 84 1.470 9.299 6.448 740 1HE2 GLN 84 1HE2 GLN 84 -0.656 8.792 7.232 741 2HE2 GLN 84 2HE2 GLN 84 -1.023 7.330 8.020 742 H ARG 85 H ARG 85 3.927 8.676 3.897 743 HA ARG 85 HA ARG 85 1.921 10.414 2.938 744 1HB ARG 85 2HB ARG 85 4.504 9.484 1.643 745 2HB ARG 85 1HB ARG 85 3.502 10.769 0.978 746 1HG ARG 85 2HG ARG 85 3.762 12.061 3.075 747 2HG ARG 85 1HG ARG 85 4.761 10.771 3.749 748 1HD ARG 85 2HD ARG 85 6.387 11.120 1.877 749 2HD ARG 85 1HD ARG 85 5.378 12.404 1.264 750 HE ARG 85 HE ARG 85 7.284 12.594 3.446 751 1HH1 ARG 85 1HH2 ARG 85 4.152 13.577 2.356 752 2HH1 ARG 85 2HH2 ARG 85 4.169 15.084 3.216 753 1HH2 ARG 85 1HH1 ARG 85 7.268 14.563 4.667 754 2HH2 ARG 85 2HH1 ARG 85 5.921 15.639 4.498 755 H LEU 86 H LEU 86 3.055 7.301 1.626 756 HA LEU 86 HA LEU 86 1.424 7.292 -0.727 757 1HB LEU 86 2HB LEU 86 3.346 5.721 -0.207 758 2HB LEU 86 1HB LEU 86 2.259 4.861 0.880 759 HG LEU 86 HG LEU 86 0.673 4.824 -1.223 760 1HD1 LEU 86 1HD1 LEU 86 3.347 4.820 -2.621 761 2HD1 LEU 86 2HD1 LEU 86 2.395 6.296 -2.467 762 3HD1 LEU 86 3HD1 LEU 86 1.734 4.909 -3.331 763 1HD2 LEU 86 1HD2 LEU 86 1.912 2.707 -1.985 764 2HD2 LEU 86 2HD2 LEU 86 1.437 2.775 -0.288 765 3HD2 LEU 86 3HD2 LEU 86 3.108 3.097 -0.748 766 H ILE 87 H ILE 87 0.820 6.150 2.590 767 HA ILE 87 HA ILE 87 -1.701 4.905 2.085 768 HB ILE 87 HB ILE 87 -0.836 6.324 4.621 769 1HG1 ILE 87 2HG1 ILE 87 0.915 4.774 3.970 770 2HG1 ILE 87 1HG1 ILE 87 -0.008 4.041 5.282 771 1HG2 ILE 87 1HG2 ILE 87 -2.678 3.954 4.213 772 2HG2 ILE 87 2HG2 ILE 87 -3.238 5.613 4.430 773 3HG2 ILE 87 3HG2 ILE 87 -2.362 4.802 5.727 774 1HD1 ILE 87 1HD1 ILE 87 -0.024 3.359 2.351 775 2HD1 ILE 87 2HD1 ILE 87 -1.423 2.980 3.355 776 3HD1 ILE 87 3HD1 ILE 87 0.150 2.282 3.737 777 H GLU 88 H GLU 88 -0.862 8.257 2.940 778 HA GLU 88 HA GLU 88 -3.431 9.314 3.359 779 1HB GLU 88 2HB GLU 88 -1.042 10.564 1.967 780 2HB GLU 88 1HB GLU 88 -2.463 11.465 2.491 781 1HG GLU 88 2HG GLU 88 -0.711 9.811 4.335 782 2HG GLU 88 1HG GLU 88 -0.590 11.560 4.144 783 H HIS 89 H HIS 89 -1.678 8.981 0.262 784 HA HIS 89 HA HIS 89 -3.833 9.996 -1.347 785 1HB HIS 89 2HB HIS 89 -2.378 9.703 -3.071 786 2HB HIS 89 1HB HIS 89 -1.207 9.394 -1.795 787 HD1 HIS 89 1HD HIS 89 -3.921 7.168 -3.318 788 HD2 HIS 89 2HD HIS 89 0.182 7.141 -2.558 789 HE1 HIS 89 1HE HIS 89 -3.083 4.868 -3.978 790 HE2 HIS 89 2HE HIS 89 -0.589 4.842 -3.520 791 H ASN 90 H ASN 90 -3.231 6.938 0.141 792 HA ASN 90 HA ASN 90 -4.904 5.315 -1.579 793 1HB ASN 90 2HB ASN 90 -3.116 4.649 0.259 794 2HB ASN 90 1HB ASN 90 -4.505 4.718 1.342 795 1HD2 ASN 90 1HD2 ASN 90 -3.011 2.893 -1.262 796 2HD2 ASN 90 2HD2 ASN 90 -4.148 1.633 -1.288 797 H LYS 91 H LYS 91 -5.425 6.941 1.563 798 HA LYS 91 HA LYS 91 -8.262 6.302 1.650 799 1HB LYS 91 2HB LYS 91 -6.562 8.313 3.166 800 2HB LYS 91 1HB LYS 91 -8.271 8.032 3.498 801 1HG LYS 91 2HG LYS 91 -7.791 5.655 3.972 802 2HG LYS 91 1HG LYS 91 -6.082 5.936 3.646 803 1HD LYS 91 2HD LYS 91 -5.951 7.524 5.503 804 2HD LYS 91 1HD LYS 91 -7.680 7.349 5.804 805 1HE LYS 91 2HE LYS 91 -6.442 5.957 7.383 806 2HE LYS 91 1HE LYS 91 -7.319 4.920 6.258 807 1HZ LYS 91 1HZ LYS 91 -4.943 5.352 5.014 808 2HZ LYS 91 2HZ LYS 91 -5.359 3.960 5.896 809 3HZ LYS 91 3HZ LYS 91 -4.491 5.216 6.643 810 H ALA 92 H ALA 92 -6.400 8.498 -0.100 811 HA ALA 92 HA ALA 92 -8.289 10.702 -0.228 812 1HB ALA 92 1HB ALA 92 -6.029 10.019 -2.126 813 2HB ALA 92 2HB ALA 92 -5.852 10.957 -0.644 814 3HB ALA 92 3HB ALA 92 -6.839 11.578 -1.965 815 H LEU 93 H LEU 93 -7.292 8.265 -2.681 816 HA LEU 93 HA LEU 93 -9.532 9.018 -4.380 817 1HB LEU 93 2HB LEU 93 -8.603 7.622 -5.991 818 2HB LEU 93 1HB LEU 93 -7.193 8.118 -5.070 819 HG LEU 93 HG LEU 93 -6.977 5.776 -5.419 820 1HD1 LEU 93 1HD1 LEU 93 -6.555 5.130 -3.270 821 2HD1 LEU 93 2HD1 LEU 93 -8.159 5.596 -2.708 822 3HD1 LEU 93 3HD1 LEU 93 -6.917 6.825 -2.943 823 1HD2 LEU 93 1HD2 LEU 93 -8.698 4.322 -5.572 824 2HD2 LEU 93 2HD2 LEU 93 -9.716 5.761 -5.617 825 3HD2 LEU 93 3HD2 LEU 93 -9.452 4.915 -4.092 826 H GLN 94 H GLN 94 -9.185 6.906 -1.729 827 HA GLN 94 HA GLN 94 -11.220 4.973 -2.478 828 1HB GLN 94 2HB GLN 94 -9.680 5.695 -0.043 829 2HB GLN 94 1HB GLN 94 -11.255 4.951 0.239 830 1HG GLN 94 2HG GLN 94 -10.661 3.055 -1.181 831 2HG GLN 94 1HG GLN 94 -9.110 3.799 -1.576 832 1HE2 GLN 94 1HE2 GLN 94 -7.568 2.565 -0.489 833 2HE2 GLN 94 2HE2 GLN 94 -7.653 2.136 1.160 834 H LYS 95 H LYS 95 -11.234 7.720 -0.182 835 HA LYS 95 HA LYS 95 -14.072 7.696 0.225 836 1HB LYS 95 2HB LYS 95 -12.019 9.904 0.593 837 2HB LYS 95 1HB LYS 95 -13.693 10.018 1.131 838 1HG LYS 95 2HG LYS 95 -13.369 8.037 2.574 839 2HG LYS 95 1HG LYS 95 -11.690 7.926 2.039 840 1HD LYS 95 2HD LYS 95 -11.256 10.190 2.940 841 2HD LYS 95 1HD LYS 95 -12.928 10.289 3.488 842 1HE LYS 95 2HE LYS 95 -12.568 8.331 4.947 843 2HE LYS 95 1HE LYS 95 -10.894 8.229 4.401 844 1HZ LYS 95 1HZ LYS 95 -10.998 10.771 5.154 845 2HZ LYS 95 2HZ LYS 95 -10.556 9.512 6.207 846 3HZ LYS 95 3HZ LYS 95 -12.141 10.121 6.226 847 H GLN 96 H GLN 96 -11.986 9.479 -2.034 848 HA GLN 96 HA GLN 96 -14.109 11.131 -3.086 849 1HB GLN 96 2HB GLN 96 -11.337 10.401 -4.023 850 2HB GLN 96 1HB GLN 96 -12.415 11.340 -5.053 851 1HG GLN 96 2HG GLN 96 -11.805 12.115 -2.190 852 2HG GLN 96 1HG GLN 96 -10.862 12.703 -3.560 853 1HE2 GLN 96 1HE2 GLN 96 -13.766 13.199 -1.746 854 2HE2 GLN 96 2HE2 GLN 96 -14.451 14.379 -2.756 855 H TYR 97 H TYR 97 -12.669 8.044 -4.074 856 HA TYR 97 HA TYR 97 -14.071 7.758 -6.549 857 1HB TYR 97 2HB TYR 97 -12.176 6.339 -6.083 858 2HB TYR 97 1HB TYR 97 -12.933 5.721 -4.616 859 HD1 TYR 97 1HD TYR 97 -14.304 3.801 -4.693 860 HD2 TYR 97 2HD TYR 97 -13.386 5.906 -8.323 861 HE1 TYR 97 1HE TYR 97 -15.406 2.011 -6.011 862 HE2 TYR 97 2HE TYR 97 -14.485 4.116 -9.639 863 HH TYR 97 HH TYR 97 -16.561 1.942 -8.408 864 H LEU 98 H LEU 98 -14.819 6.438 -3.302 865 HA LEU 98 HA LEU 98 -17.274 5.186 -4.070 866 1HB LEU 98 2HB LEU 98 -16.336 6.242 -1.389 867 2HB LEU 98 1HB LEU 98 -17.807 5.299 -1.603 868 HG LEU 98 HG LEU 98 -15.033 4.349 -2.387 869 1HD1 LEU 98 1HD1 LEU 98 -15.041 4.440 -0.013 870 2HD1 LEU 98 2HD1 LEU 98 -15.486 2.775 -0.389 871 3HD1 LEU 98 3HD1 LEU 98 -16.727 3.934 0.080 872 1HD2 LEU 98 1HD2 LEU 98 -16.490 3.073 -3.688 873 2HD2 LEU 98 2HD2 LEU 98 -17.802 3.191 -2.515 874 3HD2 LEU 98 3HD2 LEU 98 -16.442 2.111 -2.211 875 H GLU 99 H GLU 99 -16.576 8.428 -2.770 876 HA GLU 99 HA GLU 99 -19.279 9.300 -2.474 877 1HB GLU 99 2HB GLU 99 -17.302 10.506 -1.551 878 2HB GLU 99 1HB GLU 99 -16.857 10.975 -3.192 879 1HG GLU 99 2HG GLU 99 -18.983 12.174 -3.456 880 2HG GLU 99 1HG GLU 99 -19.483 11.666 -1.842 881 H GLU 100 H GLU 100 -17.069 9.422 -5.252 882 HA GLU 100 HA GLU 100 -18.977 10.915 -6.878 883 1HB GLU 100 2HB GLU 100 -17.334 10.714 -8.643 884 2HB GLU 100 1HB GLU 100 -16.504 11.103 -7.139 885 1HG GLU 100 2HG GLU 100 -15.870 8.774 -6.827 886 2HG GLU 100 1HG GLU 100 -16.793 8.293 -8.252 887 H THR 101 H THR 101 -18.516 7.595 -6.123 888 HA THR 101 HA THR 101 -19.776 6.612 -8.594 889 HB THR 101 HB THR 101 -19.790 4.421 -7.293 890 HG1 THR 101 1HG THR 101 -19.489 5.942 -5.289 891 1HG2 THR 101 1HG2 THR 101 -17.212 4.322 -7.300 892 2HG2 THR 101 2HG2 THR 101 -17.279 5.995 -7.854 893 3HG2 THR 101 3HG2 THR 101 -18.010 4.713 -8.822 894 H LEU 102 H LEU 102 -20.743 7.687 -5.438 895 HA LEU 102 HA LEU 102 -23.449 6.495 -5.747 896 1HB LEU 102 2HB LEU 102 -22.268 8.128 -3.470 897 2HB LEU 102 1HB LEU 102 -23.846 7.341 -3.459 898 HG LEU 102 HG LEU 102 -21.213 5.884 -3.826 899 1HD1 LEU 102 1HD1 LEU 102 -21.611 6.943 -1.540 900 2HD1 LEU 102 2HD1 LEU 102 -21.397 5.193 -1.537 901 3HD1 LEU 102 3HD1 LEU 102 -23.013 5.885 -1.394 902 1HD2 LEU 102 1HD2 LEU 102 -22.856 3.957 -3.130 903 2HD2 LEU 102 2HD2 LEU 102 -22.862 4.527 -4.800 904 3HD2 LEU 102 3HD2 LEU 102 -24.107 5.072 -3.676 905 H GLU 103 H GLU 103 -21.757 9.393 -6.377 906 HA GLU 103 HA GLU 103 -24.325 10.925 -6.591 907 1HB GLU 103 2HB GLU 103 -21.465 11.867 -6.224 908 2HB GLU 103 1HB GLU 103 -22.819 12.947 -6.549 909 1HG GLU 103 2HG GLU 103 -23.928 12.216 -4.490 910 2HG GLU 103 1HG GLU 103 -22.620 11.072 -4.172 911 H HIS 104 H HIS 104 -24.790 11.879 -8.534 912 HA HIS 104 HA HIS 104 -24.810 12.087 -10.878 913 1HB HIS 104 2HB HIS 104 -21.822 12.470 -10.388 914 2HB HIS 104 1HB HIS 104 -22.698 12.962 -11.838 915 HD1 HIS 104 1HD HIS 104 -24.785 14.718 -11.296 916 HD2 HIS 104 2HD HIS 104 -21.741 14.454 -8.453 917 HE1 HIS 104 1HE HIS 104 -24.900 16.845 -9.921 918 HE2 HIS 104 2HE HIS 104 -23.052 16.695 -8.191 919 H2 TSA 501 1H2 TSA 501 -4.422 -0.251 5.006 920 H3 TSA 501 1H3 TSA 501 -6.759 -0.368 5.913 921 H4 TSA 501 4H TSA 501 -8.485 1.144 5.179 922 HO5 TSA 501 HO5 TSA 501 -6.983 2.245 6.532 923 H5 TSA 501 5H TSA 501 -8.057 2.585 3.111 924 1H6 TSA 501 1H6 TSA 501 -5.888 2.438 1.982 925 2H6 TSA 501 2H6 TSA 501 -5.488 2.822 3.596 926 H8 TSA 501 8H TSA 501 -7.251 0.527 0.707 927 1H9 TSA 501 1H9 TSA 501 -5.326 -1.115 2.156 928 2H9 TSA 501 2H9 TSA 501 -5.010 0.108 1.073 Start of MODEL 6 1 1H MET 1 1HT MET 1 -16.512 -13.230 0.559 2 2H MET 1 2HT MET 1 -17.351 -13.749 -0.825 3 3H MET 1 3HT MET 1 -17.953 -12.459 0.104 4 HA MET 1 HA MET 1 -15.943 -12.463 -1.962 5 1HB MET 1 2HB MET 1 -17.667 -10.357 -0.615 6 2HB MET 1 1HB MET 1 -16.637 -10.052 -2.013 7 1HG MET 1 2HG MET 1 -17.891 -11.736 -3.314 8 2HG MET 1 1HG MET 1 -18.918 -12.059 -1.917 9 1HE MET 1 1HE MET 1 -21.210 -11.506 -2.949 10 2HE MET 1 2HE MET 1 -20.281 -11.540 -4.446 11 3HE MET 1 3HE MET 1 -21.427 -10.233 -4.158 12 H ILE 2 H ILE 2 -15.532 -12.667 1.239 13 HA ILE 2 HA ILE 2 -13.858 -10.418 1.882 14 HB ILE 2 HB ILE 2 -14.877 -11.996 3.557 15 1HG1 ILE 2 2HG1 ILE 2 -12.835 -12.090 5.013 16 2HG1 ILE 2 1HG1 ILE 2 -11.864 -11.638 3.612 17 1HG2 ILE 2 1HG2 ILE 2 -12.605 -13.840 2.787 18 2HG2 ILE 2 2HG2 ILE 2 -14.251 -14.052 2.191 19 3HG2 ILE 2 3HG2 ILE 2 -13.918 -14.163 3.919 20 1HD1 ILE 2 1HD1 ILE 2 -12.651 -9.472 3.588 21 2HD1 ILE 2 2HD1 ILE 2 -12.817 -9.803 5.312 22 3HD1 ILE 2 3HD1 ILE 2 -14.221 -9.924 4.251 23 H GLU 3 H GLU 3 -13.278 -13.483 0.257 24 HA GLU 3 HA GLU 3 -10.432 -13.554 0.413 25 1HB GLU 3 2HB GLU 3 -10.586 -14.934 -1.672 26 2HB GLU 3 1HB GLU 3 -11.693 -15.468 -0.409 27 1HG GLU 3 2HG GLU 3 -13.523 -14.191 -1.479 28 2HG GLU 3 1HG GLU 3 -12.419 -13.695 -2.760 29 H LYS 4 H LYS 4 -12.623 -11.815 -1.743 30 HA LYS 4 HA LYS 4 -10.739 -10.961 -3.692 31 1HB LYS 4 2HB LYS 4 -13.245 -9.613 -2.630 32 2HB LYS 4 1HB LYS 4 -12.352 -9.051 -4.045 33 1HG LYS 4 2HG LYS 4 -12.727 -11.175 -5.183 34 2HG LYS 4 1HG LYS 4 -13.513 -11.840 -3.749 35 1HD LYS 4 2HD LYS 4 -15.328 -11.160 -5.098 36 2HD LYS 4 1HD LYS 4 -15.136 -9.822 -3.965 37 1HE LYS 4 2HE LYS 4 -13.960 -8.501 -5.594 38 2HE LYS 4 1HE LYS 4 -13.826 -9.872 -6.695 39 1HZ LYS 4 1HZ LYS 4 -16.448 -9.792 -6.390 40 2HZ LYS 4 2HZ LYS 4 -15.640 -8.902 -7.590 41 3HZ LYS 4 3HZ LYS 4 -16.109 -8.149 -6.142 42 H LEU 5 H LEU 5 -11.665 -9.494 -0.585 43 HA LEU 5 HA LEU 5 -10.001 -7.160 -0.815 44 1HB LEU 5 2HB LEU 5 -11.873 -7.367 0.791 45 2HB LEU 5 1HB LEU 5 -10.989 -8.623 1.653 46 HG LEU 5 HG LEU 5 -9.470 -6.120 1.259 47 1HD1 LEU 5 1HD1 LEU 5 -12.033 -6.233 2.866 48 2HD1 LEU 5 2HD1 LEU 5 -11.565 -5.039 1.657 49 3HD1 LEU 5 3HD1 LEU 5 -10.750 -5.076 3.221 50 1HD2 LEU 5 1HD2 LEU 5 -10.127 -7.857 3.665 51 2HD2 LEU 5 2HD2 LEU 5 -8.930 -6.562 3.639 52 3HD2 LEU 5 3HD2 LEU 5 -8.689 -8.006 2.656 53 H ALA 6 H ALA 6 -9.441 -10.434 0.359 54 HA ALA 6 HA ALA 6 -6.889 -9.902 1.593 55 1HB ALA 6 1HB ALA 6 -6.676 -12.276 1.767 56 2HB ALA 6 2HB ALA 6 -7.807 -12.541 0.439 57 3HB ALA 6 3HB ALA 6 -8.388 -11.920 1.984 58 H GLU 7 H GLU 7 -7.569 -11.719 -1.435 59 HA GLU 7 HA GLU 7 -4.934 -11.852 -2.372 60 1HB GLU 7 2HB GLU 7 -7.501 -11.528 -3.946 61 2HB GLU 7 1HB GLU 7 -5.947 -11.946 -4.670 62 1HG GLU 7 2HG GLU 7 -5.816 -13.964 -3.282 63 2HG GLU 7 1HG GLU 7 -7.337 -13.540 -2.497 64 H ILE 8 H ILE 8 -7.222 -9.158 -2.613 65 HA ILE 8 HA ILE 8 -5.717 -7.549 -4.432 66 HB ILE 8 HB ILE 8 -7.729 -6.912 -2.282 67 1HG1 ILE 8 2HG1 ILE 8 -7.835 -6.489 -5.278 68 2HG1 ILE 8 1HG1 ILE 8 -8.362 -7.985 -4.507 69 1HG2 ILE 8 1HG2 ILE 8 -6.627 -4.889 -2.202 70 2HG2 ILE 8 2HG2 ILE 8 -7.631 -4.598 -3.622 71 3HG2 ILE 8 3HG2 ILE 8 -5.945 -5.078 -3.816 72 1HD1 ILE 8 1HD1 ILE 8 -10.302 -6.548 -4.803 73 2HD1 ILE 8 2HD1 ILE 8 -9.473 -5.206 -4.013 74 3HD1 ILE 8 3HD1 ILE 8 -9.926 -6.635 -3.083 75 H ARG 9 H ARG 9 -5.753 -7.582 -0.852 76 HA ARG 9 HA ARG 9 -3.750 -5.525 -0.599 77 1HB ARG 9 2HB ARG 9 -4.724 -7.665 1.332 78 2HB ARG 9 1HB ARG 9 -3.584 -6.393 1.778 79 1HG ARG 9 2HG ARG 9 -5.320 -4.722 0.898 80 2HG ARG 9 1HG ARG 9 -6.462 -6.065 0.873 81 1HD ARG 9 2HD ARG 9 -5.954 -6.463 3.300 82 2HD ARG 9 1HD ARG 9 -4.944 -5.019 3.276 83 HE ARG 9 HE ARG 9 -7.389 -4.116 2.332 84 1HH1 ARG 9 1HH2 ARG 9 -6.333 -5.942 5.057 85 2HH1 ARG 9 2HH2 ARG 9 -7.390 -5.143 6.176 86 1HH2 ARG 9 1HH1 ARG 9 -8.848 -3.122 3.765 87 2HH2 ARG 9 2HH1 ARG 9 -8.799 -3.532 5.447 88 H LYS 10 H LYS 10 -3.599 -8.943 -1.230 89 HA LYS 10 HA LYS 10 -0.860 -9.365 -0.403 90 1HB LYS 10 2HB LYS 10 -2.684 -10.811 -2.353 91 2HB LYS 10 1HB LYS 10 -1.038 -11.350 -2.017 92 1HG LYS 10 2HG LYS 10 -1.647 -11.429 0.433 93 2HG LYS 10 1HG LYS 10 -3.316 -11.095 -0.030 94 1HD LYS 10 2HD LYS 10 -3.338 -13.125 -1.436 95 2HD LYS 10 1HD LYS 10 -1.670 -13.464 -0.971 96 1HE LYS 10 2HE LYS 10 -2.365 -13.626 1.397 97 2HE LYS 10 1HE LYS 10 -4.035 -13.308 0.924 98 1HZ LYS 10 1HZ LYS 10 -3.152 -15.740 1.189 99 2HZ LYS 10 2HZ LYS 10 -2.594 -15.494 -0.397 100 3HZ LYS 10 3HZ LYS 10 -4.249 -15.347 -0.044 101 H LYS 11 H LYS 11 -2.446 -8.268 -3.377 102 HA LYS 11 HA LYS 11 -0.138 -8.257 -5.067 103 1HB LYS 11 2HB LYS 11 -2.463 -6.297 -5.129 104 2HB LYS 11 1HB LYS 11 -1.377 -6.677 -6.463 105 1HG LYS 11 2HG LYS 11 -2.314 -9.171 -5.718 106 2HG LYS 11 1HG LYS 11 -3.729 -8.143 -5.497 107 1HD LYS 11 2HD LYS 11 -2.043 -8.171 -8.017 108 2HD LYS 11 1HD LYS 11 -3.529 -9.099 -7.818 109 1HE LYS 11 2HE LYS 11 -4.862 -7.150 -7.657 110 2HE LYS 11 1HE LYS 11 -3.465 -6.121 -7.342 111 1HZ LYS 11 1HZ LYS 11 -3.509 -7.608 -9.856 112 2HZ LYS 11 2HZ LYS 11 -2.890 -6.062 -9.519 113 3HZ LYS 11 3HZ LYS 11 -4.562 -6.287 -9.718 114 H ILE 12 H ILE 12 -1.465 -5.886 -2.784 115 HA ILE 12 HA ILE 12 0.360 -3.761 -3.286 116 HB ILE 12 HB ILE 12 -1.275 -4.633 -0.923 117 1HG1 ILE 12 2HG1 ILE 12 -2.202 -2.334 -1.223 118 2HG1 ILE 12 1HG1 ILE 12 -1.094 -2.087 -2.572 119 1HG2 ILE 12 1HG2 ILE 12 0.987 -2.639 -0.909 120 2HG2 ILE 12 2HG2 ILE 12 0.635 -3.911 0.262 121 3HG2 ILE 12 3HG2 ILE 12 -0.380 -2.470 0.190 122 1HD1 ILE 12 1HD1 ILE 12 -3.532 -2.902 -3.062 123 2HD1 ILE 12 2HD1 ILE 12 -2.923 -4.475 -2.545 124 3HD1 ILE 12 3HD1 ILE 12 -2.189 -3.655 -3.924 125 H ASP 13 H ASP 13 0.616 -6.701 -1.365 126 HA ASP 13 HA ASP 13 3.020 -6.129 0.037 127 1HB ASP 13 2HB ASP 13 1.440 -8.147 0.298 128 2HB ASP 13 1HB ASP 13 2.297 -8.855 -1.070 129 H GLU 14 H GLU 14 2.477 -7.507 -3.202 130 HA GLU 14 HA GLU 14 5.232 -7.954 -3.838 131 1HB GLU 14 2HB GLU 14 2.844 -7.353 -5.608 132 2HB GLU 14 1HB GLU 14 4.425 -7.824 -6.227 133 1HG GLU 14 2HG GLU 14 4.304 -9.944 -5.000 134 2HG GLU 14 1HG GLU 14 2.755 -9.469 -4.300 135 H ILE 15 H ILE 15 3.174 -5.107 -3.932 136 HA ILE 15 HA ILE 15 5.151 -3.490 -5.379 137 HB ILE 15 HB ILE 15 2.505 -2.895 -4.043 138 1HG1 ILE 15 2HG1 ILE 15 2.171 -1.991 -6.479 139 2HG1 ILE 15 1HG1 ILE 15 3.584 -2.978 -6.855 140 1HG2 ILE 15 1HG2 ILE 15 4.628 -0.992 -5.030 141 2HG2 ILE 15 2HG2 ILE 15 3.714 -0.935 -3.522 142 3HG2 ILE 15 3HG2 ILE 15 2.922 -0.542 -5.047 143 1HD1 ILE 15 1HD1 ILE 15 2.464 -4.971 -5.961 144 2HD1 ILE 15 2HD1 ILE 15 1.460 -4.228 -7.207 145 3HD1 ILE 15 3HD1 ILE 15 1.066 -3.999 -5.503 146 H ASP 16 H ASP 16 4.123 -4.021 -2.048 147 HA ASP 16 HA ASP 16 5.435 -1.847 -0.796 148 1HB ASP 16 2HB ASP 16 4.855 -4.666 0.157 149 2HB ASP 16 1HB ASP 16 5.508 -3.415 1.214 150 H ASN 17 H ASN 17 6.661 -5.169 -1.331 151 HA ASN 17 HA ASN 17 9.307 -4.670 -0.406 152 1HB ASN 17 2HB ASN 17 8.134 -6.667 -2.346 153 2HB ASN 17 1HB ASN 17 9.862 -6.620 -2.005 154 1HD2 ASN 17 1HD2 ASN 17 9.753 -5.932 0.785 155 2HD2 ASN 17 2HD2 ASN 17 9.068 -7.247 1.626 156 H LYS 18 H LYS 18 7.784 -4.188 -3.552 157 HA LYS 18 HA LYS 18 10.124 -3.724 -5.104 158 1HB LYS 18 2HB LYS 18 7.813 -4.040 -6.009 159 2HB LYS 18 1HB LYS 18 7.405 -2.424 -5.437 160 1HG LYS 18 2HG LYS 18 9.164 -1.462 -6.874 161 2HG LYS 18 1HG LYS 18 9.591 -3.079 -7.440 162 1HD LYS 18 2HD LYS 18 7.257 -3.356 -8.291 163 2HD LYS 18 1HD LYS 18 6.918 -1.692 -7.819 164 1HE LYS 18 2HE LYS 18 9.207 -2.389 -9.664 165 2HE LYS 18 1HE LYS 18 7.581 -2.080 -10.273 166 1HZ LYS 18 1HZ LYS 18 8.192 0.051 -10.257 167 2HZ LYS 18 2HZ LYS 18 9.545 -0.236 -9.270 168 3HZ LYS 18 3HZ LYS 18 8.010 -0.016 -8.572 169 H ILE 19 H ILE 19 8.105 -1.416 -3.252 170 HA ILE 19 HA ILE 19 9.705 0.873 -4.030 171 HB ILE 19 HB ILE 19 7.408 1.199 -3.340 172 1HG1 ILE 19 2HG1 ILE 19 9.501 2.738 -2.530 173 2HG1 ILE 19 1HG1 ILE 19 7.814 3.162 -2.244 174 1HG2 ILE 19 1HG2 ILE 19 7.025 -0.613 -1.849 175 2HG2 ILE 19 2HG2 ILE 19 6.861 0.841 -0.866 176 3HG2 ILE 19 3HG2 ILE 19 8.339 -0.119 -0.784 177 1HD1 ILE 19 1HD1 ILE 19 9.361 3.248 -0.206 178 2HD1 ILE 19 2HD1 ILE 19 9.401 1.486 -0.290 179 3HD1 ILE 19 3HD1 ILE 19 7.871 2.322 -0.016 180 H LEU 20 H LEU 20 9.934 -1.511 -1.475 181 HA LEU 20 HA LEU 20 11.709 0.029 0.227 182 1HB LEU 20 2HB LEU 20 11.161 -2.943 -0.016 183 2HB LEU 20 1HB LEU 20 12.274 -2.269 1.172 184 HG LEU 20 HG LEU 20 9.363 -1.450 0.925 185 1HD1 LEU 20 1HD1 LEU 20 9.289 -2.768 3.169 186 2HD1 LEU 20 2HD1 LEU 20 10.759 -3.546 2.583 187 3HD1 LEU 20 3HD1 LEU 20 9.261 -3.686 1.663 188 1HD2 LEU 20 1HD2 LEU 20 11.654 -0.738 2.727 189 2HD2 LEU 20 2HD2 LEU 20 10.030 -0.784 3.413 190 3HD2 LEU 20 3HD2 LEU 20 10.390 0.301 2.070 191 H LYS 21 H LYS 21 12.105 -1.953 -2.632 192 HA LYS 21 HA LYS 21 14.805 -2.687 -2.499 193 1HB LYS 21 2HB LYS 21 13.148 -1.736 -4.846 194 2HB LYS 21 1HB LYS 21 14.791 -2.347 -5.032 195 1HG LYS 21 2HG LYS 21 14.123 -4.482 -3.991 196 2HG LYS 21 1HG LYS 21 12.483 -3.870 -3.779 197 1HD LYS 21 2HD LYS 21 12.198 -3.672 -6.191 198 2HD LYS 21 1HD LYS 21 13.873 -4.153 -6.459 199 1HE LYS 21 2HE LYS 21 12.405 -6.079 -6.818 200 2HE LYS 21 1HE LYS 21 13.386 -6.343 -5.376 201 1HZ LYS 21 1HZ LYS 21 11.143 -6.922 -4.883 202 2HZ LYS 21 2HZ LYS 21 10.561 -5.441 -5.477 203 3HZ LYS 21 3HZ LYS 21 11.495 -5.482 -4.058 204 H ALA 22 H ALA 22 16.612 -1.558 -3.846 205 HA ALA 22 HA ALA 22 17.236 0.928 -2.625 206 1HB ALA 22 1HB ALA 22 19.172 0.955 -4.002 207 2HB ALA 22 2HB ALA 22 18.374 0.035 -5.278 208 3HB ALA 22 3HB ALA 22 18.815 -0.755 -3.764 209 H ARG 23 H ARG 23 18.148 2.144 -5.299 210 HA ARG 23 HA ARG 23 15.502 3.271 -6.119 211 1HB ARG 23 2HB ARG 23 18.099 4.794 -5.691 212 2HB ARG 23 1HB ARG 23 16.616 5.483 -6.347 213 1HG ARG 23 2HG ARG 23 16.519 4.060 -3.700 214 2HG ARG 23 1HG ARG 23 17.138 5.709 -3.770 215 1HD ARG 23 2HD ARG 23 14.424 4.823 -4.821 216 2HD ARG 23 1HD ARG 23 14.687 5.673 -3.294 217 HE ARG 23 HE ARG 23 15.877 7.313 -5.200 218 1HH1 ARG 23 1HH2 ARG 23 12.784 5.852 -4.757 219 2HH1 ARG 23 2HH2 ARG 23 11.921 7.136 -5.537 220 1HH2 ARG 23 1HH1 ARG 23 14.748 9.006 -6.226 221 2HH2 ARG 23 2HH1 ARG 23 13.022 8.911 -6.364 222 H TRP 24 H TRP 24 17.581 1.245 -7.235 223 HA TRP 24 HA TRP 24 18.383 2.559 -9.748 224 1HB TRP 24 2HB TRP 24 19.426 0.451 -8.273 225 2HB TRP 24 1HB TRP 24 18.659 -0.355 -9.639 226 HD1 TRP 24 HD TRP 24 19.605 0.153 -12.076 227 HE1 TRP 24 1HE TRP 24 21.830 1.176 -12.889 228 HE3 TRP 24 3HE TRP 24 21.295 2.175 -7.704 229 HZ2 TRP 24 2HZ TRP 24 24.036 2.659 -11.820 230 HZ3 TRP 24 3HZ TRP 24 23.453 3.386 -7.627 231 HH2 TRP 24 HH TRP 24 24.827 3.632 -9.677 232 HA PRO 25 HA PRO 25 15.128 -0.842 -11.170 233 1HB PRO 25 2HB PRO 25 13.335 -0.686 -8.794 234 2HB PRO 25 1HB PRO 25 13.818 -2.100 -9.753 235 1HG PRO 25 2HG PRO 25 14.826 -1.725 -7.349 236 2HG PRO 25 1HG PRO 25 15.856 -2.300 -8.673 237 1HD PRO 25 2HD PRO 25 15.660 0.479 -7.519 238 2HD PRO 25 1HD PRO 25 17.108 -0.445 -7.976 239 H TRP 26 H TRP 26 13.343 -0.191 -12.416 240 HA TRP 26 HA TRP 26 12.678 2.569 -12.533 241 1HB TRP 26 2HB TRP 26 12.336 1.038 -14.434 242 2HB TRP 26 1HB TRP 26 11.079 0.192 -13.533 243 HD1 TRP 26 HD TRP 26 11.824 3.597 -15.142 244 HE1 TRP 26 1HE TRP 26 9.585 4.796 -15.585 245 HE3 TRP 26 3HE TRP 26 8.617 0.328 -12.890 246 HZ2 TRP 26 2HZ TRP 26 6.797 4.415 -15.052 247 HZ3 TRP 26 3HZ TRP 26 6.179 0.767 -12.871 248 HH2 TRP 26 HH TRP 26 5.265 2.804 -13.948 249 H ALA 27 H ALA 27 11.789 3.560 -10.749 250 HA ALA 27 HA ALA 27 9.087 2.769 -9.956 251 1HB ALA 27 1HB ALA 27 10.352 1.253 -8.534 252 2HB ALA 27 2HB ALA 27 9.695 2.548 -7.532 253 3HB ALA 27 3HB ALA 27 11.395 2.571 -7.998 254 H GLU 28 H GLU 28 10.703 5.109 -11.000 255 HA GLU 28 HA GLU 28 10.857 7.143 -8.993 256 1HB GLU 28 2HB GLU 28 10.389 7.365 -11.983 257 2HB GLU 28 1HB GLU 28 10.777 8.724 -10.930 258 1HG GLU 28 2HG GLU 28 12.515 6.263 -11.278 259 2HG GLU 28 1HG GLU 28 12.793 7.810 -12.078 260 H LYS 29 H LYS 29 8.253 6.147 -11.194 261 HA LYS 29 HA LYS 29 6.406 7.952 -9.687 262 1HB LYS 29 2HB LYS 29 6.176 6.770 -12.475 263 2HB LYS 29 1HB LYS 29 4.899 7.691 -11.681 264 1HG LYS 29 2HG LYS 29 6.383 9.638 -11.502 265 2HG LYS 29 1HG LYS 29 7.694 8.724 -12.248 266 1HD LYS 29 2HD LYS 29 6.295 8.428 -14.285 267 2HD LYS 29 1HD LYS 29 5.039 9.418 -13.540 268 1HE LYS 29 2HE LYS 29 7.876 10.390 -13.958 269 2HE LYS 29 1HE LYS 29 6.582 10.665 -15.124 270 1HZ LYS 29 1HZ LYS 29 6.462 11.473 -12.273 271 2HZ LYS 29 2HZ LYS 29 5.340 11.856 -13.490 272 3HZ LYS 29 3HZ LYS 29 6.909 12.511 -13.538 273 H LEU 30 H LEU 30 7.158 5.495 -8.524 274 HA LEU 30 HA LEU 30 5.089 3.516 -9.160 275 1HB LEU 30 2HB LEU 30 7.528 3.103 -8.254 276 2HB LEU 30 1HB LEU 30 6.788 3.395 -6.681 277 HG LEU 30 HG LEU 30 6.724 1.007 -7.123 278 1HD1 LEU 30 1HD1 LEU 30 4.402 0.616 -6.789 279 2HD1 LEU 30 2HD1 LEU 30 3.946 2.032 -7.739 280 3HD1 LEU 30 3HD1 LEU 30 4.683 2.235 -6.149 281 1HD2 LEU 30 1HD2 LEU 30 6.656 1.653 -9.751 282 2HD2 LEU 30 2HD2 LEU 30 4.946 1.299 -9.495 283 3HD2 LEU 30 3HD2 LEU 30 6.164 0.071 -9.145 284 H ILE 31 H ILE 31 3.041 4.087 -8.565 285 HA ILE 31 HA ILE 31 2.344 4.286 -5.784 286 HB ILE 31 HB ILE 31 3.313 6.566 -6.077 287 1HG1 ILE 31 2HG1 ILE 31 0.291 6.669 -5.839 288 2HG1 ILE 31 1HG1 ILE 31 1.343 6.078 -4.553 289 1HG2 ILE 31 1HG2 ILE 31 2.355 8.132 -7.619 290 2HG2 ILE 31 2HG2 ILE 31 1.025 7.040 -8.001 291 3HG2 ILE 31 3HG2 ILE 31 2.660 6.661 -8.541 292 1HD1 ILE 31 1HD1 ILE 31 2.397 8.201 -4.298 293 2HD1 ILE 31 2HD1 ILE 31 0.672 8.545 -4.407 294 3HD1 ILE 31 3HD1 ILE 31 1.713 8.804 -5.808 295 H ALA 32 H ALA 32 1.555 4.576 -9.162 296 HA ALA 32 HA ALA 32 -1.290 4.843 -8.929 297 1HB ALA 32 1HB ALA 32 -1.363 4.172 -11.247 298 2HB ALA 32 2HB ALA 32 0.222 3.408 -11.126 299 3HB ALA 32 3HB ALA 32 0.081 5.164 -11.031 300 H GLU 33 H GLU 33 0.799 1.958 -9.246 301 HA GLU 33 HA GLU 33 -1.155 -0.036 -9.390 302 1HB GLU 33 2HB GLU 33 1.449 -0.077 -7.829 303 2HB GLU 33 1HB GLU 33 0.499 -1.508 -8.228 304 1HG GLU 33 2HG GLU 33 2.093 -1.435 -9.953 305 2HG GLU 33 1HG GLU 33 0.689 -0.661 -10.685 306 H ARG 34 H ARG 34 0.282 1.266 -6.367 307 HA ARG 34 HA ARG 34 -1.444 -0.133 -4.590 308 1HB ARG 34 2HB ARG 34 0.681 1.292 -4.080 309 2HB ARG 34 1HB ARG 34 -0.431 2.655 -4.022 310 1HG ARG 34 2HG ARG 34 -1.789 1.364 -2.306 311 2HG ARG 34 1HG ARG 34 -0.474 0.187 -2.275 312 1HD ARG 34 2HD ARG 34 1.008 2.281 -1.888 313 2HD ARG 34 1HD ARG 34 -0.474 3.047 -1.396 314 HE ARG 34 HE ARG 34 1.092 1.202 0.214 315 1HH1 ARG 34 1HH2 ARG 34 -2.082 1.980 -0.833 316 2HH1 ARG 34 2HH2 ARG 34 -2.857 1.274 0.544 317 1HH2 ARG 34 1HH1 ARG 34 0.106 0.266 2.051 318 2HH2 ARG 34 2HH1 ARG 34 -1.626 0.322 2.174 319 H ASN 35 H ASN 35 -1.782 3.057 -6.127 320 HA ASN 35 HA ASN 35 -4.239 3.758 -4.862 321 1HB ASN 35 2HB ASN 35 -2.949 5.438 -6.089 322 2HB ASN 35 1HB ASN 35 -3.142 4.521 -7.588 323 1HD2 ASN 35 1HD2 ASN 35 -4.279 7.238 -6.234 324 2HD2 ASN 35 2HD2 ASN 35 -5.889 7.226 -6.790 325 H SER 36 H SER 36 -3.551 1.981 -7.875 326 HA SER 36 HA SER 36 -6.082 1.692 -8.977 327 1HB SER 36 2HB SER 36 -3.987 0.642 -9.857 328 2HB SER 36 1HB SER 36 -4.099 -0.574 -8.590 329 HG SER 36 HG SER 36 -5.792 -0.104 -10.794 330 H LEU 37 H LEU 37 -4.856 -1.025 -7.035 331 HA LEU 37 HA LEU 37 -7.194 -2.253 -6.320 332 1HB LEU 37 2HB LEU 37 -4.860 -1.649 -4.487 333 2HB LEU 37 1HB LEU 37 -6.153 -2.769 -4.077 334 HG LEU 37 HG LEU 37 -4.263 -4.020 -4.942 335 1HD1 LEU 37 1HD1 LEU 37 -6.031 -4.048 -7.337 336 2HD1 LEU 37 2HD1 LEU 37 -6.782 -4.390 -5.778 337 3HD1 LEU 37 3HD1 LEU 37 -5.448 -5.391 -6.354 338 1HD2 LEU 37 1HD2 LEU 37 -3.481 -1.940 -6.307 339 2HD2 LEU 37 2HD2 LEU 37 -4.493 -2.611 -7.589 340 3HD2 LEU 37 3HD2 LEU 37 -3.148 -3.551 -6.942 341 H ALA 38 H ALA 38 -5.828 0.590 -4.651 342 HA ALA 38 HA ALA 38 -7.549 0.980 -2.551 343 1HB ALA 38 1HB ALA 38 -6.956 3.218 -2.576 344 2HB ALA 38 2HB ALA 38 -7.082 3.340 -4.331 345 3HB ALA 38 3HB ALA 38 -5.693 2.537 -3.599 346 H LYS 39 H LYS 39 -8.280 1.939 -5.916 347 HA LYS 39 HA LYS 39 -10.926 2.895 -5.363 348 1HB LYS 39 2HB LYS 39 -9.756 3.444 -7.446 349 2HB LYS 39 1HB LYS 39 -9.753 1.742 -7.908 350 1HG LYS 39 2HG LYS 39 -12.349 3.120 -7.274 351 2HG LYS 39 1HG LYS 39 -11.620 3.300 -8.870 352 1HD LYS 39 2HD LYS 39 -11.424 0.577 -8.396 353 2HD LYS 39 1HD LYS 39 -12.992 0.992 -7.704 354 1HE LYS 39 2HE LYS 39 -13.521 2.205 -9.858 355 2HE LYS 39 1HE LYS 39 -12.044 1.517 -10.533 356 1HZ LYS 39 1HZ LYS 39 -14.364 0.007 -9.460 357 2HZ LYS 39 2HZ LYS 39 -12.917 -0.699 -10.002 358 3HZ LYS 39 3HZ LYS 39 -13.917 0.140 -11.090 359 H ASP 40 H ASP 40 -9.839 -0.261 -6.670 360 HA ASP 40 HA ASP 40 -12.431 -1.454 -6.712 361 1HB ASP 40 2HB ASP 40 -9.634 -2.595 -6.528 362 2HB ASP 40 1HB ASP 40 -11.061 -3.631 -6.588 363 H VAL 41 H VAL 41 -9.940 -1.301 -4.182 364 HA VAL 41 HA VAL 41 -11.197 -3.063 -2.325 365 HB VAL 41 HB VAL 41 -9.412 -0.655 -1.865 366 1HG1 VAL 41 1HG1 VAL 41 -10.433 -0.989 0.226 367 2HG1 VAL 41 2HG1 VAL 41 -8.980 -1.982 0.335 368 3HG1 VAL 41 3HG1 VAL 41 -10.539 -2.736 -0.001 369 1HG2 VAL 41 1HG2 VAL 41 -7.640 -2.319 -1.638 370 2HG2 VAL 41 2HG2 VAL 41 -8.449 -2.551 -3.188 371 3HG2 VAL 41 3HG2 VAL 41 -8.803 -3.630 -1.840 372 H ALA 42 H ALA 42 -11.428 0.466 -2.739 373 HA ALA 42 HA ALA 42 -13.108 1.102 -0.601 374 1HB ALA 42 1HB ALA 42 -12.216 2.405 -2.901 375 2HB ALA 42 2HB ALA 42 -13.208 3.115 -1.630 376 3HB ALA 42 3HB ALA 42 -13.973 2.422 -3.060 377 H GLU 43 H GLU 43 -14.042 -0.110 -3.818 378 HA GLU 43 HA GLU 43 -16.842 -0.123 -3.505 379 1HB GLU 43 2HB GLU 43 -15.660 -0.706 -5.617 380 2HB GLU 43 1HB GLU 43 -15.140 -2.224 -4.888 381 1HG GLU 43 2HG GLU 43 -17.482 -2.914 -4.607 382 2HG GLU 43 1HG GLU 43 -18.024 -1.379 -5.284 383 H ILE 44 H ILE 44 -14.671 -2.922 -2.955 384 HA ILE 44 HA ILE 44 -16.498 -4.654 -1.754 385 HB ILE 44 HB ILE 44 -13.665 -4.278 -0.771 386 1HG1 ILE 44 2HG1 ILE 44 -13.539 -4.378 -3.184 387 2HG1 ILE 44 1HG1 ILE 44 -13.070 -5.956 -2.552 388 1HG2 ILE 44 1HG2 ILE 44 -13.784 -6.650 -0.276 389 2HG2 ILE 44 2HG2 ILE 44 -15.382 -6.763 -1.016 390 3HG2 ILE 44 3HG2 ILE 44 -15.161 -5.844 0.474 391 1HD1 ILE 44 1HD1 ILE 44 -14.559 -6.489 -4.295 392 2HD1 ILE 44 2HD1 ILE 44 -15.646 -5.159 -3.896 393 3HD1 ILE 44 3HD1 ILE 44 -15.573 -6.581 -2.854 394 H LYS 45 H LYS 45 -14.785 -1.916 -0.297 395 HA LYS 45 HA LYS 45 -15.427 -2.443 2.432 396 1HB LYS 45 2HB LYS 45 -15.032 0.210 0.998 397 2HB LYS 45 1HB LYS 45 -15.105 0.025 2.750 398 1HG LYS 45 2HG LYS 45 -13.156 -1.607 1.134 399 2HG LYS 45 1HG LYS 45 -12.762 0.048 1.599 400 1HD LYS 45 2HD LYS 45 -13.444 -0.681 3.995 401 2HD LYS 45 1HD LYS 45 -13.282 -2.327 3.387 402 1HE LYS 45 2HE LYS 45 -11.162 -1.709 4.359 403 2HE LYS 45 1HE LYS 45 -10.954 -1.717 2.608 404 1HZ LYS 45 1HZ LYS 45 -11.838 0.819 3.311 405 2HZ LYS 45 2HZ LYS 45 -10.297 0.377 2.747 406 3HZ LYS 45 3HZ LYS 45 -10.614 0.419 4.416 407 H ASN 46 H ASN 46 -17.173 -0.598 -0.061 408 HA ASN 46 HA ASN 46 -19.347 0.250 1.582 409 1HB ASN 46 2HB ASN 46 -18.859 1.154 -0.682 410 2HB ASN 46 1HB ASN 46 -19.338 -0.391 -1.384 411 1HD2 ASN 46 1HD2 ASN 46 -21.254 0.277 -2.463 412 2HD2 ASN 46 2HD2 ASN 46 -22.601 0.923 -1.656 413 H GLN 47 H GLN 47 -18.784 -2.697 -0.301 414 HA GLN 47 HA GLN 47 -21.432 -3.779 0.267 415 1HB GLN 47 2HB GLN 47 -20.876 -5.331 -1.287 416 2HB GLN 47 1HB GLN 47 -19.436 -4.356 -1.574 417 1HG GLN 47 2HG GLN 47 -18.284 -5.658 0.248 418 2HG GLN 47 1HG GLN 47 -19.692 -6.717 0.304 419 1HE2 GLN 47 1HE2 GLN 47 -17.905 -8.361 -0.379 420 2HE2 GLN 47 2HE2 GLN 47 -17.626 -8.538 -2.043 421 H LEU 48 H LEU 48 -18.550 -3.468 2.028 422 HA LEU 48 HA LEU 48 -19.090 -5.839 3.734 423 1HB LEU 48 2HB LEU 48 -16.856 -3.788 3.677 424 2HB LEU 48 1HB LEU 48 -17.035 -4.948 4.992 425 HG LEU 48 HG LEU 48 -16.910 -5.817 2.098 426 1HD1 LEU 48 1HD1 LEU 48 -14.490 -6.389 2.696 427 2HD1 LEU 48 2HD1 LEU 48 -14.678 -5.316 4.083 428 3HD1 LEU 48 3HD1 LEU 48 -14.833 -4.677 2.446 429 1HD2 LEU 48 1HD2 LEU 48 -17.712 -7.590 3.435 430 2HD2 LEU 48 2HD2 LEU 48 -16.695 -7.139 4.801 431 3HD2 LEU 48 3HD2 LEU 48 -15.975 -7.893 3.380 432 H GLY 49 H GLY 49 -20.101 -2.674 3.467 433 1HA GLY 49 2HA GLY 49 -21.220 -1.214 4.913 434 2HA GLY 49 1HA GLY 49 -21.647 -2.661 5.822 435 H ILE 50 H ILE 50 -18.573 -0.853 5.290 436 HA ILE 50 HA ILE 50 -18.439 -0.354 8.200 437 HB ILE 50 HB ILE 50 -15.938 -1.189 8.026 438 1HG1 ILE 50 2HG1 ILE 50 -15.791 -3.237 6.622 439 2HG1 ILE 50 1HG1 ILE 50 -17.377 -2.867 5.944 440 1HG2 ILE 50 1HG2 ILE 50 -18.299 -3.073 8.286 441 2HG2 ILE 50 2HG2 ILE 50 -17.659 -2.048 9.570 442 3HG2 ILE 50 3HG2 ILE 50 -16.678 -3.361 8.920 443 1HD1 ILE 50 1HD1 ILE 50 -15.179 -2.094 4.691 444 2HD1 ILE 50 2HD1 ILE 50 -15.238 -0.765 5.850 445 3HD1 ILE 50 3HD1 ILE 50 -16.588 -1.034 4.747 446 HA PRO 51 HA PRO 51 -16.536 3.447 7.165 447 1HB PRO 51 2HB PRO 51 -14.334 2.710 9.062 448 2HB PRO 51 1HB PRO 51 -15.320 4.187 8.998 449 1HG PRO 51 2HG PRO 51 -15.833 2.401 10.838 450 2HG PRO 51 1HG PRO 51 -17.177 3.129 9.938 451 1HD PRO 51 2HD PRO 51 -15.927 0.412 9.564 452 2HD PRO 51 1HD PRO 51 -17.647 0.858 9.574 453 H ILE 52 H ILE 52 -15.120 4.232 5.643 454 HA ILE 52 HA ILE 52 -13.492 2.416 4.123 455 HB ILE 52 HB ILE 52 -13.390 5.451 4.169 456 1HG1 ILE 52 2HG1 ILE 52 -15.050 3.636 2.397 457 2HG1 ILE 52 1HG1 ILE 52 -15.687 4.456 3.822 458 1HG2 ILE 52 1HG2 ILE 52 -11.528 4.644 2.932 459 2HG2 ILE 52 2HG2 ILE 52 -12.754 4.996 1.714 460 3HG2 ILE 52 3HG2 ILE 52 -12.468 3.331 2.222 461 1HD1 ILE 52 1HD1 ILE 52 -16.050 5.664 1.607 462 2HD1 ILE 52 2HD1 ILE 52 -14.307 5.936 1.572 463 3HD1 ILE 52 3HD1 ILE 52 -15.281 6.616 2.876 464 H ASN 53 H ASN 53 -12.707 4.949 6.508 465 HA ASN 53 HA ASN 53 -9.863 4.561 6.308 466 1HB ASN 53 2HB ASN 53 -11.216 6.551 7.372 467 2HB ASN 53 1HB ASN 53 -11.181 5.548 8.826 468 1HD2 ASN 53 1HD2 ASN 53 -8.781 4.490 9.101 469 2HD2 ASN 53 2HD2 ASN 53 -7.512 5.617 8.970 470 H ASP 54 H ASP 54 -8.474 3.496 7.847 471 HA ASP 54 HA ASP 54 -9.557 1.829 9.946 472 1HB ASP 54 2HB ASP 54 -10.168 0.632 7.758 473 2HB ASP 54 1HB ASP 54 -8.441 0.326 7.587 474 HA PRO 55 HA PRO 55 -5.115 3.095 10.410 475 1HB PRO 55 2HB PRO 55 -5.977 2.728 13.244 476 2HB PRO 55 1HB PRO 55 -5.109 4.088 12.502 477 1HG PRO 55 2HG PRO 55 -7.669 4.305 13.190 478 2HG PRO 55 1HG PRO 55 -7.041 5.069 11.718 479 1HD PRO 55 2HD PRO 55 -8.689 2.575 11.988 480 2HD PRO 55 1HD PRO 55 -8.743 3.836 10.734 481 H GLU 56 H GLU 56 -6.587 0.886 12.805 482 HA GLU 56 HA GLU 56 -4.691 -0.855 13.498 483 1HB GLU 56 2HB GLU 56 -7.310 -1.673 12.203 484 2HB GLU 56 1HB GLU 56 -6.276 -2.772 13.116 485 1HG GLU 56 2HG GLU 56 -7.377 -0.182 14.249 486 2HG GLU 56 1HG GLU 56 -8.150 -1.752 14.473 487 H ARG 57 H ARG 57 -6.317 -1.371 10.353 488 HA ARG 57 HA ARG 57 -4.470 -3.215 9.282 489 1HB ARG 57 2HB ARG 57 -6.688 -1.686 8.341 490 2HB ARG 57 1HB ARG 57 -5.368 -1.450 7.200 491 1HG ARG 57 2HG ARG 57 -6.187 -4.191 8.161 492 2HG ARG 57 1HG ARG 57 -6.892 -3.445 6.731 493 1HD ARG 57 2HD ARG 57 -3.915 -3.763 7.108 494 2HD ARG 57 1HD ARG 57 -4.921 -4.978 6.318 495 HE ARG 57 HE ARG 57 -5.596 -2.750 4.904 496 1HH1 ARG 57 1HH2 ARG 57 -2.585 -4.111 5.924 497 2HH1 ARG 57 2HH2 ARG 57 -1.742 -3.680 4.461 498 1HH2 ARG 57 1HH1 ARG 57 -4.493 -2.164 3.003 499 2HH2 ARG 57 2HH1 ARG 57 -2.825 -2.596 2.817 500 H GLU 58 H GLU 58 -4.473 0.347 9.057 501 HA GLU 58 HA GLU 58 -2.052 0.525 7.516 502 1HB GLU 58 2HB GLU 58 -3.247 2.556 9.434 503 2HB GLU 58 1HB GLU 58 -2.059 2.894 8.174 504 1HG GLU 58 2HG GLU 58 -3.612 2.418 6.432 505 2HG GLU 58 1HG GLU 58 -4.739 1.643 7.546 506 H LYS 59 H LYS 59 -2.734 0.369 10.988 507 HA LYS 59 HA LYS 59 -0.106 1.019 11.926 508 1HB LYS 59 2HB LYS 59 -2.224 -0.797 13.137 509 2HB LYS 59 1HB LYS 59 -0.795 -0.219 13.991 510 1HG LYS 59 2HG LYS 59 -2.764 1.683 12.702 511 2HG LYS 59 1HG LYS 59 -2.970 1.107 14.356 512 1HD LYS 59 2HD LYS 59 -0.711 1.964 14.921 513 2HD LYS 59 1HD LYS 59 -0.553 2.587 13.280 514 1HE LYS 59 2HE LYS 59 -2.487 4.048 13.613 515 2HE LYS 59 1HE LYS 59 -2.732 3.390 15.230 516 1HZ LYS 59 1HZ LYS 59 -1.359 5.583 14.812 517 2HZ LYS 59 2HZ LYS 59 -0.093 4.470 14.595 518 3HZ LYS 59 3HZ LYS 59 -0.958 4.504 16.058 519 H TYR 60 H TYR 60 -1.638 -2.043 10.988 520 HA TYR 60 HA TYR 60 0.500 -3.800 11.645 521 1HB TYR 60 2HB TYR 60 -1.671 -4.700 11.085 522 2HB TYR 60 1HB TYR 60 -1.632 -3.942 9.495 523 HD1 TYR 60 1HD TYR 60 -0.442 -4.939 7.658 524 HD2 TYR 60 2HD TYR 60 -0.127 -6.595 11.611 525 HE1 TYR 60 1HE TYR 60 0.696 -6.938 6.730 526 HE2 TYR 60 2HE TYR 60 1.004 -8.596 10.680 527 HH TYR 60 HH TYR 60 1.514 -8.959 7.171 528 H ILE 61 H ILE 61 -0.090 -1.762 8.822 529 HA ILE 61 HA ILE 61 1.927 -2.827 7.101 530 HB ILE 61 HB ILE 61 0.821 -0.015 7.359 531 1HG1 ILE 61 2HG1 ILE 61 -0.842 -1.718 6.723 532 2HG1 ILE 61 1HG1 ILE 61 -0.487 -0.660 5.358 533 1HG2 ILE 61 1HG2 ILE 61 2.670 -1.264 5.319 534 2HG2 ILE 61 2HG2 ILE 61 2.925 0.207 6.259 535 3HG2 ILE 61 3HG2 ILE 61 1.716 0.179 4.975 536 1HD1 ILE 61 1HD1 ILE 61 -0.302 -2.692 4.292 537 2HD1 ILE 61 2HD1 ILE 61 0.211 -3.536 5.754 538 3HD1 ILE 61 3HD1 ILE 61 1.357 -2.528 4.868 539 H TYR 62 H TYR 62 2.049 -0.261 9.578 540 HA TYR 62 HA TYR 62 4.761 0.519 9.139 541 1HB TYR 62 2HB TYR 62 3.269 0.531 11.791 542 2HB TYR 62 1HB TYR 62 4.637 1.551 11.344 543 HD1 TYR 62 1HD TYR 62 1.689 2.331 12.216 544 HD2 TYR 62 2HD TYR 62 3.707 2.028 8.433 545 HE1 TYR 62 1HE TYR 62 0.148 4.021 11.254 546 HE2 TYR 62 2HE TYR 62 2.163 3.713 7.474 547 HH TYR 62 HH TYR 62 0.708 5.710 8.578 548 H ASP 63 H ASP 63 3.342 -1.854 11.392 549 HA ASP 63 HA ASP 63 5.880 -2.742 12.433 550 1HB ASP 63 2HB ASP 63 3.048 -3.755 12.511 551 2HB ASP 63 1HB ASP 63 4.357 -4.807 13.045 552 H ARG 64 H ARG 64 3.741 -3.857 9.829 553 HA ARG 64 HA ARG 64 5.192 -6.255 9.188 554 1HB ARG 64 2HB ARG 64 2.873 -5.815 8.391 555 2HB ARG 64 1HB ARG 64 3.481 -4.515 7.367 556 1HG ARG 64 2HG ARG 64 3.231 -6.515 6.004 557 2HG ARG 64 1HG ARG 64 4.948 -6.196 6.216 558 1HD ARG 64 2HD ARG 64 3.821 -7.902 8.321 559 2HD ARG 64 1HD ARG 64 3.727 -8.625 6.716 560 HE ARG 64 HE ARG 64 6.356 -7.542 7.118 561 1HH1 ARG 64 1HH2 ARG 64 4.303 -9.860 8.404 562 2HH1 ARG 64 2HH2 ARG 64 5.562 -10.876 9.003 563 1HH2 ARG 64 1HH1 ARG 64 8.096 -8.825 7.811 564 2HH2 ARG 64 2HH1 ARG 64 7.744 -10.294 8.669 565 H ILE 65 H ILE 65 5.243 -3.015 7.665 566 HA ILE 65 HA ILE 65 7.392 -3.575 5.869 567 HB ILE 65 HB ILE 65 6.498 -0.958 7.113 568 1HG1 ILE 65 2HG1 ILE 65 4.789 -2.035 5.710 569 2HG1 ILE 65 1HG1 ILE 65 5.431 -0.606 4.902 570 1HG2 ILE 65 1HG2 ILE 65 7.699 -0.064 4.989 571 2HG2 ILE 65 2HG2 ILE 65 8.555 -1.604 5.014 572 3HG2 ILE 65 3HG2 ILE 65 8.682 -0.502 6.386 573 1HD1 ILE 65 1HD1 ILE 65 5.797 -3.493 4.226 574 2HD1 ILE 65 2HD1 ILE 65 7.128 -2.389 3.877 575 3HD1 ILE 65 3HD1 ILE 65 5.541 -2.114 3.159 576 H ARG 66 H ARG 66 7.353 -2.702 9.276 577 HA ARG 66 HA ARG 66 10.020 -1.792 9.588 578 1HB ARG 66 2HB ARG 66 8.048 -2.039 11.344 579 2HB ARG 66 1HB ARG 66 8.800 -3.597 11.662 580 1HG ARG 66 2HG ARG 66 9.984 -2.318 13.158 581 2HG ARG 66 1HG ARG 66 11.004 -2.075 11.743 582 1HD ARG 66 2HD ARG 66 9.310 -0.090 11.288 583 2HD ARG 66 1HD ARG 66 9.033 -0.209 13.016 584 HE ARG 66 HE ARG 66 11.269 1.044 11.747 585 1HH1 ARG 66 1HH2 ARG 66 10.639 -1.240 14.154 586 2HH1 ARG 66 2HH2 ARG 66 12.069 -0.861 15.081 587 1HH2 ARG 66 1HH1 ARG 66 13.148 1.570 12.865 588 2HH2 ARG 66 2HH1 ARG 66 13.477 0.760 14.364 589 H LYS 67 H LYS 67 8.735 -5.129 9.705 590 HA LYS 67 HA LYS 67 11.250 -6.402 10.226 591 1HB LYS 67 2HB LYS 67 8.722 -7.417 8.892 592 2HB LYS 67 1HB LYS 67 10.089 -8.452 9.301 593 1HG LYS 67 2HG LYS 67 9.861 -7.801 11.681 594 2HG LYS 67 1HG LYS 67 8.475 -6.792 11.266 595 1HD LYS 67 2HD LYS 67 7.257 -8.766 10.444 596 2HD LYS 67 1HD LYS 67 8.648 -9.788 10.805 597 1HE LYS 67 2HE LYS 67 8.455 -9.211 13.199 598 2HE LYS 67 1HE LYS 67 7.067 -8.185 12.841 599 1HZ LYS 67 1HZ LYS 67 6.388 -10.521 11.676 600 2HZ LYS 67 2HZ LYS 67 5.886 -10.026 13.222 601 3HZ LYS 67 3HZ LYS 67 7.227 -11.056 13.049 602 H LEU 68 H LEU 68 9.524 -5.787 7.148 603 HA LEU 68 HA LEU 68 11.587 -6.917 5.479 604 1HB LEU 68 2HB LEU 68 9.504 -4.797 4.869 605 2HB LEU 68 1HB LEU 68 10.503 -5.594 3.657 606 HG LEU 68 HG LEU 68 8.671 -7.093 5.551 607 1HD1 LEU 68 1HD1 LEU 68 7.283 -7.319 3.381 608 2HD1 LEU 68 2HD1 LEU 68 8.213 -5.938 2.799 609 3HD1 LEU 68 3HD1 LEU 68 7.200 -5.777 4.233 610 1HD2 LEU 68 1HD2 LEU 68 10.327 -7.800 3.126 611 2HD2 LEU 68 2HD2 LEU 68 8.925 -8.771 3.574 612 3HD2 LEU 68 3HD2 LEU 68 10.276 -8.604 4.695 613 H CYS 69 H CYS 69 10.953 -3.651 6.720 614 HA CYS 69 HA CYS 69 12.948 -2.268 5.237 615 1HB CYS 69 2HB CYS 69 11.467 -1.796 7.781 616 2HB CYS 69 1HB CYS 69 12.928 -0.843 7.516 617 HG CYS 69 HG CYS 69 10.533 -0.853 5.495 618 H LYS 70 H LYS 70 13.236 -4.557 7.782 619 HA LYS 70 HA LYS 70 16.020 -3.688 8.385 620 1HB LYS 70 2HB LYS 70 13.934 -5.199 9.833 621 2HB LYS 70 1HB LYS 70 15.564 -5.847 10.000 622 1HG LYS 70 2HG LYS 70 15.178 -4.231 11.783 623 2HG LYS 70 1HG LYS 70 16.355 -3.563 10.652 624 1HD LYS 70 2HD LYS 70 14.599 -2.247 9.560 625 2HD LYS 70 1HD LYS 70 13.386 -2.946 10.635 626 1HE LYS 70 2HE LYS 70 14.552 -1.973 12.585 627 2HE LYS 70 1HE LYS 70 15.758 -1.267 11.508 628 1HZ LYS 70 1HZ LYS 70 14.208 0.422 11.909 629 2HZ LYS 70 2HZ LYS 70 12.878 -0.617 11.708 630 3HZ LYS 70 3HZ LYS 70 13.813 -0.162 10.366 631 H GLU 71 H GLU 71 14.158 -6.165 6.801 632 HA GLU 71 HA GLU 71 16.124 -8.251 6.770 633 1HB GLU 71 2HB GLU 71 13.769 -7.593 5.004 634 2HB GLU 71 1HB GLU 71 14.827 -8.959 4.651 635 1HG GLU 71 2HG GLU 71 14.371 -9.923 6.848 636 2HG GLU 71 1HG GLU 71 13.397 -8.521 7.283 637 H HIS 72 H HIS 72 15.257 -5.933 4.162 638 HA HIS 72 HA HIS 72 17.584 -6.710 2.598 639 1HB HIS 72 2HB HIS 72 16.882 -4.798 1.136 640 2HB HIS 72 1HB HIS 72 15.594 -5.961 1.442 641 HD1 HIS 72 1HD HIS 72 16.794 -3.113 3.678 642 HD2 HIS 72 2HD HIS 72 13.356 -4.326 1.650 643 HE1 HIS 72 1HE HIS 72 14.958 -1.497 4.346 644 HE2 HIS 72 2HE HIS 72 12.862 -2.228 3.118 645 H ASN 73 H ASN 73 17.415 -5.003 5.377 646 HA ASN 73 HA ASN 73 18.663 -3.207 6.303 647 1HB ASN 73 2HB ASN 73 20.663 -4.888 4.774 648 2HB ASN 73 1HB ASN 73 21.142 -3.590 5.876 649 1HD2 ASN 73 1HD2 ASN 73 19.219 -3.921 7.942 650 2HD2 ASN 73 2HD2 ASN 73 19.427 -5.445 8.673 651 H VAL 74 H VAL 74 17.410 -2.472 3.767 652 HA VAL 74 HA VAL 74 19.485 -0.948 2.330 653 HB VAL 74 HB VAL 74 16.533 -1.397 1.948 654 1HG1 VAL 74 1HG1 VAL 74 18.276 0.746 0.738 655 2HG1 VAL 74 2HG1 VAL 74 16.668 0.908 1.443 656 3HG1 VAL 74 3HG1 VAL 74 16.870 0.115 -0.120 657 1HG2 VAL 74 1HG2 VAL 74 18.831 -1.678 0.003 658 2HG2 VAL 74 2HG2 VAL 74 17.224 -2.395 -0.111 659 3HG2 VAL 74 3HG2 VAL 74 18.367 -2.975 1.102 660 H ASP 75 H ASP 75 16.886 -0.404 4.645 661 HA ASP 75 HA ASP 75 18.010 2.102 5.501 662 1HB ASP 75 2HB ASP 75 16.256 3.625 4.735 663 2HB ASP 75 1HB ASP 75 17.029 2.858 3.348 664 H GLU 76 H GLU 76 15.969 3.339 6.740 665 HA GLU 76 HA GLU 76 14.380 1.246 8.141 666 1HB GLU 76 2HB GLU 76 16.227 3.258 9.456 667 2HB GLU 76 1HB GLU 76 14.988 2.358 10.332 668 1HG GLU 76 2HG GLU 76 16.019 0.236 9.668 669 2HG GLU 76 1HG GLU 76 17.226 1.102 8.714 670 H ASN 77 H ASN 77 14.799 4.488 9.367 671 HA ASN 77 HA ASN 77 12.059 5.083 9.522 672 1HB ASN 77 2HB ASN 77 12.868 7.529 9.519 673 2HB ASN 77 1HB ASN 77 13.507 6.466 10.771 674 1HD2 ASN 77 1HD2 ASN 77 14.467 8.740 8.501 675 2HD2 ASN 77 2HD2 ASN 77 16.086 8.263 8.311 676 H ILE 78 H ILE 78 14.324 5.999 6.898 677 HA ILE 78 HA ILE 78 12.596 7.548 5.340 678 HB ILE 78 HB ILE 78 14.511 5.462 4.257 679 1HG1 ILE 78 2HG1 ILE 78 15.501 8.186 4.349 680 2HG1 ILE 78 1HG1 ILE 78 15.052 7.638 5.965 681 1HG2 ILE 78 1HG2 ILE 78 13.084 6.408 2.533 682 2HG2 ILE 78 2HG2 ILE 78 14.686 7.130 2.386 683 3HG2 ILE 78 3HG2 ILE 78 13.374 8.040 3.135 684 1HD1 ILE 78 1HD1 ILE 78 17.436 7.106 5.295 685 2HD1 ILE 78 2HD1 ILE 78 16.776 6.009 4.082 686 3HD1 ILE 78 3HD1 ILE 78 16.482 5.709 5.794 687 H GLY 79 H GLY 79 12.797 3.998 5.470 688 1HA GLY 79 2HA GLY 79 10.962 3.435 3.380 689 2HA GLY 79 1HA GLY 79 11.276 2.367 4.748 690 H ILE 80 H ILE 80 10.295 3.635 6.901 691 HA ILE 80 HA ILE 80 7.461 3.329 6.620 692 HB ILE 80 HB ILE 80 9.149 4.575 8.797 693 1HG1 ILE 80 2HG1 ILE 80 8.442 2.461 9.983 694 2HG1 ILE 80 1HG1 ILE 80 7.729 1.917 8.464 695 1HG2 ILE 80 1HG2 ILE 80 6.167 4.155 8.588 696 2HG2 ILE 80 2HG2 ILE 80 7.033 5.617 9.061 697 3HG2 ILE 80 3HG2 ILE 80 6.980 4.230 10.151 698 1HD1 ILE 80 1HD1 ILE 80 10.593 2.837 8.529 699 2HD1 ILE 80 2HD1 ILE 80 9.810 1.727 7.404 700 3HD1 ILE 80 3HD1 ILE 80 10.183 1.200 9.045 701 H LYS 81 H LYS 81 9.508 6.241 6.818 702 HA LYS 81 HA LYS 81 7.468 8.193 6.936 703 1HB LYS 81 2HB LYS 81 9.912 8.656 7.131 704 2HB LYS 81 1HB LYS 81 10.066 8.404 5.394 705 1HG LYS 81 2HG LYS 81 8.491 10.258 4.981 706 2HG LYS 81 1HG LYS 81 8.311 10.493 6.719 707 1HD LYS 81 2HD LYS 81 10.724 10.992 6.903 708 2HD LYS 81 1HD LYS 81 10.899 10.781 5.160 709 1HE LYS 81 2HE LYS 81 9.321 12.636 4.768 710 2HE LYS 81 1HE LYS 81 9.116 12.836 6.509 711 1HZ LYS 81 1HZ LYS 81 11.214 13.777 4.820 712 2HZ LYS 81 2HZ LYS 81 11.825 12.869 6.118 713 3HZ LYS 81 3HZ LYS 81 10.835 14.218 6.413 714 H ILE 82 H ILE 82 8.616 6.316 4.181 715 HA ILE 82 HA ILE 82 7.209 7.965 2.213 716 HB ILE 82 HB ILE 82 8.546 5.257 2.045 717 1HG1 ILE 82 2HG1 ILE 82 9.382 7.936 0.900 718 2HG1 ILE 82 1HG1 ILE 82 9.951 7.334 2.457 719 1HG2 ILE 82 1HG2 ILE 82 7.178 6.968 -0.041 720 2HG2 ILE 82 2HG2 ILE 82 6.918 5.259 0.309 721 3HG2 ILE 82 3HG2 ILE 82 8.410 5.781 -0.470 722 1HD1 ILE 82 1HD1 ILE 82 11.056 5.479 1.453 723 2HD1 ILE 82 2HD1 ILE 82 11.458 6.860 0.433 724 3HD1 ILE 82 3HD1 ILE 82 10.220 5.716 -0.082 725 H PHE 83 H PHE 83 6.654 4.789 3.742 726 HA PHE 83 HA PHE 83 4.365 4.064 2.210 727 1HB PHE 83 2HB PHE 83 5.488 3.290 4.870 728 2HB PHE 83 1HB PHE 83 3.827 2.817 4.510 729 HD1 PHE 83 1HD PHE 83 3.387 1.609 2.271 730 HD2 PHE 83 2HD PHE 83 7.299 2.059 3.992 731 HE1 PHE 83 1HE PHE 83 4.225 -0.248 0.853 732 HE2 PHE 83 2HE PHE 83 8.133 0.202 2.577 733 HZ PHE 83 HZ PHE 83 6.597 -0.952 1.008 734 H GLN 84 H GLN 84 4.507 5.597 5.445 735 HA GLN 84 HA GLN 84 1.797 5.966 5.936 736 1HB GLN 84 2HB GLN 84 2.438 7.927 7.264 737 2HB GLN 84 1HB GLN 84 3.631 6.648 7.474 738 1HG GLN 84 2HG GLN 84 5.118 8.314 7.005 739 2HG GLN 84 1HG GLN 84 4.682 7.963 5.330 740 1HE2 GLN 84 1HE2 GLN 84 4.597 10.396 7.787 741 2HE2 GLN 84 2HE2 GLN 84 3.642 11.522 6.943 742 H ARG 85 H ARG 85 3.883 7.833 3.768 743 HA ARG 85 HA ARG 85 1.947 9.858 3.121 744 1HB ARG 85 2HB ARG 85 4.347 8.794 1.594 745 2HB ARG 85 1HB ARG 85 3.394 10.177 1.063 746 1HG ARG 85 2HG ARG 85 3.933 11.373 3.149 747 2HG ARG 85 1HG ARG 85 4.845 9.977 3.733 748 1HD ARG 85 2HD ARG 85 6.402 11.612 2.762 749 2HD ARG 85 1HD ARG 85 6.354 10.185 1.760 750 HE ARG 85 HE ARG 85 4.413 12.033 0.765 751 1HH1 ARG 85 1HH2 ARG 85 7.819 11.630 1.192 752 2HH1 ARG 85 2HH2 ARG 85 8.253 12.772 -0.039 753 1HH2 ARG 85 1HH1 ARG 85 4.988 13.524 -0.910 754 2HH2 ARG 85 2HH1 ARG 85 6.665 13.835 -1.212 755 H LEU 86 H LEU 86 2.695 6.670 1.748 756 HA LEU 86 HA LEU 86 0.902 6.865 -0.503 757 1HB LEU 86 2HB LEU 86 1.892 4.408 0.975 758 2HB LEU 86 1HB LEU 86 1.141 4.409 -0.619 759 HG LEU 86 HG LEU 86 3.707 5.856 0.095 760 1HD1 LEU 86 1HD1 LEU 86 4.884 4.117 -1.029 761 2HD1 LEU 86 2HD1 LEU 86 3.395 3.422 -1.672 762 3HD1 LEU 86 3HD1 LEU 86 3.755 3.295 0.049 763 1HD2 LEU 86 1HD2 LEU 86 2.026 5.620 -2.381 764 2HD2 LEU 86 2HD2 LEU 86 3.773 5.803 -2.538 765 3HD2 LEU 86 3HD2 LEU 86 2.827 7.042 -1.712 766 H ILE 87 H ILE 87 0.499 5.873 2.861 767 HA ILE 87 HA ILE 87 -2.060 4.612 2.578 768 HB ILE 87 HB ILE 87 -0.986 6.113 4.984 769 1HG1 ILE 87 2HG1 ILE 87 0.658 4.472 4.252 770 2HG1 ILE 87 1HG1 ILE 87 -0.161 3.852 5.686 771 1HG2 ILE 87 1HG2 ILE 87 -3.344 5.571 5.196 772 2HG2 ILE 87 2HG2 ILE 87 -2.417 4.471 6.217 773 3HG2 ILE 87 3HG2 ILE 87 -3.048 3.914 4.666 774 1HD1 ILE 87 1HD1 ILE 87 -1.784 2.737 3.960 775 2HD1 ILE 87 2HD1 ILE 87 -0.210 2.000 4.254 776 3HD1 ILE 87 3HD1 ILE 87 -0.464 2.991 2.818 777 H GLU 88 H GLU 88 -1.139 7.980 3.299 778 HA GLU 88 HA GLU 88 -3.773 9.004 3.677 779 1HB GLU 88 2HB GLU 88 -1.257 10.314 2.604 780 2HB GLU 88 1HB GLU 88 -2.727 11.201 3.005 781 1HG GLU 88 2HG GLU 88 -2.586 10.449 5.331 782 2HG GLU 88 1HG GLU 88 -1.172 9.466 4.947 783 H HIS 89 H HIS 89 -1.761 8.786 0.737 784 HA HIS 89 HA HIS 89 -3.706 9.916 -1.036 785 1HB HIS 89 2HB HIS 89 -2.042 9.651 -2.533 786 2HB HIS 89 1HB HIS 89 -1.084 8.961 -1.229 787 HD1 HIS 89 1HD HIS 89 -2.256 6.223 -0.858 788 HD2 HIS 89 2HD HIS 89 -1.701 7.896 -4.639 789 HE1 HIS 89 1HE HIS 89 -2.092 4.285 -2.483 790 HE2 HIS 89 2HE HIS 89 -1.755 5.293 -4.786 791 H ASN 90 H ASN 90 -3.312 6.729 0.330 792 HA ASN 90 HA ASN 90 -4.975 5.271 -1.508 793 1HB ASN 90 2HB ASN 90 -3.403 4.319 0.273 794 2HB ASN 90 1HB ASN 90 -4.651 4.711 1.455 795 1HD2 ASN 90 1HD2 ASN 90 -6.857 3.674 1.045 796 2HD2 ASN 90 2HD2 ASN 90 -6.903 2.159 0.280 797 H LYS 91 H LYS 91 -5.645 6.986 1.547 798 HA LYS 91 HA LYS 91 -8.469 6.380 1.595 799 1HB LYS 91 2HB LYS 91 -6.860 8.614 2.885 800 2HB LYS 91 1HB LYS 91 -8.560 8.295 3.229 801 1HG LYS 91 2HG LYS 91 -7.985 6.020 3.995 802 2HG LYS 91 1HG LYS 91 -6.285 6.329 3.644 803 1HD LYS 91 2HD LYS 91 -6.305 8.207 5.271 804 2HD LYS 91 1HD LYS 91 -7.986 7.839 5.654 805 1HE LYS 91 2HE LYS 91 -7.327 5.582 6.406 806 2HE LYS 91 1HE LYS 91 -5.645 5.941 6.016 807 1HZ LYS 91 1HZ LYS 91 -7.135 6.636 8.332 808 2HZ LYS 91 2HZ LYS 91 -6.502 8.028 7.593 809 3HZ LYS 91 3HZ LYS 91 -5.467 6.762 8.054 810 H ALA 92 H ALA 92 -6.584 9.173 0.481 811 HA ALA 92 HA ALA 92 -8.545 10.986 -0.214 812 1HB ALA 92 1HB ALA 92 -6.071 11.266 -0.563 813 2HB ALA 92 2HB ALA 92 -7.059 11.834 -1.909 814 3HB ALA 92 3HB ALA 92 -6.226 10.285 -2.021 815 H LEU 93 H LEU 93 -7.275 8.637 -2.626 816 HA LEU 93 HA LEU 93 -9.477 9.203 -4.405 817 1HB LEU 93 2HB LEU 93 -8.344 7.948 -5.950 818 2HB LEU 93 1HB LEU 93 -7.021 8.288 -4.847 819 HG LEU 93 HG LEU 93 -6.911 5.962 -5.360 820 1HD1 LEU 93 1HD1 LEU 93 -6.521 5.407 -3.225 821 2HD1 LEU 93 2HD1 LEU 93 -8.248 5.377 -2.876 822 3HD1 LEU 93 3HD1 LEU 93 -7.349 6.887 -2.741 823 1HD2 LEU 93 1HD2 LEU 93 -8.701 4.694 -5.849 824 2HD2 LEU 93 2HD2 LEU 93 -9.659 6.169 -5.729 825 3HD2 LEU 93 3HD2 LEU 93 -9.500 5.106 -4.332 826 H GLN 94 H GLN 94 -9.061 6.964 -1.803 827 HA GLN 94 HA GLN 94 -11.066 5.044 -2.609 828 1HB GLN 94 2HB GLN 94 -9.489 5.670 -0.207 829 2HB GLN 94 1HB GLN 94 -11.103 5.058 0.154 830 1HG GLN 94 2HG GLN 94 -10.720 3.107 -1.277 831 2HG GLN 94 1HG GLN 94 -9.121 3.715 -1.715 832 1HE2 GLN 94 1HE2 GLN 94 -9.464 4.651 1.432 833 2HE2 GLN 94 2HE2 GLN 94 -8.767 3.302 2.212 834 H LYS 95 H LYS 95 -11.187 7.684 -0.192 835 HA LYS 95 HA LYS 95 -14.028 7.579 0.156 836 1HB LYS 95 2HB LYS 95 -12.042 9.823 0.653 837 2HB LYS 95 1HB LYS 95 -13.725 9.865 1.173 838 1HG LYS 95 2HG LYS 95 -13.354 7.818 2.519 839 2HG LYS 95 1HG LYS 95 -11.662 7.803 2.016 840 1HD LYS 95 2HD LYS 95 -11.333 10.027 3.040 841 2HD LYS 95 1HD LYS 95 -13.022 10.046 3.543 842 1HE LYS 95 2HE LYS 95 -12.633 8.025 4.914 843 2HE LYS 95 1HE LYS 95 -10.939 8.024 4.425 844 1HZ LYS 95 1HZ LYS 95 -12.237 10.328 5.767 845 2HZ LYS 95 2HZ LYS 95 -10.577 10.079 5.508 846 3HZ LYS 95 3HZ LYS 95 -11.421 9.105 6.614 847 H GLN 96 H GLN 96 -11.955 9.598 -1.927 848 HA GLN 96 HA GLN 96 -14.081 11.224 -2.961 849 1HB GLN 96 2HB GLN 96 -11.368 10.492 -4.098 850 2HB GLN 96 1HB GLN 96 -12.444 11.681 -4.832 851 1HG GLN 96 2HG GLN 96 -11.459 11.829 -1.967 852 2HG GLN 96 1HG GLN 96 -10.714 12.691 -3.312 853 1HE2 GLN 96 1HE2 GLN 96 -12.301 14.159 -4.593 854 2HE2 GLN 96 2HE2 GLN 96 -13.494 14.966 -3.694 855 H TYR 97 H TYR 97 -12.659 8.159 -4.019 856 HA TYR 97 HA TYR 97 -14.061 7.952 -6.510 857 1HB TYR 97 2HB TYR 97 -12.161 6.526 -6.111 858 2HB TYR 97 1HB TYR 97 -12.892 5.870 -4.647 859 HD1 TYR 97 1HD TYR 97 -14.286 3.961 -4.746 860 HD2 TYR 97 2HD TYR 97 -13.373 6.124 -8.343 861 HE1 TYR 97 1HE TYR 97 -15.400 2.198 -6.088 862 HE2 TYR 97 2HE TYR 97 -14.485 4.359 -9.686 863 HH TYR 97 HH TYR 97 -15.360 2.287 -9.633 864 H LEU 98 H LEU 98 -14.775 6.495 -3.314 865 HA LEU 98 HA LEU 98 -17.222 5.256 -4.078 866 1HB LEU 98 2HB LEU 98 -16.273 6.302 -1.399 867 2HB LEU 98 1HB LEU 98 -17.765 5.388 -1.601 868 HG LEU 98 HG LEU 98 -15.012 4.386 -2.400 869 1HD1 LEU 98 1HD1 LEU 98 -14.991 4.443 -0.035 870 2HD1 LEU 98 2HD1 LEU 98 -15.528 2.804 -0.405 871 3HD1 LEU 98 3HD1 LEU 98 -16.701 4.029 0.076 872 1HD2 LEU 98 1HD2 LEU 98 -16.489 3.139 -3.703 873 2HD2 LEU 98 2HD2 LEU 98 -17.804 3.286 -2.536 874 3HD2 LEU 98 3HD2 LEU 98 -16.469 2.176 -2.226 875 H GLU 99 H GLU 99 -16.553 8.513 -2.811 876 HA GLU 99 HA GLU 99 -19.290 9.352 -2.586 877 1HB GLU 99 2HB GLU 99 -16.707 10.881 -2.957 878 2HB GLU 99 1HB GLU 99 -18.268 11.680 -2.766 879 1HG GLU 99 2HG GLU 99 -18.598 10.604 -0.597 880 2HG GLU 99 1HG GLU 99 -17.098 9.697 -0.793 881 H GLU 100 H GLU 100 -16.937 9.546 -5.241 882 HA GLU 100 HA GLU 100 -18.669 11.083 -6.967 883 1HB GLU 100 2HB GLU 100 -16.909 11.082 -8.407 884 2HB GLU 100 1HB GLU 100 -16.030 10.491 -7.001 885 1HG GLU 100 2HG GLU 100 -15.449 8.944 -8.666 886 2HG GLU 100 1HG GLU 100 -16.763 8.126 -7.821 887 H THR 101 H THR 101 -18.571 7.743 -6.128 888 HA THR 101 HA THR 101 -19.966 6.880 -8.580 889 HB THR 101 HB THR 101 -20.174 4.708 -7.194 890 HG1 THR 101 1HG THR 101 -19.518 6.194 -5.283 891 1HG2 THR 101 1HG2 THR 101 -17.464 5.865 -7.896 892 2HG2 THR 101 2HG2 THR 101 -18.532 4.978 -8.982 893 3HG2 THR 101 3HG2 THR 101 -17.781 4.154 -7.614 894 H LEU 102 H LEU 102 -20.715 7.842 -5.293 895 HA LEU 102 HA LEU 102 -23.441 6.843 -5.292 896 1HB LEU 102 2HB LEU 102 -22.080 8.988 -3.628 897 2HB LEU 102 1HB LEU 102 -23.720 8.408 -3.340 898 HG LEU 102 HG LEU 102 -21.287 6.603 -3.393 899 1HD1 LEU 102 1HD1 LEU 102 -22.804 7.664 -0.992 900 2HD1 LEU 102 2HD1 LEU 102 -21.235 8.275 -1.518 901 3HD1 LEU 102 3HD1 LEU 102 -21.394 6.608 -0.964 902 1HD2 LEU 102 1HD2 LEU 102 -24.222 6.266 -2.858 903 2HD2 LEU 102 2HD2 LEU 102 -23.078 5.235 -1.999 904 3HD2 LEU 102 3HD2 LEU 102 -23.127 5.220 -3.762 905 H GLU 103 H GLU 103 -21.864 9.770 -6.402 906 HA GLU 103 HA GLU 103 -24.129 11.490 -6.633 907 1HB GLU 103 2HB GLU 103 -21.607 11.263 -8.302 908 2HB GLU 103 1HB GLU 103 -22.771 12.574 -8.469 909 1HG GLU 103 2HG GLU 103 -22.407 13.241 -6.148 910 2HG GLU 103 1HG GLU 103 -21.314 11.876 -5.903 911 H HIS 104 H HIS 104 -22.646 9.280 -8.978 912 HA HIS 104 HA HIS 104 -24.781 9.679 -10.952 913 1HB HIS 104 2HB HIS 104 -22.406 7.781 -10.793 914 2HB HIS 104 1HB HIS 104 -23.564 7.745 -12.121 915 HD1 HIS 104 1HD HIS 104 -20.883 9.914 -10.582 916 HD2 HIS 104 2HD HIS 104 -23.330 9.897 -13.962 917 HE1 HIS 104 1HE HIS 104 -20.078 11.809 -12.062 918 HE2 HIS 104 2HE HIS 104 -21.560 11.809 -14.119 919 H2 TSA 501 1H2 TSA 501 -4.488 -0.433 4.869 920 H3 TSA 501 1H3 TSA 501 -6.665 -0.477 6.073 921 H4 TSA 501 4H TSA 501 -8.569 0.818 5.177 922 HO5 TSA 501 HO5 TSA 501 -7.104 1.808 6.795 923 H5 TSA 501 5H TSA 501 -7.997 2.893 3.679 924 1H6 TSA 501 1H6 TSA 501 -5.914 2.658 2.290 925 2H6 TSA 501 2H6 TSA 501 -5.457 2.755 3.931 926 H8 TSA 501 8H TSA 501 -7.996 -0.141 1.045 927 1H9 TSA 501 1H9 TSA 501 -5.678 -1.011 1.909 928 2H9 TSA 501 2H9 TSA 501 -5.727 0.375 0.989 Start of MODEL 7 1 1H MET 1 1HT MET 1 -15.999 -16.353 1.940 2 2H MET 1 2HT MET 1 -14.611 -15.793 1.137 3 3H MET 1 3HT MET 1 -16.045 -16.072 0.269 4 HA MET 1 HA MET 1 -16.538 -13.934 0.536 5 1HB MET 1 2HB MET 1 -16.662 -14.825 3.441 6 2HB MET 1 1HB MET 1 -17.285 -13.281 2.857 7 1HG MET 1 2HG MET 1 -19.171 -14.713 2.853 8 2HG MET 1 1HG MET 1 -18.651 -14.670 1.169 9 1HE MET 1 1HE MET 1 -19.465 -17.390 4.127 10 2HE MET 1 2HE MET 1 -18.282 -16.139 4.495 11 3HE MET 1 3HE MET 1 -17.758 -17.812 4.324 12 H ILE 2 H ILE 2 -15.765 -11.804 1.382 13 HA ILE 2 HA ILE 2 -13.987 -10.309 1.755 14 HB ILE 2 HB ILE 2 -13.305 -12.460 3.797 15 1HG1 ILE 2 2HG1 ILE 2 -14.780 -9.837 4.198 16 2HG1 ILE 2 1HG1 ILE 2 -15.611 -11.366 3.917 17 1HG2 ILE 2 1HG2 ILE 2 -11.367 -11.162 3.699 18 2HG2 ILE 2 2HG2 ILE 2 -12.306 -10.297 4.915 19 3HG2 ILE 2 3HG2 ILE 2 -12.247 -9.697 3.259 20 1HD1 ILE 2 1HD1 ILE 2 -14.460 -12.331 5.904 21 2HD1 ILE 2 2HD1 ILE 2 -15.465 -10.944 6.329 22 3HD1 ILE 2 3HD1 ILE 2 -13.714 -10.763 6.209 23 H GLU 3 H GLU 3 -13.570 -13.202 0.286 24 HA GLU 3 HA GLU 3 -10.713 -13.555 0.287 25 1HB GLU 3 2HB GLU 3 -12.847 -14.346 -1.722 26 2HB GLU 3 1HB GLU 3 -11.157 -14.827 -1.862 27 1HG GLU 3 2HG GLU 3 -11.274 -15.960 0.314 28 2HG GLU 3 1HG GLU 3 -12.949 -15.443 0.509 29 H LYS 4 H LYS 4 -12.935 -11.701 -1.772 30 HA LYS 4 HA LYS 4 -11.101 -10.895 -3.782 31 1HB LYS 4 2HB LYS 4 -13.481 -9.420 -2.609 32 2HB LYS 4 1HB LYS 4 -12.659 -8.951 -4.097 33 1HG LYS 4 2HG LYS 4 -14.154 -10.321 -5.131 34 2HG LYS 4 1HG LYS 4 -13.145 -11.633 -4.524 35 1HD LYS 4 2HD LYS 4 -15.275 -12.238 -3.750 36 2HD LYS 4 1HD LYS 4 -14.583 -11.414 -2.354 37 1HE LYS 4 2HE LYS 4 -15.748 -9.351 -2.936 38 2HE LYS 4 1HE LYS 4 -16.354 -10.077 -4.424 39 1HZ LYS 4 1HZ LYS 4 -17.381 -10.275 -1.777 40 2HZ LYS 4 2HZ LYS 4 -17.077 -11.817 -2.424 41 3HZ LYS 4 3HZ LYS 4 -18.098 -10.734 -3.244 42 H LEU 5 H LEU 5 -11.872 -9.382 -0.650 43 HA LEU 5 HA LEU 5 -10.172 -7.093 -0.918 44 1HB LEU 5 2HB LEU 5 -11.961 -7.358 0.803 45 2HB LEU 5 1HB LEU 5 -10.994 -8.598 1.593 46 HG LEU 5 HG LEU 5 -9.581 -6.040 1.122 47 1HD1 LEU 5 1HD1 LEU 5 -11.678 -5.039 1.707 48 2HD1 LEU 5 2HD1 LEU 5 -10.738 -5.074 3.198 49 3HD1 LEU 5 3HD1 LEU 5 -12.003 -6.271 2.927 50 1HD2 LEU 5 1HD2 LEU 5 -9.991 -7.637 3.666 51 2HD2 LEU 5 2HD2 LEU 5 -8.674 -6.527 3.290 52 3HD2 LEU 5 3HD2 LEU 5 -8.786 -8.076 2.455 53 H ALA 6 H ALA 6 -9.592 -10.390 0.226 54 HA ALA 6 HA ALA 6 -6.970 -9.927 1.290 55 1HB ALA 6 1HB ALA 6 -6.732 -12.348 1.246 56 2HB ALA 6 2HB ALA 6 -8.066 -12.492 0.102 57 3HB ALA 6 3HB ALA 6 -8.374 -11.951 1.753 58 H GLU 7 H GLU 7 -7.854 -11.567 -1.775 59 HA GLU 7 HA GLU 7 -5.289 -11.716 -2.870 60 1HB GLU 7 2HB GLU 7 -7.926 -11.237 -4.290 61 2HB GLU 7 1HB GLU 7 -6.425 -11.656 -5.119 62 1HG GLU 7 2HG GLU 7 -6.290 -13.760 -3.874 63 2HG GLU 7 1HG GLU 7 -7.736 -13.335 -2.957 64 H ILE 8 H ILE 8 -7.506 -8.964 -2.879 65 HA ILE 8 HA ILE 8 -6.032 -7.303 -4.670 66 HB ILE 8 HB ILE 8 -7.933 -6.691 -2.399 67 1HG1 ILE 8 2HG1 ILE 8 -8.210 -6.273 -5.391 68 2HG1 ILE 8 1HG1 ILE 8 -8.733 -7.745 -4.573 69 1HG2 ILE 8 1HG2 ILE 8 -7.853 -4.385 -3.819 70 2HG2 ILE 8 2HG2 ILE 8 -6.169 -4.889 -3.962 71 3HG2 ILE 8 3HG2 ILE 8 -6.887 -4.654 -2.368 72 1HD1 ILE 8 1HD1 ILE 8 -10.245 -6.421 -3.143 73 2HD1 ILE 8 2HD1 ILE 8 -10.615 -6.158 -4.848 74 3HD1 ILE 8 3HD1 ILE 8 -9.711 -4.944 -3.943 75 H ARG 9 H ARG 9 -5.956 -7.522 -1.105 76 HA ARG 9 HA ARG 9 -3.860 -5.569 -0.769 77 1HB ARG 9 2HB ARG 9 -4.840 -7.809 1.039 78 2HB ARG 9 1HB ARG 9 -3.654 -6.604 1.532 79 1HG ARG 9 2HG ARG 9 -5.461 -4.872 0.757 80 2HG ARG 9 1HG ARG 9 -6.575 -6.227 0.878 81 1HD ARG 9 2HD ARG 9 -5.823 -6.575 3.257 82 2HD ARG 9 1HD ARG 9 -4.836 -5.123 3.110 83 HE ARG 9 HE ARG 9 -7.409 -4.302 2.374 84 1HH1 ARG 9 1HH2 ARG 9 -6.146 -6.170 4.957 85 2HH1 ARG 9 2HH2 ARG 9 -6.957 -5.277 6.206 86 1HH2 ARG 9 1HH1 ARG 9 -8.640 -3.217 3.973 87 2HH2 ARG 9 2HH1 ARG 9 -8.339 -3.568 5.640 88 H LYS 10 H LYS 10 -3.892 -8.913 -1.678 89 HA LYS 10 HA LYS 10 -1.170 -9.584 -0.980 90 1HB LYS 10 2HB LYS 10 -2.976 -11.243 -1.574 91 2HB LYS 10 1HB LYS 10 -2.859 -10.693 -3.244 92 1HG LYS 10 2HG LYS 10 -0.463 -11.333 -3.272 93 2HG LYS 10 1HG LYS 10 -0.618 -11.937 -1.623 94 1HD LYS 10 2HD LYS 10 -2.424 -12.935 -3.824 95 2HD LYS 10 1HD LYS 10 -0.835 -13.651 -3.554 96 1HE LYS 10 2HE LYS 10 -1.513 -13.985 -1.131 97 2HE LYS 10 1HE LYS 10 -3.146 -13.511 -1.598 98 1HZ LYS 10 1HZ LYS 10 -3.305 -15.341 -3.066 99 2HZ LYS 10 2HZ LYS 10 -2.695 -15.958 -1.605 100 3HZ LYS 10 3HZ LYS 10 -1.655 -15.705 -2.924 101 H LYS 11 H LYS 11 -2.712 -8.155 -3.853 102 HA LYS 11 HA LYS 11 -0.425 -8.093 -5.561 103 1HB LYS 11 2HB LYS 11 -2.569 -5.948 -5.421 104 2HB LYS 11 1HB LYS 11 -1.592 -6.394 -6.818 105 1HG LYS 11 2HG LYS 11 -2.690 -8.780 -6.412 106 2HG LYS 11 1HG LYS 11 -3.933 -7.821 -5.609 107 1HD LYS 11 2HD LYS 11 -4.183 -6.435 -7.642 108 2HD LYS 11 1HD LYS 11 -2.948 -7.401 -8.447 109 1HE LYS 11 2HE LYS 11 -4.362 -9.424 -8.142 110 2HE LYS 11 1HE LYS 11 -5.614 -8.416 -7.416 111 1HZ LYS 11 1HZ LYS 11 -4.874 -8.728 -10.185 112 2HZ LYS 11 2HZ LYS 11 -5.081 -7.111 -9.708 113 3HZ LYS 11 3HZ LYS 11 -6.345 -8.228 -9.506 114 H ILE 12 H ILE 12 -1.593 -5.793 -3.100 115 HA ILE 12 HA ILE 12 0.374 -3.766 -3.499 116 HB ILE 12 HB ILE 12 -0.823 -4.559 -0.825 117 1HG1 ILE 12 2HG1 ILE 12 -2.695 -4.411 -2.325 118 2HG1 ILE 12 1HG1 ILE 12 -2.626 -2.871 -1.470 119 1HG2 ILE 12 1HG2 ILE 12 -0.282 -1.774 -1.825 120 2HG2 ILE 12 2HG2 ILE 12 1.039 -2.744 -1.171 121 3HG2 ILE 12 3HG2 ILE 12 -0.359 -2.365 -0.165 122 1HD1 ILE 12 1HD1 ILE 12 -1.174 -2.071 -3.473 123 2HD1 ILE 12 2HD1 ILE 12 -2.913 -2.235 -3.724 124 3HD1 ILE 12 3HD1 ILE 12 -1.816 -3.486 -4.308 125 H ASP 13 H ASP 13 0.393 -6.757 -1.601 126 HA ASP 13 HA ASP 13 2.781 -6.418 -0.138 127 1HB ASP 13 2HB ASP 13 1.135 -8.357 -0.012 128 2HB ASP 13 1HB ASP 13 1.914 -9.003 -1.456 129 H GLU 14 H GLU 14 2.330 -7.654 -3.455 130 HA GLU 14 HA GLU 14 5.101 -8.134 -4.002 131 1HB GLU 14 2HB GLU 14 2.825 -7.419 -5.882 132 2HB GLU 14 1HB GLU 14 4.403 -8.006 -6.400 133 1HG GLU 14 2HG GLU 14 2.538 -9.520 -4.547 134 2HG GLU 14 1HG GLU 14 2.686 -9.821 -6.279 135 H ILE 15 H ILE 15 3.146 -5.231 -3.985 136 HA ILE 15 HA ILE 15 5.165 -3.627 -5.409 137 HB ILE 15 HB ILE 15 2.516 -3.030 -4.092 138 1HG1 ILE 15 2HG1 ILE 15 2.242 -1.981 -6.469 139 2HG1 ILE 15 1HG1 ILE 15 3.654 -2.951 -6.886 140 1HG2 ILE 15 1HG2 ILE 15 3.725 -1.123 -3.427 141 2HG2 ILE 15 2HG2 ILE 15 3.023 -0.631 -4.967 142 3HG2 ILE 15 3HG2 ILE 15 4.713 -1.127 -4.889 143 1HD1 ILE 15 1HD1 ILE 15 1.581 -4.175 -7.394 144 2HD1 ILE 15 2HD1 ILE 15 1.059 -4.004 -5.719 145 3HD1 ILE 15 3HD1 ILE 15 2.474 -4.983 -6.106 146 H ASP 16 H ASP 16 3.878 -3.913 -2.097 147 HA ASP 16 HA ASP 16 5.314 -1.915 -0.785 148 1HB ASP 16 2HB ASP 16 4.598 -4.716 0.121 149 2HB ASP 16 1HB ASP 16 5.290 -3.507 1.202 150 H ASN 17 H ASN 17 6.434 -5.291 -1.264 151 HA ASN 17 HA ASN 17 9.094 -4.834 -0.291 152 1HB ASN 17 2HB ASN 17 7.950 -7.078 -0.630 153 2HB ASN 17 1HB ASN 17 8.282 -6.884 -2.353 154 1HD2 ASN 17 1HD2 ASN 17 9.931 -8.514 -2.546 155 2HD2 ASN 17 2HD2 ASN 17 11.400 -8.440 -1.676 156 H LYS 18 H LYS 18 7.659 -4.596 -3.518 157 HA LYS 18 HA LYS 18 10.058 -4.313 -5.015 158 1HB LYS 18 2HB LYS 18 7.730 -4.665 -5.930 159 2HB LYS 18 1HB LYS 18 7.404 -2.966 -5.598 160 1HG LYS 18 2HG LYS 18 9.256 -2.309 -7.097 161 2HG LYS 18 1HG LYS 18 9.601 -4.009 -7.419 162 1HD LYS 18 2HD LYS 18 7.259 -4.266 -8.290 163 2HD LYS 18 1HD LYS 18 7.041 -2.527 -8.101 164 1HE LYS 18 2HE LYS 18 9.254 -3.756 -9.769 165 2HE LYS 18 1HE LYS 18 7.701 -3.254 -10.435 166 1HZ LYS 18 1HZ LYS 18 8.724 -1.177 -8.844 167 2HZ LYS 18 2HZ LYS 18 8.426 -1.179 -10.516 168 3HZ LYS 18 3HZ LYS 18 9.939 -1.670 -9.920 169 H ILE 19 H ILE 19 8.027 -1.824 -3.450 170 HA ILE 19 HA ILE 19 9.653 0.380 -4.357 171 HB ILE 19 HB ILE 19 7.347 0.745 -3.669 172 1HG1 ILE 19 2HG1 ILE 19 9.457 2.353 -3.055 173 2HG1 ILE 19 1HG1 ILE 19 7.775 2.809 -2.793 174 1HG2 ILE 19 1HG2 ILE 19 6.841 0.619 -1.170 175 2HG2 ILE 19 2HG2 ILE 19 8.328 -0.317 -1.012 176 3HG2 ILE 19 3HG2 ILE 19 7.003 -0.922 -2.008 177 1HD1 ILE 19 1HD1 ILE 19 9.337 3.123 -0.799 178 2HD1 ILE 19 2HD1 ILE 19 9.413 1.365 -0.702 179 3HD1 ILE 19 3HD1 ILE 19 7.872 2.192 -0.480 180 H LEU 20 H LEU 20 9.804 -1.763 -1.580 181 HA LEU 20 HA LEU 20 11.645 -0.177 -0.021 182 1HB LEU 20 2HB LEU 20 10.931 -3.113 -0.076 183 2HB LEU 20 1HB LEU 20 12.204 -2.505 0.978 184 HG LEU 20 HG LEU 20 9.368 -1.425 0.971 185 1HD1 LEU 20 1HD1 LEU 20 9.202 -3.685 1.717 186 2HD1 LEU 20 2HD1 LEU 20 9.271 -2.711 3.186 187 3HD1 LEU 20 3HD1 LEU 20 10.706 -3.573 2.631 188 1HD2 LEU 20 1HD2 LEU 20 11.865 -0.914 2.556 189 2HD2 LEU 20 2HD2 LEU 20 10.310 -0.805 3.380 190 3HD2 LEU 20 3HD2 LEU 20 10.647 0.230 1.992 191 H LYS 21 H LYS 21 11.997 -2.528 -2.632 192 HA LYS 21 HA LYS 21 14.942 -2.515 -2.382 193 1HB LYS 21 2HB LYS 21 13.763 -4.634 -2.952 194 2HB LYS 21 1HB LYS 21 13.164 -3.881 -4.428 195 1HG LYS 21 2HG LYS 21 15.458 -3.562 -5.233 196 2HG LYS 21 1HG LYS 21 16.094 -4.250 -3.739 197 1HD LYS 21 2HD LYS 21 14.944 -6.392 -4.246 198 2HD LYS 21 1HD LYS 21 14.352 -5.703 -5.758 199 1HE LYS 21 2HE LYS 21 17.294 -5.904 -5.053 200 2HE LYS 21 1HE LYS 21 16.437 -7.112 -6.008 201 1HZ LYS 21 1HZ LYS 21 15.767 -4.760 -7.194 202 2HZ LYS 21 2HZ LYS 21 16.955 -5.841 -7.746 203 3HZ LYS 21 3HZ LYS 21 17.392 -4.517 -6.774 204 H ALA 22 H ALA 22 15.714 -0.523 -3.040 205 HA ALA 22 HA ALA 22 15.218 0.190 -5.884 206 1HB ALA 22 1HB ALA 22 14.949 2.585 -5.255 207 2HB ALA 22 2HB ALA 22 14.973 2.120 -3.555 208 3HB ALA 22 3HB ALA 22 13.659 1.577 -4.599 209 H ARG 23 H ARG 23 17.507 -1.063 -4.869 210 HA ARG 23 HA ARG 23 19.604 0.756 -4.112 211 1HB ARG 23 2HB ARG 23 19.677 -1.995 -5.408 212 2HB ARG 23 1HB ARG 23 21.132 -1.129 -4.926 213 1HG ARG 23 2HG ARG 23 20.394 -1.081 -2.598 214 2HG ARG 23 1HG ARG 23 18.855 -1.827 -3.033 215 1HD ARG 23 2HD ARG 23 20.355 -3.518 -2.063 216 2HD ARG 23 1HD ARG 23 20.143 -3.874 -3.785 217 HE ARG 23 HE ARG 23 22.450 -2.263 -3.687 218 1HH1 ARG 23 1HH2 ARG 23 21.314 -5.168 -2.166 219 2HH1 ARG 23 2HH2 ARG 23 22.876 -5.917 -2.095 220 1HH2 ARG 23 1HH1 ARG 23 24.519 -3.252 -3.581 221 2HH2 ARG 23 2HH1 ARG 23 24.684 -4.834 -2.890 222 H TRP 24 H TRP 24 18.545 -0.550 -7.264 223 HA TRP 24 HA TRP 24 20.276 1.506 -8.594 224 1HB TRP 24 2HB TRP 24 20.237 -1.253 -8.977 225 2HB TRP 24 1HB TRP 24 19.252 -0.642 -10.303 226 HD1 TRP 24 HD TRP 24 22.724 0.046 -8.717 227 HE1 TRP 24 1HE TRP 24 24.326 0.753 -10.613 228 HE3 TRP 24 3HE TRP 24 19.467 0.083 -12.639 229 HZ2 TRP 24 2HZ TRP 24 24.228 1.266 -13.433 230 HZ3 TRP 24 3HZ TRP 24 20.238 0.682 -14.914 231 HH2 TRP 24 HH TRP 24 22.611 1.273 -15.317 232 HA PRO 25 HA PRO 25 15.908 1.202 -10.879 233 1HB PRO 25 2HB PRO 25 14.294 0.437 -8.494 234 2HB PRO 25 1HB PRO 25 14.130 -0.081 -10.183 235 1HG PRO 25 2HG PRO 25 15.117 -1.737 -8.390 236 2HG PRO 25 1HG PRO 25 15.836 -1.637 -10.008 237 1HD PRO 25 2HD PRO 25 16.840 -0.434 -7.432 238 2HD PRO 25 1HD PRO 25 17.752 -1.272 -8.707 239 H TRP 26 H TRP 26 14.787 3.135 -11.057 240 HA TRP 26 HA TRP 26 14.983 4.997 -8.749 241 1HB TRP 26 2HB TRP 26 14.156 5.705 -11.569 242 2HB TRP 26 1HB TRP 26 14.761 6.782 -10.309 243 HD1 TRP 26 HD TRP 26 17.226 5.019 -9.348 244 HE1 TRP 26 1HE TRP 26 19.297 4.812 -10.873 245 HE3 TRP 26 3HE TRP 26 15.139 6.262 -13.835 246 HZ2 TRP 26 2HZ TRP 26 19.975 5.132 -13.637 247 HZ3 TRP 26 3HZ TRP 26 16.515 6.306 -15.896 248 HH2 TRP 26 HH TRP 26 18.928 5.745 -15.803 249 H ALA 27 H ALA 27 12.774 2.924 -10.169 250 HA ALA 27 HA ALA 27 10.443 2.712 -9.983 251 1HB ALA 27 1HB ALA 27 11.179 3.037 -7.549 252 2HB ALA 27 2HB ALA 27 9.493 3.403 -7.914 253 3HB ALA 27 3HB ALA 27 10.660 4.712 -7.731 254 H GLU 28 H GLU 28 9.732 3.700 -11.872 255 HA GLU 28 HA GLU 28 9.707 6.516 -12.370 256 1HB GLU 28 2HB GLU 28 7.952 4.305 -13.495 257 2HB GLU 28 1HB GLU 28 8.031 5.946 -14.137 258 1HG GLU 28 2HG GLU 28 10.417 4.091 -13.882 259 2HG GLU 28 1HG GLU 28 9.514 4.358 -15.374 260 H LYS 29 H LYS 29 7.056 4.327 -11.327 261 HA LYS 29 HA LYS 29 5.973 6.240 -9.468 262 1HB LYS 29 2HB LYS 29 5.326 7.366 -11.601 263 2HB LYS 29 1HB LYS 29 4.446 5.914 -12.077 264 1HG LYS 29 2HG LYS 29 2.984 6.131 -10.107 265 2HG LYS 29 1HG LYS 29 3.876 7.562 -9.592 266 1HD LYS 29 2HD LYS 29 3.239 8.712 -11.696 267 2HD LYS 29 1HD LYS 29 2.323 7.288 -12.189 268 1HE LYS 29 2HE LYS 29 0.860 7.532 -10.217 269 2HE LYS 29 1HE LYS 29 1.791 8.936 -9.694 270 1HZ LYS 29 1HZ LYS 29 -0.364 9.266 -11.070 271 2HZ LYS 29 2HZ LYS 29 0.627 8.889 -12.398 272 3HZ LYS 29 3HZ LYS 29 0.996 10.220 -11.409 273 H LEU 30 H LEU 30 5.751 4.465 -8.077 274 HA LEU 30 HA LEU 30 4.195 2.128 -9.012 275 1HB LEU 30 2HB LEU 30 5.589 2.624 -6.362 276 2HB LEU 30 1HB LEU 30 4.804 1.119 -6.832 277 HG LEU 30 HG LEU 30 7.136 2.382 -8.307 278 1HD1 LEU 30 1HD1 LEU 30 8.510 0.668 -7.287 279 2HD1 LEU 30 2HD1 LEU 30 7.098 -0.081 -6.544 280 3HD1 LEU 30 3HD1 LEU 30 7.649 1.500 -5.990 281 1HD2 LEU 30 1HD2 LEU 30 5.501 -0.127 -8.661 282 2HD2 LEU 30 2HD2 LEU 30 7.179 -0.081 -9.200 283 3HD2 LEU 30 3HD2 LEU 30 6.002 1.042 -9.883 284 H ILE 31 H ILE 31 3.528 5.120 -7.745 285 HA ILE 31 HA ILE 31 1.601 4.570 -5.700 286 HB ILE 31 HB ILE 31 1.800 6.876 -7.662 287 1HG1 ILE 31 2HG1 ILE 31 2.485 6.762 -4.707 288 2HG1 ILE 31 1HG1 ILE 31 3.676 6.484 -5.976 289 1HG2 ILE 31 1HG2 ILE 31 -0.005 6.391 -5.285 290 2HG2 ILE 31 2HG2 ILE 31 -0.463 6.856 -6.924 291 3HG2 ILE 31 3HG2 ILE 31 0.352 8.014 -5.874 292 1HD1 ILE 31 1HD1 ILE 31 3.826 8.808 -5.350 293 2HD1 ILE 31 2HD1 ILE 31 2.080 9.012 -5.484 294 3HD1 ILE 31 3HD1 ILE 31 3.049 8.745 -6.932 295 H ALA 32 H ALA 32 1.281 4.919 -9.224 296 HA ALA 32 HA ALA 32 -1.455 4.855 -9.593 297 1HB ALA 32 1HB ALA 32 -1.048 3.665 -11.700 298 2HB ALA 32 2HB ALA 32 0.544 3.167 -11.129 299 3HB ALA 32 3HB ALA 32 0.211 4.871 -11.433 300 H GLU 33 H GLU 33 0.498 1.841 -9.518 301 HA GLU 33 HA GLU 33 -1.605 0.001 -9.367 302 1HB GLU 33 2HB GLU 33 1.115 -0.101 -8.019 303 2HB GLU 33 1HB GLU 33 0.024 -1.480 -8.142 304 1HG GLU 33 2HG GLU 33 0.098 -1.377 -10.582 305 2HG GLU 33 1HG GLU 33 1.096 0.076 -10.516 306 H ARG 34 H ARG 34 0.077 1.558 -6.626 307 HA ARG 34 HA ARG 34 -1.483 0.416 -4.552 308 1HB ARG 34 2HB ARG 34 0.569 1.651 -4.060 309 2HB ARG 34 1HB ARG 34 -0.138 3.131 -4.706 310 1HG ARG 34 2HG ARG 34 -0.256 3.130 -2.227 311 2HG ARG 34 1HG ARG 34 -1.879 3.080 -2.939 312 1HD ARG 34 2HD ARG 34 -2.246 0.895 -2.062 313 2HD ARG 34 1HD ARG 34 -0.611 0.415 -2.449 314 HE ARG 34 HE ARG 34 -0.502 2.251 -0.292 315 1HH1 ARG 34 1HH2 ARG 34 -2.051 -0.489 -1.220 316 2HH1 ARG 34 2HH2 ARG 34 -2.181 -1.342 0.274 317 1HH2 ARG 34 1HH1 ARG 34 -0.486 1.173 1.975 318 2HH2 ARG 34 2HH1 ARG 34 -1.240 -0.389 2.135 319 H ASN 35 H ASN 35 -1.967 3.451 -6.375 320 HA ASN 35 HA ASN 35 -4.390 4.172 -5.035 321 1HB ASN 35 2HB ASN 35 -3.163 5.774 -6.318 322 2HB ASN 35 1HB ASN 35 -3.407 4.840 -7.803 323 1HD2 ASN 35 1HD2 ASN 35 -4.470 7.600 -6.478 324 2HD2 ASN 35 2HD2 ASN 35 -6.112 7.548 -6.952 325 H SER 36 H SER 36 -3.793 2.300 -7.982 326 HA SER 36 HA SER 36 -6.360 1.931 -8.956 327 1HB SER 36 2HB SER 36 -4.263 -0.235 -8.613 328 2HB SER 36 1HB SER 36 -5.619 -0.285 -9.736 329 HG SER 36 HG SER 36 -3.353 0.575 -10.358 330 H LEU 37 H LEU 37 -5.069 -0.813 -7.138 331 HA LEU 37 HA LEU 37 -7.382 -1.988 -6.284 332 1HB LEU 37 2HB LEU 37 -4.874 -1.526 -4.642 333 2HB LEU 37 1HB LEU 37 -6.173 -2.595 -4.132 334 HG LEU 37 HG LEU 37 -4.499 -3.967 -5.162 335 1HD1 LEU 37 1HD1 LEU 37 -7.028 -4.127 -5.918 336 2HD1 LEU 37 2HD1 LEU 37 -5.794 -5.138 -6.670 337 3HD1 LEU 37 3HD1 LEU 37 -6.356 -3.678 -7.485 338 1HD2 LEU 37 1HD2 LEU 37 -4.645 -2.362 -7.706 339 2HD2 LEU 37 2HD2 LEU 37 -3.414 -3.518 -7.201 340 3HD2 LEU 37 3HD2 LEU 37 -3.506 -1.935 -6.427 341 H ALA 38 H ALA 38 -5.846 0.835 -4.751 342 HA ALA 38 HA ALA 38 -7.315 1.185 -2.454 343 1HB ALA 38 1HB ALA 38 -5.580 2.760 -3.708 344 2HB ALA 38 2HB ALA 38 -6.694 3.420 -2.508 345 3HB ALA 38 3HB ALA 38 -7.051 3.582 -4.228 346 H LYS 39 H LYS 39 -8.389 2.222 -5.693 347 HA LYS 39 HA LYS 39 -10.987 3.117 -4.834 348 1HB LYS 39 2HB LYS 39 -11.227 3.709 -7.018 349 2HB LYS 39 1HB LYS 39 -9.522 3.288 -7.152 350 1HG LYS 39 2HG LYS 39 -10.047 1.083 -7.965 351 2HG LYS 39 1HG LYS 39 -11.752 1.282 -7.567 352 1HD LYS 39 2HD LYS 39 -11.180 1.584 -10.028 353 2HD LYS 39 1HD LYS 39 -12.059 2.922 -9.292 354 1HE LYS 39 2HE LYS 39 -10.112 4.271 -9.147 355 2HE LYS 39 1HE LYS 39 -9.040 2.897 -9.410 356 1HZ LYS 39 1HZ LYS 39 -10.527 4.487 -11.334 357 2HZ LYS 39 2HZ LYS 39 -10.490 2.815 -11.635 358 3HZ LYS 39 3HZ LYS 39 -9.040 3.690 -11.503 359 H ASP 40 H ASP 40 -9.912 0.119 -6.457 360 HA ASP 40 HA ASP 40 -12.431 -1.163 -6.573 361 1HB ASP 40 2HB ASP 40 -9.630 -2.287 -6.313 362 2HB ASP 40 1HB ASP 40 -11.050 -3.305 -6.554 363 H VAL 41 H VAL 41 -9.964 -1.235 -4.002 364 HA VAL 41 HA VAL 41 -11.312 -3.020 -2.237 365 HB VAL 41 HB VAL 41 -9.450 -0.700 -1.653 366 1HG1 VAL 41 1HG1 VAL 41 -10.494 -1.059 0.412 367 2HG1 VAL 41 2HG1 VAL 41 -9.110 -2.150 0.497 368 3HG1 VAL 41 3HG1 VAL 41 -10.710 -2.784 0.112 369 1HG2 VAL 41 1HG2 VAL 41 -9.071 -3.677 -2.039 370 2HG2 VAL 41 2HG2 VAL 41 -7.856 -2.667 -1.256 371 3HG2 VAL 41 3HG2 VAL 41 -8.308 -2.363 -2.933 372 H ALA 42 H ALA 42 -11.461 0.530 -2.526 373 HA ALA 42 HA ALA 42 -13.129 1.187 -0.394 374 1HB ALA 42 1HB ALA 42 -13.386 3.177 -1.468 375 2HB ALA 42 2HB ALA 42 -13.927 2.419 -2.965 376 3HB ALA 42 3HB ALA 42 -12.204 2.517 -2.596 377 H GLU 43 H GLU 43 -14.137 -0.011 -3.607 378 HA GLU 43 HA GLU 43 -16.930 -0.062 -3.218 379 1HB GLU 43 2HB GLU 43 -14.992 -1.354 -4.976 380 2HB GLU 43 1HB GLU 43 -16.349 -2.419 -4.618 381 1HG GLU 43 2HG GLU 43 -16.735 0.454 -5.490 382 2HG GLU 43 1HG GLU 43 -16.633 -0.876 -6.643 383 H ILE 44 H ILE 44 -14.741 -2.883 -2.802 384 HA ILE 44 HA ILE 44 -16.503 -4.639 -1.544 385 HB ILE 44 HB ILE 44 -13.625 -4.245 -0.681 386 1HG1 ILE 44 2HG1 ILE 44 -13.620 -4.364 -3.103 387 2HG1 ILE 44 1HG1 ILE 44 -13.110 -5.932 -2.482 388 1HG2 ILE 44 1HG2 ILE 44 -15.573 -6.552 -0.611 389 2HG2 ILE 44 2HG2 ILE 44 -14.703 -5.816 0.735 390 3HG2 ILE 44 3HG2 ILE 44 -13.832 -6.785 -0.453 391 1HD1 ILE 44 1HD1 ILE 44 -15.621 -6.577 -2.669 392 2HD1 ILE 44 2HD1 ILE 44 -14.676 -6.490 -4.156 393 3HD1 ILE 44 3HD1 ILE 44 -15.750 -5.162 -3.712 394 H LYS 45 H LYS 45 -14.738 -1.915 -0.094 395 HA LYS 45 HA LYS 45 -15.338 -2.465 2.645 396 1HB LYS 45 2HB LYS 45 -14.932 0.186 1.220 397 2HB LYS 45 1HB LYS 45 -14.968 -0.005 2.971 398 1HG LYS 45 2HG LYS 45 -13.063 -1.655 1.319 399 2HG LYS 45 1HG LYS 45 -12.658 0.009 1.737 400 1HD LYS 45 2HD LYS 45 -13.241 -0.658 4.165 401 2HD LYS 45 1HD LYS 45 -13.131 -2.321 3.590 402 1HE LYS 45 2HE LYS 45 -10.969 -1.674 4.486 403 2HE LYS 45 1HE LYS 45 -10.827 -1.822 2.735 404 1HZ LYS 45 1HZ LYS 45 -10.014 0.306 4.119 405 2HZ LYS 45 2HZ LYS 45 -11.591 0.798 3.718 406 3HZ LYS 45 3HZ LYS 45 -10.493 0.373 2.493 407 H ASN 46 H ASN 46 -17.063 -0.548 0.189 408 HA ASN 46 HA ASN 46 -19.232 0.313 1.838 409 1HB ASN 46 2HB ASN 46 -18.759 1.260 -0.394 410 2HB ASN 46 1HB ASN 46 -19.185 -0.280 -1.138 411 1HD2 ASN 46 1HD2 ASN 46 -21.162 0.116 -2.159 412 2HD2 ASN 46 2HD2 ASN 46 -22.513 0.811 -1.400 413 H GLN 47 H GLN 47 -18.690 -2.638 -0.056 414 HA GLN 47 HA GLN 47 -21.353 -3.714 0.481 415 1HB GLN 47 2HB GLN 47 -20.767 -5.235 -1.091 416 2HB GLN 47 1HB GLN 47 -19.278 -4.318 -1.303 417 1HG GLN 47 2HG GLN 47 -18.249 -5.675 0.545 418 2HG GLN 47 1HG GLN 47 -19.706 -6.664 0.562 419 1HE2 GLN 47 1HE2 GLN 47 -17.345 -7.976 -0.047 420 2HE2 GLN 47 2HE2 GLN 47 -17.286 -8.361 -1.698 421 H LEU 48 H LEU 48 -18.463 -3.390 2.278 422 HA LEU 48 HA LEU 48 -19.038 -5.745 4.006 423 1HB LEU 48 2HB LEU 48 -16.780 -3.726 3.921 424 2HB LEU 48 1HB LEU 48 -16.970 -4.856 5.258 425 HG LEU 48 HG LEU 48 -16.829 -5.771 2.374 426 1HD1 LEU 48 1HD1 LEU 48 -14.740 -4.662 2.736 427 2HD1 LEU 48 2HD1 LEU 48 -14.426 -6.372 3.034 428 3HD1 LEU 48 3HD1 LEU 48 -14.631 -5.265 4.390 429 1HD2 LEU 48 1HD2 LEU 48 -15.945 -7.846 3.684 430 2HD2 LEU 48 2HD2 LEU 48 -17.678 -7.521 3.723 431 3HD2 LEU 48 3HD2 LEU 48 -16.665 -7.071 5.095 432 H GLY 49 H GLY 49 -19.955 -2.529 3.713 433 1HA GLY 49 2HA GLY 49 -21.091 -1.059 5.140 434 2HA GLY 49 1HA GLY 49 -21.510 -2.488 6.080 435 H ILE 50 H ILE 50 -18.463 -0.670 5.470 436 HA ILE 50 HA ILE 50 -18.278 -0.143 8.372 437 HB ILE 50 HB ILE 50 -15.767 -0.938 8.144 438 1HG1 ILE 50 2HG1 ILE 50 -15.612 -3.002 6.771 439 2HG1 ILE 50 1HG1 ILE 50 -17.224 -2.687 6.131 440 1HG2 ILE 50 1HG2 ILE 50 -16.444 -3.090 9.105 441 2HG2 ILE 50 2HG2 ILE 50 -18.078 -2.870 8.477 442 3HG2 ILE 50 3HG2 ILE 50 -17.463 -1.793 9.730 443 1HD1 ILE 50 1HD1 ILE 50 -15.154 -0.533 5.929 444 2HD1 ILE 50 2HD1 ILE 50 -16.508 -0.878 4.854 445 3HD1 ILE 50 3HD1 ILE 50 -15.065 -1.892 4.810 446 HA PRO 51 HA PRO 51 -16.464 3.687 7.248 447 1HB PRO 51 2HB PRO 51 -14.258 3.032 9.160 448 2HB PRO 51 1HB PRO 51 -15.284 4.478 9.077 449 1HG PRO 51 2HG PRO 51 -15.734 2.691 10.940 450 2HG PRO 51 1HG PRO 51 -17.096 3.397 10.052 451 1HD PRO 51 2HD PRO 51 -15.839 0.684 9.701 452 2HD PRO 51 1HD PRO 51 -17.558 1.135 9.692 453 H ILE 52 H ILE 52 -15.004 4.499 5.773 454 HA ILE 52 HA ILE 52 -13.370 2.707 4.234 455 HB ILE 52 HB ILE 52 -13.208 5.731 4.364 456 1HG1 ILE 52 2HG1 ILE 52 -14.908 4.024 2.521 457 2HG1 ILE 52 1HG1 ILE 52 -15.534 4.796 3.978 458 1HG2 ILE 52 1HG2 ILE 52 -12.559 5.336 1.914 459 2HG2 ILE 52 2HG2 ILE 52 -12.350 3.643 2.358 460 3HG2 ILE 52 3HG2 ILE 52 -11.360 4.885 3.125 461 1HD1 ILE 52 1HD1 ILE 52 -15.467 5.964 1.476 462 2HD1 ILE 52 2HD1 ILE 52 -14.018 6.619 2.238 463 3HD1 ILE 52 3HD1 ILE 52 -15.590 6.847 3.000 464 H ASN 53 H ASN 53 -12.606 5.157 6.695 465 HA ASN 53 HA ASN 53 -9.756 4.746 6.534 466 1HB ASN 53 2HB ASN 53 -11.078 6.710 7.578 467 2HB ASN 53 1HB ASN 53 -11.080 5.711 9.032 468 1HD2 ASN 53 1HD2 ASN 53 -8.593 4.511 8.996 469 2HD2 ASN 53 2HD2 ASN 53 -7.376 5.705 8.996 470 H ASP 54 H ASP 54 -8.468 3.337 7.655 471 HA ASP 54 HA ASP 54 -9.535 1.814 9.938 472 1HB ASP 54 2HB ASP 54 -8.498 0.304 7.534 473 2HB ASP 54 1HB ASP 54 -9.332 -0.344 8.948 474 HA PRO 55 HA PRO 55 -5.042 3.065 10.190 475 1HB PRO 55 2HB PRO 55 -5.160 3.125 12.967 476 2HB PRO 55 1HB PRO 55 -5.491 4.519 11.917 477 1HG PRO 55 2HG PRO 55 -7.413 2.587 13.141 478 2HG PRO 55 1HG PRO 55 -7.495 4.356 13.071 479 1HD PRO 55 2HD PRO 55 -8.961 2.952 11.374 480 2HD PRO 55 1HD PRO 55 -8.058 4.356 10.761 481 H GLU 56 H GLU 56 -6.554 1.009 12.699 482 HA GLU 56 HA GLU 56 -4.668 -0.690 13.527 483 1HB GLU 56 2HB GLU 56 -7.270 -1.640 12.271 484 2HB GLU 56 1HB GLU 56 -6.269 -2.599 13.358 485 1HG GLU 56 2HG GLU 56 -7.853 -1.700 14.830 486 2HG GLU 56 1HG GLU 56 -6.528 -0.547 14.974 487 H ARG 57 H ARG 57 -6.282 -1.358 10.411 488 HA ARG 57 HA ARG 57 -4.490 -3.308 9.451 489 1HB ARG 57 2HB ARG 57 -6.724 -1.932 8.469 490 2HB ARG 57 1HB ARG 57 -5.433 -1.497 7.347 491 1HG ARG 57 2HG ARG 57 -5.955 -4.364 8.193 492 2HG ARG 57 1HG ARG 57 -6.775 -3.646 6.810 493 1HD ARG 57 2HD ARG 57 -3.735 -3.629 7.011 494 2HD ARG 57 1HD ARG 57 -4.608 -4.972 6.292 495 HE ARG 57 HE ARG 57 -5.587 -2.694 4.990 496 1HH1 ARG 57 1HH2 ARG 57 -2.416 -3.646 5.810 497 2HH1 ARG 57 2HH2 ARG 57 -1.814 -3.531 4.173 498 1HH2 ARG 57 1HH1 ARG 57 -4.795 -2.237 2.907 499 2HH2 ARG 57 2HH1 ARG 57 -3.181 -2.732 2.511 500 H GLU 58 H GLU 58 -4.402 0.237 9.047 501 HA GLU 58 HA GLU 58 -2.001 0.342 7.489 502 1HB GLU 58 2HB GLU 58 -3.123 2.408 9.417 503 2HB GLU 58 1HB GLU 58 -1.947 2.721 8.142 504 1HG GLU 58 2HG GLU 58 -3.562 2.186 6.427 505 2HG GLU 58 1HG GLU 58 -4.720 1.609 7.627 506 H LYS 59 H LYS 59 -2.599 0.315 10.983 507 HA LYS 59 HA LYS 59 0.059 0.868 11.859 508 1HB LYS 59 2HB LYS 59 -2.368 -0.392 13.025 509 2HB LYS 59 1HB LYS 59 -0.841 -0.844 13.778 510 1HG LYS 59 2HG LYS 59 -1.751 1.114 14.917 511 2HG LYS 59 1HG LYS 59 -0.293 1.573 14.038 512 1HD LYS 59 2HD LYS 59 -1.712 2.373 12.151 513 2HD LYS 59 1HD LYS 59 -3.148 2.000 13.106 514 1HE LYS 59 2HE LYS 59 -2.306 3.553 14.885 515 2HE LYS 59 1HE LYS 59 -0.978 3.999 13.815 516 1HZ LYS 59 1HZ LYS 59 -3.787 4.717 13.682 517 2HZ LYS 59 2HZ LYS 59 -3.063 4.331 12.193 518 3HZ LYS 59 3HZ LYS 59 -2.420 5.573 13.157 519 H TYR 60 H TYR 60 -1.569 -2.209 11.092 520 HA TYR 60 HA TYR 60 0.527 -4.002 11.712 521 1HB TYR 60 2HB TYR 60 -1.674 -4.829 11.156 522 2HB TYR 60 1HB TYR 60 -1.609 -4.092 9.559 523 HD1 TYR 60 1HD TYR 60 -0.224 -6.786 11.700 524 HD2 TYR 60 2HD TYR 60 -0.458 -5.164 7.728 525 HE1 TYR 60 1HE TYR 60 0.832 -8.841 10.797 526 HE2 TYR 60 2HE TYR 60 0.591 -7.223 6.826 527 HH TYR 60 HH TYR 60 1.306 -9.281 7.294 528 H ILE 61 H ILE 61 -0.019 -2.040 8.808 529 HA ILE 61 HA ILE 61 2.017 -3.180 7.165 530 HB ILE 61 HB ILE 61 0.910 -0.363 7.306 531 1HG1 ILE 61 2HG1 ILE 61 -0.725 -2.098 6.667 532 2HG1 ILE 61 1HG1 ILE 61 -0.353 -1.054 5.298 533 1HG2 ILE 61 1HG2 ILE 61 2.796 -1.652 5.325 534 2HG2 ILE 61 2HG2 ILE 61 3.068 -0.193 6.277 535 3HG2 ILE 61 3HG2 ILE 61 1.885 -0.185 4.968 536 1HD1 ILE 61 1HD1 ILE 61 -0.114 -3.083 4.243 537 2HD1 ILE 61 2HD1 ILE 61 0.315 -3.922 5.735 538 3HD1 ILE 61 3HD1 ILE 61 1.520 -2.944 4.897 539 H TYR 62 H TYR 62 2.109 -0.509 9.524 540 HA TYR 62 HA TYR 62 4.769 0.359 9.131 541 1HB TYR 62 2HB TYR 62 3.279 0.138 11.768 542 2HB TYR 62 1HB TYR 62 4.675 1.164 11.455 543 HD1 TYR 62 1HD TYR 62 1.997 2.158 12.462 544 HD2 TYR 62 2HD TYR 62 3.549 1.714 8.480 545 HE1 TYR 62 1HE TYR 62 0.457 3.931 11.665 546 HE2 TYR 62 2HE TYR 62 2.010 3.493 7.685 547 HH TYR 62 HH TYR 62 0.574 5.653 9.543 548 H ASP 63 H ASP 63 3.538 -2.180 11.316 549 HA ASP 63 HA ASP 63 6.148 -2.989 12.251 550 1HB ASP 63 2HB ASP 63 3.881 -3.431 13.356 551 2HB ASP 63 1HB ASP 63 3.664 -4.722 12.176 552 H ARG 64 H ARG 64 4.062 -4.022 9.572 553 HA ARG 64 HA ARG 64 5.588 -6.387 8.880 554 1HB ARG 64 2HB ARG 64 3.224 -5.989 8.147 555 2HB ARG 64 1HB ARG 64 3.794 -4.679 7.121 556 1HG ARG 64 2HG ARG 64 5.155 -7.317 6.788 557 2HG ARG 64 1HG ARG 64 3.501 -7.207 6.196 558 1HD ARG 64 2HD ARG 64 5.142 -4.910 5.440 559 2HD ARG 64 1HD ARG 64 5.764 -6.422 4.824 560 HE ARG 64 HE ARG 64 3.551 -5.004 3.689 561 1HH1 ARG 64 1HH2 ARG 64 4.620 -7.987 4.961 562 2HH1 ARG 64 2HH2 ARG 64 3.716 -8.986 3.877 563 1HH2 ARG 64 1HH1 ARG 64 2.220 -6.332 2.225 564 2HH2 ARG 64 2HH1 ARG 64 2.432 -8.057 2.263 565 H ILE 65 H ILE 65 5.564 -3.039 7.633 566 HA ILE 65 HA ILE 65 7.531 -3.409 5.603 567 HB ILE 65 HB ILE 65 6.840 -0.967 7.260 568 1HG1 ILE 65 2HG1 ILE 65 4.989 -1.767 5.860 569 2HG1 ILE 65 1HG1 ILE 65 5.641 -0.271 5.197 570 1HG2 ILE 65 1HG2 ILE 65 7.941 0.222 5.249 571 2HG2 ILE 65 2HG2 ILE 65 8.699 -1.335 4.914 572 3HG2 ILE 65 3HG2 ILE 65 9.004 -0.518 6.445 573 1HD1 ILE 65 1HD1 ILE 65 5.531 -1.549 3.268 574 2HD1 ILE 65 2HD1 ILE 65 5.829 -3.058 4.130 575 3HD1 ILE 65 3HD1 ILE 65 7.163 -1.952 3.806 576 H ARG 66 H ARG 66 7.864 -2.491 9.045 577 HA ARG 66 HA ARG 66 10.652 -2.015 9.097 578 1HB ARG 66 2HB ARG 66 8.816 -3.205 11.203 579 2HB ARG 66 1HB ARG 66 10.517 -2.863 11.511 580 1HG ARG 66 2HG ARG 66 10.179 -0.486 10.989 581 2HG ARG 66 1HG ARG 66 8.496 -0.787 10.567 582 1HD ARG 66 2HD ARG 66 8.060 -1.491 12.880 583 2HD ARG 66 1HD ARG 66 9.719 -1.259 13.318 584 HE ARG 66 HE ARG 66 8.628 1.231 12.313 585 1HH1 ARG 66 1HH2 ARG 66 8.845 -0.893 14.968 586 2HH1 ARG 66 2HH2 ARG 66 7.723 -0.003 15.992 587 1HH2 ARG 66 1HH1 ARG 66 7.408 2.634 13.717 588 2HH2 ARG 66 2HH1 ARG 66 6.902 2.025 15.257 589 H LYS 67 H LYS 67 8.871 -5.083 9.232 590 HA LYS 67 HA LYS 67 11.102 -6.773 9.811 591 1HB LYS 67 2HB LYS 67 8.722 -7.497 9.942 592 2HB LYS 67 1HB LYS 67 8.621 -7.430 8.183 593 1HG LYS 67 2HG LYS 67 10.384 -9.151 8.008 594 2HG LYS 67 1HG LYS 67 10.516 -9.202 9.766 595 1HD LYS 67 2HD LYS 67 8.140 -9.914 9.915 596 2HD LYS 67 1HD LYS 67 8.035 -9.898 8.156 597 1HE LYS 67 2HE LYS 67 10.033 -11.588 9.686 598 2HE LYS 67 1HE LYS 67 8.459 -12.186 9.166 599 1HZ LYS 67 1HZ LYS 67 9.711 -10.921 6.995 600 2HZ LYS 67 2HZ LYS 67 9.288 -12.558 7.159 601 3HZ LYS 67 3HZ LYS 67 10.814 -12.016 7.674 602 H LEU 68 H LEU 68 9.623 -5.925 6.659 603 HA LEU 68 HA LEU 68 11.683 -7.233 5.107 604 1HB LEU 68 2HB LEU 68 9.726 -5.031 4.377 605 2HB LEU 68 1HB LEU 68 10.752 -5.867 3.218 606 HG LEU 68 HG LEU 68 8.696 -7.229 4.991 607 1HD1 LEU 68 1HD1 LEU 68 7.793 -5.658 3.213 608 2HD1 LEU 68 2HD1 LEU 68 7.296 -7.340 3.026 609 3HD1 LEU 68 3HD1 LEU 68 8.580 -6.681 2.012 610 1HD2 LEU 68 1HD2 LEU 68 9.106 -9.018 3.112 611 2HD2 LEU 68 2HD2 LEU 68 10.265 -8.886 4.434 612 3HD2 LEU 68 3HD2 LEU 68 10.627 -8.158 2.869 613 H CYS 69 H CYS 69 11.209 -3.961 6.366 614 HA CYS 69 HA CYS 69 13.277 -2.630 4.925 615 1HB CYS 69 2HB CYS 69 11.456 -1.653 6.503 616 2HB CYS 69 1HB CYS 69 12.608 -1.985 7.797 617 HG CYS 69 HG CYS 69 12.790 0.346 5.930 618 H LYS 70 H LYS 70 13.361 -4.203 8.142 619 HA LYS 70 HA LYS 70 16.175 -3.798 8.571 620 1HB LYS 70 2HB LYS 70 14.032 -5.494 9.757 621 2HB LYS 70 1HB LYS 70 15.689 -6.038 10.016 622 1HG LYS 70 2HG LYS 70 15.013 -4.576 11.854 623 2HG LYS 70 1HG LYS 70 16.259 -3.780 10.892 624 1HD LYS 70 2HD LYS 70 14.460 -2.558 9.651 625 2HD LYS 70 1HD LYS 70 13.272 -3.285 10.730 626 1HE LYS 70 2HE LYS 70 15.587 -1.545 11.633 627 2HE LYS 70 1HE LYS 70 13.921 -0.996 11.462 628 1HZ LYS 70 1HZ LYS 70 13.556 -1.724 13.510 629 2HZ LYS 70 2HZ LYS 70 15.118 -2.388 13.610 630 3HZ LYS 70 3HZ LYS 70 13.837 -3.311 12.982 631 H GLU 71 H GLU 71 14.316 -6.257 6.855 632 HA GLU 71 HA GLU 71 16.243 -8.317 6.677 633 1HB GLU 71 2HB GLU 71 13.985 -7.427 4.901 634 2HB GLU 71 1HB GLU 71 15.077 -8.693 4.342 635 1HG GLU 71 2HG GLU 71 13.671 -8.792 7.026 636 2HG GLU 71 1HG GLU 71 13.017 -9.534 5.567 637 H HIS 72 H HIS 72 15.549 -5.996 4.044 638 HA HIS 72 HA HIS 72 18.195 -6.520 2.896 639 1HB HIS 72 2HB HIS 72 17.403 -4.780 1.180 640 2HB HIS 72 1HB HIS 72 16.456 -6.265 1.285 641 HD1 HIS 72 1HD HIS 72 16.356 -2.634 2.362 642 HD2 HIS 72 2HD HIS 72 13.802 -5.923 2.108 643 HE1 HIS 72 1HE HIS 72 14.027 -1.779 2.882 644 HE2 HIS 72 2HE HIS 72 12.466 -3.771 2.730 645 H ASN 73 H ASN 73 17.441 -4.847 5.472 646 HA ASN 73 HA ASN 73 18.153 -2.767 6.391 647 1HB ASN 73 2HB ASN 73 20.641 -2.702 6.373 648 2HB ASN 73 1HB ASN 73 19.992 -4.262 6.907 649 1HD2 ASN 73 1HD2 ASN 73 22.134 -2.722 4.787 650 2HD2 ASN 73 2HD2 ASN 73 22.404 -4.033 3.722 651 H VAL 74 H VAL 74 17.091 -2.157 3.869 652 HA VAL 74 HA VAL 74 19.040 -0.609 2.329 653 HB VAL 74 HB VAL 74 16.035 -0.919 2.235 654 1HG1 VAL 74 1HG1 VAL 74 16.306 1.343 1.569 655 2HG1 VAL 74 2HG1 VAL 74 16.294 0.437 0.055 656 3HG1 VAL 74 3HG1 VAL 74 17.821 0.999 0.734 657 1HG2 VAL 74 1HG2 VAL 74 17.846 -2.608 1.318 658 2HG2 VAL 74 2HG2 VAL 74 17.975 -1.438 0.003 659 3HG2 VAL 74 3HG2 VAL 74 16.430 -2.220 0.341 660 H ASP 75 H ASP 75 16.387 0.113 4.612 661 HA ASP 75 HA ASP 75 17.761 2.547 5.449 662 1HB ASP 75 2HB ASP 75 15.175 2.724 3.891 663 2HB ASP 75 1HB ASP 75 15.780 4.032 4.906 664 H GLU 76 H GLU 76 15.569 3.834 6.653 665 HA GLU 76 HA GLU 76 14.277 1.751 8.348 666 1HB GLU 76 2HB GLU 76 16.023 4.028 9.309 667 2HB GLU 76 1HB GLU 76 14.832 3.257 10.356 668 1HG GLU 76 2HG GLU 76 15.909 1.079 10.030 669 2HG GLU 76 1HG GLU 76 17.076 1.798 8.921 670 H ASN 77 H ASN 77 14.358 5.081 9.323 671 HA ASN 77 HA ASN 77 11.515 5.313 9.306 672 1HB ASN 77 2HB ASN 77 11.854 7.636 9.901 673 2HB ASN 77 1HB ASN 77 13.068 6.670 10.736 674 1HD2 ASN 77 1HD2 ASN 77 14.956 6.259 8.681 675 2HD2 ASN 77 2HD2 ASN 77 15.598 7.757 8.201 676 H ILE 78 H ILE 78 13.947 6.463 6.971 677 HA ILE 78 HA ILE 78 12.340 8.074 5.345 678 HB ILE 78 HB ILE 78 14.363 6.083 4.281 679 1HG1 ILE 78 2HG1 ILE 78 15.533 8.637 4.676 680 2HG1 ILE 78 1HG1 ILE 78 14.710 8.231 6.182 681 1HG2 ILE 78 1HG2 ILE 78 14.708 7.811 2.568 682 2HG2 ILE 78 2HG2 ILE 78 13.511 8.844 3.350 683 3HG2 ILE 78 3HG2 ILE 78 13.014 7.322 2.608 684 1HD1 ILE 78 1HD1 ILE 78 17.047 7.388 6.154 685 2HD1 ILE 78 2HD1 ILE 78 16.667 6.429 4.724 686 3HD1 ILE 78 3HD1 ILE 78 15.879 6.070 6.260 687 H GLY 79 H GLY 79 12.644 4.533 5.281 688 1HA GLY 79 2HA GLY 79 10.893 4.158 3.031 689 2HA GLY 79 1HA GLY 79 11.351 2.910 4.189 690 H ILE 80 H ILE 80 10.340 3.833 6.555 691 HA ILE 80 HA ILE 80 7.569 3.163 6.335 692 HB ILE 80 HB ILE 80 9.118 4.481 8.588 693 1HG1 ILE 80 2HG1 ILE 80 8.108 1.635 8.292 694 2HG1 ILE 80 1HG1 ILE 80 9.748 2.131 7.876 695 1HG2 ILE 80 1HG2 ILE 80 6.819 5.035 8.946 696 2HG2 ILE 80 2HG2 ILE 80 7.142 3.632 9.966 697 3HG2 ILE 80 3HG2 ILE 80 6.287 3.433 8.437 698 1HD1 ILE 80 1HD1 ILE 80 10.315 1.826 10.034 699 2HD1 ILE 80 2HD1 ILE 80 8.634 1.541 10.484 700 3HD1 ILE 80 3HD1 ILE 80 9.271 3.185 10.449 701 H LYS 81 H LYS 81 9.210 6.300 6.744 702 HA LYS 81 HA LYS 81 6.927 7.941 7.044 703 1HB LYS 81 2HB LYS 81 9.288 8.731 7.278 704 2HB LYS 81 1HB LYS 81 9.476 8.612 5.531 705 1HG LYS 81 2HG LYS 81 7.664 10.268 5.220 706 2HG LYS 81 1HG LYS 81 7.475 10.390 6.969 707 1HD LYS 81 2HD LYS 81 9.827 11.171 7.157 708 2HD LYS 81 1HD LYS 81 9.986 11.076 5.405 709 1HE LYS 81 2HE LYS 81 8.213 12.757 5.130 710 2HE LYS 81 1HE LYS 81 8.001 12.840 6.879 711 1HZ LYS 81 1HZ LYS 81 9.428 14.566 6.555 712 2HZ LYS 81 2HZ LYS 81 10.185 13.854 5.211 713 3HZ LYS 81 3HZ LYS 81 10.563 13.326 6.781 714 H ILE 82 H ILE 82 8.498 6.743 4.089 715 HA ILE 82 HA ILE 82 6.849 8.185 2.246 716 HB ILE 82 HB ILE 82 8.382 5.584 1.967 717 1HG1 ILE 82 2HG1 ILE 82 8.982 8.324 0.813 718 2HG1 ILE 82 1HG1 ILE 82 9.591 7.803 2.383 719 1HG2 ILE 82 1HG2 ILE 82 6.813 7.206 -0.042 720 2HG2 ILE 82 2HG2 ILE 82 6.724 5.472 0.272 721 3HG2 ILE 82 3HG2 ILE 82 8.137 6.151 -0.535 722 1HD1 ILE 82 1HD1 ILE 82 11.284 7.356 0.691 723 2HD1 ILE 82 2HD1 ILE 82 10.118 6.464 -0.285 724 3HD1 ILE 82 3HD1 ILE 82 10.638 5.821 1.273 725 H PHE 83 H PHE 83 6.555 4.914 3.615 726 HA PHE 83 HA PHE 83 4.296 4.057 2.137 727 1HB PHE 83 2HB PHE 83 5.450 3.364 4.820 728 2HB PHE 83 1HB PHE 83 3.861 2.728 4.391 729 HD1 PHE 83 1HD PHE 83 3.691 1.647 1.973 730 HD2 PHE 83 2HD PHE 83 7.354 2.184 4.154 731 HE1 PHE 83 1HE PHE 83 4.770 -0.115 0.601 732 HE2 PHE 83 2HE PHE 83 8.431 0.423 2.779 733 HZ PHE 83 HZ PHE 83 7.140 -0.725 1.000 734 H GLN 84 H GLN 84 4.402 5.622 5.351 735 HA GLN 84 HA GLN 84 1.643 5.839 5.840 736 1HB GLN 84 2HB GLN 84 3.438 6.476 7.450 737 2HB GLN 84 1HB GLN 84 3.779 7.901 6.472 738 1HG GLN 84 2HG GLN 84 1.572 8.797 6.898 739 2HG GLN 84 1HG GLN 84 1.079 7.306 7.702 740 1HE2 GLN 84 1HE2 GLN 84 0.967 9.822 9.066 741 2HE2 GLN 84 2HE2 GLN 84 2.157 9.836 10.285 742 H ARG 85 H ARG 85 3.755 7.948 3.910 743 HA ARG 85 HA ARG 85 1.857 9.987 3.302 744 1HB ARG 85 2HB ARG 85 4.300 10.152 2.813 745 2HB ARG 85 1HB ARG 85 4.111 8.944 1.542 746 1HG ARG 85 2HG ARG 85 2.478 10.475 0.382 747 2HG ARG 85 1HG ARG 85 2.775 11.686 1.634 748 1HD ARG 85 2HD ARG 85 4.977 10.535 -0.089 749 2HD ARG 85 1HD ARG 85 4.144 12.016 -0.484 750 HE ARG 85 HE ARG 85 6.352 11.676 1.445 751 1HH1 ARG 85 1HH2 ARG 85 3.306 13.215 1.044 752 2HH1 ARG 85 2HH2 ARG 85 3.710 14.595 2.015 753 1HH2 ARG 85 1HH1 ARG 85 6.918 13.484 2.720 754 2HH2 ARG 85 2HH1 ARG 85 5.780 14.775 2.905 755 H LEU 86 H LEU 86 2.582 6.897 1.684 756 HA LEU 86 HA LEU 86 0.714 7.245 -0.490 757 1HB LEU 86 2HB LEU 86 1.792 4.683 0.741 758 2HB LEU 86 1HB LEU 86 0.994 4.823 -0.823 759 HG LEU 86 HG LEU 86 3.562 6.251 -0.077 760 1HD1 LEU 86 1HD1 LEU 86 4.709 4.652 -1.459 761 2HD1 LEU 86 2HD1 LEU 86 3.187 3.931 -1.986 762 3HD1 LEU 86 3HD1 LEU 86 3.728 3.731 -0.319 763 1HD2 LEU 86 1HD2 LEU 86 3.545 6.443 -2.693 764 2HD2 LEU 86 2HD2 LEU 86 2.545 7.549 -1.753 765 3HD2 LEU 86 3HD2 LEU 86 1.814 6.145 -2.530 766 H ILE 87 H ILE 87 0.431 5.959 2.786 767 HA ILE 87 HA ILE 87 -2.114 4.679 2.473 768 HB ILE 87 HB ILE 87 -0.808 5.931 4.907 769 1HG1 ILE 87 2HG1 ILE 87 0.445 4.054 3.920 770 2HG1 ILE 87 1HG1 ILE 87 -0.263 3.578 5.463 771 1HG2 ILE 87 1HG2 ILE 87 -3.310 4.266 4.588 772 2HG2 ILE 87 2HG2 ILE 87 -3.126 5.809 5.421 773 3HG2 ILE 87 3HG2 ILE 87 -2.432 4.344 6.115 774 1HD1 ILE 87 1HD1 ILE 87 -0.981 2.710 2.695 775 2HD1 ILE 87 2HD1 ILE 87 -2.280 2.826 3.883 776 3HD1 ILE 87 3HD1 ILE 87 -0.901 1.769 4.183 777 H GLU 88 H GLU 88 -1.225 7.994 3.440 778 HA GLU 88 HA GLU 88 -3.853 8.950 3.987 779 1HB GLU 88 2HB GLU 88 -1.434 10.417 2.870 780 2HB GLU 88 1HB GLU 88 -2.873 11.197 3.525 781 1HG GLU 88 2HG GLU 88 -1.100 9.293 5.080 782 2HG GLU 88 1HG GLU 88 -1.018 11.052 5.192 783 H HIS 89 H HIS 89 -1.928 9.078 0.976 784 HA HIS 89 HA HIS 89 -4.022 10.227 -0.624 785 1HB HIS 89 2HB HIS 89 -2.391 10.283 -2.186 786 2HB HIS 89 1HB HIS 89 -1.328 9.580 -0.972 787 HD1 HIS 89 1HD HIS 89 -0.906 6.992 -1.099 788 HD2 HIS 89 2HD HIS 89 -3.209 8.510 -4.229 789 HE1 HIS 89 1HE HIS 89 -0.933 5.211 -2.904 790 HE2 HIS 89 2HE HIS 89 -2.332 6.125 -4.813 791 H ASN 90 H ASN 90 -3.297 6.976 0.399 792 HA ASN 90 HA ASN 90 -4.867 5.552 -1.542 793 1HB ASN 90 2HB ASN 90 -3.175 4.606 0.143 794 2HB ASN 90 1HB ASN 90 -4.458 4.753 1.342 795 1HD2 ASN 90 1HD2 ASN 90 -3.306 2.842 -1.344 796 2HD2 ASN 90 2HD2 ASN 90 -4.552 1.689 -1.311 797 H LYS 91 H LYS 91 -5.620 6.917 1.657 798 HA LYS 91 HA LYS 91 -8.370 6.044 1.687 799 1HB LYS 91 2HB LYS 91 -7.163 6.722 3.754 800 2HB LYS 91 1HB LYS 91 -7.065 8.372 3.145 801 1HG LYS 91 2HG LYS 91 -9.536 8.509 3.120 802 2HG LYS 91 1HG LYS 91 -9.631 6.861 3.739 803 1HD LYS 91 2HD LYS 91 -8.446 7.528 5.782 804 2HD LYS 91 1HD LYS 91 -8.263 9.169 5.163 805 1HE LYS 91 2HE LYS 91 -10.203 8.740 6.810 806 2HE LYS 91 1HE LYS 91 -10.590 9.606 5.323 807 1HZ LYS 91 1HZ LYS 91 -11.593 7.751 4.405 808 2HZ LYS 91 2HZ LYS 91 -12.072 7.651 6.032 809 3HZ LYS 91 3HZ LYS 91 -10.814 6.666 5.450 810 H ALA 92 H ALA 92 -6.799 9.137 0.868 811 HA ALA 92 HA ALA 92 -8.956 10.764 0.339 812 1HB ALA 92 1HB ALA 92 -6.707 11.577 0.021 813 2HB ALA 92 2HB ALA 92 -7.572 11.781 -1.503 814 3HB ALA 92 3HB ALA 92 -6.438 10.445 -1.304 815 H LEU 93 H LEU 93 -7.433 8.961 -2.355 816 HA LEU 93 HA LEU 93 -9.662 9.373 -4.075 817 1HB LEU 93 2HB LEU 93 -8.409 8.345 -5.677 818 2HB LEU 93 1HB LEU 93 -7.132 8.597 -4.497 819 HG LEU 93 HG LEU 93 -6.963 6.336 -5.266 820 1HD1 LEU 93 1HD1 LEU 93 -6.526 5.663 -3.176 821 2HD1 LEU 93 2HD1 LEU 93 -8.247 5.403 -2.883 822 3HD1 LEU 93 3HD1 LEU 93 -7.522 6.976 -2.555 823 1HD2 LEU 93 1HD2 LEU 93 -8.720 5.078 -5.886 824 2HD2 LEU 93 2HD2 LEU 93 -9.719 6.510 -5.629 825 3HD2 LEU 93 3HD2 LEU 93 -9.531 5.321 -4.341 826 H GLN 94 H GLN 94 -9.077 6.975 -1.670 827 HA GLN 94 HA GLN 94 -10.938 4.974 -2.521 828 1HB GLN 94 2HB GLN 94 -9.449 5.655 -0.100 829 2HB GLN 94 1HB GLN 94 -11.058 5.020 0.253 830 1HG GLN 94 2HG GLN 94 -10.629 3.031 -1.062 831 2HG GLN 94 1HG GLN 94 -9.113 3.714 -1.646 832 1HE2 GLN 94 1HE2 GLN 94 -9.655 4.473 1.678 833 2HE2 GLN 94 2HE2 GLN 94 -8.580 3.296 2.310 834 H LYS 95 H LYS 95 -11.316 7.644 -0.178 835 HA LYS 95 HA LYS 95 -14.158 7.299 0.122 836 1HB LYS 95 2HB LYS 95 -12.603 8.520 1.733 837 2HB LYS 95 1HB LYS 95 -12.604 9.859 0.588 838 1HG LYS 95 2HG LYS 95 -14.949 10.232 0.875 839 2HG LYS 95 1HG LYS 95 -15.163 8.695 1.713 840 1HD LYS 95 2HD LYS 95 -13.242 10.679 2.870 841 2HD LYS 95 1HD LYS 95 -14.967 10.975 3.076 842 1HE LYS 95 2HE LYS 95 -15.272 8.859 4.190 843 2HE LYS 95 1HE LYS 95 -13.638 8.342 3.776 844 1HZ LYS 95 1HZ LYS 95 -13.257 10.698 5.069 845 2HZ LYS 95 2HZ LYS 95 -13.072 9.153 5.752 846 3HZ LYS 95 3HZ LYS 95 -14.534 9.997 5.936 847 H GLN 96 H GLN 96 -12.239 9.688 -1.724 848 HA GLN 96 HA GLN 96 -14.410 11.096 -2.872 849 1HB GLN 96 2HB GLN 96 -11.662 10.511 -4.024 850 2HB GLN 96 1HB GLN 96 -12.778 11.711 -4.674 851 1HG GLN 96 2HG GLN 96 -11.713 11.712 -1.831 852 2HG GLN 96 1HG GLN 96 -11.074 12.708 -3.138 853 1HE2 GLN 96 1HE2 GLN 96 -13.124 13.865 -4.378 854 2HE2 GLN 96 2HE2 GLN 96 -14.174 14.669 -3.315 855 H TYR 97 H TYR 97 -12.769 8.142 -3.968 856 HA TYR 97 HA TYR 97 -14.138 7.854 -6.460 857 1HB TYR 97 2HB TYR 97 -12.181 6.524 -6.015 858 2HB TYR 97 1HB TYR 97 -12.915 5.833 -4.569 859 HD1 TYR 97 1HD TYR 97 -14.150 3.830 -4.699 860 HD2 TYR 97 2HD TYR 97 -13.366 6.083 -8.273 861 HE1 TYR 97 1HE TYR 97 -15.127 2.006 -6.068 862 HE2 TYR 97 2HE TYR 97 -14.339 4.257 -9.639 863 HH TYR 97 HH TYR 97 -16.230 2.253 -8.946 864 H LEU 98 H LEU 98 -14.857 6.462 -3.242 865 HA LEU 98 HA LEU 98 -17.216 5.057 -4.006 866 1HB LEU 98 2HB LEU 98 -16.275 6.209 -1.377 867 2HB LEU 98 1HB LEU 98 -17.828 5.391 -1.512 868 HG LEU 98 HG LEU 98 -15.254 4.090 -2.431 869 1HD1 LEU 98 1HD1 LEU 98 -14.810 4.496 -0.145 870 2HD1 LEU 98 2HD1 LEU 98 -15.499 2.872 -0.154 871 3HD1 LEU 98 3HD1 LEU 98 -16.494 4.249 0.319 872 1HD2 LEU 98 1HD2 LEU 98 -18.065 3.171 -1.793 873 2HD2 LEU 98 2HD2 LEU 98 -16.713 2.038 -1.789 874 3HD2 LEU 98 3HD2 LEU 98 -17.132 2.906 -3.266 875 H GLU 99 H GLU 99 -16.750 8.401 -2.885 876 HA GLU 99 HA GLU 99 -19.544 9.080 -2.742 877 1HB GLU 99 2HB GLU 99 -17.081 10.809 -3.172 878 2HB GLU 99 1HB GLU 99 -18.700 11.442 -2.881 879 1HG GLU 99 2HG GLU 99 -17.229 9.578 -0.999 880 2HG GLU 99 1HG GLU 99 -17.331 11.326 -0.795 881 H GLU 100 H GLU 100 -17.134 9.215 -5.335 882 HA GLU 100 HA GLU 100 -18.783 10.682 -7.181 883 1HB GLU 100 2HB GLU 100 -16.981 10.572 -8.563 884 2HB GLU 100 1HB GLU 100 -16.154 9.960 -7.136 885 1HG GLU 100 2HG GLU 100 -15.629 8.371 -8.786 886 2HG GLU 100 1HG GLU 100 -16.976 7.625 -7.927 887 H THR 101 H THR 101 -18.615 7.315 -6.297 888 HA THR 101 HA THR 101 -20.092 6.401 -8.657 889 HB THR 101 HB THR 101 -20.314 4.279 -7.221 890 HG1 THR 101 1HG THR 101 -18.299 5.449 -5.668 891 1HG2 THR 101 1HG2 THR 101 -17.521 5.342 -7.729 892 2HG2 THR 101 2HG2 THR 101 -18.566 4.638 -8.964 893 3HG2 THR 101 3HG2 THR 101 -17.994 3.647 -7.623 894 H LEU 102 H LEU 102 -20.808 7.454 -5.377 895 HA LEU 102 HA LEU 102 -23.551 6.511 -5.333 896 1HB LEU 102 2HB LEU 102 -22.148 8.706 -3.769 897 2HB LEU 102 1HB LEU 102 -23.795 8.173 -3.450 898 HG LEU 102 HG LEU 102 -21.367 6.353 -3.357 899 1HD1 LEU 102 1HD1 LEU 102 -21.551 6.517 -0.926 900 2HD1 LEU 102 2HD1 LEU 102 -22.943 7.589 -1.077 901 3HD1 LEU 102 3HD1 LEU 102 -21.350 8.135 -1.598 902 1HD2 LEU 102 1HD2 LEU 102 -23.139 5.032 -1.941 903 2HD2 LEU 102 2HD2 LEU 102 -23.237 4.967 -3.700 904 3HD2 LEU 102 3HD2 LEU 102 -24.311 6.035 -2.797 905 H GLU 103 H GLU 103 -21.895 9.333 -6.559 906 HA GLU 103 HA GLU 103 -24.502 10.598 -7.301 907 1HB GLU 103 2HB GLU 103 -21.734 11.803 -7.006 908 2HB GLU 103 1HB GLU 103 -23.136 12.675 -7.620 909 1HG GLU 103 2HG GLU 103 -24.313 12.342 -5.509 910 2HG GLU 103 1HG GLU 103 -22.969 11.380 -4.889 911 H HIS 104 H HIS 104 -24.885 11.198 -9.370 912 HA HIS 104 HA HIS 104 -23.453 9.821 -11.506 913 1HB HIS 104 2HB HIS 104 -25.815 10.328 -11.728 914 2HB HIS 104 1HB HIS 104 -25.490 12.053 -11.604 915 HD1 HIS 104 1HD HIS 104 -24.745 9.094 -13.852 916 HD2 HIS 104 2HD HIS 104 -24.845 13.259 -14.020 917 HE1 HIS 104 1HE HIS 104 -24.262 9.728 -16.256 918 HE2 HIS 104 2HE HIS 104 -24.317 12.261 -16.372 919 H2 TSA 501 1H2 TSA 501 -4.383 -0.528 4.810 920 H3 TSA 501 1H3 TSA 501 -6.476 -0.463 6.143 921 H4 TSA 501 4H TSA 501 -8.438 0.788 5.277 922 HO5 TSA 501 HO5 TSA 501 -7.054 1.839 6.821 923 H5 TSA 501 5H TSA 501 -7.920 2.793 3.668 924 1H6 TSA 501 1H6 TSA 501 -5.875 2.543 2.247 925 2H6 TSA 501 2H6 TSA 501 -5.374 2.642 3.875 926 H8 TSA 501 8H TSA 501 -7.983 -0.304 1.118 927 1H9 TSA 501 1H9 TSA 501 -5.639 -1.136 1.910 928 2H9 TSA 501 2H9 TSA 501 -5.736 0.233 0.968 Start of MODEL 8 1 1H MET 1 1HT MET 1 -18.783 -10.716 -0.786 2 2H MET 1 2HT MET 1 -18.256 -10.815 0.826 3 3H MET 1 3HT MET 1 -19.856 -10.359 0.478 4 HA MET 1 HA MET 1 -19.863 -12.622 1.219 5 1HB MET 1 2HB MET 1 -20.203 -12.349 -1.788 6 2HB MET 1 1HB MET 1 -20.821 -13.692 -0.828 7 1HG MET 1 2HG MET 1 -22.679 -12.250 -0.976 8 2HG MET 1 1HG MET 1 -21.987 -11.841 0.594 9 1HE MET 1 1HE MET 1 -23.619 -9.666 0.188 10 2HE MET 1 2HE MET 1 -23.954 -10.194 -1.460 11 3HE MET 1 3HE MET 1 -23.408 -8.545 -1.165 12 H ILE 2 H ILE 2 -17.187 -11.719 -0.652 13 HA ILE 2 HA ILE 2 -16.009 -14.426 -0.283 14 HB ILE 2 HB ILE 2 -16.702 -14.449 -2.598 15 1HG1 ILE 2 2HG1 ILE 2 -14.523 -14.618 -3.732 16 2HG1 ILE 2 1HG1 ILE 2 -13.767 -13.690 -2.438 17 1HG2 ILE 2 1HG2 ILE 2 -17.078 -12.067 -2.925 18 2HG2 ILE 2 2HG2 ILE 2 -15.949 -12.639 -4.154 19 3HG2 ILE 2 3HG2 ILE 2 -15.353 -11.737 -2.760 20 1HD1 ILE 2 1HD1 ILE 2 -13.997 -15.425 -0.880 21 2HD1 ILE 2 2HD1 ILE 2 -13.626 -16.300 -2.364 22 3HD1 ILE 2 3HD1 ILE 2 -15.291 -16.201 -1.792 23 H GLU 3 H GLU 3 -13.930 -14.295 0.487 24 HA GLU 3 HA GLU 3 -12.818 -11.872 1.433 25 1HB GLU 3 2HB GLU 3 -11.430 -14.465 0.684 26 2HB GLU 3 1HB GLU 3 -10.682 -13.163 1.609 27 1HG GLU 3 2HG GLU 3 -13.222 -14.595 2.437 28 2HG GLU 3 1HG GLU 3 -11.617 -14.983 3.057 29 H LYS 4 H LYS 4 -13.601 -11.355 -1.219 30 HA LYS 4 HA LYS 4 -11.475 -11.420 -3.123 31 1HB LYS 4 2HB LYS 4 -14.009 -9.891 -2.771 32 2HB LYS 4 1HB LYS 4 -12.804 -9.176 -3.843 33 1HG LYS 4 2HG LYS 4 -13.488 -12.092 -4.117 34 2HG LYS 4 1HG LYS 4 -14.550 -10.876 -4.828 35 1HD LYS 4 2HD LYS 4 -11.605 -10.649 -5.327 36 2HD LYS 4 1HD LYS 4 -12.512 -11.874 -6.212 37 1HE LYS 4 2HE LYS 4 -13.270 -8.941 -6.102 38 2HE LYS 4 1HE LYS 4 -12.382 -9.689 -7.429 39 1HZ LYS 4 1HZ LYS 4 -14.214 -10.702 -8.198 40 2HZ LYS 4 2HZ LYS 4 -15.044 -9.504 -7.326 41 3HZ LYS 4 3HZ LYS 4 -14.819 -11.047 -6.652 42 H LEU 5 H LEU 5 -12.299 -9.066 -0.600 43 HA LEU 5 HA LEU 5 -10.372 -7.064 -1.265 44 1HB LEU 5 2HB LEU 5 -12.351 -7.248 0.556 45 2HB LEU 5 1HB LEU 5 -10.980 -7.611 1.600 46 HG LEU 5 HG LEU 5 -11.191 -5.160 -0.179 47 1HD1 LEU 5 1HD1 LEU 5 -11.687 -5.616 2.775 48 2HD1 LEU 5 2HD1 LEU 5 -12.790 -4.917 1.590 49 3HD1 LEU 5 3HD1 LEU 5 -11.363 -4.018 2.104 50 1HD2 LEU 5 1HD2 LEU 5 -9.279 -4.486 1.470 51 2HD2 LEU 5 2HD2 LEU 5 -8.887 -5.578 0.142 52 3HD2 LEU 5 3HD2 LEU 5 -9.140 -6.217 1.767 53 H ALA 6 H ALA 6 -10.139 -10.059 0.577 54 HA ALA 6 HA ALA 6 -7.596 -9.666 1.775 55 1HB ALA 6 1HB ALA 6 -8.709 -12.272 0.705 56 2HB ALA 6 2HB ALA 6 -9.168 -11.559 2.252 57 3HB ALA 6 3HB ALA 6 -7.506 -12.081 1.978 58 H GLU 7 H GLU 7 -8.276 -11.480 -1.256 59 HA GLU 7 HA GLU 7 -5.576 -11.787 -2.040 60 1HB GLU 7 2HB GLU 7 -8.077 -11.512 -3.726 61 2HB GLU 7 1HB GLU 7 -6.505 -11.986 -4.372 62 1HG GLU 7 2HG GLU 7 -6.448 -13.929 -2.873 63 2HG GLU 7 1HG GLU 7 -7.990 -13.446 -2.167 64 H ILE 8 H ILE 8 -7.752 -9.037 -2.407 65 HA ILE 8 HA ILE 8 -6.186 -7.547 -4.284 66 HB ILE 8 HB ILE 8 -8.193 -6.782 -2.173 67 1HG1 ILE 8 2HG1 ILE 8 -8.221 -6.413 -5.181 68 2HG1 ILE 8 1HG1 ILE 8 -8.847 -7.855 -4.383 69 1HG2 ILE 8 1HG2 ILE 8 -7.989 -4.487 -3.506 70 2HG2 ILE 8 2HG2 ILE 8 -6.327 -5.036 -3.726 71 3HG2 ILE 8 3HG2 ILE 8 -6.977 -4.818 -2.102 72 1HD1 ILE 8 1HD1 ILE 8 -9.795 -5.237 -3.331 73 2HD1 ILE 8 2HD1 ILE 8 -10.670 -6.756 -3.520 74 3HD1 ILE 8 3HD1 ILE 8 -10.398 -5.715 -4.918 75 H ARG 9 H ARG 9 -6.209 -7.519 -0.707 76 HA ARG 9 HA ARG 9 -4.158 -5.518 -0.465 77 1HB ARG 9 2HB ARG 9 -5.042 -7.690 1.478 78 2HB ARG 9 1HB ARG 9 -3.989 -6.336 1.894 79 1HG ARG 9 2HG ARG 9 -5.908 -4.855 0.903 80 2HG ARG 9 1HG ARG 9 -6.915 -6.282 1.148 81 1HD ARG 9 2HD ARG 9 -6.227 -6.334 3.534 82 2HD ARG 9 1HD ARG 9 -5.255 -4.890 3.267 83 HE ARG 9 HE ARG 9 -7.791 -4.129 2.441 84 1HH1 ARG 9 1HH2 ARG 9 -6.482 -5.638 5.248 85 2HH1 ARG 9 2HH2 ARG 9 -7.450 -4.723 6.360 86 1HH2 ARG 9 1HH1 ARG 9 -9.135 -2.989 3.877 87 2HH2 ARG 9 2HH1 ARG 9 -8.948 -3.219 5.583 88 H LYS 10 H LYS 10 -4.076 -8.935 -1.129 89 HA LYS 10 HA LYS 10 -1.320 -9.392 -0.365 90 1HB LYS 10 2HB LYS 10 -3.231 -10.831 -2.231 91 2HB LYS 10 1HB LYS 10 -1.577 -11.384 -1.970 92 1HG LYS 10 2HG LYS 10 -2.055 -11.475 0.496 93 2HG LYS 10 1HG LYS 10 -3.736 -11.076 0.140 94 1HD LYS 10 2HD LYS 10 -3.902 -13.095 -1.290 95 2HD LYS 10 1HD LYS 10 -2.236 -13.506 -0.882 96 1HE LYS 10 2HE LYS 10 -2.850 -13.655 1.502 97 2HE LYS 10 1HE LYS 10 -4.516 -13.238 1.101 98 1HZ LYS 10 1HZ LYS 10 -3.276 -15.757 1.022 99 2HZ LYS 10 2HZ LYS 10 -3.746 -15.341 -0.557 100 3HZ LYS 10 3HZ LYS 10 -4.895 -15.366 0.696 101 H LYS 11 H LYS 11 -2.976 -8.259 -3.279 102 HA LYS 11 HA LYS 11 -0.750 -8.328 -5.069 103 1HB LYS 11 2HB LYS 11 -3.038 -6.323 -4.981 104 2HB LYS 11 1HB LYS 11 -1.974 -6.604 -6.357 105 1HG LYS 11 2HG LYS 11 -2.764 -9.100 -6.105 106 2HG LYS 11 1HG LYS 11 -4.118 -8.382 -5.231 107 1HD LYS 11 2HD LYS 11 -4.571 -6.905 -7.178 108 2HD LYS 11 1HD LYS 11 -3.253 -7.683 -8.055 109 1HE LYS 11 2HE LYS 11 -4.427 -9.876 -7.782 110 2HE LYS 11 1HE LYS 11 -5.779 -9.017 -7.040 111 1HZ LYS 11 1HZ LYS 11 -5.437 -7.602 -9.273 112 2HZ LYS 11 2HZ LYS 11 -6.505 -8.918 -9.149 113 3HZ LYS 11 3HZ LYS 11 -4.959 -9.134 -9.820 114 H ILE 12 H ILE 12 -1.890 -5.869 -2.767 115 HA ILE 12 HA ILE 12 0.039 -3.859 -3.356 116 HB ILE 12 HB ILE 12 -1.542 -4.583 -0.892 117 1HG1 ILE 12 2HG1 ILE 12 -2.491 -2.305 -1.319 118 2HG1 ILE 12 1HG1 ILE 12 -1.471 -2.182 -2.752 119 1HG2 ILE 12 1HG2 ILE 12 0.408 -3.760 0.143 120 2HG2 ILE 12 2HG2 ILE 12 -0.610 -2.326 -0.006 121 3HG2 ILE 12 3HG2 ILE 12 0.711 -2.594 -1.145 122 1HD1 ILE 12 1HD1 ILE 12 -3.907 -3.005 -3.070 123 2HD1 ILE 12 2HD1 ILE 12 -3.339 -4.519 -2.366 124 3HD1 ILE 12 3HD1 ILE 12 -2.623 -3.918 -3.863 125 H ASP 13 H ASP 13 0.161 -6.758 -1.363 126 HA ASP 13 HA ASP 13 2.585 -6.297 0.027 127 1HB ASP 13 2HB ASP 13 0.924 -8.251 0.273 128 2HB ASP 13 1HB ASP 13 1.761 -8.989 -1.092 129 H GLU 14 H GLU 14 2.019 -7.726 -3.195 130 HA GLU 14 HA GLU 14 4.761 -8.230 -3.818 131 1HB GLU 14 2HB GLU 14 2.420 -7.580 -5.634 132 2HB GLU 14 1HB GLU 14 3.981 -8.171 -6.199 133 1HG GLU 14 2HG GLU 14 2.201 -9.639 -4.228 134 2HG GLU 14 1HG GLU 14 2.293 -9.996 -5.953 135 H ILE 15 H ILE 15 2.808 -5.331 -3.851 136 HA ILE 15 HA ILE 15 4.808 -3.783 -5.363 137 HB ILE 15 HB ILE 15 2.172 -3.114 -4.044 138 1HG1 ILE 15 2HG1 ILE 15 1.860 -2.223 -6.482 139 2HG1 ILE 15 1HG1 ILE 15 3.265 -3.225 -6.851 140 1HG2 ILE 15 1HG2 ILE 15 2.676 -0.779 -5.104 141 2HG2 ILE 15 2HG2 ILE 15 4.365 -1.277 -4.981 142 3HG2 ILE 15 3HG2 ILE 15 3.369 -1.166 -3.530 143 1HD1 ILE 15 1HD1 ILE 15 1.165 -4.479 -7.220 144 2HD1 ILE 15 2HD1 ILE 15 0.707 -4.201 -5.539 145 3HD1 ILE 15 3HD1 ILE 15 2.111 -5.198 -5.917 146 H ASP 16 H ASP 16 3.711 -4.177 -2.025 147 HA ASP 16 HA ASP 16 5.116 -2.055 -0.804 148 1HB ASP 16 2HB ASP 16 4.435 -4.837 0.195 149 2HB ASP 16 1HB ASP 16 5.122 -3.588 1.232 150 H ASN 17 H ASN 17 6.219 -5.428 -1.289 151 HA ASN 17 HA ASN 17 8.893 -4.980 -0.390 152 1HB ASN 17 2HB ASN 17 7.991 -6.979 -2.488 153 2HB ASN 17 1HB ASN 17 9.417 -7.084 -1.459 154 1HD2 ASN 17 1HD2 ASN 17 6.982 -5.726 0.408 155 2HD2 ASN 17 2HD2 ASN 17 6.400 -7.141 1.156 156 H LYS 18 H LYS 18 7.344 -4.598 -3.536 157 HA LYS 18 HA LYS 18 9.668 -4.275 -5.143 158 1HB LYS 18 2HB LYS 18 7.333 -4.536 -5.998 159 2HB LYS 18 1HB LYS 18 6.990 -2.888 -5.476 160 1HG LYS 18 2HG LYS 18 8.766 -2.043 -6.973 161 2HG LYS 18 1HG LYS 18 9.108 -3.692 -7.497 162 1HD LYS 18 2HD LYS 18 6.783 -3.903 -8.331 163 2HD LYS 18 1HD LYS 18 6.463 -2.241 -7.835 164 1HE LYS 18 2HE LYS 18 8.189 -1.423 -9.378 165 2HE LYS 18 1HE LYS 18 8.571 -3.079 -9.850 166 1HZ LYS 18 1HZ LYS 18 5.865 -2.877 -10.177 167 2HZ LYS 18 2HZ LYS 18 7.030 -2.833 -11.412 168 3HZ LYS 18 3HZ LYS 18 6.449 -1.386 -10.736 169 H ILE 19 H ILE 19 7.791 -1.835 -3.314 170 HA ILE 19 HA ILE 19 9.466 0.364 -4.200 171 HB ILE 19 HB ILE 19 7.196 0.805 -3.477 172 1HG1 ILE 19 2HG1 ILE 19 9.370 2.277 -2.758 173 2HG1 ILE 19 1HG1 ILE 19 7.708 2.783 -2.459 174 1HG2 ILE 19 1HG2 ILE 19 6.685 0.549 -0.987 175 2HG2 ILE 19 2HG2 ILE 19 8.130 -0.456 -0.894 176 3HG2 ILE 19 3HG2 ILE 19 6.777 -0.947 -1.914 177 1HD1 ILE 19 1HD1 ILE 19 9.290 2.873 -0.451 178 2HD1 ILE 19 2HD1 ILE 19 9.259 1.109 -0.477 179 3HD1 ILE 19 3HD1 ILE 19 7.770 2.014 -0.205 180 H LEU 20 H LEU 20 9.602 -1.920 -1.534 181 HA LEU 20 HA LEU 20 11.569 -0.405 -0.006 182 1HB LEU 20 2HB LEU 20 10.670 -3.298 0.063 183 2HB LEU 20 1HB LEU 20 11.921 -2.668 1.131 184 HG LEU 20 HG LEU 20 9.130 -1.497 0.934 185 1HD1 LEU 20 1HD1 LEU 20 8.856 -3.692 1.831 186 2HD1 LEU 20 2HD1 LEU 20 8.904 -2.614 3.227 187 3HD1 LEU 20 3HD1 LEU 20 10.328 -3.560 2.796 188 1HD2 LEU 20 1HD2 LEU 20 11.582 -0.967 2.583 189 2HD2 LEU 20 2HD2 LEU 20 10.000 -0.724 3.323 190 3HD2 LEU 20 3HD2 LEU 20 10.446 0.183 1.877 191 H LYS 21 H LYS 21 11.649 -2.453 -2.788 192 HA LYS 21 HA LYS 21 14.461 -3.224 -2.478 193 1HB LYS 21 2HB LYS 21 12.787 -4.635 -3.707 194 2HB LYS 21 1HB LYS 21 12.704 -3.384 -4.947 195 1HG LYS 21 2HG LYS 21 15.076 -3.662 -5.446 196 2HG LYS 21 1HG LYS 21 15.252 -4.809 -4.119 197 1HD LYS 21 2HD LYS 21 15.045 -6.163 -6.056 198 2HD LYS 21 1HD LYS 21 13.447 -6.204 -5.310 199 1HE LYS 21 2HE LYS 21 12.571 -4.623 -6.877 200 2HE LYS 21 1HE LYS 21 14.181 -4.207 -7.461 201 1HZ LYS 21 1HZ LYS 21 12.681 -6.723 -7.876 202 2HZ LYS 21 2HZ LYS 21 14.355 -6.613 -8.147 203 3HZ LYS 21 3HZ LYS 21 13.280 -5.653 -9.049 204 H ALA 22 H ALA 22 16.192 -2.058 -3.211 205 HA ALA 22 HA ALA 22 15.718 0.078 -5.223 206 1HB ALA 22 1HB ALA 22 16.920 1.727 -3.901 207 2HB ALA 22 2HB ALA 22 17.245 0.534 -2.643 208 3HB ALA 22 3HB ALA 22 15.596 1.084 -2.932 209 H ARG 23 H ARG 23 16.907 -2.326 -5.838 210 HA ARG 23 HA ARG 23 19.761 -2.359 -5.493 211 1HB ARG 23 2HB ARG 23 17.944 -3.652 -7.552 212 2HB ARG 23 1HB ARG 23 19.684 -3.933 -7.492 213 1HG ARG 23 2HG ARG 23 19.479 -4.763 -5.173 214 2HG ARG 23 1HG ARG 23 17.742 -4.458 -5.215 215 1HD ARG 23 2HD ARG 23 17.506 -6.082 -7.079 216 2HD ARG 23 1HD ARG 23 19.242 -6.408 -7.016 217 HE ARG 23 HE ARG 23 17.278 -7.576 -5.275 218 1HH1 ARG 23 1HH2 ARG 23 20.464 -6.263 -5.389 219 2HH1 ARG 23 2HH2 ARG 23 20.999 -7.096 -3.968 220 1HH2 ARG 23 1HH1 ARG 23 17.964 -8.647 -3.383 221 2HH2 ARG 23 2HH1 ARG 23 19.598 -8.442 -2.840 222 H TRP 24 H TRP 24 17.663 -1.037 -8.048 223 HA TRP 24 HA TRP 24 20.066 0.097 -9.390 224 1HB TRP 24 2HB TRP 24 18.375 -1.131 -10.771 225 2HB TRP 24 1HB TRP 24 17.182 0.084 -10.322 226 HD1 TRP 24 HD TRP 24 17.137 2.276 -11.682 227 HE1 TRP 24 1HE TRP 24 18.589 3.270 -13.571 228 HE3 TRP 24 3HE TRP 24 20.973 -1.092 -11.711 229 HZ2 TRP 24 2HZ TRP 24 21.056 2.705 -14.914 230 HZ3 TRP 24 3HZ TRP 24 22.857 -0.843 -13.298 231 HH2 TRP 24 HH TRP 24 22.905 1.049 -14.899 232 HA PRO 25 HA PRO 25 19.487 4.042 -7.430 233 1HB PRO 25 2HB PRO 25 20.481 4.999 -10.097 234 2HB PRO 25 1HB PRO 25 21.011 5.462 -8.468 235 1HG PRO 25 2HG PRO 25 22.469 3.810 -9.905 236 2HG PRO 25 1HG PRO 25 22.233 3.514 -8.172 237 1HD PRO 25 2HD PRO 25 20.977 2.114 -10.509 238 2HD PRO 25 1HD PRO 25 21.482 1.455 -8.937 239 H TRP 26 H TRP 26 17.905 5.662 -7.433 240 HA TRP 26 HA TRP 26 15.876 6.684 -8.029 241 1HB TRP 26 2HB TRP 26 17.435 7.606 -9.799 242 2HB TRP 26 1HB TRP 26 16.876 6.316 -10.864 243 HD1 TRP 26 HD TRP 26 14.573 6.592 -12.006 244 HE1 TRP 26 1HE TRP 26 12.781 8.446 -12.009 245 HE3 TRP 26 3HE TRP 26 16.326 9.511 -8.204 246 HZ2 TRP 26 2HZ TRP 26 12.174 10.854 -10.582 247 HZ3 TRP 26 3HZ TRP 26 15.126 11.576 -7.546 248 HH2 TRP 26 HH TRP 26 13.054 12.251 -8.729 249 H ALA 27 H ALA 27 14.598 4.838 -7.355 250 HA ALA 27 HA ALA 27 13.988 2.727 -9.279 251 1HB ALA 27 1HB ALA 27 12.780 3.455 -6.594 252 2HB ALA 27 2HB ALA 27 13.949 2.175 -6.920 253 3HB ALA 27 3HB ALA 27 12.304 2.043 -7.538 254 H GLU 28 H GLU 28 13.383 5.589 -9.960 255 HA GLU 28 HA GLU 28 11.650 6.834 -10.946 256 1HB GLU 28 2HB GLU 28 10.654 4.011 -11.447 257 2HB GLU 28 1HB GLU 28 10.005 5.453 -12.227 258 1HG GLU 28 2HG GLU 28 12.909 4.592 -12.371 259 2HG GLU 28 1HG GLU 28 11.712 4.275 -13.627 260 H LYS 29 H LYS 29 9.043 6.884 -10.961 261 HA LYS 29 HA LYS 29 8.276 6.706 -8.093 262 1HB LYS 29 2HB LYS 29 6.882 8.139 -10.379 263 2HB LYS 29 1HB LYS 29 6.479 8.266 -8.668 264 1HG LYS 29 2HG LYS 29 9.253 8.920 -9.647 265 2HG LYS 29 1HG LYS 29 7.968 10.124 -9.707 266 1HD LYS 29 2HD LYS 29 7.568 9.767 -7.268 267 2HD LYS 29 1HD LYS 29 8.937 8.655 -7.238 268 1HE LYS 29 2HE LYS 29 9.716 10.830 -6.506 269 2HE LYS 29 1HE LYS 29 10.387 10.517 -8.106 270 1HZ LYS 29 1HZ LYS 29 7.854 11.993 -7.733 271 2HZ LYS 29 2HZ LYS 29 8.859 11.951 -9.102 272 3HZ LYS 29 3HZ LYS 29 9.356 12.780 -7.704 273 H LEU 30 H LEU 30 6.533 5.443 -7.428 274 HA LEU 30 HA LEU 30 4.866 4.133 -9.487 275 1HB LEU 30 2HB LEU 30 6.697 2.546 -9.250 276 2HB LEU 30 1HB LEU 30 6.560 2.596 -7.494 277 HG LEU 30 HG LEU 30 4.319 1.607 -7.612 278 1HD1 LEU 30 1HD1 LEU 30 3.714 0.696 -9.993 279 2HD1 LEU 30 2HD1 LEU 30 4.786 1.976 -10.564 280 3HD1 LEU 30 3HD1 LEU 30 3.360 2.381 -9.608 281 1HD2 LEU 30 1HD2 LEU 30 6.405 0.144 -9.266 282 2HD2 LEU 30 2HD2 LEU 30 4.961 -0.613 -8.590 283 3HD2 LEU 30 3HD2 LEU 30 6.195 0.049 -7.517 284 H ILE 31 H ILE 31 2.845 4.600 -8.782 285 HA ILE 31 HA ILE 31 2.114 3.911 -6.003 286 HB ILE 31 HB ILE 31 1.025 6.131 -5.641 287 1HG1 ILE 31 2HG1 ILE 31 2.591 6.947 -8.111 288 2HG1 ILE 31 1HG1 ILE 31 0.847 6.694 -8.078 289 1HG2 ILE 31 1HG2 ILE 31 3.419 5.530 -4.910 290 2HG2 ILE 31 2HG2 ILE 31 3.014 7.246 -4.967 291 3HG2 ILE 31 3HG2 ILE 31 3.956 6.518 -6.269 292 1HD1 ILE 31 1HD1 ILE 31 0.770 8.410 -6.186 293 2HD1 ILE 31 2HD1 ILE 31 1.158 9.044 -7.784 294 3HD1 ILE 31 3HD1 ILE 31 2.440 8.796 -6.599 295 H ALA 32 H ALA 32 1.417 4.194 -9.298 296 HA ALA 32 HA ALA 32 -1.415 4.508 -9.309 297 1HB ALA 32 1HB ALA 32 0.470 3.053 -11.179 298 2HB ALA 32 2HB ALA 32 -0.232 4.656 -11.388 299 3HB ALA 32 3HB ALA 32 -1.257 3.225 -11.504 300 H GLU 33 H GLU 33 0.549 1.509 -9.290 301 HA GLU 33 HA GLU 33 -1.559 -0.353 -9.244 302 1HB GLU 33 2HB GLU 33 1.129 -0.464 -7.835 303 2HB GLU 33 1HB GLU 33 0.057 -1.850 -8.035 304 1HG GLU 33 2HG GLU 33 1.168 -0.200 -10.323 305 2HG GLU 33 1HG GLU 33 1.836 -1.742 -9.788 306 H ARG 34 H ARG 34 0.003 1.289 -6.476 307 HA ARG 34 HA ARG 34 -1.600 0.067 -4.449 308 1HB ARG 34 2HB ARG 34 -0.019 2.627 -4.630 309 2HB ARG 34 1HB ARG 34 -1.042 2.335 -3.231 310 1HG ARG 34 2HG ARG 34 0.833 0.155 -4.079 311 2HG ARG 34 1HG ARG 34 1.493 1.559 -3.238 312 1HD ARG 34 2HD ARG 34 -0.835 -0.038 -2.239 313 2HD ARG 34 1HD ARG 34 0.804 -0.342 -1.745 314 HE ARG 34 HE ARG 34 0.354 2.392 -1.165 315 1HH1 ARG 34 1HH2 ARG 34 -1.083 -0.663 -0.550 316 2HH1 ARG 34 2HH2 ARG 34 -1.730 -0.200 0.989 317 1HH2 ARG 34 1HH1 ARG 34 -0.508 3.047 0.847 318 2HH2 ARG 34 2HH1 ARG 34 -1.405 1.886 1.776 319 H ASN 35 H ASN 35 -2.021 3.109 -6.260 320 HA ASN 35 HA ASN 35 -4.479 3.830 -4.972 321 1HB ASN 35 2HB ASN 35 -3.155 5.475 -6.257 322 2HB ASN 35 1HB ASN 35 -3.446 4.551 -7.736 323 1HD2 ASN 35 1HD2 ASN 35 -4.392 7.344 -6.587 324 2HD2 ASN 35 2HD2 ASN 35 -6.056 7.344 -6.951 325 H SER 36 H SER 36 -3.757 1.999 -7.945 326 HA SER 36 HA SER 36 -6.284 1.680 -9.055 327 1HB SER 36 2HB SER 36 -5.520 -0.442 -9.927 328 2HB SER 36 1HB SER 36 -4.134 0.643 -9.882 329 HG SER 36 HG SER 36 -3.259 -0.876 -8.726 330 H LEU 37 H LEU 37 -5.052 -1.029 -7.113 331 HA LEU 37 HA LEU 37 -7.426 -2.217 -6.389 332 1HB LEU 37 2HB LEU 37 -4.943 -1.784 -4.728 333 2HB LEU 37 1HB LEU 37 -6.301 -2.724 -4.125 334 HG LEU 37 HG LEU 37 -4.650 -4.219 -5.102 335 1HD1 LEU 37 1HD1 LEU 37 -7.283 -4.324 -5.638 336 2HD1 LEU 37 2HD1 LEU 37 -6.143 -5.531 -6.234 337 3HD1 LEU 37 3HD1 LEU 37 -6.664 -4.215 -7.286 338 1HD2 LEU 37 1HD2 LEU 37 -3.748 -2.384 -6.651 339 2HD2 LEU 37 2HD2 LEU 37 -5.046 -2.838 -7.757 340 3HD2 LEU 37 3HD2 LEU 37 -3.815 -4.019 -7.309 341 H ALA 38 H ALA 38 -5.924 0.561 -4.736 342 HA ALA 38 HA ALA 38 -7.535 0.938 -2.543 343 1HB ALA 38 1HB ALA 38 -5.681 2.464 -3.603 344 2HB ALA 38 2HB ALA 38 -6.911 3.176 -2.558 345 3HB ALA 38 3HB ALA 38 -7.055 3.311 -4.310 346 H LYS 39 H LYS 39 -8.386 2.006 -5.845 347 HA LYS 39 HA LYS 39 -10.984 3.003 -5.146 348 1HB LYS 39 2HB LYS 39 -9.928 3.626 -7.250 349 2HB LYS 39 1HB LYS 39 -9.906 1.942 -7.770 350 1HG LYS 39 2HG LYS 39 -12.514 3.213 -7.003 351 2HG LYS 39 1HG LYS 39 -11.836 3.517 -8.603 352 1HD LYS 39 2HD LYS 39 -11.556 0.760 -8.240 353 2HD LYS 39 1HD LYS 39 -13.152 1.129 -7.589 354 1HE LYS 39 2HE LYS 39 -13.630 2.412 -9.709 355 2HE LYS 39 1HE LYS 39 -12.114 1.788 -10.359 356 1HZ LYS 39 1HZ LYS 39 -14.190 0.493 -10.905 357 2HZ LYS 39 2HZ LYS 39 -14.222 0.014 -9.274 358 3HZ LYS 39 3HZ LYS 39 -12.902 -0.402 -10.260 359 H ASP 40 H ASP 40 -9.982 -0.146 -6.522 360 HA ASP 40 HA ASP 40 -12.595 -1.288 -6.582 361 1HB ASP 40 2HB ASP 40 -9.827 -2.500 -6.386 362 2HB ASP 40 1HB ASP 40 -11.283 -3.492 -6.497 363 H VAL 41 H VAL 41 -10.123 -1.169 -4.038 364 HA VAL 41 HA VAL 41 -11.393 -2.941 -2.200 365 HB VAL 41 HB VAL 41 -9.606 -0.538 -1.728 366 1HG1 VAL 41 1HG1 VAL 41 -9.214 -1.701 0.509 367 2HG1 VAL 41 2HG1 VAL 41 -10.651 -2.661 0.157 368 3HG1 VAL 41 3HG1 VAL 41 -10.780 -0.911 0.324 369 1HG2 VAL 41 1HG2 VAL 41 -8.598 -2.405 -3.008 370 2HG2 VAL 41 2HG2 VAL 41 -9.050 -3.522 -1.722 371 3HG2 VAL 41 3HG2 VAL 41 -7.864 -2.256 -1.410 372 H ALA 42 H ALA 42 -11.644 0.583 -2.626 373 HA ALA 42 HA ALA 42 -13.352 1.197 -0.490 374 1HB ALA 42 1HB ALA 42 -12.397 2.542 -2.730 375 2HB ALA 42 2HB ALA 42 -13.449 3.225 -1.491 376 3HB ALA 42 3HB ALA 42 -14.146 2.549 -2.964 377 H GLU 43 H GLU 43 -14.194 -0.031 -3.722 378 HA GLU 43 HA GLU 43 -17.007 0.005 -3.505 379 1HB GLU 43 2HB GLU 43 -15.763 -0.605 -5.574 380 2HB GLU 43 1HB GLU 43 -15.286 -2.126 -4.820 381 1HG GLU 43 2HG GLU 43 -17.641 -2.790 -4.617 382 2HG GLU 43 1HG GLU 43 -18.146 -1.248 -5.309 383 H ILE 44 H ILE 44 -14.899 -2.826 -2.880 384 HA ILE 44 HA ILE 44 -16.879 -4.461 -1.705 385 HB ILE 44 HB ILE 44 -13.974 -4.384 -0.871 386 1HG1 ILE 44 2HG1 ILE 44 -13.992 -4.446 -3.287 387 2HG1 ILE 44 1HG1 ILE 44 -13.653 -6.076 -2.710 388 1HG2 ILE 44 1HG2 ILE 44 -16.165 -6.452 -0.808 389 2HG2 ILE 44 2HG2 ILE 44 -15.147 -5.893 0.520 390 3HG2 ILE 44 3HG2 ILE 44 -14.465 -6.915 -0.746 391 1HD1 ILE 44 1HD1 ILE 44 -16.209 -4.990 -3.879 392 2HD1 ILE 44 2HD1 ILE 44 -16.213 -6.441 -2.877 393 3HD1 ILE 44 3HD1 ILE 44 -15.288 -6.409 -4.379 394 H LYS 45 H LYS 45 -14.908 -1.891 -0.294 395 HA LYS 45 HA LYS 45 -15.321 -2.427 2.456 396 1HB LYS 45 2HB LYS 45 -15.029 0.208 0.977 397 2HB LYS 45 1HB LYS 45 -15.062 0.088 2.735 398 1HG LYS 45 2HG LYS 45 -13.156 -1.654 1.206 399 2HG LYS 45 1HG LYS 45 -12.751 0.046 1.450 400 1HD LYS 45 2HD LYS 45 -13.285 -0.354 3.936 401 2HD LYS 45 1HD LYS 45 -13.234 -2.073 3.552 402 1HE LYS 45 2HE LYS 45 -11.035 -1.367 4.343 403 2HE LYS 45 1HE LYS 45 -10.934 -1.759 2.627 404 1HZ LYS 45 1HZ LYS 45 -9.895 0.422 3.470 405 2HZ LYS 45 2HZ LYS 45 -11.492 1.003 3.495 406 3HZ LYS 45 3HZ LYS 45 -10.806 0.455 2.041 407 H ASN 46 H ASN 46 -17.321 -0.573 0.171 408 HA ASN 46 HA ASN 46 -19.367 0.185 2.012 409 1HB ASN 46 2HB ASN 46 -19.172 1.170 -0.228 410 2HB ASN 46 1HB ASN 46 -19.524 -0.395 -0.962 411 1HD2 ASN 46 1HD2 ASN 46 -21.085 1.265 1.829 412 2HD2 ASN 46 2HD2 ASN 46 -22.645 1.248 1.158 413 H GLN 47 H GLN 47 -18.804 -2.755 0.142 414 HA GLN 47 HA GLN 47 -21.361 -3.961 0.777 415 1HB GLN 47 2HB GLN 47 -18.868 -5.520 0.106 416 2HB GLN 47 1HB GLN 47 -20.540 -5.890 -0.308 417 1HG GLN 47 2HG GLN 47 -20.601 -3.949 -1.826 418 2HG GLN 47 1HG GLN 47 -18.927 -3.576 -1.415 419 1HE2 GLN 47 1HE2 GLN 47 -19.088 -6.892 -1.341 420 2HE2 GLN 47 2HE2 GLN 47 -18.625 -7.235 -2.938 421 H LEU 48 H LEU 48 -18.513 -3.395 2.561 422 HA LEU 48 HA LEU 48 -19.082 -5.624 4.457 423 1HB LEU 48 2HB LEU 48 -16.727 -3.720 4.203 424 2HB LEU 48 1HB LEU 48 -16.923 -4.844 5.546 425 HG LEU 48 HG LEU 48 -17.083 -5.886 2.733 426 1HD1 LEU 48 1HD1 LEU 48 -14.609 -5.049 4.247 427 2HD1 LEU 48 2HD1 LEU 48 -15.032 -4.711 2.570 428 3HD1 LEU 48 3HD1 LEU 48 -14.551 -6.339 3.047 429 1HD2 LEU 48 1HD2 LEU 48 -16.061 -7.008 5.368 430 2HD2 LEU 48 2HD2 LEU 48 -16.125 -7.891 3.842 431 3HD2 LEU 48 3HD2 LEU 48 -17.619 -7.377 4.625 432 H GLY 49 H GLY 49 -19.742 -2.354 3.954 433 1HA GLY 49 2HA GLY 49 -20.969 -0.855 5.284 434 2HA GLY 49 1HA GLY 49 -21.065 -2.103 6.522 435 H ILE 50 H ILE 50 -18.181 -2.466 6.809 436 HA ILE 50 HA ILE 50 -17.579 -0.615 8.828 437 HB ILE 50 HB ILE 50 -15.121 -1.145 8.257 438 1HG1 ILE 50 2HG1 ILE 50 -15.186 -3.373 6.811 439 2HG1 ILE 50 1HG1 ILE 50 -16.604 -2.603 6.099 440 1HG2 ILE 50 1HG2 ILE 50 -17.077 -3.411 8.738 441 2HG2 ILE 50 2HG2 ILE 50 -16.449 -2.321 9.974 442 3HG2 ILE 50 3HG2 ILE 50 -15.360 -3.430 9.140 443 1HD1 ILE 50 1HD1 ILE 50 -14.780 -0.533 6.165 444 2HD1 ILE 50 2HD1 ILE 50 -15.117 -1.534 4.752 445 3HD1 ILE 50 3HD1 ILE 50 -13.758 -1.924 5.806 446 HA PRO 51 HA PRO 51 -16.717 3.197 6.839 447 1HB PRO 51 2HB PRO 51 -14.803 4.245 8.480 448 2HB PRO 51 1HB PRO 51 -16.508 4.098 8.954 449 1HG PRO 51 2HG PRO 51 -14.212 2.285 9.586 450 2HG PRO 51 1HG PRO 51 -15.473 2.921 10.663 451 1HD PRO 51 2HD PRO 51 -15.642 0.425 9.658 452 2HD PRO 51 1HD PRO 51 -17.094 1.426 9.875 453 H ILE 52 H ILE 52 -15.203 4.293 5.497 454 HA ILE 52 HA ILE 52 -13.293 2.675 4.132 455 HB ILE 52 HB ILE 52 -13.366 5.707 4.256 456 1HG1 ILE 52 2HG1 ILE 52 -14.860 3.835 2.394 457 2HG1 ILE 52 1HG1 ILE 52 -15.596 4.686 3.751 458 1HG2 ILE 52 1HG2 ILE 52 -12.425 5.524 1.975 459 2HG2 ILE 52 2HG2 ILE 52 -12.408 3.767 2.127 460 3HG2 ILE 52 3HG2 ILE 52 -11.375 4.751 3.163 461 1HD1 ILE 52 1HD1 ILE 52 -14.181 6.025 1.425 462 2HD1 ILE 52 2HD1 ILE 52 -15.004 6.844 2.754 463 3HD1 ILE 52 3HD1 ILE 52 -15.932 5.887 1.599 464 H ASN 53 H ASN 53 -12.920 5.109 6.699 465 HA ASN 53 HA ASN 53 -10.046 4.965 6.738 466 1HB ASN 53 2HB ASN 53 -11.638 6.768 7.791 467 2HB ASN 53 1HB ASN 53 -11.673 5.668 9.171 468 1HD2 ASN 53 1HD2 ASN 53 -10.137 6.275 10.691 469 2HD2 ASN 53 2HD2 ASN 53 -8.580 6.862 10.336 470 H ASP 54 H ASP 54 -8.848 3.283 7.430 471 HA ASP 54 HA ASP 54 -9.877 1.639 9.679 472 1HB ASP 54 2HB ASP 54 -8.634 0.358 7.253 473 2HB ASP 54 1HB ASP 54 -9.567 -0.403 8.541 474 HA PRO 55 HA PRO 55 -5.362 3.228 9.932 475 1HB PRO 55 2HB PRO 55 -5.807 3.286 12.748 476 2HB PRO 55 1HB PRO 55 -5.722 4.685 11.660 477 1HG PRO 55 2HG PRO 55 -8.100 3.207 12.660 478 2HG PRO 55 1HG PRO 55 -7.894 4.937 12.328 479 1HD PRO 55 2HD PRO 55 -9.308 3.498 10.632 480 2HD PRO 55 1HD PRO 55 -8.106 4.639 9.984 481 H GLU 56 H GLU 56 -7.005 1.227 12.404 482 HA GLU 56 HA GLU 56 -5.125 -0.450 13.343 483 1HB GLU 56 2HB GLU 56 -7.740 -1.315 12.075 484 2HB GLU 56 1HB GLU 56 -6.743 -2.370 13.075 485 1HG GLU 56 2HG GLU 56 -6.948 -0.824 14.967 486 2HG GLU 56 1HG GLU 56 -7.878 0.298 13.974 487 H ARG 57 H ARG 57 -6.708 -1.290 10.249 488 HA ARG 57 HA ARG 57 -4.864 -3.209 9.360 489 1HB ARG 57 2HB ARG 57 -6.855 -2.923 8.085 490 2HB ARG 57 1HB ARG 57 -6.554 -1.202 7.865 491 1HG ARG 57 2HG ARG 57 -6.070 -2.435 5.794 492 2HG ARG 57 1HG ARG 57 -4.600 -1.716 6.444 493 1HD ARG 57 2HD ARG 57 -3.890 -3.820 7.358 494 2HD ARG 57 1HD ARG 57 -5.445 -4.559 6.976 495 HE ARG 57 HE ARG 57 -4.595 -3.764 4.500 496 1HH1 ARG 57 1HH2 ARG 57 -3.171 -5.512 7.122 497 2HH1 ARG 57 2HH2 ARG 57 -2.281 -6.598 6.090 498 1HH2 ARG 57 1HH1 ARG 57 -3.404 -5.153 3.150 499 2HH2 ARG 57 2HH1 ARG 57 -2.435 -6.405 3.855 500 H GLU 58 H GLU 58 -4.779 0.325 8.887 501 HA GLU 58 HA GLU 58 -2.360 0.393 7.365 502 1HB GLU 58 2HB GLU 58 -3.453 2.486 9.281 503 2HB GLU 58 1HB GLU 58 -2.261 2.767 8.010 504 1HG GLU 58 2HG GLU 58 -3.880 2.176 6.289 505 2HG GLU 58 1HG GLU 58 -5.068 1.728 7.514 506 H LYS 59 H LYS 59 -2.993 0.343 10.856 507 HA LYS 59 HA LYS 59 -0.324 0.900 11.734 508 1HB LYS 59 2HB LYS 59 -2.471 -0.815 13.041 509 2HB LYS 59 1HB LYS 59 -1.025 -0.211 13.849 510 1HG LYS 59 2HG LYS 59 -2.922 1.694 12.478 511 2HG LYS 59 1HG LYS 59 -3.242 1.133 14.118 512 1HD LYS 59 2HD LYS 59 -1.031 1.949 14.839 513 2HD LYS 59 1HD LYS 59 -0.700 2.506 13.199 514 1HE LYS 59 2HE LYS 59 -1.467 4.427 14.398 515 2HE LYS 59 1HE LYS 59 -2.817 3.916 13.387 516 1HZ LYS 59 1HZ LYS 59 -4.023 3.762 15.219 517 2HZ LYS 59 2HZ LYS 59 -2.679 4.104 16.202 518 3HZ LYS 59 3HZ LYS 59 -3.024 2.501 15.757 519 H TYR 60 H TYR 60 -1.999 -2.117 10.906 520 HA TYR 60 HA TYR 60 0.035 -3.967 11.586 521 1HB TYR 60 2HB TYR 60 -2.162 -4.764 10.985 522 2HB TYR 60 1HB TYR 60 -2.057 -4.013 9.395 523 HD1 TYR 60 1HD TYR 60 -1.055 -5.148 7.565 524 HD2 TYR 60 2HD TYR 60 -0.555 -6.654 11.558 525 HE1 TYR 60 1HE TYR 60 -0.000 -7.202 6.658 526 HE2 TYR 60 2HE TYR 60 0.493 -8.711 10.648 527 HH TYR 60 HH TYR 60 1.304 -9.708 8.821 528 H ILE 61 H ILE 61 -0.432 -2.000 8.675 529 HA ILE 61 HA ILE 61 1.650 -3.138 7.083 530 HB ILE 61 HB ILE 61 0.543 -0.316 7.184 531 1HG1 ILE 61 2HG1 ILE 61 -1.093 -2.047 6.542 532 2HG1 ILE 61 1HG1 ILE 61 -0.684 -1.034 5.159 533 1HG2 ILE 61 1HG2 ILE 61 2.729 -0.198 6.185 534 2HG2 ILE 61 2HG2 ILE 61 1.553 -0.158 4.869 535 3HG2 ILE 61 3HG2 ILE 61 2.428 -1.647 5.226 536 1HD1 ILE 61 1HD1 ILE 61 1.186 -2.921 4.826 537 2HD1 ILE 61 2HD1 ILE 61 -0.438 -3.096 4.160 538 3HD1 ILE 61 3HD1 ILE 61 -0.015 -3.894 5.675 539 H TYR 62 H TYR 62 1.676 -0.498 9.480 540 HA TYR 62 HA TYR 62 4.349 0.366 9.141 541 1HB TYR 62 2HB TYR 62 2.478 0.304 11.517 542 2HB TYR 62 1HB TYR 62 4.138 0.870 11.705 543 HD1 TYR 62 1HD TYR 62 1.641 1.262 8.916 544 HD2 TYR 62 2HD TYR 62 4.136 3.203 11.829 545 HE1 TYR 62 1HE TYR 62 0.981 3.478 8.011 546 HE2 TYR 62 2HE TYR 62 3.480 5.414 10.919 547 HH TYR 62 HH TYR 62 1.943 6.473 9.596 548 H ASP 63 H ASP 63 3.035 -2.258 11.154 549 HA ASP 63 HA ASP 63 5.594 -3.060 12.223 550 1HB ASP 63 2HB ASP 63 2.831 -4.244 12.114 551 2HB ASP 63 1HB ASP 63 4.185 -5.270 12.588 552 H ARG 64 H ARG 64 3.669 -4.001 9.407 553 HA ARG 64 HA ARG 64 5.273 -6.296 8.684 554 1HB ARG 64 2HB ARG 64 2.936 -5.959 7.871 555 2HB ARG 64 1HB ARG 64 3.482 -4.579 6.921 556 1HG ARG 64 2HG ARG 64 4.911 -5.989 5.565 557 2HG ARG 64 1HG ARG 64 4.609 -7.372 6.612 558 1HD ARG 64 2HD ARG 64 3.213 -7.574 4.616 559 2HD ARG 64 1HD ARG 64 2.187 -7.296 6.023 560 HE ARG 64 HE ARG 64 2.842 -4.779 4.809 561 1HH1 ARG 64 1HH2 ARG 64 1.221 -7.634 4.139 562 2HH1 ARG 64 2HH2 ARG 64 0.171 -6.952 2.953 563 1HH2 ARG 64 1HH1 ARG 64 1.490 -3.758 3.296 564 2HH2 ARG 64 2HH1 ARG 64 0.303 -4.724 2.473 565 H ILE 65 H ILE 65 5.200 -2.915 7.548 566 HA ILE 65 HA ILE 65 7.271 -3.193 5.599 567 HB ILE 65 HB ILE 65 6.422 -0.772 7.217 568 1HG1 ILE 65 2HG1 ILE 65 4.622 -1.667 5.817 569 2HG1 ILE 65 1HG1 ILE 65 5.225 -0.164 5.120 570 1HG2 ILE 65 1HG2 ILE 65 8.628 -0.353 6.378 571 2HG2 ILE 65 2HG2 ILE 65 7.507 0.479 5.302 572 3HG2 ILE 65 3HG2 ILE 65 8.232 -1.051 4.808 573 1HD1 ILE 65 1HD1 ILE 65 6.817 -1.778 3.774 574 2HD1 ILE 65 2HD1 ILE 65 5.155 -1.539 3.237 575 3HD1 ILE 65 3HD1 ILE 65 5.587 -2.982 4.154 576 H ARG 66 H ARG 66 7.403 -2.290 9.057 577 HA ARG 66 HA ARG 66 10.153 -1.647 9.216 578 1HB ARG 66 2HB ARG 66 8.249 -2.875 11.228 579 2HB ARG 66 1HB ARG 66 9.930 -2.549 11.631 580 1HG ARG 66 2HG ARG 66 9.657 -0.199 11.227 581 2HG ARG 66 1HG ARG 66 8.057 -0.442 10.533 582 1HD ARG 66 2HD ARG 66 8.522 -1.425 13.303 583 2HD ARG 66 1HD ARG 66 8.384 0.309 13.078 584 HE ARG 66 HE ARG 66 6.229 -1.066 11.726 585 1HH1 ARG 66 1HH2 ARG 66 7.411 -0.507 14.839 586 2HH1 ARG 66 2HH2 ARG 66 5.859 -0.700 15.614 587 1HH2 ARG 66 1HH1 ARG 66 4.184 -1.278 12.640 588 2HH2 ARG 66 2HH1 ARG 66 4.030 -1.162 14.364 589 H LYS 67 H LYS 67 8.552 -4.825 9.362 590 HA LYS 67 HA LYS 67 10.909 -6.340 9.993 591 1HB LYS 67 2HB LYS 67 8.585 -7.205 10.233 592 2HB LYS 67 1HB LYS 67 8.436 -7.237 8.477 593 1HG LYS 67 2HG LYS 67 10.310 -8.836 8.339 594 2HG LYS 67 1HG LYS 67 10.482 -8.794 10.094 595 1HD LYS 67 2HD LYS 67 8.166 -9.648 10.336 596 2HD LYS 67 1HD LYS 67 8.017 -9.718 8.580 597 1HE LYS 67 2HE LYS 67 10.171 -11.197 10.115 598 2HE LYS 67 1HE LYS 67 8.621 -11.921 9.687 599 1HZ LYS 67 1HZ LYS 67 10.624 -10.808 7.794 600 2HZ LYS 67 2HZ LYS 67 9.102 -11.418 7.350 601 3HZ LYS 67 3HZ LYS 67 10.268 -12.451 8.029 602 H LEU 68 H LEU 68 9.284 -5.760 6.844 603 HA LEU 68 HA LEU 68 11.323 -7.067 5.287 604 1HB LEU 68 2HB LEU 68 9.386 -4.867 4.499 605 2HB LEU 68 1HB LEU 68 10.339 -5.824 3.368 606 HG LEU 68 HG LEU 68 8.356 -7.017 5.329 607 1HD1 LEU 68 1HD1 LEU 68 7.030 -5.740 3.831 608 2HD1 LEU 68 2HD1 LEU 68 7.039 -7.359 3.133 609 3HD1 LEU 68 3HD1 LEU 68 8.081 -6.105 2.461 610 1HD2 LEU 68 1HD2 LEU 68 9.859 -8.723 4.695 611 2HD2 LEU 68 2HD2 LEU 68 10.055 -8.070 3.068 612 3HD2 LEU 68 3HD2 LEU 68 8.559 -8.889 3.515 613 H CYS 69 H CYS 69 10.964 -3.822 6.584 614 HA CYS 69 HA CYS 69 12.842 -2.421 5.006 615 1HB CYS 69 2HB CYS 69 11.308 -1.516 6.858 616 2HB CYS 69 1HB CYS 69 12.558 -2.029 7.991 617 HG CYS 69 HG CYS 69 13.903 -0.052 7.353 618 H LYS 70 H LYS 70 13.428 -4.127 8.097 619 HA LYS 70 HA LYS 70 16.269 -3.788 8.059 620 1HB LYS 70 2HB LYS 70 14.773 -6.120 9.279 621 2HB LYS 70 1HB LYS 70 16.334 -5.473 9.777 622 1HG LYS 70 2HG LYS 70 13.665 -4.037 9.968 623 2HG LYS 70 1HG LYS 70 14.583 -4.710 11.315 624 1HD LYS 70 2HD LYS 70 16.506 -3.184 10.552 625 2HD LYS 70 1HD LYS 70 15.301 -2.358 9.562 626 1HE LYS 70 2HE LYS 70 13.948 -1.878 11.544 627 2HE LYS 70 1HE LYS 70 15.073 -2.783 12.557 628 1HZ LYS 70 1HZ LYS 70 15.207 -0.123 12.016 629 2HZ LYS 70 2HZ LYS 70 16.371 -0.784 10.970 630 3HZ LYS 70 3HZ LYS 70 16.466 -1.070 12.642 631 H GLU 71 H GLU 71 14.131 -6.209 6.638 632 HA GLU 71 HA GLU 71 16.082 -8.181 6.000 633 1HB GLU 71 2HB GLU 71 13.487 -7.434 4.633 634 2HB GLU 71 1HB GLU 71 14.452 -8.838 4.181 635 1HG GLU 71 2HG GLU 71 13.409 -8.334 6.979 636 2HG GLU 71 1HG GLU 71 12.607 -9.365 5.795 637 H HIS 72 H HIS 72 14.749 -5.614 3.869 638 HA HIS 72 HA HIS 72 16.683 -6.199 1.785 639 1HB HIS 72 2HB HIS 72 14.934 -3.750 2.143 640 2HB HIS 72 1HB HIS 72 15.746 -4.245 0.659 641 HD1 HIS 72 1HD HIS 72 15.008 -6.759 -0.211 642 HD2 HIS 72 2HD HIS 72 12.392 -4.828 2.402 643 HE1 HIS 72 1HE HIS 72 12.772 -7.933 -0.436 644 HE2 HIS 72 2HE HIS 72 11.173 -6.764 1.150 645 H ASN 73 H ASN 73 17.009 -4.681 4.731 646 HA ASN 73 HA ASN 73 18.455 -2.982 5.547 647 1HB ASN 73 2HB ASN 73 20.146 -4.705 3.722 648 2HB ASN 73 1HB ASN 73 20.839 -3.460 4.770 649 1HD2 ASN 73 1HD2 ASN 73 19.022 -3.807 7.017 650 2HD2 ASN 73 2HD2 ASN 73 19.327 -5.333 7.709 651 H VAL 74 H VAL 74 16.976 -2.256 3.026 652 HA VAL 74 HA VAL 74 18.875 -0.760 1.402 653 HB VAL 74 HB VAL 74 15.872 -0.911 1.553 654 1HG1 VAL 74 1HG1 VAL 74 16.142 1.384 1.066 655 2HG1 VAL 74 2HG1 VAL 74 16.000 0.628 -0.520 656 3HG1 VAL 74 3HG1 VAL 74 17.585 1.097 0.094 657 1HG2 VAL 74 1HG2 VAL 74 16.070 -1.918 -0.591 658 2HG2 VAL 74 2HG2 VAL 74 17.376 -2.623 0.359 659 3HG2 VAL 74 3HG2 VAL 74 17.722 -1.337 -0.798 660 H ASP 75 H ASP 75 16.452 0.095 3.885 661 HA ASP 75 HA ASP 75 18.074 2.375 4.722 662 1HB ASP 75 2HB ASP 75 15.441 2.803 3.294 663 2HB ASP 75 1HB ASP 75 16.187 4.024 4.325 664 H GLU 76 H GLU 76 15.952 3.791 6.019 665 HA GLU 76 HA GLU 76 14.729 1.732 7.794 666 1HB GLU 76 2HB GLU 76 16.878 2.510 8.813 667 2HB GLU 76 1HB GLU 76 16.245 4.157 8.807 668 1HG GLU 76 2HG GLU 76 15.823 3.262 10.999 669 2HG GLU 76 1HG GLU 76 14.276 3.294 10.152 670 H ASN 77 H ASN 77 14.810 5.029 8.805 671 HA ASN 77 HA ASN 77 11.982 5.288 8.884 672 1HB ASN 77 2HB ASN 77 12.353 7.595 9.457 673 2HB ASN 77 1HB ASN 77 13.647 6.654 10.197 674 1HD2 ASN 77 1HD2 ASN 77 15.444 6.276 8.121 675 2HD2 ASN 77 2HD2 ASN 77 15.991 7.771 7.529 676 H ILE 78 H ILE 78 14.307 6.370 6.405 677 HA ILE 78 HA ILE 78 12.602 7.963 4.845 678 HB ILE 78 HB ILE 78 14.594 5.974 3.723 679 1HG1 ILE 78 2HG1 ILE 78 15.705 8.578 3.992 680 2HG1 ILE 78 1HG1 ILE 78 14.995 8.160 5.551 681 1HG2 ILE 78 1HG2 ILE 78 13.477 8.625 2.764 682 2HG2 ILE 78 2HG2 ILE 78 13.269 7.045 2.007 683 3HG2 ILE 78 3HG2 ILE 78 14.855 7.816 2.018 684 1HD1 ILE 78 1HD1 ILE 78 17.362 7.399 5.343 685 2HD1 ILE 78 2HD1 ILE 78 16.883 6.372 3.991 686 3HD1 ILE 78 3HD1 ILE 78 16.240 6.064 5.603 687 H GLY 79 H GLY 79 12.943 4.416 4.782 688 1HA GLY 79 2HA GLY 79 11.097 3.980 2.637 689 2HA GLY 79 1HA GLY 79 11.560 2.773 3.837 690 H ILE 80 H ILE 80 10.605 3.748 6.181 691 HA ILE 80 HA ILE 80 7.802 3.200 6.021 692 HB ILE 80 HB ILE 80 9.438 4.497 8.214 693 1HG1 ILE 80 2HG1 ILE 80 8.339 1.683 7.939 694 2HG1 ILE 80 1HG1 ILE 80 10.004 2.136 7.570 695 1HG2 ILE 80 1HG2 ILE 80 7.171 5.141 8.602 696 2HG2 ILE 80 2HG2 ILE 80 7.455 3.743 9.639 697 3HG2 ILE 80 3HG2 ILE 80 6.565 3.555 8.127 698 1HD1 ILE 80 1HD1 ILE 80 8.625 1.973 10.221 699 2HD1 ILE 80 2HD1 ILE 80 9.888 3.186 10.015 700 3HD1 ILE 80 3HD1 ILE 80 10.259 1.477 9.776 701 H LYS 81 H LYS 81 9.570 6.280 6.340 702 HA LYS 81 HA LYS 81 7.372 8.015 6.688 703 1HB LYS 81 2HB LYS 81 9.792 8.672 6.760 704 2HB LYS 81 1HB LYS 81 9.819 8.587 4.999 705 1HG LYS 81 2HG LYS 81 8.080 10.317 4.870 706 2HG LYS 81 1HG LYS 81 7.980 10.364 6.630 707 1HD LYS 81 2HD LYS 81 10.662 10.777 5.378 708 2HD LYS 81 1HD LYS 81 9.499 12.099 5.290 709 1HE LYS 81 2HE LYS 81 10.211 10.676 7.870 710 2HE LYS 81 1HE LYS 81 11.003 12.156 7.328 711 1HZ LYS 81 1HZ LYS 81 8.543 12.962 7.089 712 2HZ LYS 81 2HZ LYS 81 9.327 13.012 8.594 713 3HZ LYS 81 3HZ LYS 81 8.245 11.752 8.240 714 H ILE 82 H ILE 82 8.626 6.561 3.703 715 HA ILE 82 HA ILE 82 6.964 8.096 1.909 716 HB ILE 82 HB ILE 82 8.322 5.409 1.618 717 1HG1 ILE 82 2HG1 ILE 82 9.037 8.098 0.419 718 2HG1 ILE 82 1HG1 ILE 82 9.708 7.525 1.946 719 1HG2 ILE 82 1HG2 ILE 82 6.771 7.112 -0.342 720 2HG2 ILE 82 2HG2 ILE 82 6.581 5.391 0.000 721 3HG2 ILE 82 3HG2 ILE 82 7.998 5.964 -0.879 722 1HD1 ILE 82 1HD1 ILE 82 9.926 6.089 -0.719 723 2HD1 ILE 82 2HD1 ILE 82 10.603 5.527 0.810 724 3HD1 ILE 82 3HD1 ILE 82 11.218 7.001 0.062 725 H PHE 83 H PHE 83 6.557 4.898 3.441 726 HA PHE 83 HA PHE 83 4.186 4.133 2.079 727 1HB PHE 83 2HB PHE 83 5.411 3.450 4.732 728 2HB PHE 83 1HB PHE 83 3.778 2.886 4.373 729 HD1 PHE 83 1HD PHE 83 7.289 2.323 3.853 730 HD2 PHE 83 2HD PHE 83 3.403 1.615 2.161 731 HE1 PHE 83 1HE PHE 83 8.223 0.480 2.481 732 HE2 PHE 83 2HE PHE 83 4.340 -0.227 0.789 733 HZ PHE 83 HZ PHE 83 6.749 -0.795 0.949 734 H GLN 84 H GLN 84 4.416 5.579 5.352 735 HA GLN 84 HA GLN 84 1.745 5.999 5.914 736 1HB GLN 84 2HB GLN 84 2.507 8.112 7.095 737 2HB GLN 84 1HB GLN 84 3.428 6.666 7.506 738 1HG GLN 84 2HG GLN 84 5.206 7.309 5.965 739 2HG GLN 84 1HG GLN 84 4.267 8.698 5.415 740 1HE2 GLN 84 1HE2 GLN 84 5.446 10.468 6.258 741 2HE2 GLN 84 2HE2 GLN 84 5.847 10.645 7.902 742 H ARG 85 H ARG 85 3.759 7.825 3.657 743 HA ARG 85 HA ARG 85 1.831 9.889 3.100 744 1HB ARG 85 2HB ARG 85 4.298 9.977 2.521 745 2HB ARG 85 1HB ARG 85 3.977 8.819 1.233 746 1HG ARG 85 2HG ARG 85 3.818 10.845 0.079 747 2HG ARG 85 1HG ARG 85 2.129 10.575 0.518 748 1HD ARG 85 2HD ARG 85 2.866 12.903 1.048 749 2HD ARG 85 1HD ARG 85 2.383 12.025 2.476 750 HE ARG 85 HE ARG 85 5.178 11.646 2.194 751 1HH1 ARG 85 1HH2 ARG 85 2.871 14.182 2.629 752 2HH1 ARG 85 2HH2 ARG 85 4.010 15.294 3.319 753 1HH2 ARG 85 1HH1 ARG 85 6.692 13.113 3.150 754 2HH2 ARG 85 2HH1 ARG 85 6.153 14.698 3.594 755 H LEU 86 H LEU 86 2.479 6.692 1.693 756 HA LEU 86 HA LEU 86 0.564 6.926 -0.461 757 1HB LEU 86 2HB LEU 86 1.643 4.439 0.901 758 2HB LEU 86 1HB LEU 86 0.822 4.484 -0.657 759 HG LEU 86 HG LEU 86 3.426 5.892 -0.003 760 1HD1 LEU 86 1HD1 LEU 86 4.452 4.226 -1.482 761 2HD1 LEU 86 2HD1 LEU 86 2.883 3.464 -1.739 762 3HD1 LEU 86 3HD1 LEU 86 3.630 3.424 -0.143 763 1HD2 LEU 86 1HD2 LEU 86 2.474 7.186 -1.690 764 2HD2 LEU 86 2HD2 LEU 86 1.621 5.816 -2.403 765 3HD2 LEU 86 3HD2 LEU 86 3.361 5.990 -2.635 766 H ILE 87 H ILE 87 0.351 5.995 2.918 767 HA ILE 87 HA ILE 87 -2.172 4.641 2.811 768 HB ILE 87 HB ILE 87 -1.043 6.284 5.095 769 1HG1 ILE 87 2HG1 ILE 87 0.618 4.660 4.351 770 2HG1 ILE 87 1HG1 ILE 87 -0.103 4.093 5.857 771 1HG2 ILE 87 1HG2 ILE 87 -3.069 4.039 4.943 772 2HG2 ILE 87 2HG2 ILE 87 -3.349 5.695 5.484 773 3HG2 ILE 87 3HG2 ILE 87 -2.353 4.608 6.451 774 1HD1 ILE 87 1HD1 ILE 87 -0.507 3.067 3.061 775 2HD1 ILE 87 2HD1 ILE 87 -1.780 2.849 4.261 776 3HD1 ILE 87 3HD1 ILE 87 -0.179 2.162 4.539 777 H GLU 88 H GLU 88 -1.350 8.064 3.397 778 HA GLU 88 HA GLU 88 -4.044 8.969 3.776 779 1HB GLU 88 2HB GLU 88 -1.560 10.392 2.777 780 2HB GLU 88 1HB GLU 88 -3.076 11.215 3.140 781 1HG GLU 88 2HG GLU 88 -2.969 10.440 5.466 782 2HG GLU 88 1HG GLU 88 -1.493 9.540 5.112 783 H HIS 89 H HIS 89 -1.962 8.870 0.878 784 HA HIS 89 HA HIS 89 -3.887 9.954 -0.931 785 1HB HIS 89 2HB HIS 89 -2.198 9.706 -2.406 786 2HB HIS 89 1HB HIS 89 -1.250 9.056 -1.074 787 HD1 HIS 89 1HD HIS 89 -1.103 6.435 -0.876 788 HD2 HIS 89 2HD HIS 89 -3.022 7.806 -4.319 789 HE1 HIS 89 1HE HIS 89 -1.196 4.472 -2.477 790 HE2 HIS 89 2HE HIS 89 -2.361 5.296 -4.575 791 H ASN 90 H ASN 90 -3.466 6.760 0.417 792 HA ASN 90 HA ASN 90 -5.104 5.320 -1.472 793 1HB ASN 90 2HB ASN 90 -3.462 4.460 0.401 794 2HB ASN 90 1HB ASN 90 -4.888 4.561 1.435 795 1HD2 ASN 90 1HD2 ASN 90 -3.541 2.923 -1.426 796 2HD2 ASN 90 2HD2 ASN 90 -4.682 1.665 -1.450 797 H LYS 91 H LYS 91 -5.762 6.908 1.653 798 HA LYS 91 HA LYS 91 -8.617 6.284 1.565 799 1HB LYS 91 2HB LYS 91 -8.670 7.132 3.697 800 2HB LYS 91 1HB LYS 91 -6.920 6.942 3.589 801 1HG LYS 91 2HG LYS 91 -6.820 9.306 2.675 802 2HG LYS 91 1HG LYS 91 -8.527 9.461 3.087 803 1HD LYS 91 2HD LYS 91 -8.022 8.971 5.445 804 2HD LYS 91 1HD LYS 91 -6.317 8.767 5.049 805 1HE LYS 91 2HE LYS 91 -6.216 11.116 4.280 806 2HE LYS 91 1HE LYS 91 -7.918 11.320 4.692 807 1HZ LYS 91 1HZ LYS 91 -6.372 10.227 6.844 808 2HZ LYS 91 2HZ LYS 91 -7.434 11.553 6.837 809 3HZ LYS 91 3HZ LYS 91 -5.816 11.754 6.360 810 H ALA 92 H ALA 92 -6.639 8.473 -0.008 811 HA ALA 92 HA ALA 92 -8.381 10.786 -0.079 812 1HB ALA 92 1HB ALA 92 -5.920 10.857 -0.535 813 2HB ALA 92 2HB ALA 92 -6.895 11.614 -1.795 814 3HB ALA 92 3HB ALA 92 -6.226 10.003 -2.049 815 H LEU 93 H LEU 93 -7.551 8.426 -2.665 816 HA LEU 93 HA LEU 93 -9.797 9.368 -4.261 817 1HB LEU 93 2HB LEU 93 -9.011 7.911 -5.959 818 2HB LEU 93 1HB LEU 93 -7.575 8.540 -5.167 819 HG LEU 93 HG LEU 93 -7.228 6.201 -5.510 820 1HD1 LEU 93 1HD1 LEU 93 -8.092 6.478 -2.627 821 2HD1 LEU 93 2HD1 LEU 93 -6.598 7.157 -3.275 822 3HD1 LEU 93 3HD1 LEU 93 -6.847 5.412 -3.278 823 1HD2 LEU 93 1HD2 LEU 93 -8.835 4.611 -5.394 824 2HD2 LEU 93 2HD2 LEU 93 -9.953 5.975 -5.410 825 3HD2 LEU 93 3HD2 LEU 93 -9.482 5.240 -3.878 826 H GLN 94 H GLN 94 -9.454 7.046 -1.782 827 HA GLN 94 HA GLN 94 -11.572 5.244 -2.612 828 1HB GLN 94 2HB GLN 94 -10.153 5.836 -0.021 829 2HB GLN 94 1HB GLN 94 -11.580 4.799 -0.034 830 1HG GLN 94 2HG GLN 94 -10.503 3.358 -1.743 831 2HG GLN 94 1HG GLN 94 -9.053 4.362 -1.663 832 1HE2 GLN 94 1HE2 GLN 94 -7.731 4.238 0.278 833 2HE2 GLN 94 2HE2 GLN 94 -7.929 2.972 1.405 834 H LYS 95 H LYS 95 -11.405 7.977 -0.315 835 HA LYS 95 HA LYS 95 -14.202 7.935 0.347 836 1HB LYS 95 2HB LYS 95 -12.139 10.157 0.541 837 2HB LYS 95 1HB LYS 95 -13.754 10.241 1.241 838 1HG LYS 95 2HG LYS 95 -13.259 8.247 2.619 839 2HG LYS 95 1HG LYS 95 -11.635 8.179 1.930 840 1HD LYS 95 2HD LYS 95 -11.141 10.415 2.830 841 2HD LYS 95 1HD LYS 95 -12.774 10.523 3.487 842 1HE LYS 95 2HE LYS 95 -12.328 8.556 4.915 843 2HE LYS 95 1HE LYS 95 -10.690 8.461 4.269 844 1HZ LYS 95 1HZ LYS 95 -11.354 11.080 5.225 845 2HZ LYS 95 2HZ LYS 95 -10.012 10.102 5.588 846 3HZ LYS 95 3HZ LYS 95 -11.467 9.904 6.443 847 H GLN 96 H GLN 96 -12.308 9.761 -2.050 848 HA GLN 96 HA GLN 96 -14.564 11.358 -2.927 849 1HB GLN 96 2HB GLN 96 -13.059 12.383 -4.329 850 2HB GLN 96 1HB GLN 96 -11.898 11.621 -3.242 851 1HG GLN 96 2HG GLN 96 -11.917 9.614 -4.801 852 2HG GLN 96 1HG GLN 96 -12.842 10.601 -5.932 853 1HE2 GLN 96 1HE2 GLN 96 -11.290 11.039 -7.554 854 2HE2 GLN 96 2HE2 GLN 96 -9.795 11.784 -7.253 855 H TYR 97 H TYR 97 -13.064 8.340 -3.994 856 HA TYR 97 HA TYR 97 -14.517 8.049 -6.447 857 1HB TYR 97 2HB TYR 97 -12.550 6.699 -6.041 858 2HB TYR 97 1HB TYR 97 -13.264 6.014 -4.583 859 HD1 TYR 97 1HD TYR 97 -14.519 4.025 -4.703 860 HD2 TYR 97 2HD TYR 97 -13.825 6.312 -8.271 861 HE1 TYR 97 1HE TYR 97 -15.576 2.233 -6.057 862 HE2 TYR 97 2HE TYR 97 -14.880 4.521 -9.624 863 HH TYR 97 HH TYR 97 -15.497 1.430 -8.422 864 H LEU 98 H LEU 98 -15.104 6.597 -3.222 865 HA LEU 98 HA LEU 98 -17.541 5.295 -3.910 866 1HB LEU 98 2HB LEU 98 -16.512 6.366 -1.272 867 2HB LEU 98 1HB LEU 98 -18.018 5.463 -1.408 868 HG LEU 98 HG LEU 98 -15.311 4.428 -2.312 869 1HD1 LEU 98 1HD1 LEU 98 -15.833 2.860 -0.265 870 2HD1 LEU 98 2HD1 LEU 98 -16.853 4.200 0.261 871 3HD1 LEU 98 3HD1 LEU 98 -15.125 4.449 0.018 872 1HD2 LEU 98 1HD2 LEU 98 -18.114 3.342 -2.292 873 2HD2 LEU 98 2HD2 LEU 98 -16.765 2.231 -2.058 874 3HD2 LEU 98 3HD2 LEU 98 -16.870 3.192 -3.533 875 H GLU 99 H GLU 99 -16.917 8.573 -2.674 876 HA GLU 99 HA GLU 99 -19.666 9.352 -2.389 877 1HB GLU 99 2HB GLU 99 -17.731 10.598 -1.412 878 2HB GLU 99 1HB GLU 99 -17.291 11.117 -3.040 879 1HG GLU 99 2HG GLU 99 -18.601 12.881 -1.986 880 2HG GLU 99 1HG GLU 99 -19.561 12.146 -3.272 881 H GLU 100 H GLU 100 -17.401 9.518 -5.113 882 HA GLU 100 HA GLU 100 -19.203 11.026 -6.803 883 1HB GLU 100 2HB GLU 100 -17.480 11.053 -8.286 884 2HB GLU 100 1HB GLU 100 -16.553 10.489 -6.897 885 1HG GLU 100 2HG GLU 100 -15.981 8.943 -8.566 886 2HG GLU 100 1HG GLU 100 -17.258 8.104 -7.686 887 H THR 101 H THR 101 -18.998 7.692 -5.948 888 HA THR 101 HA THR 101 -20.415 6.768 -8.361 889 HB THR 101 HB THR 101 -20.558 4.612 -6.939 890 HG1 THR 101 1HG THR 101 -19.443 4.595 -5.103 891 1HG2 THR 101 1HG2 THR 101 -18.931 4.998 -8.770 892 2HG2 THR 101 2HG2 THR 101 -18.230 4.051 -7.457 893 3HG2 THR 101 3HG2 THR 101 -17.837 5.764 -7.618 894 H LEU 102 H LEU 102 -21.148 7.782 -5.089 895 HA LEU 102 HA LEU 102 -23.878 6.741 -5.106 896 1HB LEU 102 2HB LEU 102 -22.531 8.804 -3.329 897 2HB LEU 102 1HB LEU 102 -24.146 8.149 -3.058 898 HG LEU 102 HG LEU 102 -21.633 6.462 -3.226 899 1HD1 LEU 102 1HD1 LEU 102 -23.238 7.256 -0.780 900 2HD1 LEU 102 2HD1 LEU 102 -21.699 7.989 -1.232 901 3HD1 LEU 102 3HD1 LEU 102 -21.771 6.279 -0.806 902 1HD2 LEU 102 1HD2 LEU 102 -24.552 5.931 -2.763 903 2HD2 LEU 102 2HD2 LEU 102 -23.363 4.897 -1.974 904 3HD2 LEU 102 3HD2 LEU 102 -23.396 5.019 -3.732 905 H GLU 103 H GLU 103 -22.272 9.661 -6.140 906 HA GLU 103 HA GLU 103 -24.729 11.248 -6.358 907 1HB GLU 103 2HB GLU 103 -21.907 11.658 -7.390 908 2HB GLU 103 1HB GLU 103 -23.203 12.834 -7.589 909 1HG GLU 103 2HG GLU 103 -23.441 13.022 -5.159 910 2HG GLU 103 1HG GLU 103 -22.199 11.790 -4.923 911 H HIS 104 H HIS 104 -23.144 8.882 -8.190 912 HA HIS 104 HA HIS 104 -24.093 9.801 -10.828 913 1HB HIS 104 2HB HIS 104 -21.921 8.516 -10.503 914 2HB HIS 104 1HB HIS 104 -22.884 7.104 -10.071 915 HD1 HIS 104 1HD HIS 104 -22.699 9.609 -12.967 916 HD2 HIS 104 2HD HIS 104 -23.539 5.577 -12.285 917 HE1 HIS 104 1HE HIS 104 -23.205 8.586 -15.231 918 HE2 HIS 104 2HE HIS 104 -23.719 6.136 -14.828 919 H2 TSA 501 1H2 TSA 501 -4.291 -0.192 4.943 920 H3 TSA 501 1H3 TSA 501 -6.516 -0.276 6.050 921 H4 TSA 501 4H TSA 501 -8.448 0.817 4.963 922 HO5 TSA 501 HO5 TSA 501 -7.342 2.005 6.608 923 H5 TSA 501 5H TSA 501 -7.935 2.825 3.355 924 1H6 TSA 501 1H6 TSA 501 -5.752 2.669 2.124 925 2H6 TSA 501 2H6 TSA 501 -5.411 2.879 3.783 926 H8 TSA 501 8H TSA 501 -7.563 -0.364 0.940 927 1H9 TSA 501 1H9 TSA 501 -5.235 -0.988 1.953 928 2H9 TSA 501 2H9 TSA 501 -5.341 0.341 0.960 Start of MODEL 9 1 1H MET 1 1HT MET 1 -14.618 -11.952 -2.831 2 2H MET 1 2HT MET 1 -16.123 -11.877 -3.614 3 3H MET 1 3HT MET 1 -15.898 -12.926 -2.295 4 HA MET 1 HA MET 1 -16.252 -10.010 -2.328 5 1HB MET 1 2HB MET 1 -17.172 -12.236 -0.468 6 2HB MET 1 1HB MET 1 -17.665 -10.545 -0.370 7 1HG MET 1 2HG MET 1 -19.429 -11.525 -1.567 8 2HG MET 1 1HG MET 1 -18.415 -10.863 -2.847 9 1HE MET 1 1HE MET 1 -20.100 -14.352 -3.894 10 2HE MET 1 2HE MET 1 -19.719 -12.798 -4.630 11 3HE MET 1 3HE MET 1 -20.626 -12.849 -3.120 12 H ILE 2 H ILE 2 -15.725 -12.001 0.523 13 HA ILE 2 HA ILE 2 -13.863 -10.167 1.704 14 HB ILE 2 HB ILE 2 -14.486 -13.081 2.305 15 1HG1 ILE 2 2HG1 ILE 2 -15.287 -10.558 3.793 16 2HG1 ILE 2 1HG1 ILE 2 -16.311 -11.326 2.580 17 1HG2 ILE 2 1HG2 ILE 2 -12.326 -12.703 3.226 18 2HG2 ILE 2 2HG2 ILE 2 -13.443 -12.443 4.565 19 3HG2 ILE 2 3HG2 ILE 2 -12.737 -11.061 3.726 20 1HD1 ILE 2 1HD1 ILE 2 -15.284 -12.666 5.104 21 2HD1 ILE 2 2HD1 ILE 2 -16.332 -13.413 3.900 22 3HD1 ILE 2 3HD1 ILE 2 -16.921 -12.059 4.866 23 H GLU 3 H GLU 3 -13.405 -13.271 -0.006 24 HA GLU 3 HA GLU 3 -10.579 -13.457 0.328 25 1HB GLU 3 2HB GLU 3 -12.056 -15.280 -0.575 26 2HB GLU 3 1HB GLU 3 -12.195 -14.369 -2.078 27 1HG GLU 3 2HG GLU 3 -10.442 -16.010 -2.373 28 2HG GLU 3 1HG GLU 3 -9.680 -14.423 -2.254 29 H LYS 4 H LYS 4 -12.555 -11.782 -2.100 30 HA LYS 4 HA LYS 4 -10.500 -11.023 -3.901 31 1HB LYS 4 2HB LYS 4 -13.071 -9.619 -3.114 32 2HB LYS 4 1HB LYS 4 -12.055 -9.099 -4.458 33 1HG LYS 4 2HG LYS 4 -12.323 -11.320 -5.521 34 2HG LYS 4 1HG LYS 4 -13.334 -11.839 -4.173 35 1HD LYS 4 2HD LYS 4 -14.964 -10.064 -4.699 36 2HD LYS 4 1HD LYS 4 -13.958 -9.535 -6.046 37 1HE LYS 4 2HE LYS 4 -14.222 -11.741 -7.122 38 2HE LYS 4 1HE LYS 4 -15.218 -12.284 -5.771 39 1HZ LYS 4 1HZ LYS 4 -16.022 -9.803 -7.065 40 2HZ LYS 4 2HZ LYS 4 -16.976 -11.069 -6.453 41 3HZ LYS 4 3HZ LYS 4 -16.230 -11.220 -7.971 42 H LEU 5 H LEU 5 -11.650 -9.435 -0.934 43 HA LEU 5 HA LEU 5 -10.055 -7.070 -1.096 44 1HB LEU 5 2HB LEU 5 -11.917 -7.318 0.489 45 2HB LEU 5 1HB LEU 5 -11.069 -8.621 1.314 46 HG LEU 5 HG LEU 5 -9.539 -6.096 1.088 47 1HD1 LEU 5 1HD1 LEU 5 -10.851 -5.137 3.054 48 2HD1 LEU 5 2HD1 LEU 5 -12.107 -6.319 2.685 49 3HD1 LEU 5 3HD1 LEU 5 -11.686 -5.084 1.501 50 1HD2 LEU 5 1HD2 LEU 5 -8.821 -6.715 3.277 51 2HD2 LEU 5 2HD2 LEU 5 -8.983 -8.242 2.409 52 3HD2 LEU 5 3HD2 LEU 5 -10.239 -7.731 3.538 53 H ALA 6 H ALA 6 -9.384 -10.303 0.194 54 HA ALA 6 HA ALA 6 -6.852 -9.631 1.384 55 1HB ALA 6 1HB ALA 6 -6.489 -12.089 1.414 56 2HB ALA 6 2HB ALA 6 -7.914 -12.295 0.395 57 3HB ALA 6 3HB ALA 6 -8.083 -11.654 2.029 58 H GLU 7 H GLU 7 -7.615 -11.333 -1.676 59 HA GLU 7 HA GLU 7 -4.985 -11.615 -2.612 60 1HB GLU 7 2HB GLU 7 -7.499 -11.076 -4.224 61 2HB GLU 7 1HB GLU 7 -5.975 -11.650 -4.905 62 1HG GLU 7 2HG GLU 7 -7.547 -13.096 -2.752 63 2HG GLU 7 1HG GLU 7 -7.586 -13.505 -4.468 64 H ILE 8 H ILE 8 -7.115 -8.805 -2.800 65 HA ILE 8 HA ILE 8 -5.483 -7.240 -4.555 66 HB ILE 8 HB ILE 8 -7.481 -6.449 -2.417 67 1HG1 ILE 8 2HG1 ILE 8 -7.714 -6.296 -5.434 68 2HG1 ILE 8 1HG1 ILE 8 -8.206 -7.722 -4.523 69 1HG2 ILE 8 1HG2 ILE 8 -7.323 -4.316 -4.111 70 2HG2 ILE 8 2HG2 ILE 8 -5.639 -4.839 -4.076 71 3HG2 ILE 8 3HG2 ILE 8 -6.462 -4.414 -2.575 72 1HD1 ILE 8 1HD1 ILE 8 -9.250 -4.932 -3.957 73 2HD1 ILE 8 2HD1 ILE 8 -9.846 -6.450 -3.280 74 3HD1 ILE 8 3HD1 ILE 8 -10.076 -6.094 -4.992 75 H ARG 9 H ARG 9 -5.616 -7.457 -1.000 76 HA ARG 9 HA ARG 9 -3.590 -5.447 -0.545 77 1HB ARG 9 2HB ARG 9 -4.642 -7.685 1.225 78 2HB ARG 9 1HB ARG 9 -3.530 -6.435 1.779 79 1HG ARG 9 2HG ARG 9 -5.297 -4.750 0.911 80 2HG ARG 9 1HG ARG 9 -6.393 -6.125 0.854 81 1HD ARG 9 2HD ARG 9 -5.926 -6.552 3.285 82 2HD ARG 9 1HD ARG 9 -4.935 -5.097 3.311 83 HE ARG 9 HE ARG 9 -7.379 -4.205 2.332 84 1HH1 ARG 9 1HH2 ARG 9 -6.672 -6.418 4.845 85 2HH1 ARG 9 2HH2 ARG 9 -7.591 -5.579 6.058 86 1HH2 ARG 9 1HH1 ARG 9 -8.682 -3.114 3.868 87 2HH2 ARG 9 2HH1 ARG 9 -8.715 -3.690 5.500 88 H LYS 10 H LYS 10 -3.517 -8.831 -1.343 89 HA LYS 10 HA LYS 10 -0.815 -9.406 -0.494 90 1HB LYS 10 2HB LYS 10 -2.660 -10.637 -2.560 91 2HB LYS 10 1HB LYS 10 -1.035 -11.248 -2.262 92 1HG LYS 10 2HG LYS 10 -1.649 -11.508 0.161 93 2HG LYS 10 1HG LYS 10 -3.306 -11.081 -0.264 94 1HD LYS 10 2HD LYS 10 -3.383 -12.991 -1.840 95 2HD LYS 10 1HD LYS 10 -1.742 -13.434 -1.369 96 1HE LYS 10 2HE LYS 10 -2.489 -13.764 0.956 97 2HE LYS 10 1HE LYS 10 -4.129 -13.301 0.502 98 1HZ LYS 10 1HZ LYS 10 -3.972 -15.673 0.524 99 2HZ LYS 10 2HZ LYS 10 -2.605 -15.652 -0.486 100 3HZ LYS 10 3HZ LYS 10 -4.118 -15.171 -1.090 101 H LYS 11 H LYS 11 -2.258 -8.125 -3.484 102 HA LYS 11 HA LYS 11 0.112 -8.071 -5.083 103 1HB LYS 11 2HB LYS 11 -2.139 -6.031 -5.132 104 2HB LYS 11 1HB LYS 11 -1.038 -6.424 -6.451 105 1HG LYS 11 2HG LYS 11 -2.120 -8.894 -5.812 106 2HG LYS 11 1HG LYS 11 -3.485 -7.798 -5.590 107 1HD LYS 11 2HD LYS 11 -1.738 -7.846 -8.070 108 2HD LYS 11 1HD LYS 11 -3.288 -8.674 -7.935 109 1HE LYS 11 2HE LYS 11 -4.422 -6.541 -7.508 110 2HE LYS 11 1HE LYS 11 -2.879 -5.690 -7.574 111 1HZ LYS 11 1HZ LYS 11 -3.310 -7.329 -9.872 112 2HZ LYS 11 2HZ LYS 11 -2.923 -5.678 -9.780 113 3HZ LYS 11 3HZ LYS 11 -4.543 -6.181 -9.682 114 H ILE 12 H ILE 12 -1.246 -5.728 -2.768 115 HA ILE 12 HA ILE 12 0.621 -3.624 -3.089 116 HB ILE 12 HB ILE 12 -1.025 -4.637 -0.785 117 1HG1 ILE 12 2HG1 ILE 12 -2.101 -2.486 -1.003 118 2HG1 ILE 12 1HG1 ILE 12 -0.822 -1.892 -2.061 119 1HG2 ILE 12 1HG2 ILE 12 -0.108 -2.545 0.450 120 2HG2 ILE 12 2HG2 ILE 12 1.262 -2.673 -0.656 121 3HG2 ILE 12 3HG2 ILE 12 0.886 -4.001 0.441 122 1HD1 ILE 12 1HD1 ILE 12 -3.059 -2.719 -3.135 123 2HD1 ILE 12 2HD1 ILE 12 -2.410 -4.331 -2.833 124 3HD1 ILE 12 3HD1 ILE 12 -1.531 -3.208 -3.868 125 H ASP 13 H ASP 13 0.855 -6.684 -1.333 126 HA ASP 13 HA ASP 13 3.261 -6.222 0.102 127 1HB ASP 13 2HB ASP 13 1.675 -8.238 0.227 128 2HB ASP 13 1HB ASP 13 2.520 -8.853 -1.192 129 H GLU 14 H GLU 14 2.748 -7.449 -3.208 130 HA GLU 14 HA GLU 14 5.521 -7.804 -3.851 131 1HB GLU 14 2HB GLU 14 3.120 -7.222 -5.618 132 2HB GLU 14 1HB GLU 14 4.715 -7.649 -6.235 133 1HG GLU 14 2HG GLU 14 4.623 -9.792 -5.017 134 2HG GLU 14 1HG GLU 14 3.034 -9.366 -4.382 135 H ILE 15 H ILE 15 3.493 -4.992 -3.612 136 HA ILE 15 HA ILE 15 5.416 -3.297 -5.107 137 HB ILE 15 HB ILE 15 2.761 -2.700 -3.769 138 1HG1 ILE 15 2HG1 ILE 15 3.125 -2.104 -6.618 139 2HG1 ILE 15 1HG1 ILE 15 3.316 -3.818 -6.252 140 1HG2 ILE 15 1HG2 ILE 15 4.030 -0.706 -3.523 141 2HG2 ILE 15 2HG2 ILE 15 3.087 -0.460 -4.993 142 3HG2 ILE 15 3HG2 ILE 15 4.790 -0.902 -5.102 143 1HD1 ILE 15 1HD1 ILE 15 0.933 -2.955 -6.780 144 2HD1 ILE 15 2HD1 ILE 15 0.983 -2.241 -5.167 145 3HD1 ILE 15 3HD1 ILE 15 1.133 -3.988 -5.365 146 H ASP 16 H ASP 16 4.157 -3.789 -1.827 147 HA ASP 16 HA ASP 16 5.396 -1.640 -0.488 148 1HB ASP 16 2HB ASP 16 3.776 -3.421 0.428 149 2HB ASP 16 1HB ASP 16 5.206 -4.422 0.675 150 H ASN 17 H ASN 17 6.703 -4.963 -0.873 151 HA ASN 17 HA ASN 17 9.306 -4.372 0.158 152 1HB ASN 17 2HB ASN 17 8.281 -6.668 -0.241 153 2HB ASN 17 1HB ASN 17 8.677 -6.442 -1.946 154 1HD2 ASN 17 1HD2 ASN 17 10.415 -7.980 -2.084 155 2HD2 ASN 17 2HD2 ASN 17 11.836 -7.847 -1.143 156 H LYS 18 H LYS 18 7.920 -4.067 -3.070 157 HA LYS 18 HA LYS 18 10.329 -3.718 -4.541 158 1HB LYS 18 2HB LYS 18 8.067 -4.076 -5.537 159 2HB LYS 18 1HB LYS 18 7.627 -2.436 -5.066 160 1HG LYS 18 2HG LYS 18 9.464 -1.545 -6.475 161 2HG LYS 18 1HG LYS 18 9.886 -3.189 -6.955 162 1HD LYS 18 2HD LYS 18 7.618 -3.485 -7.917 163 2HD LYS 18 1HD LYS 18 7.218 -1.829 -7.464 164 1HE LYS 18 2HE LYS 18 9.004 -0.978 -8.922 165 2HE LYS 18 1HE LYS 18 9.462 -2.627 -9.346 166 1HZ LYS 18 1HZ LYS 18 6.702 -2.307 -9.766 167 2HZ LYS 18 2HZ LYS 18 7.914 -2.635 -10.910 168 3HZ LYS 18 3HZ LYS 18 7.507 -1.028 -10.535 169 H ILE 19 H ILE 19 8.274 -1.312 -2.886 170 HA ILE 19 HA ILE 19 9.890 0.937 -3.714 171 HB ILE 19 HB ILE 19 7.580 1.291 -3.069 172 1HG1 ILE 19 2HG1 ILE 19 9.667 2.860 -2.309 173 2HG1 ILE 19 1HG1 ILE 19 7.980 3.303 -2.064 174 1HG2 ILE 19 1HG2 ILE 19 7.173 -0.455 -1.508 175 2HG2 ILE 19 2HG2 ILE 19 7.002 1.038 -0.583 176 3HG2 ILE 19 3HG2 ILE 19 8.478 0.080 -0.452 177 1HD1 ILE 19 1HD1 ILE 19 9.504 3.498 -0.020 178 2HD1 ILE 19 2HD1 ILE 19 9.551 1.736 -0.013 179 3HD1 ILE 19 3HD1 ILE 19 8.018 2.577 0.213 180 H LEU 20 H LEU 20 10.064 -1.333 -1.063 181 HA LEU 20 HA LEU 20 11.894 0.278 0.542 182 1HB LEU 20 2HB LEU 20 11.086 -2.640 0.598 183 2HB LEU 20 1HB LEU 20 12.280 -1.973 1.707 184 HG LEU 20 HG LEU 20 9.428 -0.968 1.422 185 1HD1 LEU 20 1HD1 LEU 20 10.716 -2.592 3.638 186 2HD1 LEU 20 2HD1 LEU 20 9.640 -3.262 2.411 187 3HD1 LEU 20 3HD1 LEU 20 9.032 -2.071 3.562 188 1HD2 LEU 20 1HD2 LEU 20 10.274 -0.051 3.806 189 2HD2 LEU 20 2HD2 LEU 20 10.501 0.869 2.317 190 3HD2 LEU 20 3HD2 LEU 20 11.827 -0.094 2.971 191 H LYS 21 H LYS 21 12.152 -1.781 -2.214 192 HA LYS 21 HA LYS 21 14.927 -2.562 -1.829 193 1HB LYS 21 2HB LYS 21 13.109 -2.571 -4.258 194 2HB LYS 21 1HB LYS 21 14.778 -3.137 -4.301 195 1HG LYS 21 2HG LYS 21 12.917 -4.213 -2.204 196 2HG LYS 21 1HG LYS 21 12.833 -4.853 -3.845 197 1HD LYS 21 2HD LYS 21 15.297 -5.311 -3.740 198 2HD LYS 21 1HD LYS 21 15.282 -4.802 -2.052 199 1HE LYS 21 2HE LYS 21 13.441 -6.974 -3.065 200 2HE LYS 21 1HE LYS 21 15.076 -7.332 -2.510 201 1HZ LYS 21 1HZ LYS 21 14.178 -7.427 -0.490 202 2HZ LYS 21 2HZ LYS 21 12.731 -6.689 -0.988 203 3HZ LYS 21 3HZ LYS 21 14.069 -5.736 -0.556 204 H ALA 22 H ALA 22 16.762 -1.668 -2.920 205 HA ALA 22 HA ALA 22 16.792 1.190 -3.109 206 1HB ALA 22 1HB ALA 22 19.070 0.785 -4.196 207 2HB ALA 22 2HB ALA 22 18.739 -0.939 -4.021 208 3HB ALA 22 3HB ALA 22 18.850 0.087 -2.592 209 H ARG 23 H ARG 23 14.759 1.035 -4.645 210 HA ARG 23 HA ARG 23 14.361 0.388 -7.164 211 1HB ARG 23 2HB ARG 23 13.926 2.880 -7.790 212 2HB ARG 23 1HB ARG 23 13.023 2.226 -6.426 213 1HG ARG 23 2HG ARG 23 14.628 3.202 -4.848 214 2HG ARG 23 1HG ARG 23 15.613 3.805 -6.183 215 1HD ARG 23 2HD ARG 23 13.706 5.280 -6.866 216 2HD ARG 23 1HD ARG 23 12.751 4.647 -5.516 217 HE ARG 23 HE ARG 23 15.050 5.630 -4.266 218 1HH1 ARG 23 1HH2 ARG 23 12.760 6.848 -6.571 219 2HH1 ARG 23 2HH2 ARG 23 12.811 8.478 -5.982 220 1HH2 ARG 23 1HH1 ARG 23 15.125 7.791 -3.495 221 2HH2 ARG 23 2HH1 ARG 23 14.147 9.008 -4.248 222 H TRP 24 H TRP 24 16.468 -0.475 -7.902 223 HA TRP 24 HA TRP 24 18.667 1.288 -8.567 224 1HB TRP 24 2HB TRP 24 18.014 -1.552 -8.820 225 2HB TRP 24 1HB TRP 24 18.860 -0.940 -10.239 226 HD1 TRP 24 HD TRP 24 19.267 -0.969 -6.386 227 HE1 TRP 24 1HE TRP 24 21.794 -0.989 -5.862 228 HE3 TRP 24 3HE TRP 24 21.138 -0.598 -11.112 229 HZ2 TRP 24 2HZ TRP 24 24.286 -0.865 -7.276 230 HZ3 TRP 24 3HZ TRP 24 23.583 -0.551 -11.503 231 HH2 TRP 24 HH TRP 24 25.159 -0.683 -9.594 232 HA PRO 25 HA PRO 25 17.028 0.896 -13.111 233 1HB PRO 25 2HB PRO 25 14.518 -0.134 -13.460 234 2HB PRO 25 1HB PRO 25 15.986 -1.130 -13.468 235 1HG PRO 25 2HG PRO 25 14.047 -0.646 -11.245 236 2HG PRO 25 1HG PRO 25 14.774 -2.168 -11.792 237 1HD PRO 25 2HD PRO 25 15.732 -0.875 -9.629 238 2HD PRO 25 1HD PRO 25 16.820 -1.727 -10.747 239 H TRP 26 H TRP 26 13.790 1.007 -11.643 240 HA TRP 26 HA TRP 26 13.756 3.927 -11.572 241 1HB TRP 26 2HB TRP 26 12.157 2.414 -13.651 242 2HB TRP 26 1HB TRP 26 11.822 4.081 -13.184 243 HD1 TRP 26 HD TRP 26 14.205 1.968 -15.209 244 HE1 TRP 26 1HE TRP 26 15.863 3.508 -16.448 245 HE3 TRP 26 3HE TRP 26 13.110 6.420 -12.968 246 HZ2 TRP 26 2HZ TRP 26 16.622 6.269 -16.483 247 HZ3 TRP 26 3HZ TRP 26 14.312 8.486 -13.618 248 HH2 TRP 26 HH TRP 26 16.066 8.417 -15.370 249 H ALA 27 H ALA 27 11.668 4.725 -10.704 250 HA ALA 27 HA ALA 27 9.759 2.744 -9.695 251 1HB ALA 27 1HB ALA 27 10.186 3.626 -7.283 252 2HB ALA 27 2HB ALA 27 11.772 4.086 -7.903 253 3HB ALA 27 3HB ALA 27 11.270 2.396 -7.932 254 H GLU 28 H GLU 28 8.153 3.988 -10.680 255 HA GLU 28 HA GLU 28 7.311 6.381 -9.203 256 1HB GLU 28 2HB GLU 28 8.898 7.292 -10.904 257 2HB GLU 28 1HB GLU 28 7.910 6.571 -12.175 258 1HG GLU 28 2HG GLU 28 5.968 7.904 -11.425 259 2HG GLU 28 1HG GLU 28 6.961 8.637 -10.164 260 H LYS 29 H LYS 29 6.815 3.911 -11.636 261 HA LYS 29 HA LYS 29 4.015 4.622 -12.135 262 1HB LYS 29 2HB LYS 29 3.969 2.545 -13.452 263 2HB LYS 29 1HB LYS 29 5.406 3.483 -13.857 264 1HG LYS 29 2HG LYS 29 6.722 2.085 -12.252 265 2HG LYS 29 1HG LYS 29 5.284 1.101 -11.981 266 1HD LYS 29 2HD LYS 29 5.218 0.506 -14.371 267 2HD LYS 29 1HD LYS 29 6.631 1.518 -14.674 268 1HE LYS 29 2HE LYS 29 7.302 -0.842 -14.463 269 2HE LYS 29 1HE LYS 29 7.959 0.100 -13.126 270 1HZ LYS 29 1HZ LYS 29 6.444 -2.164 -12.911 271 2HZ LYS 29 2HZ LYS 29 5.349 -0.915 -12.550 272 3HZ LYS 29 3HZ LYS 29 6.790 -1.070 -11.662 273 H LEU 30 H LEU 30 5.789 2.733 -9.823 274 HA LEU 30 HA LEU 30 3.730 0.898 -9.061 275 1HB LEU 30 2HB LEU 30 5.012 0.488 -7.085 276 2HB LEU 30 1HB LEU 30 6.182 0.803 -8.362 277 HG LEU 30 HG LEU 30 5.758 3.329 -7.390 278 1HD1 LEU 30 1HD1 LEU 30 4.335 2.171 -5.573 279 2HD1 LEU 30 2HD1 LEU 30 5.580 3.292 -5.023 280 3HD1 LEU 30 3HD1 LEU 30 5.865 1.555 -4.945 281 1HD2 LEU 30 1HD2 LEU 30 7.915 2.979 -6.157 282 2HD2 LEU 30 2HD2 LEU 30 7.957 2.346 -7.803 283 3HD2 LEU 30 3HD2 LEU 30 7.755 1.245 -6.440 284 H ILE 31 H ILE 31 4.246 4.294 -8.394 285 HA ILE 31 HA ILE 31 2.579 4.559 -6.081 286 HB ILE 31 HB ILE 31 3.200 6.529 -8.307 287 1HG1 ILE 31 2HG1 ILE 31 4.270 6.385 -5.468 288 2HG1 ILE 31 1HG1 ILE 31 5.094 5.649 -6.842 289 1HG2 ILE 31 1HG2 ILE 31 2.485 8.206 -6.503 290 2HG2 ILE 31 2HG2 ILE 31 1.745 6.838 -5.672 291 3HG2 ILE 31 3HG2 ILE 31 1.189 7.298 -7.282 292 1HD1 ILE 31 1HD1 ILE 31 6.072 7.828 -6.502 293 2HD1 ILE 31 2HD1 ILE 31 4.483 8.588 -6.432 294 3HD1 ILE 31 3HD1 ILE 31 5.076 7.926 -7.955 295 H ALA 32 H ALA 32 1.851 4.777 -9.557 296 HA ALA 32 HA ALA 32 -0.912 5.440 -9.295 297 1HB ALA 32 1HB ALA 32 -1.078 4.404 -11.617 298 2HB ALA 32 2HB ALA 32 0.632 3.997 -11.463 299 3HB ALA 32 3HB ALA 32 0.122 5.685 -11.441 300 H GLU 33 H GLU 33 0.728 2.277 -9.528 301 HA GLU 33 HA GLU 33 -1.573 0.623 -9.607 302 1HB GLU 33 2HB GLU 33 0.956 0.001 -9.796 303 2HB GLU 33 1HB GLU 33 0.892 -0.132 -8.038 304 1HG GLU 33 2HG GLU 33 0.456 -2.329 -8.947 305 2HG GLU 33 1HG GLU 33 -1.067 -1.709 -8.310 306 H ARG 34 H ARG 34 0.160 2.013 -6.835 307 HA ARG 34 HA ARG 34 -1.317 0.751 -4.764 308 1HB ARG 34 2HB ARG 34 0.705 2.015 -4.255 309 2HB ARG 34 1HB ARG 34 -0.031 3.496 -4.867 310 1HG ARG 34 2HG ARG 34 -0.135 3.468 -2.397 311 2HG ARG 34 1HG ARG 34 -1.766 3.364 -3.086 312 1HD ARG 34 2HD ARG 34 -2.044 1.180 -2.192 313 2HD ARG 34 1HD ARG 34 -0.422 0.734 -2.663 314 HE ARG 34 HE ARG 34 -0.244 2.542 -0.486 315 1HH1 ARG 34 1HH2 ARG 34 -1.787 -0.212 -1.380 316 2HH1 ARG 34 2HH2 ARG 34 -1.827 -1.091 0.105 317 1HH2 ARG 34 1HH1 ARG 34 -0.097 1.430 1.761 318 2HH2 ARG 34 2HH1 ARG 34 -0.815 -0.147 1.932 319 H ASN 35 H ASN 35 -1.943 3.782 -6.538 320 HA ASN 35 HA ASN 35 -4.290 4.508 -5.102 321 1HB ASN 35 2HB ASN 35 -3.179 6.043 -6.571 322 2HB ASN 35 1HB ASN 35 -3.545 5.028 -7.975 323 1HD2 ASN 35 1HD2 ASN 35 -4.490 7.869 -6.873 324 2HD2 ASN 35 2HD2 ASN 35 -6.177 7.774 -7.130 325 H SER 36 H SER 36 -3.868 2.463 -7.960 326 HA SER 36 HA SER 36 -6.540 1.998 -8.647 327 1HB SER 36 2HB SER 36 -4.103 0.221 -8.683 328 2HB SER 36 1HB SER 36 -5.666 -0.378 -9.230 329 HG SER 36 HG SER 36 -4.375 1.975 -10.166 330 H LEU 37 H LEU 37 -4.938 -0.713 -7.071 331 HA LEU 37 HA LEU 37 -6.965 -2.020 -5.885 332 1HB LEU 37 2HB LEU 37 -4.484 -1.195 -4.340 333 2HB LEU 37 1HB LEU 37 -5.536 -2.545 -3.937 334 HG LEU 37 HG LEU 37 -3.811 -3.619 -5.067 335 1HD1 LEU 37 1HD1 LEU 37 -4.632 -4.351 -7.187 336 2HD1 LEU 37 2HD1 LEU 37 -5.543 -2.859 -7.424 337 3HD1 LEU 37 3HD1 LEU 37 -6.047 -4.013 -6.188 338 1HD2 LEU 37 1HD2 LEU 37 -2.830 -1.308 -5.736 339 2HD2 LEU 37 2HD2 LEU 37 -3.683 -1.560 -7.257 340 3HD2 LEU 37 3HD2 LEU 37 -2.441 -2.703 -6.744 341 H ALA 38 H ALA 38 -5.775 1.131 -4.827 342 HA ALA 38 HA ALA 38 -7.075 1.373 -2.345 343 1HB ALA 38 1HB ALA 38 -7.103 3.788 -4.069 344 2HB ALA 38 2HB ALA 38 -5.529 3.028 -3.840 345 3HB ALA 38 3HB ALA 38 -6.456 3.575 -2.443 346 H LYS 39 H LYS 39 -8.331 2.311 -5.550 347 HA LYS 39 HA LYS 39 -10.937 3.056 -4.516 348 1HB LYS 39 2HB LYS 39 -11.536 3.354 -6.845 349 2HB LYS 39 1HB LYS 39 -9.894 3.955 -6.630 350 1HG LYS 39 2HG LYS 39 -9.486 2.649 -8.472 351 2HG LYS 39 1HG LYS 39 -9.356 1.378 -7.257 352 1HD LYS 39 2HD LYS 39 -10.905 0.375 -8.640 353 2HD LYS 39 1HD LYS 39 -12.010 1.292 -7.617 354 1HE LYS 39 2HE LYS 39 -12.756 1.940 -9.720 355 2HE LYS 39 1HE LYS 39 -11.565 3.201 -9.404 356 1HZ LYS 39 1HZ LYS 39 -11.565 1.189 -11.414 357 2HZ LYS 39 2HZ LYS 39 -10.142 1.116 -10.490 358 3HZ LYS 39 3HZ LYS 39 -10.579 2.561 -11.270 359 H ASP 40 H ASP 40 -9.647 0.218 -6.236 360 HA ASP 40 HA ASP 40 -12.085 -1.212 -6.512 361 1HB ASP 40 2HB ASP 40 -9.190 -2.003 -6.364 362 2HB ASP 40 1HB ASP 40 -10.430 -3.257 -6.335 363 H VAL 41 H VAL 41 -9.740 -1.130 -3.840 364 HA VAL 41 HA VAL 41 -11.020 -3.096 -2.196 365 HB VAL 41 HB VAL 41 -9.277 -0.717 -1.505 366 1HG1 VAL 41 1HG1 VAL 41 -10.689 -2.707 0.199 367 2HG1 VAL 41 2HG1 VAL 41 -10.205 -1.051 0.566 368 3HG1 VAL 41 3HG1 VAL 41 -9.014 -2.351 0.620 369 1HG2 VAL 41 1HG2 VAL 41 -7.487 -2.245 -1.474 370 2HG2 VAL 41 2HG2 VAL 41 -8.433 -2.780 -2.863 371 3HG2 VAL 41 3HG2 VAL 41 -8.558 -3.638 -1.328 372 H ALA 42 H ALA 42 -11.376 0.441 -2.400 373 HA ALA 42 HA ALA 42 -13.157 0.883 -0.271 374 1HB ALA 42 1HB ALA 42 -13.900 2.312 -2.729 375 2HB ALA 42 2HB ALA 42 -12.173 2.389 -2.376 376 3HB ALA 42 3HB ALA 42 -13.345 2.950 -1.182 377 H GLU 43 H GLU 43 -13.831 -0.313 -3.550 378 HA GLU 43 HA GLU 43 -16.664 -0.350 -3.449 379 1HB GLU 43 2HB GLU 43 -14.558 -1.586 -5.036 380 2HB GLU 43 1HB GLU 43 -15.913 -2.690 -4.810 381 1HG GLU 43 2HG GLU 43 -16.250 0.182 -5.722 382 2HG GLU 43 1HG GLU 43 -16.095 -1.173 -6.839 383 H ILE 44 H ILE 44 -14.538 -3.195 -2.911 384 HA ILE 44 HA ILE 44 -16.426 -4.921 -1.779 385 HB ILE 44 HB ILE 44 -13.582 -4.661 -0.770 386 1HG1 ILE 44 2HG1 ILE 44 -13.446 -4.675 -3.192 387 2HG1 ILE 44 1HG1 ILE 44 -13.020 -6.284 -2.614 388 1HG2 ILE 44 1HG2 ILE 44 -13.888 -7.201 -0.662 389 2HG2 ILE 44 2HG2 ILE 44 -15.607 -6.897 -0.913 390 3HG2 ILE 44 3HG2 ILE 44 -14.796 -6.248 0.511 391 1HD1 ILE 44 1HD1 ILE 44 -14.505 -6.667 -4.424 392 2HD1 ILE 44 2HD1 ILE 44 -15.606 -5.390 -3.902 393 3HD1 ILE 44 3HD1 ILE 44 -15.490 -6.889 -2.980 394 H LYS 45 H LYS 45 -14.655 -2.265 -0.228 395 HA LYS 45 HA LYS 45 -15.362 -2.853 2.484 396 1HB LYS 45 2HB LYS 45 -14.798 -0.204 1.111 397 2HB LYS 45 1HB LYS 45 -14.942 -0.396 2.856 398 1HG LYS 45 2HG LYS 45 -13.117 -2.386 1.973 399 2HG LYS 45 1HG LYS 45 -12.656 -0.884 1.172 400 1HD LYS 45 2HD LYS 45 -12.796 0.251 3.435 401 2HD LYS 45 1HD LYS 45 -12.975 -1.353 4.144 402 1HE LYS 45 2HE LYS 45 -10.676 -1.098 4.287 403 2HE LYS 45 1HE LYS 45 -10.807 -1.877 2.710 404 1HZ LYS 45 1HZ LYS 45 -10.021 0.823 3.380 405 2HZ LYS 45 2HZ LYS 45 -11.105 0.712 2.077 406 3HZ LYS 45 3HZ LYS 45 -9.624 -0.120 2.027 407 H ASN 46 H ASN 46 -16.937 -0.852 -0.007 408 HA ASN 46 HA ASN 46 -19.137 0.048 1.588 409 1HB ASN 46 2HB ASN 46 -18.545 1.044 -0.594 410 2HB ASN 46 1HB ASN 46 -18.986 -0.461 -1.402 411 1HD2 ASN 46 1HD2 ASN 46 -20.935 -0.059 -2.453 412 2HD2 ASN 46 2HD2 ASN 46 -22.279 0.704 -1.748 413 H GLN 47 H GLN 47 -18.604 -2.870 -0.355 414 HA GLN 47 HA GLN 47 -21.321 -3.875 0.039 415 1HB GLN 47 2HB GLN 47 -20.712 -5.371 -1.550 416 2HB GLN 47 1HB GLN 47 -19.185 -4.501 -1.668 417 1HG GLN 47 2HG GLN 47 -18.284 -5.941 0.181 418 2HG GLN 47 1HG GLN 47 -19.778 -6.872 0.119 419 1HE2 GLN 47 1HE2 GLN 47 -17.881 -8.553 -0.428 420 2HE2 GLN 47 2HE2 GLN 47 -17.588 -8.783 -2.084 421 H LEU 48 H LEU 48 -18.480 -3.705 1.947 422 HA LEU 48 HA LEU 48 -19.209 -6.071 3.600 423 1HB LEU 48 2HB LEU 48 -16.890 -4.120 3.654 424 2HB LEU 48 1HB LEU 48 -17.172 -5.266 4.962 425 HG LEU 48 HG LEU 48 -16.952 -6.154 2.077 426 1HD1 LEU 48 1HD1 LEU 48 -14.789 -5.708 4.152 427 2HD1 LEU 48 2HD1 LEU 48 -14.863 -5.071 2.509 428 3HD1 LEU 48 3HD1 LEU 48 -14.576 -6.789 2.774 429 1HD2 LEU 48 1HD2 LEU 48 -16.836 -7.476 4.794 430 2HD2 LEU 48 2HD2 LEU 48 -16.166 -8.264 3.366 431 3HD2 LEU 48 3HD2 LEU 48 -17.884 -7.871 3.432 432 H GLY 49 H GLY 49 -20.112 -2.878 3.323 433 1HA GLY 49 2HA GLY 49 -21.261 -1.401 4.734 434 2HA GLY 49 1HA GLY 49 -21.707 -2.835 5.657 435 H ILE 50 H ILE 50 -18.638 -1.028 5.127 436 HA ILE 50 HA ILE 50 -18.522 -0.522 8.039 437 HB ILE 50 HB ILE 50 -16.019 -1.306 7.896 438 1HG1 ILE 50 2HG1 ILE 50 -15.807 -3.346 6.456 439 2HG1 ILE 50 1HG1 ILE 50 -17.352 -2.943 5.712 440 1HG2 ILE 50 1HG2 ILE 50 -18.323 -3.271 8.037 441 2HG2 ILE 50 2HG2 ILE 50 -17.768 -2.247 9.363 442 3HG2 ILE 50 3HG2 ILE 50 -16.716 -3.512 8.724 443 1HD1 ILE 50 1HD1 ILE 50 -15.046 -2.154 4.638 444 2HD1 ILE 50 2HD1 ILE 50 -15.238 -0.826 5.783 445 3HD1 ILE 50 3HD1 ILE 50 -16.479 -1.130 4.567 446 HA PRO 51 HA PRO 51 -16.717 3.336 7.001 447 1HB PRO 51 2HB PRO 51 -14.539 2.655 8.941 448 2HB PRO 51 1HB PRO 51 -15.557 4.107 8.855 449 1HG PRO 51 2HG PRO 51 -16.049 2.303 10.691 450 2HG PRO 51 1HG PRO 51 -17.391 3.021 9.783 451 1HD PRO 51 2HD PRO 51 -16.137 0.307 9.433 452 2HD PRO 51 1HD PRO 51 -17.854 0.765 9.391 453 H ILE 52 H ILE 52 -15.292 4.131 5.501 454 HA ILE 52 HA ILE 52 -13.594 2.356 4.010 455 HB ILE 52 HB ILE 52 -13.551 5.388 4.073 456 1HG1 ILE 52 2HG1 ILE 52 -15.144 3.552 2.257 457 2HG1 ILE 52 1HG1 ILE 52 -15.824 4.367 3.664 458 1HG2 ILE 52 1HG2 ILE 52 -11.645 4.615 2.889 459 2HG2 ILE 52 2HG2 ILE 52 -12.843 4.964 1.642 460 3HG2 ILE 52 3HG2 ILE 52 -12.546 3.298 2.137 461 1HD1 ILE 52 1HD1 ILE 52 -14.413 5.878 1.452 462 2HD1 ILE 52 2HD1 ILE 52 -15.461 6.523 2.714 463 3HD1 ILE 52 3HD1 ILE 52 -16.147 5.550 1.415 464 H ASN 53 H ASN 53 -12.913 4.906 6.398 465 HA ASN 53 HA ASN 53 -10.063 4.609 6.296 466 1HB ASN 53 2HB ASN 53 -11.238 6.545 7.304 467 2HB ASN 53 1HB ASN 53 -11.685 5.518 8.666 468 1HD2 ASN 53 1HD2 ASN 53 -10.214 5.719 10.367 469 2HD2 ASN 53 2HD2 ASN 53 -8.554 6.048 10.162 470 H ASP 54 H ASP 54 -8.793 3.061 7.166 471 HA ASP 54 HA ASP 54 -9.813 1.429 9.427 472 1HB ASP 54 2HB ASP 54 -10.285 0.353 7.134 473 2HB ASP 54 1HB ASP 54 -8.541 0.107 7.027 474 HA PRO 55 HA PRO 55 -5.417 2.893 10.030 475 1HB PRO 55 2HB PRO 55 -6.410 2.544 12.827 476 2HB PRO 55 1HB PRO 55 -5.495 3.889 12.115 477 1HG PRO 55 2HG PRO 55 -8.073 4.141 12.644 478 2HG PRO 55 1HG PRO 55 -7.370 4.847 11.177 479 1HD PRO 55 2HD PRO 55 -9.022 2.353 11.462 480 2HD PRO 55 1HD PRO 55 -9.039 3.571 10.166 481 H GLU 56 H GLU 56 -6.920 0.704 12.421 482 HA GLU 56 HA GLU 56 -5.037 -0.997 13.212 483 1HB GLU 56 2HB GLU 56 -6.728 -2.938 12.331 484 2HB GLU 56 1HB GLU 56 -7.064 -1.945 13.747 485 1HG GLU 56 2HG GLU 56 -8.407 -0.410 12.413 486 2HG GLU 56 1HG GLU 56 -7.967 -1.262 10.933 487 H ARG 57 H ARG 57 -6.530 -1.569 10.018 488 HA ARG 57 HA ARG 57 -4.668 -3.436 9.038 489 1HB ARG 57 2HB ARG 57 -6.649 -3.097 7.764 490 2HB ARG 57 1HB ARG 57 -6.403 -1.353 7.685 491 1HG ARG 57 2HG ARG 57 -5.866 -2.432 5.524 492 2HG ARG 57 1HG ARG 57 -4.443 -1.668 6.226 493 1HD ARG 57 2HD ARG 57 -3.616 -3.857 7.054 494 2HD ARG 57 1HD ARG 57 -5.077 -4.644 6.481 495 HE ARG 57 HE ARG 57 -4.043 -3.513 4.184 496 1HH1 ARG 57 1HH2 ARG 57 -2.375 -4.986 6.766 497 2HH1 ARG 57 2HH2 ARG 57 -1.551 -6.145 5.750 498 1HH2 ARG 57 1HH1 ARG 57 -2.800 -4.802 2.784 499 2HH2 ARG 57 2HH1 ARG 57 -1.799 -6.040 3.470 500 H GLU 58 H GLU 58 -4.633 0.124 8.774 501 HA GLU 58 HA GLU 58 -2.141 0.313 7.360 502 1HB GLU 58 2HB GLU 58 -3.490 2.304 9.220 503 2HB GLU 58 1HB GLU 58 -2.183 2.686 8.102 504 1HG GLU 58 2HG GLU 58 -3.596 2.064 6.197 505 2HG GLU 58 1HG GLU 58 -4.897 1.591 7.292 506 H LYS 59 H LYS 59 -2.976 0.240 10.808 507 HA LYS 59 HA LYS 59 -0.357 0.787 11.835 508 1HB LYS 59 2HB LYS 59 -2.621 -0.869 13.003 509 2HB LYS 59 1HB LYS 59 -1.187 -0.373 13.898 510 1HG LYS 59 2HG LYS 59 -2.915 1.669 12.503 511 2HG LYS 59 1HG LYS 59 -3.326 1.079 14.113 512 1HD LYS 59 2HD LYS 59 -1.085 1.745 14.930 513 2HD LYS 59 1HD LYS 59 -0.691 2.361 13.327 514 1HE LYS 59 2HE LYS 59 -1.402 4.262 14.590 515 2HE LYS 59 1HE LYS 59 -2.757 3.854 13.539 516 1HZ LYS 59 1HZ LYS 59 -4.027 3.275 15.272 517 2HZ LYS 59 2HZ LYS 59 -2.924 4.170 16.205 518 3HZ LYS 59 3HZ LYS 59 -2.762 2.483 16.079 519 H TYR 60 H TYR 60 -1.996 -2.233 10.924 520 HA TYR 60 HA TYR 60 -0.009 -4.093 11.715 521 1HB TYR 60 2HB TYR 60 -2.213 -4.804 10.955 522 2HB TYR 60 1HB TYR 60 -1.919 -4.136 9.355 523 HD1 TYR 60 1HD TYR 60 -1.524 -7.001 11.515 524 HD2 TYR 60 2HD TYR 60 -0.031 -5.137 7.942 525 HE1 TYR 60 1HE TYR 60 -0.480 -9.145 10.832 526 HE2 TYR 60 2HE TYR 60 1.008 -7.285 7.258 527 HH TYR 60 HH TYR 60 0.553 -10.243 9.176 528 H ILE 61 H ILE 61 -0.282 -2.132 8.767 529 HA ILE 61 HA ILE 61 1.902 -3.293 7.335 530 HB ILE 61 HB ILE 61 0.599 -0.575 7.313 531 1HG1 ILE 61 2HG1 ILE 61 -0.366 -2.768 6.257 532 2HG1 ILE 61 1HG1 ILE 61 -0.397 -1.281 5.313 533 1HG2 ILE 61 1HG2 ILE 61 2.030 -0.223 5.197 534 2HG2 ILE 61 2HG2 ILE 61 3.079 -1.479 5.856 535 3HG2 ILE 61 3HG2 ILE 61 2.815 0.015 6.757 536 1HD1 ILE 61 1HD1 ILE 61 0.512 -3.504 4.228 537 2HD1 ILE 61 2HD1 ILE 61 1.984 -3.094 5.107 538 3HD1 ILE 61 3HD1 ILE 61 1.332 -1.974 3.912 539 H TYR 62 H TYR 62 1.753 -0.587 9.650 540 HA TYR 62 HA TYR 62 4.373 0.379 9.527 541 1HB TYR 62 2HB TYR 62 2.395 0.075 11.765 542 2HB TYR 62 1HB TYR 62 4.036 0.584 12.150 543 HD1 TYR 62 1HD TYR 62 1.743 1.333 9.277 544 HD2 TYR 62 2HD TYR 62 4.064 2.904 12.535 545 HE1 TYR 62 1HE TYR 62 1.205 3.640 8.547 546 HE2 TYR 62 2HE TYR 62 3.519 5.213 11.805 547 HH TYR 62 HH TYR 62 1.527 5.803 8.901 548 H ASP 63 H ASP 63 3.169 -2.393 11.420 549 HA ASP 63 HA ASP 63 5.755 -3.169 12.437 550 1HB ASP 63 2HB ASP 63 3.423 -3.846 13.295 551 2HB ASP 63 1HB ASP 63 3.419 -5.039 11.997 552 H ARG 64 H ARG 64 3.972 -3.900 9.477 553 HA ARG 64 HA ARG 64 5.600 -6.136 8.629 554 1HB ARG 64 2HB ARG 64 3.324 -5.599 7.700 555 2HB ARG 64 1HB ARG 64 4.022 -4.186 6.917 556 1HG ARG 64 2HG ARG 64 5.709 -5.841 5.848 557 2HG ARG 64 1HG ARG 64 4.567 -7.097 6.313 558 1HD ARG 64 2HD ARG 64 3.882 -4.693 4.622 559 2HD ARG 64 1HD ARG 64 4.236 -6.280 3.983 560 HE ARG 64 HE ARG 64 1.661 -5.414 5.042 561 1HH1 ARG 64 1HH2 ARG 64 4.066 -7.834 4.877 562 2HH1 ARG 64 2HH2 ARG 64 2.977 -9.176 4.876 563 1HH2 ARG 64 1HH1 ARG 64 0.119 -7.227 5.060 564 2HH2 ARG 64 2HH1 ARG 64 0.740 -8.839 4.871 565 H ILE 65 H ILE 65 5.677 -2.643 7.880 566 HA ILE 65 HA ILE 65 7.854 -2.733 6.040 567 HB ILE 65 HB ILE 65 7.165 -0.493 7.964 568 1HG1 ILE 65 2HG1 ILE 65 5.166 -1.086 6.712 569 2HG1 ILE 65 1HG1 ILE 65 5.826 0.404 6.042 570 1HG2 ILE 65 1HG2 ILE 65 9.265 -0.015 6.978 571 2HG2 ILE 65 2HG2 ILE 65 8.102 0.869 5.990 572 3HG2 ILE 65 3HG2 ILE 65 8.765 -0.660 5.415 573 1HD1 ILE 65 1HD1 ILE 65 5.882 -2.370 4.869 574 2HD1 ILE 65 2HD1 ILE 65 7.082 -1.170 4.391 575 3HD1 ILE 65 3HD1 ILE 65 5.370 -0.856 4.119 576 H ARG 66 H ARG 66 7.803 -2.333 9.592 577 HA ARG 66 HA ARG 66 10.557 -1.832 10.008 578 1HB ARG 66 2HB ARG 66 8.526 -3.306 11.715 579 2HB ARG 66 1HB ARG 66 10.184 -3.037 12.249 580 1HG ARG 66 2HG ARG 66 9.879 -0.584 11.963 581 2HG ARG 66 1HG ARG 66 8.210 -0.850 11.465 582 1HD ARG 66 2HD ARG 66 9.267 -1.839 14.106 583 2HD ARG 66 1HD ARG 66 8.672 -0.218 13.960 584 HE ARG 66 HE ARG 66 7.059 -2.622 14.214 585 1HH1 ARG 66 1HH2 ARG 66 7.347 0.219 12.345 586 2HH1 ARG 66 2HH2 ARG 66 5.719 0.802 12.670 587 1HH2 ARG 66 1HH1 ARG 66 4.789 -2.113 14.367 588 2HH2 ARG 66 2HH1 ARG 66 4.258 -0.550 13.840 589 H LYS 67 H LYS 67 8.848 -4.950 9.712 590 HA LYS 67 HA LYS 67 11.115 -6.615 10.219 591 1HB LYS 67 2HB LYS 67 8.746 -7.407 10.199 592 2HB LYS 67 1HB LYS 67 8.720 -7.215 8.447 593 1HG LYS 67 2HG LYS 67 10.547 -8.865 8.234 594 2HG LYS 67 1HG LYS 67 10.597 -9.042 9.987 595 1HD LYS 67 2HD LYS 67 8.249 -9.840 9.972 596 2HD LYS 67 1HD LYS 67 8.212 -9.682 8.217 597 1HE LYS 67 2HE LYS 67 9.997 -11.355 8.002 598 2HE LYS 67 1HE LYS 67 10.113 -11.481 9.757 599 1HZ LYS 67 1HZ LYS 67 8.618 -13.098 8.295 600 2HZ LYS 67 2HZ LYS 67 7.471 -11.879 8.591 601 3HZ LYS 67 3HZ LYS 67 8.221 -12.681 9.889 602 H LEU 68 H LEU 68 9.721 -5.509 7.110 603 HA LEU 68 HA LEU 68 11.772 -6.681 5.473 604 1HB LEU 68 2HB LEU 68 9.950 -4.304 4.984 605 2HB LEU 68 1HB LEU 68 10.981 -5.022 3.752 606 HG LEU 68 HG LEU 68 8.825 -6.532 5.266 607 1HD1 LEU 68 1HD1 LEU 68 7.478 -6.306 3.268 608 2HD1 LEU 68 2HD1 LEU 68 8.792 -5.499 2.412 609 3HD1 LEU 68 3HD1 LEU 68 7.988 -4.691 3.758 610 1HD2 LEU 68 1HD2 LEU 68 10.768 -7.209 3.067 611 2HD2 LEU 68 2HD2 LEU 68 9.201 -8.018 3.127 612 3HD2 LEU 68 3HD2 LEU 68 10.320 -8.163 4.482 613 H CYS 69 H CYS 69 11.470 -3.600 7.168 614 HA CYS 69 HA CYS 69 13.580 -2.156 5.933 615 1HB CYS 69 2HB CYS 69 12.299 -2.088 8.651 616 2HB CYS 69 1HB CYS 69 13.751 -1.131 8.358 617 HG CYS 69 HG CYS 69 12.276 0.513 7.256 618 H LYS 70 H LYS 70 13.645 -4.860 8.116 619 HA LYS 70 HA LYS 70 16.539 -4.456 8.690 620 1HB LYS 70 2HB LYS 70 14.682 -6.651 9.664 621 2HB LYS 70 1HB LYS 70 16.289 -6.283 10.287 622 1HG LYS 70 2HG LYS 70 13.829 -4.516 10.457 623 2HG LYS 70 1HG LYS 70 14.632 -5.343 11.791 624 1HD LYS 70 2HD LYS 70 16.743 -4.005 11.048 625 2HD LYS 70 1HD LYS 70 15.594 -2.978 10.193 626 1HE LYS 70 2HE LYS 70 14.379 -2.553 12.286 627 2HE LYS 70 1HE LYS 70 15.484 -3.617 13.157 628 1HZ LYS 70 1HZ LYS 70 16.932 -1.967 13.356 629 2HZ LYS 70 2HZ LYS 70 15.794 -0.912 12.666 630 3HZ LYS 70 3HZ LYS 70 16.939 -1.689 11.682 631 H GLU 71 H GLU 71 14.311 -6.531 6.905 632 HA GLU 71 HA GLU 71 16.099 -8.670 6.302 633 1HB GLU 71 2HB GLU 71 13.752 -7.552 4.741 634 2HB GLU 71 1HB GLU 71 14.584 -9.047 4.317 635 1HG GLU 71 2HG GLU 71 13.305 -8.532 7.020 636 2HG GLU 71 1HG GLU 71 12.523 -9.416 5.710 637 H HIS 72 H HIS 72 15.156 -5.958 4.163 638 HA HIS 72 HA HIS 72 17.415 -6.507 2.397 639 1HB HIS 72 2HB HIS 72 16.601 -4.512 1.139 640 2HB HIS 72 1HB HIS 72 15.317 -5.682 1.444 641 HD1 HIS 72 1HD HIS 72 16.735 -2.585 3.188 642 HD2 HIS 72 2HD HIS 72 13.087 -4.500 2.536 643 HE1 HIS 72 1HE HIS 72 14.961 -1.145 4.285 644 HE2 HIS 72 2HE HIS 72 12.739 -2.301 3.895 645 H ASN 73 H ASN 73 17.283 -5.141 5.339 646 HA ASN 73 HA ASN 73 18.436 -3.281 6.327 647 1HB ASN 73 2HB ASN 73 20.845 -3.782 6.244 648 2HB ASN 73 1HB ASN 73 19.891 -5.228 6.613 649 1HD2 ASN 73 1HD2 ASN 73 22.405 -4.088 4.764 650 2HD2 ASN 73 2HD2 ASN 73 22.332 -5.216 3.479 651 H VAL 74 H VAL 74 17.439 -2.260 3.926 652 HA VAL 74 HA VAL 74 19.796 -0.858 2.725 653 HB VAL 74 HB VAL 74 17.109 -1.676 1.676 654 1HG1 VAL 74 1HG1 VAL 74 16.962 0.647 1.201 655 2HG1 VAL 74 2HG1 VAL 74 17.611 -0.070 -0.274 656 3HG1 VAL 74 3HG1 VAL 74 18.687 0.763 0.848 657 1HG2 VAL 74 1HG2 VAL 74 18.359 -2.680 0.002 658 2HG2 VAL 74 2HG2 VAL 74 19.533 -2.721 1.318 659 3HG2 VAL 74 3HG2 VAL 74 19.634 -1.464 0.085 660 H ASP 75 H ASP 75 16.943 -0.473 4.647 661 HA ASP 75 HA ASP 75 17.597 2.251 5.280 662 1HB ASP 75 2HB ASP 75 15.643 3.375 4.298 663 2HB ASP 75 1HB ASP 75 16.667 2.689 3.038 664 H GLU 76 H GLU 76 15.710 3.264 6.592 665 HA GLU 76 HA GLU 76 14.012 1.177 7.872 666 1HB GLU 76 2HB GLU 76 16.103 1.416 9.218 667 2HB GLU 76 1HB GLU 76 15.751 3.132 9.408 668 1HG GLU 76 2HG GLU 76 13.647 2.604 10.555 669 2HG GLU 76 1HG GLU 76 13.935 0.879 10.329 670 H ASN 77 H ASN 77 14.522 4.281 9.349 671 HA ASN 77 HA ASN 77 11.785 4.957 9.392 672 1HB ASN 77 2HB ASN 77 12.563 7.280 9.918 673 2HB ASN 77 1HB ASN 77 13.348 6.040 10.896 674 1HD2 ASN 77 1HD2 ASN 77 13.868 8.503 8.456 675 2HD2 ASN 77 2HD2 ASN 77 15.554 8.314 8.349 676 H ILE 78 H ILE 78 14.250 5.808 6.981 677 HA ILE 78 HA ILE 78 12.919 7.788 5.537 678 HB ILE 78 HB ILE 78 14.406 5.473 4.263 679 1HG1 ILE 78 2HG1 ILE 78 16.156 7.631 4.579 680 2HG1 ILE 78 1HG1 ILE 78 15.304 7.543 6.122 681 1HG2 ILE 78 1HG2 ILE 78 13.331 6.900 2.639 682 2HG2 ILE 78 2HG2 ILE 78 15.047 7.309 2.646 683 3HG2 ILE 78 3HG2 ILE 78 13.888 8.354 3.469 684 1HD1 ILE 78 1HD1 ILE 78 17.210 6.096 6.320 685 2HD1 ILE 78 2HD1 ILE 78 16.884 5.353 4.753 686 3HD1 ILE 78 3HD1 ILE 78 15.809 5.043 6.115 687 H GLY 79 H GLY 79 12.509 4.263 5.208 688 1HA GLY 79 2HA GLY 79 10.511 4.440 3.147 689 2HA GLY 79 1HA GLY 79 10.830 3.021 4.145 690 H ILE 80 H ILE 80 10.299 4.078 6.691 691 HA ILE 80 HA ILE 80 7.448 3.818 6.789 692 HB ILE 80 HB ILE 80 9.430 4.832 8.853 693 1HG1 ILE 80 2HG1 ILE 80 7.956 2.185 8.685 694 2HG1 ILE 80 1HG1 ILE 80 9.583 2.425 8.049 695 1HG2 ILE 80 1HG2 ILE 80 7.510 4.255 10.446 696 2HG2 ILE 80 2HG2 ILE 80 6.467 4.254 9.021 697 3HG2 ILE 80 3HG2 ILE 80 7.315 5.726 9.492 698 1HD1 ILE 80 1HD1 ILE 80 9.748 1.504 10.296 699 2HD1 ILE 80 2HD1 ILE 80 8.701 2.773 10.932 700 3HD1 ILE 80 3HD1 ILE 80 10.309 3.175 10.329 701 H LYS 81 H LYS 81 9.585 6.659 6.973 702 HA LYS 81 HA LYS 81 7.594 8.585 7.629 703 1HB LYS 81 2HB LYS 81 10.146 8.889 6.006 704 2HB LYS 81 1HB LYS 81 9.186 10.239 6.608 705 1HG LYS 81 2HG LYS 81 10.179 8.107 8.499 706 2HG LYS 81 1HG LYS 81 11.225 9.447 8.028 707 1HD LYS 81 2HD LYS 81 9.479 11.051 8.794 708 2HD LYS 81 1HD LYS 81 8.484 9.692 9.311 709 1HE LYS 81 2HE LYS 81 10.253 8.987 10.884 710 2HE LYS 81 1HE LYS 81 11.252 10.348 10.376 711 1HZ LYS 81 1HZ LYS 81 9.721 10.525 12.462 712 2HZ LYS 81 2HZ LYS 81 8.518 10.864 11.311 713 3HZ LYS 81 3HZ LYS 81 9.900 11.848 11.416 714 H ILE 82 H ILE 82 8.660 7.297 4.501 715 HA ILE 82 HA ILE 82 6.895 9.119 3.024 716 HB ILE 82 HB ILE 82 9.063 8.469 2.055 717 1HG1 ILE 82 2HG1 ILE 82 6.828 7.153 0.477 718 2HG1 ILE 82 1HG1 ILE 82 7.015 8.902 0.606 719 1HG2 ILE 82 1HG2 ILE 82 7.907 5.665 1.959 720 2HG2 ILE 82 2HG2 ILE 82 9.110 6.202 3.130 721 3HG2 ILE 82 3HG2 ILE 82 9.508 6.164 1.413 722 1HD1 ILE 82 1HD1 ILE 82 9.105 6.988 -0.474 723 2HD1 ILE 82 2HD1 ILE 82 9.280 8.738 -0.356 724 3HD1 ILE 82 3HD1 ILE 82 8.085 8.044 -1.451 725 H PHE 83 H PHE 83 6.933 5.731 3.996 726 HA PHE 83 HA PHE 83 4.904 4.665 2.386 727 1HB PHE 83 2HB PHE 83 6.124 4.032 4.962 728 2HB PHE 83 1HB PHE 83 4.421 3.574 4.918 729 HD1 PHE 83 1HD PHE 83 7.628 2.386 4.277 730 HD2 PHE 83 2HD PHE 83 3.724 2.524 2.486 731 HE1 PHE 83 1HE PHE 83 8.193 0.410 2.886 732 HE2 PHE 83 2HE PHE 83 4.290 0.547 1.099 733 HZ PHE 83 HZ PHE 83 6.523 -0.511 1.301 734 H GLN 84 H GLN 84 4.549 6.426 5.468 735 HA GLN 84 HA GLN 84 1.732 6.298 5.708 736 1HB GLN 84 2HB GLN 84 3.265 7.169 7.465 737 2HB GLN 84 1HB GLN 84 3.570 8.591 6.470 738 1HG GLN 84 2HG GLN 84 1.249 9.270 6.626 739 2HG GLN 84 1HG GLN 84 0.825 7.763 7.442 740 1HE2 GLN 84 1HE2 GLN 84 0.366 10.361 8.632 741 2HE2 GLN 84 2HE2 GLN 84 1.393 10.508 9.985 742 H ARG 85 H ARG 85 3.773 8.702 4.036 743 HA ARG 85 HA ARG 85 1.803 10.488 3.129 744 1HB ARG 85 2HB ARG 85 4.183 9.504 1.508 745 2HB ARG 85 1HB ARG 85 3.330 11.032 1.291 746 1HG ARG 85 2HG ARG 85 4.724 10.274 3.898 747 2HG ARG 85 1HG ARG 85 5.525 11.180 2.608 748 1HD ARG 85 2HD ARG 85 3.555 12.817 2.726 749 2HD ARG 85 1HD ARG 85 3.063 12.015 4.196 750 HE ARG 85 HE ARG 85 5.900 12.875 4.336 751 1HH1 ARG 85 1HH2 ARG 85 2.681 14.074 4.263 752 2HH1 ARG 85 2HH2 ARG 85 3.081 15.613 4.954 753 1HH2 ARG 85 1HH1 ARG 85 6.469 14.909 5.202 754 2HH2 ARG 85 2HH1 ARG 85 5.236 16.106 5.426 755 H LEU 86 H LEU 86 2.831 7.394 1.681 756 HA LEU 86 HA LEU 86 1.066 7.511 -0.594 757 1HB LEU 86 2HB LEU 86 2.570 5.315 0.818 758 2HB LEU 86 1HB LEU 86 1.390 4.915 -0.427 759 HG LEU 86 HG LEU 86 3.764 5.175 -1.271 760 1HD1 LEU 86 1HD1 LEU 86 2.119 7.326 -2.543 761 2HD1 LEU 86 2HD1 LEU 86 1.480 5.683 -2.536 762 3HD1 LEU 86 3HD1 LEU 86 3.033 6.021 -3.298 763 1HD2 LEU 86 1HD2 LEU 86 4.789 7.314 -1.318 764 2HD2 LEU 86 2HD2 LEU 86 4.119 7.201 0.310 765 3HD2 LEU 86 3HD2 LEU 86 3.280 8.139 -0.926 766 H ILE 87 H ILE 87 0.706 6.191 2.685 767 HA ILE 87 HA ILE 87 -1.794 4.862 2.251 768 HB ILE 87 HB ILE 87 -0.626 6.089 4.767 769 1HG1 ILE 87 2HG1 ILE 87 0.754 4.304 3.785 770 2HG1 ILE 87 1HG1 ILE 87 -0.004 3.740 5.274 771 1HG2 ILE 87 1HG2 ILE 87 -2.976 5.843 5.144 772 2HG2 ILE 87 2HG2 ILE 87 -2.217 4.429 5.877 773 3HG2 ILE 87 3HG2 ILE 87 -3.017 4.288 4.312 774 1HD1 ILE 87 1HD1 ILE 87 -0.484 1.951 3.890 775 2HD1 ILE 87 2HD1 ILE 87 -0.568 2.956 2.442 776 3HD1 ILE 87 3HD1 ILE 87 -1.906 2.950 3.590 777 H GLU 88 H GLU 88 -1.020 8.175 3.311 778 HA GLU 88 HA GLU 88 -3.657 9.070 3.854 779 1HB GLU 88 2HB GLU 88 -1.596 10.373 4.367 780 2HB GLU 88 1HB GLU 88 -1.351 10.634 2.641 781 1HG GLU 88 2HG GLU 88 -3.489 11.830 2.494 782 2HG GLU 88 1HG GLU 88 -3.783 11.543 4.210 783 H HIS 89 H HIS 89 -1.784 9.290 0.812 784 HA HIS 89 HA HIS 89 -3.939 10.347 -0.756 785 1HB HIS 89 2HB HIS 89 -2.316 10.476 -2.318 786 2HB HIS 89 1HB HIS 89 -1.226 9.745 -1.146 787 HD1 HIS 89 1HD HIS 89 -0.683 7.220 -1.420 788 HD2 HIS 89 2HD HIS 89 -3.277 8.702 -4.332 789 HE1 HIS 89 1HE HIS 89 -0.769 5.479 -3.262 790 HE2 HIS 89 2HE HIS 89 -2.344 6.371 -5.038 791 H ASN 90 H ASN 90 -3.158 7.147 0.329 792 HA ASN 90 HA ASN 90 -4.711 5.674 -1.615 793 1HB ASN 90 2HB ASN 90 -2.920 4.851 0.115 794 2HB ASN 90 1HB ASN 90 -4.287 4.780 1.224 795 1HD2 ASN 90 1HD2 ASN 90 -3.119 3.493 -1.910 796 2HD2 ASN 90 2HD2 ASN 90 -4.082 2.095 -1.868 797 H LYS 91 H LYS 91 -5.392 6.965 1.634 798 HA LYS 91 HA LYS 91 -8.147 6.047 1.657 799 1HB LYS 91 2HB LYS 91 -6.816 6.565 3.739 800 2HB LYS 91 1HB LYS 91 -6.885 8.270 3.299 801 1HG LYS 91 2HG LYS 91 -9.320 8.260 3.454 802 2HG LYS 91 1HG LYS 91 -9.324 6.522 3.751 803 1HD LYS 91 2HD LYS 91 -9.517 7.456 5.915 804 2HD LYS 91 1HD LYS 91 -7.804 7.063 5.781 805 1HE LYS 91 2HE LYS 91 -7.234 9.350 5.309 806 2HE LYS 91 1HE LYS 91 -8.927 9.796 5.111 807 1HZ LYS 91 1HZ LYS 91 -7.381 9.662 7.484 808 2HZ LYS 91 2HZ LYS 91 -8.736 8.644 7.610 809 3HZ LYS 91 3HZ LYS 91 -8.938 10.294 7.258 810 H ALA 92 H ALA 92 -6.583 9.213 1.154 811 HA ALA 92 HA ALA 92 -8.741 10.873 0.761 812 1HB ALA 92 1HB ALA 92 -6.432 11.646 0.535 813 2HB ALA 92 2HB ALA 92 -7.363 12.115 -0.888 814 3HB ALA 92 3HB ALA 92 -6.260 10.740 -0.967 815 H LEU 93 H LEU 93 -7.235 9.106 -1.974 816 HA LEU 93 HA LEU 93 -9.410 9.770 -3.728 817 1HB LEU 93 2HB LEU 93 -8.115 8.907 -5.379 818 2HB LEU 93 1HB LEU 93 -6.870 8.965 -4.142 819 HG LEU 93 HG LEU 93 -6.766 6.801 -5.160 820 1HD1 LEU 93 1HD1 LEU 93 -7.377 7.146 -2.409 821 2HD1 LEU 93 2HD1 LEU 93 -6.440 5.852 -3.157 822 3HD1 LEU 93 3HD1 LEU 93 -8.181 5.672 -2.945 823 1HD2 LEU 93 1HD2 LEU 93 -8.551 5.713 -5.984 824 2HD2 LEU 93 2HD2 LEU 93 -9.505 7.139 -5.571 825 3HD2 LEU 93 3HD2 LEU 93 -9.395 5.790 -4.440 826 H GLN 94 H GLN 94 -8.932 7.213 -1.486 827 HA GLN 94 HA GLN 94 -10.766 5.282 -2.535 828 1HB GLN 94 2HB GLN 94 -9.403 5.823 0.005 829 2HB GLN 94 1HB GLN 94 -11.010 5.123 0.212 830 1HG GLN 94 2HG GLN 94 -10.446 3.254 -1.228 831 2HG GLN 94 1HG GLN 94 -8.913 4.016 -1.651 832 1HE2 GLN 94 1HE2 GLN 94 -7.121 3.277 -0.484 833 2HE2 GLN 94 2HE2 GLN 94 -7.239 2.499 1.040 834 H LYS 95 H LYS 95 -11.220 7.835 -0.079 835 HA LYS 95 HA LYS 95 -14.058 7.503 0.149 836 1HB LYS 95 2HB LYS 95 -12.274 9.886 0.744 837 2HB LYS 95 1HB LYS 95 -13.986 9.821 1.153 838 1HG LYS 95 2HG LYS 95 -13.561 7.797 2.536 839 2HG LYS 95 1HG LYS 95 -11.841 7.923 2.164 840 1HD LYS 95 2HD LYS 95 -11.754 10.146 3.211 841 2HD LYS 95 1HD LYS 95 -13.483 10.070 3.550 842 1HE LYS 95 2HE LYS 95 -13.107 8.087 4.983 843 2HE LYS 95 1HE LYS 95 -11.379 8.172 4.646 844 1HZ LYS 95 1HZ LYS 95 -11.236 9.537 6.369 845 2HZ LYS 95 2HZ LYS 95 -12.924 9.661 6.515 846 3HZ LYS 95 3HZ LYS 95 -12.082 10.696 5.465 847 H GLN 96 H GLN 96 -12.077 9.725 -1.808 848 HA GLN 96 HA GLN 96 -14.273 11.162 -2.961 849 1HB GLN 96 2HB GLN 96 -11.485 10.635 -4.045 850 2HB GLN 96 1HB GLN 96 -12.610 11.823 -4.706 851 1HG GLN 96 2HG GLN 96 -11.612 11.814 -1.838 852 2HG GLN 96 1HG GLN 96 -10.943 12.822 -3.121 853 1HE2 GLN 96 1HE2 GLN 96 -13.052 13.887 -4.436 854 2HE2 GLN 96 2HE2 GLN 96 -14.101 14.713 -3.389 855 H TYR 97 H TYR 97 -12.560 8.219 -3.954 856 HA TYR 97 HA TYR 97 -13.798 7.880 -6.503 857 1HB TYR 97 2HB TYR 97 -11.885 6.545 -5.951 858 2HB TYR 97 1HB TYR 97 -12.669 5.912 -4.506 859 HD1 TYR 97 1HD TYR 97 -12.836 5.929 -8.233 860 HD2 TYR 97 2HD TYR 97 -14.061 3.999 -4.595 861 HE1 TYR 97 1HE TYR 97 -13.751 4.032 -9.544 862 HE2 TYR 97 2HE TYR 97 -14.978 2.105 -5.907 863 HH TYR 97 HH TYR 97 -15.854 1.769 -8.286 864 H LEU 98 H LEU 98 -14.656 6.401 -3.350 865 HA LEU 98 HA LEU 98 -17.037 5.118 -4.256 866 1HB LEU 98 2HB LEU 98 -16.263 6.140 -1.507 867 2HB LEU 98 1HB LEU 98 -17.693 5.162 -1.815 868 HG LEU 98 HG LEU 98 -14.840 4.308 -2.421 869 1HD1 LEU 98 1HD1 LEU 98 -14.988 4.237 -0.086 870 2HD1 LEU 98 2HD1 LEU 98 -15.532 2.620 -0.533 871 3HD1 LEU 98 3HD1 LEU 98 -16.711 3.860 -0.105 872 1HD2 LEU 98 1HD2 LEU 98 -16.130 3.035 -3.895 873 2HD2 LEU 98 2HD2 LEU 98 -17.548 3.072 -2.848 874 3HD2 LEU 98 3HD2 LEU 98 -16.186 2.025 -2.451 875 H GLU 99 H GLU 99 -16.500 8.362 -2.892 876 HA GLU 99 HA GLU 99 -19.253 9.125 -2.696 877 1HB GLU 99 2HB GLU 99 -17.351 10.371 -1.639 878 2HB GLU 99 1HB GLU 99 -16.858 10.903 -3.246 879 1HG GLU 99 2HG GLU 99 -18.992 12.051 -3.563 880 2HG GLU 99 1HG GLU 99 -19.565 11.474 -1.999 881 H GLU 100 H GLU 100 -16.923 9.247 -5.353 882 HA GLU 100 HA GLU 100 -18.695 10.801 -7.070 883 1HB GLU 100 2HB GLU 100 -16.906 10.969 -8.481 884 2HB GLU 100 1HB GLU 100 -16.014 10.448 -7.055 885 1HG GLU 100 2HG GLU 100 -15.235 8.979 -8.699 886 2HG GLU 100 1HG GLU 100 -16.511 8.035 -7.930 887 H THR 101 H THR 101 -18.573 7.549 -6.167 888 HA THR 101 HA THR 101 -19.683 6.573 -8.737 889 HB THR 101 HB THR 101 -19.797 4.378 -7.338 890 HG1 THR 101 1HG THR 101 -19.508 5.428 -5.336 891 1HG2 THR 101 1HG2 THR 101 -17.318 4.041 -7.658 892 2HG2 THR 101 2HG2 THR 101 -17.199 5.753 -8.066 893 3HG2 THR 101 3HG2 THR 101 -18.152 4.669 -9.079 894 H LEU 102 H LEU 102 -20.695 7.618 -5.581 895 HA LEU 102 HA LEU 102 -23.408 6.445 -5.948 896 1HB LEU 102 2HB LEU 102 -23.778 7.487 -3.638 897 2HB LEU 102 1HB LEU 102 -22.606 6.175 -3.704 898 HG LEU 102 HG LEU 102 -20.929 8.236 -4.125 899 1HD1 LEU 102 1HD1 LEU 102 -23.225 9.359 -2.484 900 2HD1 LEU 102 2HD1 LEU 102 -22.688 9.936 -4.061 901 3HD1 LEU 102 3HD1 LEU 102 -21.645 10.126 -2.652 902 1HD2 LEU 102 1HD2 LEU 102 -20.919 8.335 -1.444 903 2HD2 LEU 102 2HD2 LEU 102 -20.345 6.913 -2.314 904 3HD2 LEU 102 3HD2 LEU 102 -21.974 6.937 -1.641 905 H GLU 103 H GLU 103 -21.636 9.349 -6.371 906 HA GLU 103 HA GLU 103 -23.779 11.269 -6.063 907 1HB GLU 103 2HB GLU 103 -21.057 11.315 -7.343 908 2HB GLU 103 1HB GLU 103 -22.186 12.636 -7.635 909 1HG GLU 103 2HG GLU 103 -22.328 13.133 -5.286 910 2HG GLU 103 1HG GLU 103 -21.417 11.679 -4.870 911 H HIS 104 H HIS 104 -22.152 9.915 -8.903 912 HA HIS 104 HA HIS 104 -24.655 9.791 -10.427 913 1HB HIS 104 2HB HIS 104 -23.938 11.268 -12.214 914 2HB HIS 104 1HB HIS 104 -24.088 12.171 -10.711 915 HD1 HIS 104 1HD HIS 104 -21.925 13.014 -9.612 916 HD2 HIS 104 2HD HIS 104 -21.298 11.028 -13.225 917 HE1 HIS 104 1HE HIS 104 -19.576 13.599 -10.354 918 HE2 HIS 104 2HE HIS 104 -19.181 12.398 -12.554 919 H2 TSA 501 1H2 TSA 501 -4.039 -0.207 4.646 920 H3 TSA 501 1H3 TSA 501 -6.172 -0.236 5.912 921 H4 TSA 501 4H TSA 501 -8.206 0.761 4.873 922 HO5 TSA 501 HO5 TSA 501 -7.089 1.997 6.452 923 H5 TSA 501 5H TSA 501 -7.788 2.755 3.212 924 1H6 TSA 501 1H6 TSA 501 -5.670 2.616 1.891 925 2H6 TSA 501 2H6 TSA 501 -5.247 2.826 3.529 926 H8 TSA 501 8H TSA 501 -7.508 -0.483 0.853 927 1H9 TSA 501 1H9 TSA 501 -5.115 -1.036 1.673 928 2H9 TSA 501 2H9 TSA 501 -5.324 0.303 0.705 Start of MODEL 10 1 1H MET 1 1HT MET 1 -13.289 -15.723 4.018 2 2H MET 1 2HT MET 1 -14.325 -14.394 4.245 3 3H MET 1 3HT MET 1 -13.885 -15.368 5.566 4 HA MET 1 HA MET 1 -12.535 -13.521 5.833 5 1HB MET 1 2HB MET 1 -10.995 -15.534 4.157 6 2HB MET 1 1HB MET 1 -10.261 -14.306 5.189 7 1HG MET 1 2HG MET 1 -12.140 -16.491 6.153 8 2HG MET 1 1HG MET 1 -10.385 -16.520 6.324 9 1HE MET 1 1HE MET 1 -9.054 -14.850 7.233 10 2HE MET 1 2HE MET 1 -9.379 -14.021 8.753 11 3HE MET 1 3HE MET 1 -9.759 -13.228 7.226 12 H ILE 2 H ILE 2 -14.128 -13.301 3.238 13 HA ILE 2 HA ILE 2 -14.076 -12.037 1.247 14 HB ILE 2 HB ILE 2 -12.059 -10.298 2.660 15 1HG1 ILE 2 2HG1 ILE 2 -13.639 -10.927 4.404 16 2HG1 ILE 2 1HG1 ILE 2 -14.005 -9.282 3.881 17 1HG2 ILE 2 1HG2 ILE 2 -14.499 -9.760 0.942 18 2HG2 ILE 2 2HG2 ILE 2 -12.817 -9.612 0.435 19 3HG2 ILE 2 3HG2 ILE 2 -13.470 -8.514 1.650 20 1HD1 ILE 2 1HD1 ILE 2 -15.714 -10.289 2.290 21 2HD1 ILE 2 2HD1 ILE 2 -16.103 -10.442 4.003 22 3HD1 ILE 2 3HD1 ILE 2 -15.459 -11.825 3.118 23 H GLU 3 H GLU 3 -12.944 -13.647 -0.025 24 HA GLU 3 HA GLU 3 -10.060 -13.801 -0.124 25 1HB GLU 3 2HB GLU 3 -12.169 -14.634 -2.141 26 2HB GLU 3 1HB GLU 3 -10.460 -15.058 -2.244 27 1HG GLU 3 2HG GLU 3 -12.258 -15.756 0.095 28 2HG GLU 3 1HG GLU 3 -11.843 -16.867 -1.211 29 H LYS 4 H LYS 4 -12.493 -12.047 -2.022 30 HA LYS 4 HA LYS 4 -10.817 -11.042 -4.069 31 1HB LYS 4 2HB LYS 4 -13.254 -9.831 -2.724 32 2HB LYS 4 1HB LYS 4 -12.496 -9.142 -4.160 33 1HG LYS 4 2HG LYS 4 -12.891 -11.205 -5.409 34 2HG LYS 4 1HG LYS 4 -13.555 -11.980 -3.970 35 1HD LYS 4 2HD LYS 4 -15.492 -11.275 -5.088 36 2HD LYS 4 1HD LYS 4 -15.213 -9.952 -3.957 37 1HE LYS 4 2HE LYS 4 -15.701 -9.133 -6.259 38 2HE LYS 4 1HE LYS 4 -14.099 -8.650 -5.703 39 1HZ LYS 4 1HZ LYS 4 -13.125 -9.841 -7.292 40 2HZ LYS 4 2HZ LYS 4 -14.656 -9.963 -8.020 41 3HZ LYS 4 3HZ LYS 4 -14.096 -11.201 -7.002 42 H LEU 5 H LEU 5 -11.577 -9.612 -0.887 43 HA LEU 5 HA LEU 5 -9.908 -7.295 -1.168 44 1HB LEU 5 2HB LEU 5 -11.675 -7.491 0.538 45 2HB LEU 5 1HB LEU 5 -10.789 -8.798 1.316 46 HG LEU 5 HG LEU 5 -9.219 -6.326 0.920 47 1HD1 LEU 5 1HD1 LEU 5 -11.328 -5.263 1.454 48 2HD1 LEU 5 2HD1 LEU 5 -10.339 -5.251 2.913 49 3HD1 LEU 5 3HD1 LEU 5 -11.643 -6.426 2.741 50 1HD2 LEU 5 1HD2 LEU 5 -8.384 -6.910 3.088 51 2HD2 LEU 5 2HD2 LEU 5 -8.609 -8.444 2.245 52 3HD2 LEU 5 3HD2 LEU 5 -9.794 -7.910 3.438 53 H ALA 6 H ALA 6 -9.303 -10.564 0.039 54 HA ALA 6 HA ALA 6 -6.710 -10.087 1.140 55 1HB ALA 6 1HB ALA 6 -7.769 -12.121 1.737 56 2HB ALA 6 2HB ALA 6 -6.428 -12.603 0.696 57 3HB ALA 6 3HB ALA 6 -8.070 -12.553 0.054 58 H GLU 7 H GLU 7 -7.461 -11.723 -1.975 59 HA GLU 7 HA GLU 7 -4.851 -11.811 -2.976 60 1HB GLU 7 2HB GLU 7 -7.448 -11.370 -4.470 61 2HB GLU 7 1HB GLU 7 -5.913 -11.747 -5.255 62 1HG GLU 7 2HG GLU 7 -5.765 -13.853 -4.004 63 2HG GLU 7 1HG GLU 7 -7.265 -13.472 -3.158 64 H ILE 8 H ILE 8 -7.157 -9.107 -3.116 65 HA ILE 8 HA ILE 8 -5.608 -7.406 -4.808 66 HB ILE 8 HB ILE 8 -7.614 -6.784 -2.633 67 1HG1 ILE 8 2HG1 ILE 8 -7.864 -6.552 -5.643 68 2HG1 ILE 8 1HG1 ILE 8 -8.319 -8.008 -4.757 69 1HG2 ILE 8 1HG2 ILE 8 -6.550 -4.741 -2.731 70 2HG2 ILE 8 2HG2 ILE 8 -7.632 -4.557 -4.112 71 3HG2 ILE 8 3HG2 ILE 8 -5.947 -5.015 -4.365 72 1HD1 ILE 8 1HD1 ILE 8 -10.275 -6.534 -5.118 73 2HD1 ILE 8 2HD1 ILE 8 -9.446 -5.235 -4.262 74 3HD1 ILE 8 3HD1 ILE 8 -9.909 -6.704 -3.401 75 H ARG 9 H ARG 9 -5.739 -7.626 -1.238 76 HA ARG 9 HA ARG 9 -3.754 -5.583 -0.811 77 1HB ARG 9 2HB ARG 9 -4.734 -7.857 0.957 78 2HB ARG 9 1HB ARG 9 -3.628 -6.595 1.506 79 1HG ARG 9 2HG ARG 9 -5.426 -4.936 0.600 80 2HG ARG 9 1HG ARG 9 -6.517 -6.321 0.658 81 1HD ARG 9 2HD ARG 9 -5.846 -6.647 3.068 82 2HD ARG 9 1HD ARG 9 -4.942 -5.139 2.957 83 HE ARG 9 HE ARG 9 -7.517 -4.471 2.116 84 1HH1 ARG 9 1HH2 ARG 9 -6.118 -6.024 4.855 85 2HH1 ARG 9 2HH2 ARG 9 -7.137 -5.220 6.005 86 1HH2 ARG 9 1HH1 ARG 9 -8.906 -3.455 3.601 87 2HH2 ARG 9 2HH1 ARG 9 -8.709 -3.758 5.295 88 H LYS 10 H LYS 10 -3.570 -8.977 -1.608 89 HA LYS 10 HA LYS 10 -0.834 -9.412 -0.795 90 1HB LYS 10 2HB LYS 10 -2.463 -11.249 -1.342 91 2HB LYS 10 1HB LYS 10 -2.378 -10.774 -3.039 92 1HG LYS 10 2HG LYS 10 -0.082 -11.386 -3.207 93 2HG LYS 10 1HG LYS 10 0.103 -11.468 -1.454 94 1HD LYS 10 2HD LYS 10 -0.067 -13.726 -2.529 95 2HD LYS 10 1HD LYS 10 -1.337 -13.426 -1.342 96 1HE LYS 10 2HE LYS 10 -2.979 -13.104 -2.996 97 2HE LYS 10 1HE LYS 10 -1.784 -12.790 -4.254 98 1HZ LYS 10 1HZ LYS 10 -2.806 -15.306 -3.262 99 2HZ LYS 10 2HZ LYS 10 -1.120 -15.265 -3.470 100 3HZ LYS 10 3HZ LYS 10 -2.149 -14.921 -4.778 101 H LYS 11 H LYS 11 -2.401 -8.069 -3.660 102 HA LYS 11 HA LYS 11 -0.093 -7.973 -5.360 103 1HB LYS 11 2HB LYS 11 -2.445 -6.044 -5.249 104 2HB LYS 11 1HB LYS 11 -1.315 -6.212 -6.591 105 1HG LYS 11 2HG LYS 11 -2.023 -8.682 -6.668 106 2HG LYS 11 1HG LYS 11 -3.357 -8.214 -5.615 107 1HD LYS 11 2HD LYS 11 -4.277 -8.016 -7.779 108 2HD LYS 11 1HD LYS 11 -3.817 -6.361 -7.378 109 1HE LYS 11 2HE LYS 11 -1.887 -6.442 -8.745 110 2HE LYS 11 1HE LYS 11 -1.922 -8.204 -8.833 111 1HZ LYS 11 1HZ LYS 11 -4.166 -6.606 -9.885 112 2HZ LYS 11 2HZ LYS 11 -3.690 -8.184 -10.299 113 3HZ LYS 11 3HZ LYS 11 -2.775 -6.854 -10.825 114 H ILE 12 H ILE 12 -1.441 -5.683 -2.991 115 HA ILE 12 HA ILE 12 0.427 -3.580 -3.318 116 HB ILE 12 HB ILE 12 -1.213 -4.580 -1.003 117 1HG1 ILE 12 2HG1 ILE 12 -2.186 -2.293 -1.209 118 2HG1 ILE 12 1HG1 ILE 12 -1.078 -1.963 -2.541 119 1HG2 ILE 12 1HG2 ILE 12 0.692 -3.876 0.200 120 2HG2 ILE 12 2HG2 ILE 12 -0.345 -2.449 0.190 121 3HG2 ILE 12 3HG2 ILE 12 1.021 -2.554 -0.920 122 1HD1 ILE 12 1HD1 ILE 12 -2.910 -4.356 -2.599 123 2HD1 ILE 12 2HD1 ILE 12 -2.116 -3.547 -3.949 124 3HD1 ILE 12 3HD1 ILE 12 -3.470 -2.769 -3.129 125 H ASP 13 H ASP 13 0.612 -6.602 -1.502 126 HA ASP 13 HA ASP 13 3.011 -6.144 -0.068 127 1HB ASP 13 2HB ASP 13 1.405 -8.150 0.074 128 2HB ASP 13 1HB ASP 13 2.264 -8.800 -1.320 129 H GLU 14 H GLU 14 2.486 -7.310 -3.389 130 HA GLU 14 HA GLU 14 5.258 -7.760 -3.996 131 1HB GLU 14 2HB GLU 14 2.917 -7.078 -5.803 132 2HB GLU 14 1HB GLU 14 4.498 -7.602 -6.379 133 1HG GLU 14 2HG GLU 14 2.733 -9.209 -4.506 134 2HG GLU 14 1HG GLU 14 2.858 -9.479 -6.244 135 H ILE 15 H ILE 15 3.199 -4.919 -3.983 136 HA ILE 15 HA ILE 15 5.139 -3.241 -5.403 137 HB ILE 15 HB ILE 15 2.840 -2.245 -3.709 138 1HG1 ILE 15 2HG1 ILE 15 1.814 -3.918 -5.086 139 2HG1 ILE 15 1HG1 ILE 15 1.515 -2.375 -5.889 140 1HG2 ILE 15 1HG2 ILE 15 4.186 -1.241 -6.236 141 2HG2 ILE 15 2HG2 ILE 15 4.404 -0.580 -4.615 142 3HG2 ILE 15 3HG2 ILE 15 2.840 -0.451 -5.417 143 1HD1 ILE 15 1HD1 ILE 15 3.657 -2.838 -7.232 144 2HD1 ILE 15 2HD1 ILE 15 2.257 -3.841 -7.618 145 3HD1 ILE 15 3HD1 ILE 15 3.555 -4.487 -6.613 146 H ASP 16 H ASP 16 3.876 -3.349 -2.058 147 HA ASP 16 HA ASP 16 5.453 -1.432 -0.837 148 1HB ASP 16 2HB ASP 16 4.614 -4.168 0.163 149 2HB ASP 16 1HB ASP 16 5.393 -2.977 1.203 150 H ASN 17 H ASN 17 6.401 -4.844 -1.356 151 HA ASN 17 HA ASN 17 9.078 -4.509 -0.379 152 1HB ASN 17 2HB ASN 17 7.893 -6.529 -2.311 153 2HB ASN 17 1HB ASN 17 9.516 -6.636 -1.634 154 1HD2 ASN 17 1HD2 ASN 17 7.692 -8.700 -1.063 155 2HD2 ASN 17 2HD2 ASN 17 7.225 -8.611 0.574 156 H LYS 18 H LYS 18 7.645 -4.281 -3.614 157 HA LYS 18 HA LYS 18 10.043 -4.047 -5.119 158 1HB LYS 18 2HB LYS 18 7.755 -4.372 -6.072 159 2HB LYS 18 1HB LYS 18 7.383 -2.697 -5.671 160 1HG LYS 18 2HG LYS 18 9.208 -1.926 -7.134 161 2HG LYS 18 1HG LYS 18 9.615 -3.599 -7.521 162 1HD LYS 18 2HD LYS 18 7.349 -3.927 -8.468 163 2HD LYS 18 1HD LYS 18 6.961 -2.246 -8.105 164 1HE LYS 18 2HE LYS 18 8.748 -1.485 -9.605 165 2HE LYS 18 1HE LYS 18 9.205 -3.156 -9.934 166 1HZ LYS 18 1HZ LYS 18 7.228 -1.618 -11.190 167 2HZ LYS 18 2HZ LYS 18 6.457 -2.898 -10.380 168 3HZ LYS 18 3HZ LYS 18 7.678 -3.221 -11.516 169 H ILE 19 H ILE 19 8.073 -1.499 -3.553 170 HA ILE 19 HA ILE 19 9.727 0.662 -4.526 171 HB ILE 19 HB ILE 19 7.442 1.084 -3.816 172 1HG1 ILE 19 2HG1 ILE 19 9.575 2.667 -3.247 173 2HG1 ILE 19 1HG1 ILE 19 7.906 3.142 -2.934 174 1HG2 ILE 19 1HG2 ILE 19 8.440 0.051 -1.156 175 2HG2 ILE 19 2HG2 ILE 19 7.105 -0.571 -2.126 176 3HG2 ILE 19 3HG2 ILE 19 6.953 0.987 -1.313 177 1HD1 ILE 19 1HD1 ILE 19 8.051 2.549 -0.641 178 2HD1 ILE 19 2HD1 ILE 19 9.557 3.399 -0.982 179 3HD1 ILE 19 3HD1 ILE 19 9.541 1.638 -0.888 180 H LEU 20 H LEU 20 9.891 -1.445 -1.714 181 HA LEU 20 HA LEU 20 11.741 0.131 -0.177 182 1HB LEU 20 2HB LEU 20 11.078 -2.812 -0.282 183 2HB LEU 20 1HB LEU 20 12.397 -2.225 0.729 184 HG LEU 20 HG LEU 20 9.578 -1.120 0.875 185 1HD1 LEU 20 1HD1 LEU 20 9.291 -3.340 1.587 186 2HD1 LEU 20 2HD1 LEU 20 9.648 -2.495 3.094 187 3HD1 LEU 20 3HD1 LEU 20 10.909 -3.427 2.285 188 1HD2 LEU 20 1HD2 LEU 20 10.594 -0.589 3.254 189 2HD2 LEU 20 2HD2 LEU 20 10.974 0.460 1.888 190 3HD2 LEU 20 3HD2 LEU 20 12.136 -0.758 2.415 191 H LYS 21 H LYS 21 12.139 -2.212 -2.809 192 HA LYS 21 HA LYS 21 15.056 -2.214 -2.608 193 1HB LYS 21 2HB LYS 21 13.293 -3.151 -4.890 194 2HB LYS 21 1HB LYS 21 14.988 -3.564 -4.643 195 1HG LYS 21 2HG LYS 21 12.776 -4.235 -2.677 196 2HG LYS 21 1HG LYS 21 13.398 -5.359 -3.887 197 1HD LYS 21 2HD LYS 21 15.720 -4.887 -2.882 198 2HD LYS 21 1HD LYS 21 14.854 -4.168 -1.524 199 1HE LYS 21 2HE LYS 21 13.659 -6.267 -1.131 200 2HE LYS 21 1HE LYS 21 14.422 -6.991 -2.546 201 1HZ LYS 21 1HZ LYS 21 15.494 -7.568 -0.404 202 2HZ LYS 21 2HZ LYS 21 15.922 -5.934 -0.215 203 3HZ LYS 21 3HZ LYS 21 16.545 -6.834 -1.515 204 H ALA 22 H ALA 22 15.019 0.279 -2.660 205 HA ALA 22 HA ALA 22 14.352 1.696 -5.041 206 1HB ALA 22 1HB ALA 22 14.730 2.909 -2.982 207 2HB ALA 22 2HB ALA 22 15.949 3.434 -4.145 208 3HB ALA 22 3HB ALA 22 16.378 2.294 -2.870 209 H ARG 23 H ARG 23 17.371 0.112 -4.035 210 HA ARG 23 HA ARG 23 19.106 1.006 -6.044 211 1HB ARG 23 2HB ARG 23 18.855 -1.739 -4.771 212 2HB ARG 23 1HB ARG 23 20.180 -1.291 -5.843 213 1HG ARG 23 2HG ARG 23 20.816 0.545 -4.335 214 2HG ARG 23 1HG ARG 23 19.448 0.172 -3.285 215 1HD ARG 23 2HD ARG 23 20.402 -2.061 -2.818 216 2HD ARG 23 1HD ARG 23 21.771 -1.712 -3.880 217 HE ARG 23 HE ARG 23 21.792 0.368 -2.028 218 1HH1 ARG 23 1HH2 ARG 23 21.810 -3.080 -1.924 219 2HH1 ARG 23 2HH2 ARG 23 22.725 -3.159 -0.455 220 1HH2 ARG 23 1HH1 ARG 23 22.974 0.270 -0.083 221 2HH2 ARG 23 2HH1 ARG 23 23.377 -1.278 0.586 222 H TRP 24 H TRP 24 16.688 -1.610 -6.252 223 HA TRP 24 HA TRP 24 17.210 -2.649 -8.775 224 1HB TRP 24 2HB TRP 24 15.270 -3.202 -7.158 225 2HB TRP 24 1HB TRP 24 14.399 -1.904 -7.968 226 HD1 TRP 24 HD TRP 24 13.346 -2.412 -10.276 227 HE1 TRP 24 1HE TRP 24 13.299 -4.474 -11.826 228 HE3 TRP 24 3HE TRP 24 16.775 -5.365 -7.915 229 HZ2 TRP 24 2HZ TRP 24 14.556 -7.041 -12.033 230 HZ3 TRP 24 3HZ TRP 24 17.333 -7.608 -8.806 231 HH2 TRP 24 HH TRP 24 16.230 -8.450 -10.860 232 HA PRO 25 HA PRO 25 16.905 0.887 -11.432 233 1HB PRO 25 2HB PRO 25 16.893 -0.368 -13.837 234 2HB PRO 25 1HB PRO 25 18.344 -0.298 -12.816 235 1HG PRO 25 2HG PRO 25 16.359 -2.513 -13.123 236 2HG PRO 25 1HG PRO 25 18.131 -2.589 -13.112 237 1HD PRO 25 2HD PRO 25 16.656 -3.185 -10.905 238 2HD PRO 25 1HD PRO 25 18.261 -2.430 -10.792 239 H TRP 26 H TRP 26 15.386 1.944 -12.871 240 HA TRP 26 HA TRP 26 13.237 2.453 -13.665 241 1HB TRP 26 2HB TRP 26 13.724 0.265 -14.929 242 2HB TRP 26 1HB TRP 26 12.723 -0.525 -13.711 243 HD1 TRP 26 HD TRP 26 10.177 -0.386 -13.995 244 HE1 TRP 26 1HE TRP 26 8.595 0.828 -15.629 245 HE3 TRP 26 3HE TRP 26 13.537 2.603 -16.409 246 HZ2 TRP 26 2HZ TRP 26 8.740 2.809 -17.693 247 HZ3 TRP 26 3HZ TRP 26 12.792 4.143 -18.202 248 HH2 TRP 26 HH TRP 26 10.400 4.250 -18.846 249 H ALA 27 H ALA 27 13.851 1.674 -10.714 250 HA ALA 27 HA ALA 27 11.362 0.610 -9.687 251 1HB ALA 27 1HB ALA 27 13.647 2.103 -8.370 252 2HB ALA 27 2HB ALA 27 13.348 0.364 -8.346 253 3HB ALA 27 3HB ALA 27 12.268 1.456 -7.479 254 H GLU 28 H GLU 28 12.780 3.892 -9.478 255 HA GLU 28 HA GLU 28 11.724 5.967 -9.138 256 1HB GLU 28 2HB GLU 28 9.772 4.574 -10.994 257 2HB GLU 28 1HB GLU 28 9.688 6.289 -10.591 258 1HG GLU 28 2HG GLU 28 11.922 6.652 -11.514 259 2HG GLU 28 1HG GLU 28 12.093 4.926 -11.837 260 H LYS 29 H LYS 29 9.274 6.847 -8.657 261 HA LYS 29 HA LYS 29 8.484 5.395 -6.211 262 1HB LYS 29 2HB LYS 29 7.629 8.066 -7.368 263 2HB LYS 29 1HB LYS 29 6.994 7.399 -5.865 264 1HG LYS 29 2HG LYS 29 9.203 7.397 -4.862 265 2HG LYS 29 1HG LYS 29 9.940 7.883 -6.390 266 1HD LYS 29 2HD LYS 29 9.751 9.876 -5.066 267 2HD LYS 29 1HD LYS 29 8.487 9.969 -6.293 268 1HE LYS 29 2HE LYS 29 6.788 9.390 -4.748 269 2HE LYS 29 1HE LYS 29 7.948 8.793 -3.565 270 1HZ LYS 29 1HZ LYS 29 8.813 11.181 -3.576 271 2HZ LYS 29 2HZ LYS 29 7.355 10.868 -2.763 272 3HZ LYS 29 3HZ LYS 29 7.336 11.581 -4.306 273 H LEU 30 H LEU 30 6.534 4.313 -5.981 274 HA LEU 30 HA LEU 30 4.840 4.174 -8.439 275 1HB LEU 30 2HB LEU 30 5.082 2.106 -6.229 276 2HB LEU 30 1HB LEU 30 4.186 1.930 -7.737 277 HG LEU 30 HG LEU 30 7.188 2.334 -7.532 278 1HD1 LEU 30 1HD1 LEU 30 5.696 -0.133 -8.444 279 2HD1 LEU 30 2HD1 LEU 30 6.207 0.086 -6.770 280 3HD1 LEU 30 3HD1 LEU 30 7.410 0.020 -8.057 281 1HD2 LEU 30 1HD2 LEU 30 6.564 3.217 -9.622 282 2HD2 LEU 30 2HD2 LEU 30 5.238 2.070 -9.817 283 3HD2 LEU 30 3HD2 LEU 30 6.906 1.531 -10.008 284 H ILE 31 H ILE 31 2.788 4.941 -8.262 285 HA ILE 31 HA ILE 31 1.533 5.048 -5.562 286 HB ILE 31 HB ILE 31 1.750 7.373 -7.503 287 1HG1 ILE 31 2HG1 ILE 31 2.584 7.165 -4.594 288 2HG1 ILE 31 1HG1 ILE 31 3.689 6.885 -5.940 289 1HG2 ILE 31 1HG2 ILE 31 0.075 6.968 -5.014 290 2HG2 ILE 31 2HG2 ILE 31 -0.481 7.403 -6.630 291 3HG2 ILE 31 3HG2 ILE 31 0.437 8.564 -5.671 292 1HD1 ILE 31 1HD1 ILE 31 2.080 9.431 -5.652 293 2HD1 ILE 31 2HD1 ILE 31 3.443 9.135 -6.731 294 3HD1 ILE 31 3HD1 ILE 31 3.705 9.249 -4.989 295 H ALA 32 H ALA 32 1.201 5.146 -9.074 296 HA ALA 32 HA ALA 32 -1.639 5.257 -9.234 297 1HB ALA 32 1HB ALA 32 -1.360 4.325 -11.483 298 2HB ALA 32 2HB ALA 32 0.278 3.808 -11.084 299 3HB ALA 32 3HB ALA 32 -0.106 5.527 -11.176 300 H GLU 33 H GLU 33 0.521 2.394 -9.249 301 HA GLU 33 HA GLU 33 -1.469 0.403 -9.352 302 1HB GLU 33 2HB GLU 33 1.193 0.402 -7.895 303 2HB GLU 33 1HB GLU 33 0.210 -1.039 -8.149 304 1HG GLU 33 2HG GLU 33 1.693 -1.113 -9.962 305 2HG GLU 33 1HG GLU 33 0.275 -0.337 -10.666 306 H ARG 34 H ARG 34 -0.022 1.920 -6.444 307 HA ARG 34 HA ARG 34 -1.627 0.542 -4.536 308 1HB ARG 34 2HB ARG 34 -0.150 3.168 -4.544 309 2HB ARG 34 1HB ARG 34 -1.209 2.781 -3.194 310 1HG ARG 34 2HG ARG 34 0.609 0.580 -3.953 311 2HG ARG 34 1HG ARG 34 1.420 2.031 -3.360 312 1HD ARG 34 2HD ARG 34 0.650 0.258 -1.657 313 2HD ARG 34 1HD ARG 34 0.380 1.937 -1.293 314 HE ARG 34 HE ARG 34 -1.997 1.005 -2.565 315 1HH1 ARG 34 1HH2 ARG 34 0.026 0.292 0.115 316 2HH1 ARG 34 2HH2 ARG 34 -1.263 -0.312 1.099 317 1HH2 ARG 34 1HH1 ARG 34 -3.719 0.192 -1.303 318 2HH2 ARG 34 2HH1 ARG 34 -3.370 -0.367 0.303 319 H ASN 35 H ASN 35 -2.175 3.594 -6.278 320 HA ASN 35 HA ASN 35 -4.624 4.268 -4.989 321 1HB ASN 35 2HB ASN 35 -3.447 5.898 -6.396 322 2HB ASN 35 1HB ASN 35 -3.675 4.863 -7.810 323 1HD2 ASN 35 1HD2 ASN 35 -4.798 7.660 -6.848 324 2HD2 ASN 35 2HD2 ASN 35 -6.456 7.532 -7.213 325 H SER 36 H SER 36 -3.979 2.373 -7.950 326 HA SER 36 HA SER 36 -6.561 1.847 -8.842 327 1HB SER 36 2HB SER 36 -4.115 0.093 -8.673 328 2HB SER 36 1HB SER 36 -5.618 -0.522 -9.354 329 HG SER 36 HG SER 36 -3.801 1.247 -10.381 330 H LEU 37 H LEU 37 -5.086 -0.868 -7.153 331 HA LEU 37 HA LEU 37 -7.207 -2.177 -6.130 332 1HB LEU 37 2HB LEU 37 -4.880 -1.366 -4.365 333 2HB LEU 37 1HB LEU 37 -5.944 -2.742 -4.106 334 HG LEU 37 HG LEU 37 -4.126 -3.768 -5.113 335 1HD1 LEU 37 1HD1 LEU 37 -5.643 -2.871 -7.570 336 2HD1 LEU 37 2HD1 LEU 37 -6.221 -4.121 -6.470 337 3HD1 LEU 37 3HD1 LEU 37 -4.724 -4.362 -7.370 338 1HD2 LEU 37 1HD2 LEU 37 -2.582 -2.762 -6.544 339 2HD2 LEU 37 2HD2 LEU 37 -3.132 -1.389 -5.584 340 3HD2 LEU 37 3HD2 LEU 37 -3.776 -1.646 -7.205 341 H ALA 38 H ALA 38 -5.943 0.839 -4.721 342 HA ALA 38 HA ALA 38 -7.544 1.101 -2.460 343 1HB ALA 38 1HB ALA 38 -5.784 2.723 -3.688 344 2HB ALA 38 2HB ALA 38 -6.882 3.288 -2.427 345 3HB ALA 38 3HB ALA 38 -7.281 3.544 -4.126 346 H LYS 39 H LYS 39 -8.425 2.115 -5.772 347 HA LYS 39 HA LYS 39 -11.073 2.989 -5.040 348 1HB LYS 39 2HB LYS 39 -10.078 3.811 -7.082 349 2HB LYS 39 1HB LYS 39 -9.866 2.170 -7.692 350 1HG LYS 39 2HG LYS 39 -12.634 2.819 -6.921 351 2HG LYS 39 1HG LYS 39 -12.019 3.767 -8.275 352 1HD LYS 39 2HD LYS 39 -11.594 0.793 -8.219 353 2HD LYS 39 1HD LYS 39 -13.145 1.447 -8.746 354 1HE LYS 39 2HE LYS 39 -10.587 2.536 -9.893 355 2HE LYS 39 1HE LYS 39 -11.272 1.040 -10.530 356 1HZ LYS 39 1HZ LYS 39 -12.540 3.718 -10.434 357 2HZ LYS 39 2HZ LYS 39 -13.404 2.297 -10.782 358 3HZ LYS 39 3HZ LYS 39 -12.149 2.804 -11.808 359 H ASP 40 H ASP 40 -9.900 -0.018 -6.590 360 HA ASP 40 HA ASP 40 -12.438 -1.291 -6.775 361 1HB ASP 40 2HB ASP 40 -9.622 -2.376 -6.523 362 2HB ASP 40 1HB ASP 40 -11.021 -3.426 -6.744 363 H VAL 41 H VAL 41 -10.019 -1.274 -4.161 364 HA VAL 41 HA VAL 41 -11.358 -3.109 -2.434 365 HB VAL 41 HB VAL 41 -9.539 -0.761 -1.825 366 1HG1 VAL 41 1HG1 VAL 41 -10.697 -1.132 0.204 367 2HG1 VAL 41 2HG1 VAL 41 -9.230 -2.095 0.367 368 3HG1 VAL 41 3HG1 VAL 41 -10.754 -2.877 -0.049 369 1HG2 VAL 41 1HG2 VAL 41 -8.739 -2.832 -3.165 370 2HG2 VAL 41 2HG2 VAL 41 -8.906 -3.708 -1.645 371 3HG2 VAL 41 3HG2 VAL 41 -7.785 -2.352 -1.761 372 H ALA 42 H ALA 42 -11.583 0.422 -2.767 373 HA ALA 42 HA ALA 42 -13.267 1.067 -0.651 374 1HB ALA 42 1HB ALA 42 -12.517 2.266 -3.115 375 2HB ALA 42 2HB ALA 42 -13.284 3.045 -1.732 376 3HB ALA 42 3HB ALA 42 -14.276 2.360 -3.019 377 H GLU 43 H GLU 43 -14.258 -0.175 -3.847 378 HA GLU 43 HA GLU 43 -17.046 -0.264 -3.421 379 1HB GLU 43 2HB GLU 43 -15.933 -0.753 -5.597 380 2HB GLU 43 1HB GLU 43 -15.351 -2.281 -4.935 381 1HG GLU 43 2HG GLU 43 -17.670 -3.025 -4.578 382 2HG GLU 43 1HG GLU 43 -18.266 -1.487 -5.200 383 H ILE 44 H ILE 44 -14.818 -3.051 -3.097 384 HA ILE 44 HA ILE 44 -16.521 -4.853 -1.842 385 HB ILE 44 HB ILE 44 -13.583 -4.317 -1.475 386 1HG1 ILE 44 2HG1 ILE 44 -13.315 -6.372 -2.709 387 2HG1 ILE 44 1HG1 ILE 44 -15.031 -6.745 -2.561 388 1HG2 ILE 44 1HG2 ILE 44 -15.352 -6.199 0.054 389 2HG2 ILE 44 2HG2 ILE 44 -14.024 -5.198 0.643 390 3HG2 ILE 44 3HG2 ILE 44 -13.685 -6.654 -0.295 391 1HD1 ILE 44 1HD1 ILE 44 -13.987 -4.288 -3.987 392 2HD1 ILE 44 2HD1 ILE 44 -15.633 -4.919 -4.006 393 3HD1 ILE 44 3HD1 ILE 44 -14.339 -5.806 -4.813 394 H LYS 45 H LYS 45 -14.766 -2.144 -0.354 395 HA LYS 45 HA LYS 45 -15.328 -2.764 2.370 396 1HB LYS 45 2HB LYS 45 -14.988 -0.054 1.033 397 2HB LYS 45 1HB LYS 45 -14.973 -0.323 2.776 398 1HG LYS 45 2HG LYS 45 -13.119 -1.927 1.043 399 2HG LYS 45 1HG LYS 45 -12.698 -0.260 1.434 400 1HD LYS 45 2HD LYS 45 -13.166 -0.887 3.884 401 2HD LYS 45 1HD LYS 45 -13.138 -2.564 3.341 402 1HE LYS 45 2HE LYS 45 -10.917 -1.799 4.182 403 2HE LYS 45 1HE LYS 45 -10.864 -2.290 2.489 404 1HZ LYS 45 1HZ LYS 45 -9.858 -0.009 3.320 405 2HZ LYS 45 2HZ LYS 45 -11.452 0.514 3.056 406 3HZ LYS 45 3HZ LYS 45 -10.560 -0.174 1.784 407 H ASN 46 H ASN 46 -17.141 -0.809 0.010 408 HA ASN 46 HA ASN 46 -19.260 -0.021 1.748 409 1HB ASN 46 2HB ASN 46 -18.933 1.027 -0.431 410 2HB ASN 46 1HB ASN 46 -19.228 -0.509 -1.245 411 1HD2 ASN 46 1HD2 ASN 46 -20.957 1.270 1.383 412 2HD2 ASN 46 2HD2 ASN 46 -22.477 1.192 0.633 413 H GLN 47 H GLN 47 -18.748 -2.914 -0.224 414 HA GLN 47 HA GLN 47 -21.383 -4.011 0.360 415 1HB GLN 47 2HB GLN 47 -20.842 -5.528 -1.232 416 2HB GLN 47 1HB GLN 47 -19.396 -4.558 -1.505 417 1HG GLN 47 2HG GLN 47 -18.254 -5.903 0.297 418 2HG GLN 47 1HG GLN 47 -19.665 -6.959 0.317 419 1HE2 GLN 47 1HE2 GLN 47 -17.738 -8.512 -0.382 420 2HE2 GLN 47 2HE2 GLN 47 -17.511 -8.681 -2.055 421 H LEU 48 H LEU 48 -18.496 -3.711 2.106 422 HA LEU 48 HA LEU 48 -19.002 -6.127 3.760 423 1HB LEU 48 2HB LEU 48 -16.761 -4.083 3.705 424 2HB LEU 48 1HB LEU 48 -16.919 -5.272 4.997 425 HG LEU 48 HG LEU 48 -16.794 -6.019 2.063 426 1HD1 LEU 48 1HD1 LEU 48 -14.578 -6.053 4.138 427 2HD1 LEU 48 2HD1 LEU 48 -14.708 -4.879 2.828 428 3HD1 LEU 48 3HD1 LEU 48 -14.443 -6.584 2.461 429 1HD2 LEU 48 1HD2 LEU 48 -15.972 -8.199 3.314 430 2HD2 LEU 48 2HD2 LEU 48 -17.697 -7.857 3.186 431 3HD2 LEU 48 3HD2 LEU 48 -16.836 -7.497 4.682 432 H GLY 49 H GLY 49 -19.985 -2.941 3.588 433 1HA GLY 49 2HA GLY 49 -21.090 -1.521 5.084 434 2HA GLY 49 1HA GLY 49 -21.459 -2.977 6.003 435 H ILE 50 H ILE 50 -18.450 -1.097 5.352 436 HA ILE 50 HA ILE 50 -18.183 -0.655 8.264 437 HB ILE 50 HB ILE 50 -15.666 -1.409 7.926 438 1HG1 ILE 50 2HG1 ILE 50 -15.556 -3.436 6.486 439 2HG1 ILE 50 1HG1 ILE 50 -17.189 -3.097 5.912 440 1HG2 ILE 50 1HG2 ILE 50 -17.956 -3.359 8.306 441 2HG2 ILE 50 2HG2 ILE 50 -17.262 -2.333 9.562 442 3HG2 ILE 50 3HG2 ILE 50 -16.291 -3.613 8.832 443 1HD1 ILE 50 1HD1 ILE 50 -15.132 -0.927 5.723 444 2HD1 ILE 50 2HD1 ILE 50 -16.517 -1.247 4.679 445 3HD1 ILE 50 3HD1 ILE 50 -15.069 -2.247 4.556 446 HA PRO 51 HA PRO 51 -16.501 3.233 7.188 447 1HB PRO 51 2HB PRO 51 -14.255 3.362 8.817 448 2HB PRO 51 1HB PRO 51 -15.919 3.677 9.355 449 1HG PRO 51 2HG PRO 51 -14.328 1.145 9.524 450 2HG PRO 51 1HG PRO 51 -15.314 1.939 10.769 451 1HD PRO 51 2HD PRO 51 -16.338 -0.133 9.486 452 2HD PRO 51 1HD PRO 51 -17.356 1.303 9.731 453 H ILE 52 H ILE 52 -15.123 4.104 5.671 454 HA ILE 52 HA ILE 52 -13.470 2.371 4.090 455 HB ILE 52 HB ILE 52 -13.445 5.405 4.210 456 1HG1 ILE 52 2HG1 ILE 52 -15.080 3.577 2.427 457 2HG1 ILE 52 1HG1 ILE 52 -15.718 4.377 3.863 458 1HG2 ILE 52 1HG2 ILE 52 -12.607 3.411 2.082 459 2HG2 ILE 52 2HG2 ILE 52 -11.551 4.512 2.969 460 3HG2 ILE 52 3HG2 ILE 52 -12.728 5.150 1.820 461 1HD1 ILE 52 1HD1 ILE 52 -14.392 5.891 1.602 462 2HD1 ILE 52 2HD1 ILE 52 -15.362 6.550 2.920 463 3HD1 ILE 52 3HD1 ILE 52 -16.129 5.587 1.657 464 H ASN 53 H ASN 53 -12.722 4.822 6.563 465 HA ASN 53 HA ASN 53 -9.865 4.509 6.294 466 1HB ASN 53 2HB ASN 53 -11.045 6.518 7.328 467 2HB ASN 53 1HB ASN 53 -11.340 5.506 8.744 468 1HD2 ASN 53 1HD2 ASN 53 -9.752 5.700 10.315 469 2HD2 ASN 53 2HD2 ASN 53 -8.115 6.064 10.023 470 H ASP 54 H ASP 54 -8.534 3.036 7.254 471 HA ASP 54 HA ASP 54 -9.533 1.466 9.551 472 1HB ASP 54 2HB ASP 54 -10.150 0.314 7.350 473 2HB ASP 54 1HB ASP 54 -8.419 0.066 7.124 474 HA PRO 55 HA PRO 55 -5.084 2.837 9.904 475 1HB PRO 55 2HB PRO 55 -5.913 2.608 12.761 476 2HB PRO 55 1HB PRO 55 -5.060 3.933 11.942 477 1HG PRO 55 2HG PRO 55 -7.621 4.159 12.650 478 2HG PRO 55 1HG PRO 55 -7.004 4.875 11.151 479 1HD PRO 55 2HD PRO 55 -8.645 2.393 11.514 480 2HD PRO 55 1HD PRO 55 -8.691 3.598 10.206 481 H GLU 56 H GLU 56 -6.592 0.703 12.348 482 HA GLU 56 HA GLU 56 -4.674 -0.992 13.134 483 1HB GLU 56 2HB GLU 56 -7.270 -1.907 11.857 484 2HB GLU 56 1HB GLU 56 -6.248 -2.914 12.884 485 1HG GLU 56 2HG GLU 56 -7.820 -2.073 14.414 486 2HG GLU 56 1HG GLU 56 -6.471 -0.950 14.601 487 H ARG 57 H ARG 57 -6.311 -1.669 10.027 488 HA ARG 57 HA ARG 57 -4.458 -3.548 9.035 489 1HB ARG 57 2HB ARG 57 -6.515 -3.255 7.849 490 2HB ARG 57 1HB ARG 57 -6.225 -1.532 7.635 491 1HG ARG 57 2HG ARG 57 -5.808 -2.750 5.539 492 2HG ARG 57 1HG ARG 57 -4.320 -2.026 6.144 493 1HD ARG 57 2HD ARG 57 -3.587 -4.140 7.043 494 2HD ARG 57 1HD ARG 57 -5.138 -4.883 6.654 495 HE ARG 57 HE ARG 57 -4.314 -4.038 4.190 496 1HH1 ARG 57 1HH2 ARG 57 -2.836 -5.802 6.771 497 2HH1 ARG 57 2HH2 ARG 57 -1.931 -6.851 5.714 498 1HH2 ARG 57 1HH1 ARG 57 -3.115 -5.389 2.807 499 2HH2 ARG 57 2HH1 ARG 57 -2.106 -6.624 3.485 500 H GLU 58 H GLU 58 -4.480 -0.001 8.642 501 HA GLU 58 HA GLU 58 -2.077 0.128 7.076 502 1HB GLU 58 2HB GLU 58 -3.279 2.208 8.939 503 2HB GLU 58 1HB GLU 58 -2.065 2.521 7.696 504 1HG GLU 58 2HG GLU 58 -3.607 1.868 5.939 505 2HG GLU 58 1HG GLU 58 -4.801 1.341 7.126 506 H LYS 59 H LYS 59 -2.705 0.185 10.574 507 HA LYS 59 HA LYS 59 -0.039 0.805 11.418 508 1HB LYS 59 2HB LYS 59 -2.250 -0.796 12.752 509 2HB LYS 59 1HB LYS 59 -0.742 -0.370 13.557 510 1HG LYS 59 2HG LYS 59 -2.401 1.777 12.252 511 2HG LYS 59 1HG LYS 59 -2.827 1.190 13.858 512 1HD LYS 59 2HD LYS 59 -0.805 1.925 14.804 513 2HD LYS 59 1HD LYS 59 0.001 2.017 13.239 514 1HE LYS 59 2HE LYS 59 -2.376 3.766 13.851 515 2HE LYS 59 1HE LYS 59 -0.755 4.241 14.351 516 1HZ LYS 59 1HZ LYS 59 -1.929 4.410 11.798 517 2HZ LYS 59 2HZ LYS 59 -0.579 3.382 11.716 518 3HZ LYS 59 3HZ LYS 59 -0.410 4.967 12.304 519 H TYR 60 H TYR 60 -1.675 -2.247 10.659 520 HA TYR 60 HA TYR 60 0.354 -4.068 11.420 521 1HB TYR 60 2HB TYR 60 -1.868 -4.828 10.759 522 2HB TYR 60 1HB TYR 60 -1.632 -4.202 9.130 523 HD1 TYR 60 1HD TYR 60 -0.300 -5.392 7.502 524 HD2 TYR 60 2HD TYR 60 -0.578 -6.797 11.554 525 HE1 TYR 60 1HE TYR 60 0.767 -7.529 6.834 526 HE2 TYR 60 2HE TYR 60 0.484 -8.936 10.883 527 HH TYR 60 HH TYR 60 1.515 -10.043 9.244 528 H ILE 61 H ILE 61 -0.066 -2.190 8.441 529 HA ILE 61 HA ILE 61 2.077 -3.360 6.948 530 HB ILE 61 HB ILE 61 0.830 -0.601 6.886 531 1HG1 ILE 61 2HG1 ILE 61 -0.398 -2.801 6.164 532 2HG1 ILE 61 1HG1 ILE 61 -0.461 -1.396 5.100 533 1HG2 ILE 61 1HG2 ILE 61 1.988 -0.525 4.584 534 2HG2 ILE 61 2HG2 ILE 61 3.023 -1.811 5.204 535 3HG2 ILE 61 3HG2 ILE 61 2.992 -0.241 6.005 536 1HD1 ILE 61 1HD1 ILE 61 1.767 -3.377 4.768 537 2HD1 ILE 61 2HD1 ILE 61 1.032 -2.320 3.564 538 3HD1 ILE 61 3HD1 ILE 61 0.174 -3.759 4.117 539 H TYR 62 H TYR 62 1.976 -0.601 9.206 540 HA TYR 62 HA TYR 62 4.603 0.360 8.888 541 1HB TYR 62 2HB TYR 62 2.696 0.265 11.224 542 2HB TYR 62 1HB TYR 62 4.343 0.842 11.475 543 HD1 TYR 62 1HD TYR 62 1.889 1.230 8.644 544 HD2 TYR 62 2HD TYR 62 4.379 3.171 11.560 545 HE1 TYR 62 1HE TYR 62 1.249 3.446 7.723 546 HE2 TYR 62 2HE TYR 62 3.741 5.382 10.636 547 HH TYR 62 HH TYR 62 1.943 6.382 9.345 548 H ASP 63 H ASP 63 3.423 -2.261 10.995 549 HA ASP 63 HA ASP 63 6.031 -2.943 12.024 550 1HB ASP 63 2HB ASP 63 3.743 -3.534 13.031 551 2HB ASP 63 1HB ASP 63 3.652 -4.801 11.809 552 H ARG 64 H ARG 64 4.138 -3.933 9.221 553 HA ARG 64 HA ARG 64 5.730 -6.229 8.504 554 1HB ARG 64 2HB ARG 64 3.403 -5.741 7.636 555 2HB ARG 64 1HB ARG 64 4.099 -4.464 6.641 556 1HG ARG 64 2HG ARG 64 5.688 -6.284 5.730 557 2HG ARG 64 1HG ARG 64 4.585 -7.438 6.469 558 1HD ARG 64 2HD ARG 64 3.865 -5.395 4.359 559 2HD ARG 64 1HD ARG 64 3.937 -7.144 4.137 560 HE ARG 64 HE ARG 64 2.106 -6.586 6.251 561 1HH1 ARG 64 1HH2 ARG 64 2.513 -5.910 2.994 562 2HH1 ARG 64 2HH2 ARG 64 0.838 -5.650 2.671 563 1HH2 ARG 64 1HH1 ARG 64 -0.125 -6.291 5.945 564 2HH2 ARG 64 2HH1 ARG 64 -0.687 -5.868 4.355 565 H ILE 65 H ILE 65 5.739 -2.845 7.361 566 HA ILE 65 HA ILE 65 7.895 -3.160 5.511 567 HB ILE 65 HB ILE 65 6.983 -0.711 7.051 568 1HG1 ILE 65 2HG1 ILE 65 5.245 -1.632 5.585 569 2HG1 ILE 65 1HG1 ILE 65 5.874 -0.133 4.904 570 1HG2 ILE 65 1HG2 ILE 65 8.143 0.484 5.120 571 2HG2 ILE 65 2HG2 ILE 65 8.923 -1.057 4.761 572 3HG2 ILE 65 3HG2 ILE 65 9.206 -0.266 6.311 573 1HD1 ILE 65 1HD1 ILE 65 6.256 -2.950 3.963 574 2HD1 ILE 65 2HD1 ILE 65 7.533 -1.775 3.650 575 3HD1 ILE 65 3HD1 ILE 65 5.905 -1.498 3.029 576 H ARG 66 H ARG 66 7.879 -2.156 8.946 577 HA ARG 66 HA ARG 66 10.619 -1.527 9.212 578 1HB ARG 66 2HB ARG 66 8.647 -2.721 11.184 579 2HB ARG 66 1HB ARG 66 10.300 -2.324 11.637 580 1HG ARG 66 2HG ARG 66 9.936 0.013 10.961 581 2HG ARG 66 1HG ARG 66 8.282 -0.372 10.495 582 1HD ARG 66 2HD ARG 66 9.308 -0.894 13.276 583 2HD ARG 66 1HD ARG 66 8.617 0.655 12.826 584 HE ARG 66 HE ARG 66 6.812 -1.445 12.070 585 1HH1 ARG 66 1HH2 ARG 66 8.215 -0.155 14.857 586 2HH1 ARG 66 2HH2 ARG 66 6.947 -0.712 15.921 587 1HH2 ARG 66 1HH1 ARG 66 5.120 -2.167 13.366 588 2HH2 ARG 66 2HH1 ARG 66 5.198 -1.870 15.074 589 H LYS 67 H LYS 67 9.005 -4.690 9.272 590 HA LYS 67 HA LYS 67 11.287 -6.227 10.089 591 1HB LYS 67 2HB LYS 67 8.813 -6.946 8.494 592 2HB LYS 67 1HB LYS 67 10.017 -8.136 8.980 593 1HG LYS 67 2HG LYS 67 9.637 -7.627 11.336 594 2HG LYS 67 1HG LYS 67 8.529 -6.322 10.906 595 1HD LYS 67 2HD LYS 67 7.086 -8.128 11.394 596 2HD LYS 67 1HD LYS 67 7.198 -8.153 9.635 597 1HE LYS 67 2HE LYS 67 8.786 -9.957 9.677 598 2HE LYS 67 1HE LYS 67 8.992 -9.815 11.422 599 1HZ LYS 67 1HZ LYS 67 6.969 -11.194 9.933 600 2HZ LYS 67 2HZ LYS 67 6.310 -10.158 11.108 601 3HZ LYS 67 3HZ LYS 67 7.418 -11.365 11.559 602 H LEU 68 H LEU 68 9.878 -6.000 6.787 603 HA LEU 68 HA LEU 68 12.206 -7.083 5.502 604 1HB LEU 68 2HB LEU 68 10.009 -5.288 4.427 605 2HB LEU 68 1HB LEU 68 11.224 -6.072 3.421 606 HG LEU 68 HG LEU 68 9.263 -7.521 5.228 607 1HD1 LEU 68 1HD1 LEU 68 8.334 -6.345 3.156 608 2HD1 LEU 68 2HD1 LEU 68 8.063 -8.086 3.236 609 3HD1 LEU 68 3HD1 LEU 68 9.337 -7.439 2.201 610 1HD2 LEU 68 1HD2 LEU 68 11.053 -9.004 5.035 611 2HD2 LEU 68 2HD2 LEU 68 11.541 -8.368 3.464 612 3HD2 LEU 68 3HD2 LEU 68 10.132 -9.422 3.591 613 H CYS 69 H CYS 69 11.116 -3.736 6.068 614 HA CYS 69 HA CYS 69 13.222 -2.412 4.697 615 1HB CYS 69 2HB CYS 69 11.156 -1.311 5.597 616 2HB CYS 69 1HB CYS 69 11.826 -1.470 7.220 617 HG CYS 69 HG CYS 69 13.192 0.250 4.983 618 H LYS 70 H LYS 70 13.242 -4.193 7.643 619 HA LYS 70 HA LYS 70 15.794 -2.961 8.528 620 1HB LYS 70 2HB LYS 70 14.339 -3.357 10.359 621 2HB LYS 70 1HB LYS 70 13.886 -4.950 9.761 622 1HG LYS 70 2HG LYS 70 16.779 -4.527 10.315 623 2HG LYS 70 1HG LYS 70 15.714 -4.583 11.719 624 1HD LYS 70 2HD LYS 70 14.743 -6.728 10.736 625 2HD LYS 70 1HD LYS 70 16.092 -6.708 9.599 626 1HE LYS 70 2HE LYS 70 16.354 -6.696 12.623 627 2HE LYS 70 1HE LYS 70 16.605 -8.100 11.586 628 1HZ LYS 70 1HZ LYS 70 18.652 -7.427 11.151 629 2HZ LYS 70 2HZ LYS 70 18.459 -6.164 12.272 630 3HZ LYS 70 3HZ LYS 70 18.107 -5.909 10.630 631 H GLU 71 H GLU 71 14.490 -5.941 7.176 632 HA GLU 71 HA GLU 71 16.838 -7.559 7.550 633 1HB GLU 71 2HB GLU 71 14.541 -7.732 5.590 634 2HB GLU 71 1HB GLU 71 15.826 -8.936 5.672 635 1HG GLU 71 2HG GLU 71 14.113 -8.133 8.036 636 2HG GLU 71 1HG GLU 71 13.794 -9.535 7.016 637 H HIS 72 H HIS 72 15.731 -5.555 4.809 638 HA HIS 72 HA HIS 72 18.108 -6.257 3.240 639 1HB HIS 72 2HB HIS 72 16.050 -4.107 2.682 640 2HB HIS 72 1HB HIS 72 17.166 -4.837 1.530 641 HD1 HIS 72 1HD HIS 72 16.856 -7.622 1.397 642 HD2 HIS 72 2HD HIS 72 13.589 -5.365 2.676 643 HE1 HIS 72 1HE HIS 72 14.811 -9.091 1.109 644 HE2 HIS 72 2HE HIS 72 12.817 -7.727 1.883 645 H ASN 73 H ASN 73 17.862 -4.447 5.885 646 HA ASN 73 HA ASN 73 18.914 -2.487 6.691 647 1HB ASN 73 2HB ASN 73 20.751 -4.217 6.336 648 2HB ASN 73 1HB ASN 73 21.113 -3.382 4.819 649 1HD2 ASN 73 1HD2 ASN 73 23.236 -2.692 5.717 650 2HD2 ASN 73 2HD2 ASN 73 23.320 -1.427 6.856 651 H VAL 74 H VAL 74 17.353 -2.184 4.116 652 HA VAL 74 HA VAL 74 18.828 -0.363 2.429 653 HB VAL 74 HB VAL 74 15.873 -0.891 2.794 654 1HG1 VAL 74 1HG1 VAL 74 17.313 1.041 0.976 655 2HG1 VAL 74 2HG1 VAL 74 15.941 1.358 2.036 656 3HG1 VAL 74 3HG1 VAL 74 15.721 0.398 0.573 657 1HG2 VAL 74 1HG2 VAL 74 17.605 -1.425 0.382 658 2HG2 VAL 74 2HG2 VAL 74 16.062 -2.164 0.807 659 3HG2 VAL 74 3HG2 VAL 74 17.518 -2.577 1.714 660 H ASP 75 H ASP 75 16.350 0.164 4.961 661 HA ASP 75 HA ASP 75 17.643 2.596 5.857 662 1HB ASP 75 2HB ASP 75 15.230 2.777 4.065 663 2HB ASP 75 1HB ASP 75 15.544 4.015 5.282 664 H GLU 76 H GLU 76 15.560 3.873 7.118 665 HA GLU 76 HA GLU 76 14.071 1.769 8.608 666 1HB GLU 76 2HB GLU 76 16.181 2.268 9.853 667 2HB GLU 76 1HB GLU 76 15.687 3.959 9.951 668 1HG GLU 76 2HG GLU 76 15.028 2.899 12.017 669 2HG GLU 76 1HG GLU 76 13.562 3.179 11.077 670 H ASN 77 H ASN 77 14.377 5.011 9.824 671 HA ASN 77 HA ASN 77 11.583 5.497 9.846 672 1HB ASN 77 2HB ASN 77 12.239 7.896 10.234 673 2HB ASN 77 1HB ASN 77 13.025 6.747 11.315 674 1HD2 ASN 77 1HD2 ASN 77 13.588 9.172 8.893 675 2HD2 ASN 77 2HD2 ASN 77 15.275 8.991 8.806 676 H ILE 78 H ILE 78 14.036 6.450 7.440 677 HA ILE 78 HA ILE 78 12.490 8.218 5.899 678 HB ILE 78 HB ILE 78 14.352 6.124 4.748 679 1HG1 ILE 78 2HG1 ILE 78 15.673 8.602 5.132 680 2HG1 ILE 78 1HG1 ILE 78 14.874 8.222 6.658 681 1HG2 ILE 78 1HG2 ILE 78 14.783 7.949 3.094 682 2HG2 ILE 78 2HG2 ILE 78 13.527 8.910 3.877 683 3HG2 ILE 78 3HG2 ILE 78 13.108 7.394 3.078 684 1HD1 ILE 78 1HD1 ILE 78 17.125 7.233 6.599 685 2HD1 ILE 78 2HD1 ILE 78 16.715 6.368 5.118 686 3HD1 ILE 78 3HD1 ILE 78 15.896 5.970 6.628 687 H GLY 79 H GLY 79 12.549 4.661 5.765 688 1HA GLY 79 2HA GLY 79 10.772 4.390 3.547 689 2HA GLY 79 1HA GLY 79 11.052 3.153 4.773 690 H ILE 80 H ILE 80 10.080 4.276 7.061 691 HA ILE 80 HA ILE 80 7.252 3.968 6.775 692 HB ILE 80 HB ILE 80 8.995 5.046 8.985 693 1HG1 ILE 80 2HG1 ILE 80 7.962 2.967 10.095 694 2HG1 ILE 80 1HG1 ILE 80 7.390 2.533 8.484 695 1HG2 ILE 80 1HG2 ILE 80 5.994 4.995 8.758 696 2HG2 ILE 80 2HG2 ILE 80 7.033 6.281 9.374 697 3HG2 ILE 80 3HG2 ILE 80 6.773 4.821 10.330 698 1HD1 ILE 80 1HD1 ILE 80 10.291 3.169 9.069 699 2HD1 ILE 80 2HD1 ILE 80 9.623 2.413 7.622 700 3HD1 ILE 80 3HD1 ILE 80 9.638 1.533 9.151 701 H LYS 81 H LYS 81 9.296 6.864 6.910 702 HA LYS 81 HA LYS 81 7.232 8.802 7.206 703 1HB LYS 81 2HB LYS 81 9.664 9.292 7.384 704 2HB LYS 81 1HB LYS 81 9.809 9.084 5.639 705 1HG LYS 81 2HG LYS 81 8.219 10.934 5.282 706 2HG LYS 81 1HG LYS 81 8.045 11.124 7.026 707 1HD LYS 81 2HD LYS 81 10.446 11.648 7.216 708 2HD LYS 81 1HD LYS 81 10.627 11.467 5.471 709 1HE LYS 81 2HE LYS 81 9.018 13.310 5.111 710 2HE LYS 81 1HE LYS 81 8.838 13.490 6.857 711 1HZ LYS 81 1HZ LYS 81 10.748 14.601 7.006 712 2HZ LYS 81 2HZ LYS 81 10.667 14.776 5.318 713 3HZ LYS 81 3HZ LYS 81 11.576 13.514 6.002 714 H ILE 82 H ILE 82 8.564 7.290 4.265 715 HA ILE 82 HA ILE 82 6.834 8.906 2.525 716 HB ILE 82 HB ILE 82 9.062 8.273 1.761 717 1HG1 ILE 82 2HG1 ILE 82 7.035 6.660 0.193 718 2HG1 ILE 82 1HG1 ILE 82 7.080 8.423 0.156 719 1HG2 ILE 82 1HG2 ILE 82 8.041 5.421 1.969 720 2HG2 ILE 82 2HG2 ILE 82 9.228 6.158 3.044 721 3HG2 ILE 82 3HG2 ILE 82 9.614 5.910 1.342 722 1HD1 ILE 82 1HD1 ILE 82 9.309 8.427 -0.749 723 2HD1 ILE 82 2HD1 ILE 82 8.370 7.286 -1.712 724 3HD1 ILE 82 3HD1 ILE 82 9.483 6.693 -0.479 725 H PHE 83 H PHE 83 6.910 5.573 3.744 726 HA PHE 83 HA PHE 83 4.919 4.448 2.080 727 1HB PHE 83 2HB PHE 83 6.096 3.855 4.720 728 2HB PHE 83 1HB PHE 83 4.465 3.225 4.493 729 HD1 PHE 83 1HD PHE 83 4.062 2.142 2.061 730 HD2 PHE 83 2HD PHE 83 7.867 2.511 4.021 731 HE1 PHE 83 1HE PHE 83 4.966 0.314 0.650 732 HE2 PHE 83 2HE PHE 83 8.770 0.682 2.610 733 HZ PHE 83 HZ PHE 83 7.319 -0.416 0.924 734 H GLN 84 H GLN 84 4.570 6.286 5.108 735 HA GLN 84 HA GLN 84 1.757 6.049 5.404 736 1HB GLN 84 2HB GLN 84 3.327 7.033 7.090 737 2HB GLN 84 1HB GLN 84 3.488 8.454 6.062 738 1HG GLN 84 2HG GLN 84 1.090 8.909 6.261 739 2HG GLN 84 1HG GLN 84 0.872 7.441 7.218 740 1HE2 GLN 84 1HE2 GLN 84 0.834 7.850 9.434 741 2HE2 GLN 84 2HE2 GLN 84 1.655 9.123 10.208 742 H ARG 85 H ARG 85 3.692 8.444 3.604 743 HA ARG 85 HA ARG 85 1.637 10.106 2.665 744 1HB ARG 85 2HB ARG 85 4.083 9.149 1.135 745 2HB ARG 85 1HB ARG 85 3.106 10.549 0.710 746 1HG ARG 85 2HG ARG 85 4.567 10.220 3.359 747 2HG ARG 85 1HG ARG 85 5.192 11.142 1.987 748 1HD ARG 85 2HD ARG 85 2.858 12.373 2.140 749 2HD ARG 85 1HD ARG 85 2.825 11.717 3.755 750 HE ARG 85 HE ARG 85 5.353 12.973 3.402 751 1HH1 ARG 85 1HH2 ARG 85 1.976 13.707 3.436 752 2HH1 ARG 85 2HH2 ARG 85 2.197 15.380 3.834 753 1HH2 ARG 85 1HH1 ARG 85 5.649 15.194 3.987 754 2HH2 ARG 85 2HH1 ARG 85 4.257 16.211 4.137 755 H LEU 86 H LEU 86 2.714 6.955 1.405 756 HA LEU 86 HA LEU 86 0.986 6.888 -0.882 757 1HB LEU 86 2HB LEU 86 2.133 4.628 0.783 758 2HB LEU 86 1HB LEU 86 1.349 4.416 -0.780 759 HG LEU 86 HG LEU 86 3.785 6.153 -0.305 760 1HD1 LEU 86 1HD1 LEU 86 3.691 3.485 -1.725 761 2HD1 LEU 86 2HD1 LEU 86 4.097 3.631 -0.014 762 3HD1 LEU 86 3HD1 LEU 86 5.113 4.404 -1.230 763 1HD2 LEU 86 1HD2 LEU 86 2.810 7.004 -2.232 764 2HD2 LEU 86 2HD2 LEU 86 2.085 5.458 -2.675 765 3HD2 LEU 86 3HD2 LEU 86 3.812 5.726 -2.919 766 H ILE 87 H ILE 87 0.549 5.788 2.476 767 HA ILE 87 HA ILE 87 -2.004 4.545 2.078 768 HB ILE 87 HB ILE 87 -0.974 5.887 4.594 769 1HG1 ILE 87 2HG1 ILE 87 0.698 4.315 3.754 770 2HG1 ILE 87 1HG1 ILE 87 -0.108 3.614 5.156 771 1HG2 ILE 87 1HG2 ILE 87 -3.281 5.326 4.849 772 2HG2 ILE 87 2HG2 ILE 87 -2.380 4.030 5.637 773 3HG2 ILE 87 3HG2 ILE 87 -3.066 3.777 4.032 774 1HD1 ILE 87 1HD1 ILE 87 -0.389 2.888 2.253 775 2HD1 ILE 87 2HD1 ILE 87 -1.726 2.580 3.361 776 3HD1 ILE 87 3HD1 ILE 87 -0.155 1.830 3.644 777 H GLU 88 H GLU 88 -1.085 7.865 2.974 778 HA GLU 88 HA GLU 88 -3.644 8.908 3.543 779 1HB GLU 88 2HB GLU 88 -1.477 10.134 3.809 780 2HB GLU 88 1HB GLU 88 -1.406 10.320 2.057 781 1HG GLU 88 2HG GLU 88 -2.347 12.351 2.980 782 2HG GLU 88 1HG GLU 88 -3.645 11.474 2.169 783 H HIS 89 H HIS 89 -1.954 8.827 0.391 784 HA HIS 89 HA HIS 89 -4.181 9.878 -1.091 785 1HB HIS 89 2HB HIS 89 -2.775 9.740 -2.882 786 2HB HIS 89 1HB HIS 89 -1.557 9.444 -1.646 787 HD1 HIS 89 1HD HIS 89 -0.596 7.065 -1.454 788 HD2 HIS 89 2HD HIS 89 -3.578 7.409 -4.351 789 HE1 HIS 89 1HE HIS 89 -0.493 4.948 -2.844 790 HE2 HIS 89 2HE HIS 89 -2.303 5.149 -4.610 791 H ASN 90 H ASN 90 -3.452 6.751 0.167 792 HA ASN 90 HA ASN 90 -5.041 5.165 -1.649 793 1HB ASN 90 2HB ASN 90 -3.276 4.384 0.079 794 2HB ASN 90 1HB ASN 90 -4.568 4.526 1.270 795 1HD2 ASN 90 1HD2 ASN 90 -6.681 3.295 0.609 796 2HD2 ASN 90 2HD2 ASN 90 -6.475 1.798 -0.164 797 H LYS 91 H LYS 91 -5.699 6.665 1.525 798 HA LYS 91 HA LYS 91 -8.510 5.859 1.498 799 1HB LYS 91 2HB LYS 91 -8.616 7.453 3.494 800 2HB LYS 91 1HB LYS 91 -7.489 6.108 3.661 801 1HG LYS 91 2HG LYS 91 -5.642 7.609 2.897 802 2HG LYS 91 1HG LYS 91 -6.788 8.950 2.863 803 1HD LYS 91 2HD LYS 91 -6.176 7.285 5.326 804 2HD LYS 91 1HD LYS 91 -5.462 8.861 4.986 805 1HE LYS 91 2HE LYS 91 -7.917 9.682 4.758 806 2HE LYS 91 1HE LYS 91 -8.336 8.194 5.607 807 1HZ LYS 91 1HZ LYS 91 -7.248 10.597 6.647 808 2HZ LYS 91 2HZ LYS 91 -6.217 9.290 6.994 809 3HZ LYS 91 3HZ LYS 91 -7.844 9.245 7.481 810 H ALA 92 H ALA 92 -6.688 8.857 0.993 811 HA ALA 92 HA ALA 92 -8.705 10.730 0.681 812 1HB ALA 92 1HB ALA 92 -6.188 11.065 0.414 813 2HB ALA 92 2HB ALA 92 -7.218 11.991 -0.678 814 3HB ALA 92 3HB ALA 92 -6.401 10.539 -1.257 815 H LEU 93 H LEU 93 -7.424 8.730 -2.021 816 HA LEU 93 HA LEU 93 -9.548 9.667 -3.769 817 1HB LEU 93 2HB LEU 93 -8.345 8.733 -5.459 818 2HB LEU 93 1HB LEU 93 -7.070 8.747 -4.252 819 HG LEU 93 HG LEU 93 -7.069 6.579 -5.258 820 1HD1 LEU 93 1HD1 LEU 93 -7.646 6.957 -2.499 821 2HD1 LEU 93 2HD1 LEU 93 -6.735 5.652 -3.259 822 3HD1 LEU 93 3HD1 LEU 93 -8.475 5.493 -3.028 823 1HD2 LEU 93 1HD2 LEU 93 -9.791 7.037 -5.627 824 2HD2 LEU 93 2HD2 LEU 93 -9.733 5.684 -4.497 825 3HD2 LEU 93 3HD2 LEU 93 -8.916 5.566 -6.055 826 H GLN 94 H GLN 94 -9.197 7.000 -1.582 827 HA GLN 94 HA GLN 94 -11.177 5.249 -2.717 828 1HB GLN 94 2HB GLN 94 -9.700 5.518 -0.202 829 2HB GLN 94 1HB GLN 94 -11.346 4.933 0.041 830 1HG GLN 94 2HG GLN 94 -10.969 3.183 -1.674 831 2HG GLN 94 1HG GLN 94 -9.301 3.735 -1.860 832 1HE2 GLN 94 1HE2 GLN 94 -7.897 3.587 0.135 833 2HE2 GLN 94 2HE2 GLN 94 -8.225 2.354 1.270 834 H LYS 95 H LYS 95 -11.376 7.759 -0.181 835 HA LYS 95 HA LYS 95 -14.209 7.573 0.202 836 1HB LYS 95 2HB LYS 95 -12.278 9.868 0.684 837 2HB LYS 95 1HB LYS 95 -13.956 9.865 1.220 838 1HG LYS 95 2HG LYS 95 -13.519 7.824 2.556 839 2HG LYS 95 1HG LYS 95 -11.832 7.857 2.040 840 1HD LYS 95 2HD LYS 95 -11.549 10.078 3.073 841 2HD LYS 95 1HD LYS 95 -13.239 10.067 3.574 842 1HE LYS 95 2HE LYS 95 -12.823 8.069 4.958 843 2HE LYS 95 1HE LYS 95 -11.133 8.066 4.453 844 1HZ LYS 95 1HZ LYS 95 -10.856 10.244 5.447 845 2HZ LYS 95 2HZ LYS 95 -11.432 9.142 6.605 846 3HZ LYS 95 3HZ LYS 95 -12.489 10.275 5.908 847 H GLN 96 H GLN 96 -12.218 9.669 -1.888 848 HA GLN 96 HA GLN 96 -14.394 11.234 -2.900 849 1HB GLN 96 2HB GLN 96 -11.672 10.565 -4.051 850 2HB GLN 96 1HB GLN 96 -12.788 11.699 -4.811 851 1HG GLN 96 2HG GLN 96 -12.806 13.065 -2.751 852 2HG GLN 96 1HG GLN 96 -11.687 11.931 -1.994 853 1HE2 GLN 96 1HE2 GLN 96 -11.782 13.518 -5.245 854 2HE2 GLN 96 2HE2 GLN 96 -10.185 14.089 -5.167 855 H TYR 97 H TYR 97 -12.882 8.229 -4.029 856 HA TYR 97 HA TYR 97 -14.328 7.981 -6.479 857 1HB TYR 97 2HB TYR 97 -12.409 6.586 -6.140 858 2HB TYR 97 1HB TYR 97 -13.060 5.947 -4.632 859 HD1 TYR 97 1HD TYR 97 -14.464 4.033 -4.624 860 HD2 TYR 97 2HD TYR 97 -13.651 6.077 -8.314 861 HE1 TYR 97 1HE TYR 97 -15.589 2.213 -5.879 862 HE2 TYR 97 2HE TYR 97 -14.774 4.256 -9.569 863 HH TYR 97 HH TYR 97 -15.899 2.352 -9.430 864 H LEU 98 H LEU 98 -14.970 6.505 -3.277 865 HA LEU 98 HA LEU 98 -17.408 5.228 -4.015 866 1HB LEU 98 2HB LEU 98 -16.433 6.264 -1.341 867 2HB LEU 98 1HB LEU 98 -17.912 5.327 -1.530 868 HG LEU 98 HG LEU 98 -15.160 4.375 -2.389 869 1HD1 LEU 98 1HD1 LEU 98 -15.087 4.422 -0.025 870 2HD1 LEU 98 2HD1 LEU 98 -15.601 2.775 -0.393 871 3HD1 LEU 98 3HD1 LEU 98 -16.787 3.974 0.121 872 1HD2 LEU 98 1HD2 LEU 98 -16.642 3.107 -3.663 873 2HD2 LEU 98 2HD2 LEU 98 -17.937 3.236 -2.473 874 3HD2 LEU 98 3HD2 LEU 98 -16.583 2.142 -2.188 875 H GLU 99 H GLU 99 -16.777 8.474 -2.696 876 HA GLU 99 HA GLU 99 -19.529 9.259 -2.439 877 1HB GLU 99 2HB GLU 99 -16.979 10.851 -2.787 878 2HB GLU 99 1HB GLU 99 -18.555 11.607 -2.547 879 1HG GLU 99 2HG GLU 99 -18.828 10.453 -0.410 880 2HG GLU 99 1HG GLU 99 -17.311 9.586 -0.660 881 H GLU 100 H GLU 100 -17.202 9.504 -5.103 882 HA GLU 100 HA GLU 100 -18.955 11.083 -6.780 883 1HB GLU 100 2HB GLU 100 -17.201 11.148 -8.227 884 2HB GLU 100 1HB GLU 100 -16.309 10.547 -6.833 885 1HG GLU 100 2HG GLU 100 -15.689 9.035 -8.505 886 2HG GLU 100 1HG GLU 100 -17.017 8.185 -7.714 887 H THR 101 H THR 101 -18.775 7.715 -6.052 888 HA THR 101 HA THR 101 -20.165 6.900 -8.519 889 HB THR 101 HB THR 101 -20.322 4.683 -7.214 890 HG1 THR 101 1HG THR 101 -19.594 6.229 -5.282 891 1HG2 THR 101 1HG2 THR 101 -18.659 5.102 -8.973 892 2HG2 THR 101 2HG2 THR 101 -17.940 4.180 -7.652 893 3HG2 THR 101 3HG2 THR 101 -17.611 5.906 -7.804 894 H LEU 102 H LEU 102 -20.929 7.787 -5.221 895 HA LEU 102 HA LEU 102 -23.664 6.752 -5.318 896 1HB LEU 102 2HB LEU 102 -22.317 8.700 -3.417 897 2HB LEU 102 1HB LEU 102 -23.946 8.061 -3.202 898 HG LEU 102 HG LEU 102 -21.474 6.323 -3.445 899 1HD1 LEU 102 1HD1 LEU 102 -21.544 6.070 -1.049 900 2HD1 LEU 102 2HD1 LEU 102 -23.036 7.004 -0.938 901 3HD1 LEU 102 3HD1 LEU 102 -21.527 7.800 -1.387 902 1HD2 LEU 102 1HD2 LEU 102 -23.304 4.976 -4.006 903 2HD2 LEU 102 2HD2 LEU 102 -24.405 5.856 -2.946 904 3HD2 LEU 102 3HD2 LEU 102 -23.219 4.746 -2.260 905 H GLU 103 H GLU 103 -22.028 9.698 -6.203 906 HA GLU 103 HA GLU 103 -24.563 11.210 -6.480 907 1HB GLU 103 2HB GLU 103 -21.660 11.916 -7.010 908 2HB GLU 103 1HB GLU 103 -23.003 13.024 -7.282 909 1HG GLU 103 2HG GLU 103 -23.613 12.907 -4.913 910 2HG GLU 103 1HG GLU 103 -22.322 11.737 -4.621 911 H HIS 104 H HIS 104 -25.647 11.217 -8.343 912 HA HIS 104 HA HIS 104 -24.445 11.346 -10.956 913 1HB HIS 104 2HB HIS 104 -25.244 9.119 -11.789 914 2HB HIS 104 1HB HIS 104 -23.969 8.954 -10.583 915 HD1 HIS 104 1HD HIS 104 -24.636 8.009 -8.248 916 HD2 HIS 104 2HD HIS 104 -27.832 8.248 -10.921 917 HE1 HIS 104 1HE HIS 104 -26.502 6.601 -7.265 918 HE2 HIS 104 2HE HIS 104 -28.449 6.738 -8.883 919 H2 TSA 501 1H2 TSA 501 -4.184 -0.513 4.673 920 H3 TSA 501 1H3 TSA 501 -6.398 -0.660 5.793 921 H4 TSA 501 4H TSA 501 -8.361 0.402 4.730 922 HO5 TSA 501 HO5 TSA 501 -7.133 1.599 6.369 923 H5 TSA 501 5H TSA 501 -7.901 2.448 3.152 924 1H6 TSA 501 1H6 TSA 501 -5.723 2.358 1.907 925 2H6 TSA 501 2H6 TSA 501 -5.376 2.550 3.567 926 H8 TSA 501 8H TSA 501 -7.475 -0.698 0.686 927 1H9 TSA 501 1H9 TSA 501 -5.126 -1.283 1.669 928 2H9 TSA 501 2H9 TSA 501 -5.270 0.063 0.702
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