NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
10059 | 1p6r | 5873 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1H MET 1 6.996 8.043 8.653 2 2H MET 1 2H MET 1 7.754 8.256 10.126 3 3H MET 1 3H MET 1 8.286 9.019 8.746 4 HA MET 1 HA MET 1 5.753 9.525 10.106 5 1HB MET 1 1HB MET 1 8.147 11.346 9.531 6 2HB MET 1 2HB MET 1 6.595 11.873 10.193 7 1HG MET 1 1HG MET 1 8.052 11.688 12.035 8 2HG MET 1 2HG MET 1 6.936 10.326 12.138 9 1HE MET 1 1HE MET 1 9.848 8.460 13.690 10 2HE MET 1 2HE MET 1 8.078 8.589 13.568 11 3HE MET 1 3HE MET 1 9.044 9.997 14.080 12 H LYS 2 H LYS 2 4.718 11.629 8.900 13 HA LYS 2 HA LYS 2 4.079 10.593 6.352 14 1HB LYS 2 1HB LYS 2 2.596 12.023 7.795 15 2HB LYS 2 2HB LYS 2 3.514 13.435 7.224 16 1HG LYS 2 1HG LYS 2 2.939 12.829 4.872 17 2HG LYS 2 2HG LYS 2 2.122 11.366 5.449 18 1HD LYS 2 1HD LYS 2 0.501 12.808 6.718 19 2HD LYS 2 2HD LYS 2 1.311 14.242 6.060 20 1HE LYS 2 1HE LYS 2 -0.655 13.773 4.713 21 2HE LYS 2 2HE LYS 2 0.780 13.430 3.734 22 1HZ LYS 2 1HZ LYS 2 -0.884 11.728 3.546 23 2HZ LYS 2 2HZ LYS 2 -0.856 11.452 5.166 24 3HZ LYS 2 3HZ LYS 2 0.456 11.083 4.252 25 H LYS 3 H LYS 3 5.019 10.812 4.407 26 HA LYS 3 HA LYS 3 6.846 13.049 3.771 27 1HB LYS 3 1HB LYS 3 8.138 11.096 4.769 28 2HB LYS 3 2HB LYS 3 7.487 10.064 3.484 29 1HG LYS 3 1HG LYS 3 8.624 11.504 1.787 30 2HG LYS 3 2HG LYS 3 9.218 12.543 3.091 31 1HD LYS 3 1HD LYS 3 10.455 10.615 4.066 32 2HD LYS 3 2HD LYS 3 9.873 9.582 2.737 33 1HE LYS 3 1HE LYS 3 10.991 11.070 1.094 34 2HE LYS 3 2HE LYS 3 11.550 12.118 2.399 35 1HZ LYS 3 1HZ LYS 3 12.806 10.273 3.260 36 2HZ LYS 3 2HZ LYS 3 12.283 9.295 2.039 37 3HZ LYS 3 3HZ LYS 3 13.235 10.597 1.702 38 H ILE 4 H ILE 4 6.918 13.254 1.321 39 HA ILE 4 HA ILE 4 4.386 12.445 0.233 40 HB ILE 4 HB ILE 4 5.795 14.449 -0.490 41 1HG1 ILE 4 1HG1 ILE 4 4.998 14.365 -2.838 42 2HG1 ILE 4 2HG1 ILE 4 4.542 12.676 -2.634 43 1HG2 ILE 4 1HG2 ILE 4 7.369 14.183 -2.252 44 2HG2 ILE 4 2HG2 ILE 4 7.023 12.456 -2.441 45 3HG2 ILE 4 3HG2 ILE 4 7.845 13.046 -0.987 46 1HD1 ILE 4 1HD1 ILE 4 2.662 14.337 -2.440 47 2HD1 ILE 4 2HD1 ILE 4 2.816 13.347 -0.987 48 3HD1 ILE 4 3HD1 ILE 4 3.438 15.014 -0.997 49 HA PRO 5 HA PRO 5 5.583 8.277 -0.362 50 1HB PRO 5 1HB PRO 5 3.845 8.257 -2.840 51 2HB PRO 5 2HB PRO 5 3.912 7.063 -1.497 52 1HG PRO 5 1HG PRO 5 1.967 8.924 -1.692 53 2HG PRO 5 2HG PRO 5 2.706 8.579 -0.089 54 1HD PRO 5 1HD PRO 5 3.229 10.887 -1.953 55 2HD PRO 5 2HD PRO 5 3.069 10.846 -0.169 56 H GLN 6 H GLN 6 7.705 8.055 -0.932 57 HA GLN 6 HA GLN 6 8.687 8.636 -3.639 58 1HB GLN 6 1HB GLN 6 10.106 7.445 -1.223 59 2HB GLN 6 2HB GLN 6 10.866 8.009 -2.716 60 1HG GLN 6 1HG GLN 6 9.377 9.742 -0.682 61 2HG GLN 6 2HG GLN 6 11.125 9.622 -0.882 62 1HE2 GLN 6 1HE2 GLN 6 10.022 12.216 -0.948 63 2HE2 GLN 6 2HE2 GLN 6 10.029 12.745 -2.606 64 H ILE 7 H ILE 7 7.145 7.276 -4.542 65 HA ILE 7 HA ILE 7 7.132 4.404 -4.030 66 HB ILE 7 HB ILE 7 5.540 6.397 -5.623 67 1HG1 ILE 7 1HG1 ILE 7 5.299 6.269 -3.159 68 2HG1 ILE 7 2HG1 ILE 7 3.824 6.102 -4.104 69 1HG2 ILE 7 1HG2 ILE 7 3.870 4.650 -6.158 70 2HG2 ILE 7 2HG2 ILE 7 5.380 4.479 -7.054 71 3HG2 ILE 7 3HG2 ILE 7 5.043 3.415 -5.678 72 1HD1 ILE 7 1HD1 ILE 7 5.372 3.860 -2.742 73 2HD1 ILE 7 2HD1 ILE 7 3.821 4.562 -2.235 74 3HD1 ILE 7 3HD1 ILE 7 3.915 3.619 -3.726 75 H SER 8 H SER 8 7.852 2.796 -5.252 76 HA SER 8 HA SER 8 9.097 3.340 -7.914 77 1HB SER 8 1HB SER 8 9.978 1.037 -7.653 78 2HB SER 8 2HB SER 8 10.495 2.091 -6.326 79 HG SER 8 HG SER 8 8.951 1.145 -5.005 80 H ASP 9 H ASP 9 8.343 1.915 -9.713 81 HA ASP 9 HA ASP 9 5.604 1.808 -10.040 82 1HB ASP 9 1HB ASP 9 7.128 1.597 -11.891 83 2HB ASP 9 2HB ASP 9 7.687 0.009 -11.318 84 H ALA 10 H ALA 10 7.700 -0.782 -8.763 85 HA ALA 10 HA ALA 10 5.779 -2.836 -8.601 86 1HB ALA 10 1HB ALA 10 8.250 -3.091 -8.309 87 2HB ALA 10 2HB ALA 10 7.315 -3.881 -7.036 88 3HB ALA 10 3HB ALA 10 8.118 -2.325 -6.709 89 H GLU 11 H GLU 11 6.444 -0.125 -6.347 90 HA GLU 11 HA GLU 11 4.540 -1.080 -4.324 91 1HB GLU 11 1HB GLU 11 5.884 1.597 -4.817 92 2HB GLU 11 2HB GLU 11 4.781 1.277 -3.475 93 1HG GLU 11 1HG GLU 11 6.291 -0.292 -2.480 94 2HG GLU 11 2HG GLU 11 7.326 -0.330 -3.920 95 H LEU 12 H LEU 12 4.629 1.283 -7.026 96 HA LEU 12 HA LEU 12 2.139 2.446 -6.676 97 1HB LEU 12 1HB LEU 12 3.887 3.098 -8.408 98 2HB LEU 12 2HB LEU 12 3.331 1.731 -9.382 99 HG LEU 12 HG LEU 12 1.025 2.734 -9.435 100 1HD1 LEU 12 1HD1 LEU 12 1.088 4.188 -7.451 101 2HD1 LEU 12 2HD1 LEU 12 0.859 5.174 -8.898 102 3HD1 LEU 12 3HD1 LEU 12 2.460 5.086 -8.132 103 1HD2 LEU 12 1HD2 LEU 12 1.650 4.477 -11.082 104 2HD2 LEU 12 2HD2 LEU 12 3.334 4.381 -10.522 105 3HD2 LEU 12 3HD2 LEU 12 2.574 2.980 -11.298 106 H GLU 13 H GLU 13 2.887 -0.682 -8.301 107 HA GLU 13 HA GLU 13 0.318 -1.339 -9.201 108 1HB GLU 13 1HB GLU 13 2.445 -3.041 -7.911 109 2HB GLU 13 2HB GLU 13 1.004 -3.734 -8.641 110 1HG GLU 13 1HG GLU 13 2.974 -1.947 -10.163 111 2HG GLU 13 2HG GLU 13 3.024 -3.707 -10.158 112 H VAL 14 H VAL 14 1.584 -1.633 -5.824 113 HA VAL 14 HA VAL 14 -0.870 -2.909 -4.953 114 HB VAL 14 HB VAL 14 -0.005 -3.230 -2.966 115 1HG1 VAL 14 1HG1 VAL 14 2.629 -2.651 -4.351 116 2HG1 VAL 14 2HG1 VAL 14 2.278 -3.842 -3.081 117 3HG1 VAL 14 3HG1 VAL 14 1.612 -4.058 -4.706 118 1HG2 VAL 14 1HG2 VAL 14 0.135 -0.971 -2.092 119 2HG2 VAL 14 2HG2 VAL 14 1.562 -1.914 -1.673 120 3HG2 VAL 14 3HG2 VAL 14 1.663 -0.697 -2.950 121 H MET 15 H MET 15 0.433 0.427 -4.940 122 HA MET 15 HA MET 15 -1.671 1.626 -3.464 123 1HB MET 15 1HB MET 15 -0.388 2.902 -5.916 124 2HB MET 15 2HB MET 15 -1.251 3.658 -4.566 125 1HG MET 15 1HG MET 15 0.526 2.861 -3.041 126 2HG MET 15 2HG MET 15 1.441 2.334 -4.454 127 1HE MET 15 1HE MET 15 0.790 6.564 -2.869 128 2HE MET 15 2HE MET 15 -0.443 5.278 -2.810 129 3HE MET 15 3HE MET 15 1.089 5.085 -1.925 130 H LYS 16 H LYS 16 -1.344 1.091 -6.950 131 HA LYS 16 HA LYS 16 -3.784 2.068 -7.902 132 1HB LYS 16 1HB LYS 16 -1.754 1.497 -9.175 133 2HB LYS 16 2HB LYS 16 -2.127 -0.233 -8.994 134 1HG LYS 16 1HG LYS 16 -4.351 0.271 -10.126 135 2HG LYS 16 2HG LYS 16 -3.747 1.898 -10.452 136 1HD LYS 16 1HD LYS 16 -2.498 -0.728 -11.438 137 2HD LYS 16 2HD LYS 16 -3.468 0.403 -12.381 138 1HE LYS 16 1HE LYS 16 -1.327 0.987 -13.034 139 2HE LYS 16 2HE LYS 16 -1.650 2.185 -11.773 140 1HZ LYS 16 1HZ LYS 16 -0.384 0.730 -10.270 141 2HZ LYS 16 2HZ LYS 16 0.507 1.234 -11.556 142 3HZ LYS 16 3HZ LYS 16 -0.077 -0.300 -11.517 143 H VAL 17 H VAL 17 -2.967 -1.327 -6.961 144 HA VAL 17 HA VAL 17 -5.592 -2.345 -7.362 145 HB VAL 17 HB VAL 17 -3.263 -3.150 -5.584 146 1HG1 VAL 17 1HG1 VAL 17 -4.410 -5.303 -5.201 147 2HG1 VAL 17 2HG1 VAL 17 -5.899 -4.627 -5.903 148 3HG1 VAL 17 3HG1 VAL 17 -5.229 -3.973 -4.385 149 1HG2 VAL 17 1HG2 VAL 17 -3.093 -3.456 -8.080 150 2HG2 VAL 17 2HG2 VAL 17 -4.556 -4.456 -8.025 151 3HG2 VAL 17 3HG2 VAL 17 -3.083 -4.992 -7.198 152 H ILE 18 H ILE 18 -4.075 -1.069 -4.366 153 HA ILE 18 HA ILE 18 -6.301 -1.475 -2.679 154 HB ILE 18 HB ILE 18 -3.957 0.442 -2.549 155 1HG1 ILE 18 1HG1 ILE 18 -4.584 -2.089 -0.955 156 2HG1 ILE 18 2HG1 ILE 18 -3.626 -2.112 -2.424 157 1HG2 ILE 18 1HG2 ILE 18 -6.027 -0.128 -0.383 158 2HG2 ILE 18 2HG2 ILE 18 -4.522 0.785 -0.156 159 3HG2 ILE 18 3HG2 ILE 18 -5.779 1.414 -1.215 160 1HD1 ILE 18 1HD1 ILE 18 -2.944 -0.799 0.214 161 2HD1 ILE 18 2HD1 ILE 18 -2.057 -0.449 -1.296 162 3HD1 ILE 18 3HD1 ILE 18 -2.090 -2.096 -0.630 163 H TRP 19 H TRP 19 -5.447 1.455 -4.608 164 HA TRP 19 HA TRP 19 -7.570 3.047 -3.651 165 1HB TRP 19 1HB TRP 19 -5.993 3.080 -6.239 166 2HB TRP 19 2HB TRP 19 -7.276 4.238 -5.917 167 HD1 TRP 19 HD1 TRP 19 -6.770 5.170 -3.050 168 HE1 TRP 19 HE1 TRP 19 -4.732 6.684 -2.485 169 HE3 TRP 19 HE3 TRP 19 -3.747 4.071 -7.038 170 HZ2 TRP 19 HZ2 TRP 19 -2.209 7.297 -3.596 171 HZ3 TRP 19 HZ3 TRP 19 -1.455 5.015 -7.153 172 HH2 TRP 19 HH2 TRP 19 -0.670 6.620 -5.440 173 H LYS 20 H LYS 20 -7.878 0.238 -5.741 174 HA LYS 20 HA LYS 20 -10.395 1.190 -6.923 175 1HB LYS 20 1HB LYS 20 -9.408 -1.669 -6.666 176 2HB LYS 20 2HB LYS 20 -10.640 -1.051 -7.762 177 1HG LYS 20 1HG LYS 20 -7.654 -0.599 -7.826 178 2HG LYS 20 2HG LYS 20 -8.623 -1.457 -9.013 179 1HD LYS 20 1HD LYS 20 -8.667 1.556 -8.484 180 2HD LYS 20 2HD LYS 20 -7.903 0.738 -9.845 181 1HE LYS 20 1HE LYS 20 -10.125 -0.117 -10.595 182 2HE LYS 20 2HE LYS 20 -10.905 0.750 -9.259 183 1HZ LYS 20 1HZ LYS 20 -10.996 1.988 -11.272 184 2HZ LYS 20 2HZ LYS 20 -10.075 2.788 -10.165 185 3HZ LYS 20 3HZ LYS 20 -9.355 1.990 -11.415 186 H HIS 21 H HIS 21 -9.411 -0.077 -3.858 187 HA HIS 21 HA HIS 21 -12.100 -1.179 -3.216 188 1HB HIS 21 1HB HIS 21 -9.491 -1.384 -1.676 189 2HB HIS 21 2HB HIS 21 -10.943 -2.373 -1.480 190 HD2 HIS 21 HD2 HIS 21 -11.336 -3.255 -4.637 191 HE1 HIS 21 HE1 HIS 21 -7.477 -4.901 -4.107 192 HE2 HIS 21 HE2 HIS 21 -9.559 -4.944 -5.575 193 H SER 22 H SER 22 -12.951 -0.602 -0.947 194 HA SER 22 HA SER 22 -12.852 2.274 -0.502 195 1HB SER 22 1HB SER 22 -14.123 1.420 1.620 196 2HB SER 22 2HB SER 22 -14.883 1.153 0.036 197 HG SER 22 HG SER 22 -14.853 -0.777 1.304 198 H SER 23 H SER 23 -11.894 -0.623 1.327 199 HA SER 23 HA SER 23 -9.217 0.532 1.621 200 1HB SER 23 1HB SER 23 -10.827 -0.534 4.003 201 2HB SER 23 2HB SER 23 -9.091 -0.216 4.048 202 HG SER 23 HG SER 23 -10.458 1.893 3.005 203 H ILE 24 H ILE 24 -8.105 -1.818 2.865 204 HA ILE 24 HA ILE 24 -9.542 -4.153 2.012 205 HB ILE 24 HB ILE 24 -8.682 -3.751 -0.110 206 1HG1 ILE 24 1HG1 ILE 24 -6.721 -5.780 0.997 207 2HG1 ILE 24 2HG1 ILE 24 -8.460 -6.088 0.868 208 1HG2 ILE 24 1HG2 ILE 24 -5.909 -3.373 1.049 209 2HG2 ILE 24 2HG2 ILE 24 -6.382 -3.321 -0.671 210 3HG2 ILE 24 3HG2 ILE 24 -6.965 -2.085 0.430 211 1HD1 ILE 24 1HD1 ILE 24 -8.442 -5.771 -1.516 212 2HD1 ILE 24 2HD1 ILE 24 -7.208 -6.960 -1.083 213 3HD1 ILE 24 3HD1 ILE 24 -6.721 -5.323 -1.512 214 H ASN 25 H ASN 25 -8.629 -6.104 3.007 215 HA ASN 25 HA ASN 25 -6.998 -5.428 5.415 216 1HB ASN 25 1HB ASN 25 -7.765 -7.432 6.392 217 2HB ASN 25 2HB ASN 25 -9.178 -6.562 5.798 218 1HD2 ASN 25 1HD2 ASN 25 -10.582 -7.680 4.444 219 2HD2 ASN 25 2HD2 ASN 25 -10.208 -9.270 3.789 220 H THR 26 H THR 26 -5.195 -6.755 5.997 221 HA THR 26 HA THR 26 -3.331 -7.222 4.145 222 HB THR 26 HB THR 26 -3.543 -9.062 6.541 223 HG1 THR 26 HG1 THR 26 -3.007 -6.279 6.597 224 1HG2 THR 26 1HG2 THR 26 -1.258 -7.430 5.319 225 2HG2 THR 26 2HG2 THR 26 -1.490 -9.178 5.173 226 3HG2 THR 26 3HG2 THR 26 -1.141 -8.462 6.756 227 H ASN 27 H ASN 27 -5.584 -9.895 5.198 228 HA ASN 27 HA ASN 27 -4.153 -11.871 3.725 229 1HB ASN 27 1HB ASN 27 -5.858 -12.401 5.445 230 2HB ASN 27 2HB ASN 27 -7.140 -11.872 4.345 231 1HD2 ASN 27 1HD2 ASN 27 -7.665 -13.248 2.486 232 2HD2 ASN 27 2HD2 ASN 27 -6.973 -14.856 2.371 233 H GLU 28 H GLU 28 -7.173 -10.069 2.795 234 HA GLU 28 HA GLU 28 -7.264 -10.920 0.138 235 1HB GLU 28 1HB GLU 28 -8.190 -8.491 1.701 236 2HB GLU 28 2HB GLU 28 -8.433 -8.571 -0.043 237 1HG GLU 28 1HG GLU 28 -10.365 -9.375 1.216 238 2HG GLU 28 2HG GLU 28 -9.704 -10.550 0.062 239 H VAL 29 H VAL 29 -5.405 -8.157 1.536 240 HA VAL 29 HA VAL 29 -4.559 -7.190 -0.991 241 HB VAL 29 HB VAL 29 -4.265 -6.346 1.641 242 1HG1 VAL 29 1HG1 VAL 29 -2.086 -7.483 1.989 243 2HG1 VAL 29 2HG1 VAL 29 -1.453 -6.689 0.526 244 3HG1 VAL 29 3HG1 VAL 29 -1.948 -5.734 1.930 245 1HG2 VAL 29 1HG2 VAL 29 -2.946 -5.196 -0.828 246 2HG2 VAL 29 2HG2 VAL 29 -3.357 -4.331 0.670 247 3HG2 VAL 29 3HG2 VAL 29 -4.645 -4.976 -0.357 248 H ILE 30 H ILE 30 -2.772 -9.402 1.268 249 HA ILE 30 HA ILE 30 -0.622 -9.876 -0.478 250 HB ILE 30 HB ILE 30 -1.821 -11.713 1.641 251 1HG1 ILE 30 1HG1 ILE 30 0.257 -9.497 1.646 252 2HG1 ILE 30 2HG1 ILE 30 -1.158 -9.637 2.653 253 1HG2 ILE 30 1HG2 ILE 30 0.367 -12.849 1.617 254 2HG2 ILE 30 2HG2 ILE 30 -0.355 -12.950 0.025 255 3HG2 ILE 30 3HG2 ILE 30 0.937 -11.770 0.325 256 1HD1 ILE 30 1HD1 ILE 30 -0.137 -11.633 3.787 257 2HD1 ILE 30 2HD1 ILE 30 1.376 -11.263 2.914 258 3HD1 ILE 30 3HD1 ILE 30 0.697 -10.087 4.042 259 H LYS 31 H LYS 31 -3.741 -11.690 -0.197 260 HA LYS 31 HA LYS 31 -3.111 -13.606 -2.190 261 1HB LYS 31 1HB LYS 31 -5.774 -12.386 -1.370 262 2HB LYS 31 2HB LYS 31 -5.627 -13.763 -2.464 263 1HG LYS 31 1HG LYS 31 -4.542 -13.755 0.390 264 2HG LYS 31 2HG LYS 31 -6.137 -14.347 -0.080 265 1HD LYS 31 1HD LYS 31 -5.043 -16.013 -1.599 266 2HD LYS 31 2HD LYS 31 -3.454 -15.438 -1.049 267 1HE LYS 31 1HE LYS 31 -4.060 -16.024 1.300 268 2HE LYS 31 2HE LYS 31 -5.620 -16.650 0.730 269 1HZ LYS 31 1HZ LYS 31 -2.978 -17.662 -0.055 270 2HZ LYS 31 2HZ LYS 31 -4.017 -18.377 1.006 271 3HZ LYS 31 3HZ LYS 31 -4.426 -18.246 -0.585 272 H GLU 32 H GLU 32 -4.879 -10.483 -2.592 273 HA GLU 32 HA GLU 32 -5.258 -10.639 -5.350 274 1HB GLU 32 1HB GLU 32 -6.324 -9.009 -3.799 275 2HB GLU 32 2HB GLU 32 -4.775 -8.177 -3.613 276 1HG GLU 32 1HG GLU 32 -6.146 -6.966 -5.167 277 2HG GLU 32 2HG GLU 32 -4.808 -7.662 -6.086 278 H LEU 33 H LEU 33 -2.512 -9.040 -3.576 279 HA LEU 33 HA LEU 33 -1.197 -8.378 -6.037 280 1HB LEU 33 1HB LEU 33 -0.226 -8.471 -3.177 281 2HB LEU 33 2HB LEU 33 0.888 -8.293 -4.533 282 HG LEU 33 HG LEU 33 0.488 -6.132 -3.761 283 1HD1 LEU 33 1HD1 LEU 33 0.496 -6.493 -6.275 284 2HD1 LEU 33 2HD1 LEU 33 -0.207 -4.971 -5.707 285 3HD1 LEU 33 3HD1 LEU 33 -1.269 -6.262 -6.233 286 1HD2 LEU 33 1HD2 LEU 33 -2.509 -6.607 -4.036 287 2HD2 LEU 33 2HD2 LEU 33 -1.586 -6.428 -2.524 288 3HD2 LEU 33 3HD2 LEU 33 -1.734 -5.063 -3.641 289 H SER 34 H SER 34 -0.833 -11.258 -3.904 290 HA SER 34 HA SER 34 1.294 -12.404 -5.369 291 1HB SER 34 1HB SER 34 -0.999 -13.848 -3.973 292 2HB SER 34 2HB SER 34 0.549 -14.559 -4.471 293 HG SER 34 HG SER 34 0.164 -12.469 -2.587 294 H LYS 35 H LYS 35 -2.251 -12.591 -5.953 295 HA LYS 35 HA LYS 35 -2.093 -14.425 -8.146 296 1HB LYS 35 1HB LYS 35 -4.129 -12.309 -7.354 297 2HB LYS 35 2HB LYS 35 -4.369 -13.421 -8.706 298 1HG LYS 35 1HG LYS 35 -4.354 -15.350 -7.294 299 2HG LYS 35 2HG LYS 35 -3.754 -14.437 -5.903 300 1HD LYS 35 1HD LYS 35 -5.837 -13.097 -5.854 301 2HD LYS 35 2HD LYS 35 -6.467 -14.014 -7.238 302 1HE LYS 35 1HE LYS 35 -6.391 -16.101 -5.910 303 2HE LYS 35 2HE LYS 35 -5.675 -15.226 -4.543 304 1HZ LYS 35 1HZ LYS 35 -7.667 -13.921 -4.409 305 2HZ LYS 35 2HZ LYS 35 -8.017 -15.525 -4.272 306 3HZ LYS 35 3HZ LYS 35 -8.335 -14.730 -5.680 307 H THR 36 H THR 36 -2.188 -10.827 -8.054 308 HA THR 36 HA THR 36 -2.105 -10.643 -10.955 309 HB THR 36 HB THR 36 -1.817 -8.182 -10.467 310 HG1 THR 36 HG1 THR 36 -2.359 -8.982 -7.796 311 1HG2 THR 36 1HG2 THR 36 -4.036 -9.213 -10.834 312 2HG2 THR 36 2HG2 THR 36 -4.136 -9.661 -9.121 313 3HG2 THR 36 3HG2 THR 36 -4.129 -7.951 -9.591 314 H SER 37 H SER 37 0.382 -10.519 -8.443 315 HA SER 37 HA SER 37 2.478 -10.840 -10.476 316 1HB SER 37 1HB SER 37 2.429 -8.556 -8.460 317 2HB SER 37 2HB SER 37 3.857 -9.062 -9.388 318 HG SER 37 HG SER 37 1.634 -8.733 -10.962 319 H THR 38 H THR 38 3.217 -12.806 -9.782 320 HA THR 38 HA THR 38 2.893 -13.771 -7.132 321 HB THR 38 HB THR 38 4.255 -15.672 -8.072 322 HG1 THR 38 HG1 THR 38 5.516 -14.399 -9.447 323 1HG2 THR 38 1HG2 THR 38 2.617 -16.328 -9.784 324 2HG2 THR 38 2HG2 THR 38 1.985 -14.674 -9.864 325 3HG2 THR 38 3HG2 THR 38 1.800 -15.623 -8.376 326 H TRP 39 H TRP 39 3.992 -11.800 -6.108 327 HA TRP 39 HA TRP 39 6.918 -12.153 -5.782 328 1HB TRP 39 1HB TRP 39 4.944 -10.173 -4.572 329 2HB TRP 39 2HB TRP 39 6.700 -10.148 -4.420 330 HD1 TRP 39 HD1 TRP 39 7.635 -10.400 -7.345 331 HE1 TRP 39 HE1 TRP 39 7.322 -8.433 -8.996 332 HE3 TRP 39 HE3 TRP 39 3.748 -7.972 -5.048 333 HZ2 TRP 39 HZ2 TRP 39 5.690 -6.105 -9.227 334 HZ3 TRP 39 HZ3 TRP 39 2.888 -5.852 -5.968 335 HH2 TRP 39 HH2 TRP 39 3.852 -4.908 -8.056 336 H SER 40 H SER 40 7.769 -12.461 -3.597 337 HA SER 40 HA SER 40 6.356 -14.453 -2.080 338 1HB SER 40 1HB SER 40 8.822 -14.305 -2.089 339 2HB SER 40 2HB SER 40 8.744 -12.700 -1.337 340 HG SER 40 HG SER 40 8.106 -15.204 -0.213 341 HA PRO 41 HA PRO 41 3.640 -11.846 0.415 342 1HB PRO 41 1HB PRO 41 4.749 -13.540 2.676 343 2HB PRO 41 2HB PRO 41 3.069 -12.975 2.438 344 1HG PRO 41 1HG PRO 41 3.715 -15.477 1.666 345 2HG PRO 41 2HG PRO 41 2.790 -14.441 0.540 346 1HD PRO 41 1HD PRO 41 5.751 -15.048 0.499 347 2HD PRO 41 2HD PRO 41 4.579 -14.973 -0.854 348 H LYS 42 H LYS 42 6.952 -12.482 1.618 349 HA LYS 42 HA LYS 42 7.287 -10.368 3.409 350 1HB LYS 42 1HB LYS 42 8.848 -12.214 3.048 351 2HB LYS 42 2HB LYS 42 9.308 -11.586 1.463 352 1HG LYS 42 1HG LYS 42 9.595 -9.813 3.908 353 2HG LYS 42 2HG LYS 42 10.733 -11.144 3.664 354 1HD LYS 42 1HD LYS 42 11.430 -10.276 1.493 355 2HD LYS 42 2HD LYS 42 10.231 -8.983 1.560 356 1HE LYS 42 1HE LYS 42 12.382 -8.077 2.152 357 2HE LYS 42 2HE LYS 42 11.314 -8.021 3.559 358 1HZ LYS 42 1HZ LYS 42 13.507 -8.793 4.104 359 2HZ LYS 42 2HZ LYS 42 12.403 -9.980 4.388 360 3HZ LYS 42 3HZ LYS 42 13.376 -10.060 3.058 361 H THR 43 H THR 43 7.446 -10.366 -0.155 362 HA THR 43 HA THR 43 8.516 -7.774 -0.564 363 HB THR 43 HB THR 43 6.417 -9.067 -2.343 364 HG1 THR 43 HG1 THR 43 7.626 -10.746 -2.021 365 1HG2 THR 43 1HG2 THR 43 8.969 -7.540 -2.972 366 2HG2 THR 43 2HG2 THR 43 7.834 -8.204 -4.159 367 3HG2 THR 43 3HG2 THR 43 7.300 -6.917 -3.069 368 H ILE 44 H ILE 44 5.170 -9.019 -0.242 369 HA ILE 44 HA ILE 44 3.868 -6.512 -0.692 370 HB ILE 44 HB ILE 44 2.746 -8.812 0.945 371 1HG1 ILE 44 1HG1 ILE 44 3.509 -9.909 -1.039 372 2HG1 ILE 44 2HG1 ILE 44 1.775 -9.663 -1.173 373 1HG2 ILE 44 1HG2 ILE 44 1.513 -6.581 -0.727 374 2HG2 ILE 44 2HG2 ILE 44 1.416 -6.805 1.027 375 3HG2 ILE 44 3HG2 ILE 44 0.605 -7.943 -0.055 376 1HD1 ILE 44 1HD1 ILE 44 2.802 -9.208 -3.292 377 2HD1 ILE 44 2HD1 ILE 44 3.947 -8.056 -2.585 378 3HD1 ILE 44 3HD1 ILE 44 2.217 -7.662 -2.641 379 H GLN 45 H GLN 45 4.808 -8.303 2.275 380 HA GLN 45 HA GLN 45 3.904 -6.415 4.168 381 1HB GLN 45 1HB GLN 45 6.209 -8.367 4.241 382 2HB GLN 45 2HB GLN 45 5.693 -7.409 5.630 383 1HG GLN 45 1HG GLN 45 3.813 -9.249 4.061 384 2HG GLN 45 2HG GLN 45 4.696 -9.721 5.510 385 1HE2 GLN 45 1HE2 GLN 45 4.381 -8.197 7.482 386 2HE2 GLN 45 2HE2 GLN 45 2.726 -7.680 7.740 387 H THR 46 H THR 46 7.013 -6.535 2.375 388 HA THR 46 HA THR 46 8.195 -4.295 3.681 389 HB THR 46 HB THR 46 8.701 -5.285 0.843 390 HG1 THR 46 HG1 THR 46 8.926 -6.919 2.437 391 1HG2 THR 46 1HG2 THR 46 9.747 -3.088 1.298 392 2HG2 THR 46 2HG2 THR 46 10.965 -4.374 1.233 393 3HG2 THR 46 3HG2 THR 46 10.445 -3.730 2.802 394 H MET 47 H MET 47 6.317 -4.488 0.579 395 HA MET 47 HA MET 47 6.347 -1.740 -0.040 396 1HB MET 47 1HB MET 47 4.250 -3.897 -0.554 397 2HB MET 47 2HB MET 47 4.250 -2.299 -1.317 398 1HG MET 47 1HG MET 47 6.367 -2.706 -2.362 399 2HG MET 47 2HG MET 47 6.624 -4.207 -1.513 400 1HE MET 47 1HE MET 47 7.352 -4.840 -4.042 401 2HE MET 47 2HE MET 47 6.594 -3.412 -4.773 402 3HE MET 47 3HE MET 47 6.159 -5.044 -5.351 403 H LEU 48 H LEU 48 3.901 -3.601 1.840 404 HA LEU 48 HA LEU 48 2.239 -1.416 2.539 405 1HB LEU 48 1HB LEU 48 2.954 -3.952 4.071 406 2HB LEU 48 2HB LEU 48 1.672 -2.846 4.564 407 HG LEU 48 HG LEU 48 1.698 -4.253 1.853 408 1HD1 LEU 48 1HD1 LEU 48 0.065 -5.802 2.903 409 2HD1 LEU 48 2HD1 LEU 48 0.336 -5.011 4.470 410 3HD1 LEU 48 3HD1 LEU 48 1.647 -5.899 3.675 411 1HD2 LEU 48 1HD2 LEU 48 0.298 -2.265 1.827 412 2HD2 LEU 48 2HD2 LEU 48 -0.742 -3.686 1.933 413 3HD2 LEU 48 3HD2 LEU 48 -0.431 -2.708 3.380 414 H LEU 49 H LEU 49 5.039 -2.810 4.331 415 HA LEU 49 HA LEU 49 4.984 -1.052 6.467 416 1HB LEU 49 1HB LEU 49 6.303 -3.054 6.407 417 2HB LEU 49 2HB LEU 49 7.381 -2.414 5.167 418 HG LEU 49 HG LEU 49 7.092 -0.821 7.714 419 1HD1 LEU 49 1HD1 LEU 49 8.746 -2.248 8.860 420 2HD1 LEU 49 2HD1 LEU 49 8.656 -3.424 7.527 421 3HD1 LEU 49 3HD1 LEU 49 7.234 -3.116 8.550 422 1HD2 LEU 49 1HD2 LEU 49 8.637 -0.007 5.937 423 2HD2 LEU 49 2HD2 LEU 49 9.469 -1.574 5.936 424 3HD2 LEU 49 3HD2 LEU 49 9.550 -0.523 7.357 425 H ARG 50 H ARG 50 6.696 -0.638 3.306 426 HA ARG 50 HA ARG 50 7.917 1.860 3.828 427 1HB ARG 50 1HB ARG 50 6.933 0.429 1.352 428 2HB ARG 50 2HB ARG 50 7.404 2.106 1.196 429 1HG ARG 50 1HG ARG 50 9.230 0.118 2.548 430 2HG ARG 50 2HG ARG 50 9.149 0.222 0.786 431 1HD ARG 50 1HD ARG 50 9.736 2.622 2.583 432 2HD ARG 50 2HD ARG 50 10.989 1.647 1.836 433 HE ARG 50 HE ARG 50 9.333 3.677 0.585 434 1HH1 ARG 50 1HH1 ARG 50 11.130 0.720 -0.068 435 2HH1 ARG 50 2HH1 ARG 50 11.470 1.112 -1.732 436 1HH2 ARG 50 1HH2 ARG 50 9.759 4.207 -1.683 437 2HH2 ARG 50 2HH2 ARG 50 10.643 3.072 -2.631 438 H LEU 51 H LEU 51 4.771 1.353 2.072 439 HA LEU 51 HA LEU 51 3.955 3.973 2.058 440 1HB LEU 51 1HB LEU 51 2.579 1.271 2.030 441 2HB LEU 51 2HB LEU 51 1.635 2.763 1.988 442 HG LEU 51 HG LEU 51 2.671 3.544 0.060 443 1HD1 LEU 51 1HD1 LEU 51 4.624 1.274 -0.021 444 2HD1 LEU 51 2HD1 LEU 51 4.277 2.379 -1.338 445 3HD1 LEU 51 3HD1 LEU 51 4.954 3.018 0.152 446 1HD2 LEU 51 1HD2 LEU 51 2.063 1.756 -1.620 447 2HD2 LEU 51 2HD2 LEU 51 0.849 1.944 -0.347 448 3HD2 LEU 51 3HD2 LEU 51 1.999 0.588 -0.287 449 H ILE 52 H ILE 52 3.503 1.640 4.773 450 HA ILE 52 HA ILE 52 1.897 3.459 6.307 451 HB ILE 52 HB ILE 52 3.606 1.067 7.062 452 1HG1 ILE 52 1HG1 ILE 52 0.578 1.391 6.915 453 2HG1 ILE 52 2HG1 ILE 52 1.508 0.840 5.547 454 1HG2 ILE 52 1HG2 ILE 52 1.651 2.671 8.775 455 2HG2 ILE 52 2HG2 ILE 52 2.347 1.101 9.231 456 3HG2 ILE 52 3HG2 ILE 52 3.396 2.499 9.053 457 1HD1 ILE 52 1HD1 ILE 52 1.332 -0.609 8.213 458 2HD1 ILE 52 2HD1 ILE 52 0.655 -1.088 6.648 459 3HD1 ILE 52 3HD1 ILE 52 2.411 -1.062 6.875 460 H LYS 53 H LYS 53 5.402 2.693 6.421 461 HA LYS 53 HA LYS 53 6.130 4.437 8.470 462 1HB LYS 53 1HB LYS 53 7.507 2.642 7.510 463 2HB LYS 53 2HB LYS 53 7.750 3.582 6.036 464 1HG LYS 53 1HG LYS 53 8.968 5.289 7.198 465 2HG LYS 53 2HG LYS 53 8.569 4.627 8.790 466 1HD LYS 53 1HD LYS 53 10.021 2.845 6.822 467 2HD LYS 53 2HD LYS 53 10.918 4.172 7.560 468 1HE LYS 53 1HE LYS 53 11.208 2.095 8.839 469 2HE LYS 53 2HE LYS 53 10.461 3.374 9.808 470 1HZ LYS 53 1HZ LYS 53 9.016 1.168 8.518 471 2HZ LYS 53 2HZ LYS 53 8.353 2.339 9.466 472 3HZ LYS 53 3HZ LYS 53 9.408 1.255 10.117 473 H LYS 54 H LYS 54 5.908 5.113 4.928 474 HA LYS 54 HA LYS 54 6.753 7.855 5.148 475 1HB LYS 54 1HB LYS 54 5.377 6.160 3.029 476 2HB LYS 54 2HB LYS 54 5.895 7.822 2.781 477 1HG LYS 54 1HG LYS 54 8.238 7.187 3.368 478 2HG LYS 54 2HG LYS 54 7.744 5.491 3.431 479 1HD LYS 54 1HD LYS 54 7.511 7.342 1.013 480 2HD LYS 54 2HD LYS 54 8.785 6.135 1.261 481 1HE LYS 54 1HE LYS 54 7.028 4.348 1.343 482 2HE LYS 54 2HE LYS 54 5.802 5.549 0.905 483 1HZ LYS 54 1HZ LYS 54 6.641 4.289 -0.958 484 2HZ LYS 54 2HZ LYS 54 8.147 4.904 -0.738 485 3HZ LYS 54 3HZ LYS 54 6.905 5.903 -1.139 486 H GLY 55 H GLY 55 3.842 6.472 6.255 487 1HA GLY 55 1HA GLY 55 1.819 7.360 6.750 488 2HA GLY 55 2HA GLY 55 2.492 8.973 6.495 489 H ALA 56 H ALA 56 2.451 6.413 4.059 490 HA ALA 56 HA ALA 56 0.916 8.069 2.189 491 1HB ALA 56 1HB ALA 56 1.998 5.242 1.795 492 2HB ALA 56 2HB ALA 56 1.505 6.380 0.548 493 3HB ALA 56 3HB ALA 56 2.958 6.702 1.511 494 H LEU 57 H LEU 57 0.745 4.903 3.871 495 HA LEU 57 HA LEU 57 -2.252 4.825 3.491 496 1HB LEU 57 1HB LEU 57 -0.139 2.673 3.440 497 2HB LEU 57 2HB LEU 57 -1.747 2.309 4.047 498 HG LEU 57 HG LEU 57 -2.831 2.761 2.010 499 1HD1 LEU 57 1HD1 LEU 57 -1.598 3.414 -0.084 500 2HD1 LEU 57 2HD1 LEU 57 -0.204 3.858 0.920 501 3HD1 LEU 57 3HD1 LEU 57 -1.762 4.696 1.103 502 1HD2 LEU 57 1HD2 LEU 57 -0.255 1.196 1.561 503 2HD2 LEU 57 2HD2 LEU 57 -1.785 0.571 2.195 504 3HD2 LEU 57 3HD2 LEU 57 -1.685 1.132 0.514 505 H ASN 58 H ASN 58 -3.370 5.000 5.347 506 HA ASN 58 HA ASN 58 -1.937 4.704 7.973 507 1HB ASN 58 1HB ASN 58 -3.241 6.723 7.898 508 2HB ASN 58 2HB ASN 58 -4.620 5.912 7.150 509 1HD2 ASN 58 1HD2 ASN 58 -6.019 4.557 8.459 510 2HD2 ASN 58 2HD2 ASN 58 -5.824 4.488 10.208 511 H HIS 59 H HIS 59 -2.969 3.041 9.471 512 HA HIS 59 HA HIS 59 -4.851 1.267 8.103 513 1HB HIS 59 1HB HIS 59 -3.670 -0.761 8.553 514 2HB HIS 59 2HB HIS 59 -2.604 0.299 7.649 515 HD2 HIS 59 HD2 HIS 59 -0.336 1.155 9.066 516 HE1 HIS 59 HE1 HIS 59 -1.091 -1.207 12.501 517 HE2 HIS 59 HE2 HIS 59 0.640 0.271 11.346 518 H HIS 60 H HIS 60 -5.843 -0.257 9.411 519 HA HIS 60 HA HIS 60 -6.059 0.496 12.312 520 1HB HIS 60 1HB HIS 60 -8.325 -0.200 10.398 521 2HB HIS 60 2HB HIS 60 -8.484 0.042 12.142 522 HD2 HIS 60 HD2 HIS 60 -6.796 2.870 12.404 523 HE1 HIS 60 HE1 HIS 60 -9.673 4.277 9.637 524 HE2 HIS 60 HE2 HIS 60 -7.945 4.992 11.368 525 H LYS 61 H LYS 61 -5.808 -1.260 13.626 526 HA LYS 61 HA LYS 61 -5.219 -3.836 12.357 527 1HB LYS 61 1HB LYS 61 -4.564 -4.504 14.653 528 2HB LYS 61 2HB LYS 61 -3.634 -3.202 13.908 529 1HG LYS 61 1HG LYS 61 -4.701 -1.519 15.282 530 2HG LYS 61 2HG LYS 61 -5.839 -2.707 15.955 531 1HD LYS 61 1HD LYS 61 -3.913 -3.981 16.898 532 2HD LYS 61 2HD LYS 61 -2.802 -2.744 16.290 533 1HE LYS 61 1HE LYS 61 -5.060 -2.295 18.310 534 2HE LYS 61 2HE LYS 61 -3.340 -2.450 18.700 535 1HZ LYS 61 1HZ LYS 61 -2.927 -0.493 17.386 536 2HZ LYS 61 2HZ LYS 61 -3.987 -0.181 18.608 537 3HZ LYS 61 3HZ LYS 61 -4.535 -0.328 17.063 538 H GLU 62 H GLU 62 -6.999 -4.970 11.718 539 HA GLU 62 HA GLU 62 -9.400 -5.070 13.467 540 1HB GLU 62 1HB GLU 62 -9.531 -4.683 10.966 541 2HB GLU 62 2HB GLU 62 -8.923 -6.330 10.747 542 1HG GLU 62 1HG GLU 62 -11.310 -6.433 10.602 543 2HG GLU 62 2HG GLU 62 -10.880 -7.069 12.199 544 H GLY 63 H GLY 63 -8.004 -6.011 15.078 545 1HA GLY 63 1HA GLY 63 -7.479 -7.755 16.449 546 2HA GLY 63 2HA GLY 63 -8.488 -8.792 15.437 547 H ARG 64 H ARG 64 -7.440 -9.486 13.353 548 HA ARG 64 HA ARG 64 -4.694 -10.531 13.945 549 1HB ARG 64 1HB ARG 64 -6.446 -12.183 13.810 550 2HB ARG 64 2HB ARG 64 -6.860 -11.652 12.170 551 1HG ARG 64 1HG ARG 64 -4.713 -12.368 11.306 552 2HG ARG 64 2HG ARG 64 -4.063 -12.590 12.940 553 1HD ARG 64 1HD ARG 64 -5.696 -14.409 13.350 554 2HD ARG 64 2HD ARG 64 -6.369 -14.177 11.734 555 HE ARG 64 HE ARG 64 -4.636 -15.317 10.790 556 1HH1 ARG 64 1HH1 ARG 64 -3.710 -14.486 14.096 557 2HH1 ARG 64 2HH1 ARG 64 -2.285 -15.488 14.102 558 1HH2 ARG 64 1HH2 ARG 64 -2.773 -16.613 10.773 559 2HH2 ARG 64 2HH2 ARG 64 -1.738 -16.711 12.170 560 H VAL 65 H VAL 65 -6.730 -9.009 11.415 561 HA VAL 65 HA VAL 65 -4.315 -8.711 9.661 562 HB VAL 65 HB VAL 65 -5.906 -8.423 7.814 563 1HG1 VAL 65 1HG1 VAL 65 -6.486 -10.779 7.550 564 2HG1 VAL 65 2HG1 VAL 65 -4.876 -10.626 8.277 565 3HG1 VAL 65 3HG1 VAL 65 -6.269 -11.065 9.288 566 1HG2 VAL 65 1HG2 VAL 65 -7.927 -7.695 9.026 567 2HG2 VAL 65 2HG2 VAL 65 -8.260 -9.133 8.051 568 3HG2 VAL 65 3HG2 VAL 65 -8.065 -9.288 9.801 569 H PHE 66 H PHE 66 -4.137 -6.608 8.565 570 HA PHE 66 HA PHE 66 -5.407 -4.442 10.153 571 1HB PHE 66 1HB PHE 66 -3.461 -3.071 9.811 572 2HB PHE 66 2HB PHE 66 -3.244 -4.418 10.905 573 HD1 PHE 66 HD1 PHE 66 -1.392 -2.528 8.912 574 HD2 PHE 66 HD2 PHE 66 -2.235 -6.687 9.641 575 HE1 PHE 66 HE1 PHE 66 0.873 -3.142 8.130 576 HE2 PHE 66 HE2 PHE 66 -0.051 -7.299 8.698 577 HZ PHE 66 HZ PHE 66 1.515 -5.527 7.912 578 H VAL 67 H VAL 67 -6.573 -3.074 9.126 579 HA VAL 67 HA VAL 67 -7.082 -3.453 6.269 580 HB VAL 67 HB VAL 67 -8.483 -1.876 8.459 581 1HG1 VAL 67 1HG1 VAL 67 -8.912 -0.768 6.334 582 2HG1 VAL 67 2HG1 VAL 67 -10.349 -1.679 6.806 583 3HG1 VAL 67 3HG1 VAL 67 -9.274 -2.328 5.549 584 1HG2 VAL 67 1HG2 VAL 67 -10.214 -3.620 8.255 585 2HG2 VAL 67 2HG2 VAL 67 -9.254 -4.451 7.015 586 3HG2 VAL 67 3HG2 VAL 67 -8.663 -4.353 8.686 587 H TYR 68 H TYR 68 -6.341 -2.038 4.734 588 HA TYR 68 HA TYR 68 -4.722 0.273 5.655 589 1HB TYR 68 1HB TYR 68 -5.013 -0.886 2.867 590 2HB TYR 68 2HB TYR 68 -3.803 0.263 3.435 591 HD1 TYR 68 HD1 TYR 68 -4.531 -3.193 2.883 592 HD2 TYR 68 HD2 TYR 68 -2.275 -0.534 5.410 593 HE1 TYR 68 HE1 TYR 68 -3.350 -5.114 3.867 594 HE2 TYR 68 HE2 TYR 68 -1.124 -2.477 6.422 595 HH TYR 68 HH TYR 68 -1.304 -4.804 6.772 596 H THR 69 H THR 69 -5.566 2.232 5.686 597 HA THR 69 HA THR 69 -7.783 3.071 3.877 598 HB THR 69 HB THR 69 -7.899 4.956 5.538 599 HG1 THR 69 HG1 THR 69 -5.649 4.149 6.302 600 1HG2 THR 69 1HG2 THR 69 -9.022 3.630 7.293 601 2HG2 THR 69 2HG2 THR 69 -8.282 2.142 6.676 602 3HG2 THR 69 3HG2 THR 69 -9.457 3.036 5.684 603 HA PRO 70 HA PRO 70 -4.132 4.951 1.833 604 1HB PRO 70 1HB PRO 70 -6.381 6.127 0.181 605 2HB PRO 70 2HB PRO 70 -4.803 5.490 -0.366 606 1HG PRO 70 1HG PRO 70 -7.011 3.935 -0.601 607 2HG PRO 70 2HG PRO 70 -5.496 3.244 0.063 608 1HD PRO 70 1HD PRO 70 -7.904 4.242 1.615 609 2HD PRO 70 2HD PRO 70 -6.993 2.712 1.784 610 H ASN 71 H ASN 71 -3.150 6.761 2.708 611 HA ASN 71 HA ASN 71 -4.756 8.893 3.922 612 1HB ASN 71 1HB ASN 71 -2.399 7.803 4.597 613 2HB ASN 71 2HB ASN 71 -1.813 9.096 3.562 614 1HD2 ASN 71 1HD2 ASN 71 -3.631 11.198 4.030 615 2HD2 ASN 71 2HD2 ASN 71 -3.469 11.669 5.717 616 H ILE 72 H ILE 72 -2.961 8.182 1.092 617 HA ILE 72 HA ILE 72 -3.272 10.881 -0.120 618 HB ILE 72 HB ILE 72 -1.499 9.706 -1.762 619 1HG1 ILE 72 1HG1 ILE 72 0.188 8.455 -0.540 620 2HG1 ILE 72 2HG1 ILE 72 -0.759 8.536 0.926 621 1HG2 ILE 72 1HG2 ILE 72 0.308 10.791 -0.521 622 2HG2 ILE 72 2HG2 ILE 72 -0.716 10.904 0.923 623 3HG2 ILE 72 3HG2 ILE 72 -1.133 11.819 -0.546 624 1HD1 ILE 72 1HD1 ILE 72 -1.555 7.032 -1.595 625 2HD1 ILE 72 2HD1 ILE 72 -0.704 6.310 -0.230 626 3HD1 ILE 72 3HD1 ILE 72 -2.356 6.870 -0.029 627 H ASP 73 H ASP 73 -4.211 11.075 -2.062 628 HA ASP 73 HA ASP 73 -4.958 8.812 -3.746 629 1HB ASP 73 1HB ASP 73 -6.752 8.898 -2.024 630 2HB ASP 73 2HB ASP 73 -7.101 10.574 -2.449 631 H GLU 74 H GLU 74 -5.684 12.229 -3.023 632 HA GLU 74 HA GLU 74 -5.973 13.187 -5.657 633 1HB GLU 74 1HB GLU 74 -4.895 14.656 -3.183 634 2HB GLU 74 2HB GLU 74 -5.447 15.389 -4.686 635 1HG GLU 74 1HG GLU 74 -7.232 15.631 -3.188 636 2HG GLU 74 2HG GLU 74 -7.719 14.356 -4.313 637 H SER 75 H SER 75 -3.117 13.212 -3.510 638 HA SER 75 HA SER 75 -1.226 14.008 -5.515 639 1HB SER 75 1HB SER 75 -0.677 12.551 -2.897 640 2HB SER 75 2HB SER 75 0.376 13.687 -3.757 641 HG SER 75 HG SER 75 -1.265 15.298 -3.322 642 H ASP 76 H ASP 76 -2.339 12.235 -6.983 643 HA ASP 76 HA ASP 76 -1.692 9.500 -6.599 644 1HB ASP 76 1HB ASP 76 -3.559 10.237 -7.977 645 2HB ASP 76 2HB ASP 76 -2.447 11.007 -9.125 646 H TYR 77 H TYR 77 0.535 9.712 -6.015 647 HA TYR 77 HA TYR 77 2.645 9.093 -6.347 648 1HB TYR 77 1HB TYR 77 1.711 7.368 -7.773 649 2HB TYR 77 2HB TYR 77 1.711 8.445 -9.168 650 HD1 TYR 77 HD1 TYR 77 4.582 8.257 -6.770 651 HD2 TYR 77 HD2 TYR 77 3.031 7.093 -10.632 652 HE1 TYR 77 HE1 TYR 77 6.740 7.355 -7.363 653 HE2 TYR 77 HE2 TYR 77 5.246 6.161 -11.217 654 HH TYR 77 HH TYR 77 7.832 5.895 -8.727 655 H ILE 78 H ILE 78 3.128 11.367 -5.957 656 HA ILE 78 HA ILE 78 4.454 12.698 -8.297 657 HB ILE 78 HB ILE 78 2.955 13.960 -5.980 658 1HG1 ILE 78 1HG1 ILE 78 2.331 13.843 -8.975 659 2HG1 ILE 78 2HG1 ILE 78 1.505 12.898 -7.736 660 1HG2 ILE 78 1HG2 ILE 78 4.950 15.299 -6.746 661 2HG2 ILE 78 2HG2 ILE 78 4.282 15.279 -8.393 662 3HG2 ILE 78 3HG2 ILE 78 3.422 16.100 -7.072 663 1HD1 ILE 78 1HD1 ILE 78 1.442 15.917 -8.075 664 2HD1 ILE 78 2HD1 ILE 78 0.841 15.082 -6.621 665 3HD1 ILE 78 3HD1 ILE 78 0.110 14.762 -8.210 666 H GLU 79 H GLU 79 6.525 11.830 -7.903 667 HA GLU 79 HA GLU 79 7.666 11.925 -5.218 668 1HB GLU 79 1HB GLU 79 8.898 11.238 -7.916 669 2HB GLU 79 2HB GLU 79 9.664 11.090 -6.331 670 1HG GLU 79 1HG GLU 79 7.759 9.575 -5.646 671 2HG GLU 79 2HG GLU 79 7.221 9.601 -7.332 672 H VAL 80 H VAL 80 7.885 13.968 -4.526 673 HA VAL 80 HA VAL 80 9.714 15.804 -5.981 674 HB VAL 80 HB VAL 80 7.505 16.807 -5.880 675 1HG1 VAL 80 1HG1 VAL 80 7.641 16.480 -2.855 676 2HG1 VAL 80 2HG1 VAL 80 6.520 15.651 -3.965 677 3HG1 VAL 80 3HG1 VAL 80 6.421 17.401 -3.752 678 1HG2 VAL 80 1HG2 VAL 80 9.329 18.131 -3.831 679 2HG2 VAL 80 2HG2 VAL 80 8.082 18.904 -4.822 680 3HG2 VAL 80 3HG2 VAL 80 9.528 18.234 -5.597 681 H LYS 81 H LYS 81 11.322 16.778 -4.518 682 HA LYS 81 HA LYS 81 12.354 14.852 -2.639 683 1HB LYS 81 1HB LYS 81 13.136 17.739 -3.176 684 2HB LYS 81 2HB LYS 81 14.063 16.573 -2.211 685 1HG LYS 81 1HG LYS 81 14.160 15.064 -4.231 686 2HG LYS 81 2HG LYS 81 13.446 16.353 -5.198 687 1HD LYS 81 1HD LYS 81 16.095 16.429 -3.676 688 2HD LYS 81 2HD LYS 81 15.896 16.316 -5.426 689 1HE LYS 81 1HE LYS 81 15.175 18.708 -3.663 690 2HE LYS 81 2HE LYS 81 16.518 18.587 -4.801 691 1HZ LYS 81 1HZ LYS 81 14.708 19.778 -5.744 692 2HZ LYS 81 2HZ LYS 81 13.674 18.517 -5.513 693 3HZ LYS 81 3HZ LYS 81 14.928 18.371 -6.575 694 H SER 82 H SER 82 10.397 14.642 -1.308 695 HA SER 82 HA SER 82 10.576 16.021 1.198 696 1HB SER 82 1HB SER 82 8.000 16.265 -0.429 697 2HB SER 82 2HB SER 82 8.244 16.794 1.237 698 HG SER 82 HG SER 82 10.128 17.944 -0.249 Start of MODEL 2 1 1H MET 1 1H MET 1 2.815 11.121 3.158 2 2H MET 1 2H MET 1 1.226 10.662 2.820 3 3H MET 1 3H MET 1 1.874 12.052 2.177 4 HA MET 1 HA MET 1 0.465 12.716 3.839 5 1HB MET 1 1HB MET 1 0.830 10.372 5.001 6 2HB MET 1 2HB MET 1 2.088 11.201 5.913 7 1HG MET 1 1HG MET 1 0.286 12.890 6.599 8 2HG MET 1 2HG MET 1 -0.882 11.915 5.716 9 1HE MET 1 1HE MET 1 -0.189 8.866 6.458 10 2HE MET 1 2HE MET 1 -1.791 9.650 6.423 11 3HE MET 1 3HE MET 1 -1.270 8.743 7.859 12 H LYS 2 H LYS 2 2.202 13.371 6.388 13 HA LYS 2 HA LYS 2 3.631 15.635 5.346 14 1HB LYS 2 1HB LYS 2 3.904 14.071 7.969 15 2HB LYS 2 2HB LYS 2 4.767 15.572 7.583 16 1HG LYS 2 1HG LYS 2 2.612 16.734 7.239 17 2HG LYS 2 2HG LYS 2 1.726 15.283 7.723 18 1HD LYS 2 1HD LYS 2 2.722 15.357 9.955 19 2HD LYS 2 2HD LYS 2 3.798 16.686 9.484 20 1HE LYS 2 1HE LYS 2 0.753 16.901 9.468 21 2HE LYS 2 2HE LYS 2 1.783 17.401 10.821 22 1HZ LYS 2 1HZ LYS 2 1.264 19.237 9.423 23 2HZ LYS 2 2HZ LYS 2 1.909 18.518 8.095 24 3HZ LYS 2 3HZ LYS 2 2.880 18.933 9.353 25 H LYS 3 H LYS 3 4.535 12.326 6.326 26 HA LYS 3 HA LYS 3 7.198 12.451 5.093 27 1HB LYS 3 1HB LYS 3 5.470 10.106 6.029 28 2HB LYS 3 2HB LYS 3 7.144 9.996 5.453 29 1HG LYS 3 1HG LYS 3 7.886 11.494 7.289 30 2HG LYS 3 2HG LYS 3 6.218 11.600 7.883 31 1HD LYS 3 1HD LYS 3 6.194 9.141 8.265 32 2HD LYS 3 2HD LYS 3 7.840 9.026 7.631 33 1HE LYS 3 1HE LYS 3 7.903 8.989 10.061 34 2HE LYS 3 2HE LYS 3 8.668 10.476 9.477 35 1HZ LYS 3 1HZ LYS 3 6.642 11.637 9.982 36 2HZ LYS 3 2HZ LYS 3 5.914 10.245 10.485 37 3HZ LYS 3 3HZ LYS 3 7.195 10.857 11.322 38 H ILE 4 H ILE 4 7.405 12.366 2.890 39 HA ILE 4 HA ILE 4 4.992 11.908 1.287 40 HB ILE 4 HB ILE 4 6.220 12.896 -0.546 41 1HG1 ILE 4 1HG1 ILE 4 8.493 13.365 1.444 42 2HG1 ILE 4 2HG1 ILE 4 8.539 12.282 0.043 43 1HG2 ILE 4 1HG2 ILE 4 6.307 14.610 1.973 44 2HG2 ILE 4 2HG2 ILE 4 4.826 14.204 1.080 45 3HG2 ILE 4 3HG2 ILE 4 6.084 15.158 0.301 46 1HD1 ILE 4 1HD1 ILE 4 9.649 14.292 -0.573 47 2HD1 ILE 4 2HD1 ILE 4 8.105 14.248 -1.449 48 3HD1 ILE 4 3HD1 ILE 4 8.306 15.306 -0.029 49 HA PRO 5 HA PRO 5 6.692 7.959 0.025 50 1HB PRO 5 1HB PRO 5 4.734 7.079 -1.614 51 2HB PRO 5 2HB PRO 5 4.468 7.325 0.141 52 1HG PRO 5 1HG PRO 5 3.772 9.211 -2.118 53 2HG PRO 5 2HG PRO 5 2.718 8.665 -0.780 54 1HD PRO 5 1HD PRO 5 4.125 11.035 -0.710 55 2HD PRO 5 2HD PRO 5 3.771 10.068 0.760 56 H GLN 6 H GLN 6 7.866 7.126 -1.622 57 HA GLN 6 HA GLN 6 8.142 8.585 -4.211 58 1HB GLN 6 1HB GLN 6 10.578 8.002 -4.069 59 2HB GLN 6 2HB GLN 6 10.017 9.309 -3.032 60 1HG GLN 6 1HG GLN 6 10.641 6.476 -2.091 61 2HG GLN 6 2HG GLN 6 11.681 7.887 -1.904 62 1HE2 GLN 6 1HE2 GLN 6 10.509 9.859 -0.770 63 2HE2 GLN 6 2HE2 GLN 6 9.348 9.462 0.486 64 H ILE 7 H ILE 7 6.774 7.168 -5.177 65 HA ILE 7 HA ILE 7 6.861 4.337 -4.657 66 HB ILE 7 HB ILE 7 5.325 5.986 -6.658 67 1HG1 ILE 7 1HG1 ILE 7 4.806 6.705 -4.358 68 2HG1 ILE 7 2HG1 ILE 7 3.447 5.865 -5.095 69 1HG2 ILE 7 1HG2 ILE 7 5.249 3.754 -7.423 70 2HG2 ILE 7 2HG2 ILE 7 4.949 3.116 -5.798 71 3HG2 ILE 7 3HG2 ILE 7 3.709 4.085 -6.614 72 1HD1 ILE 7 1HD1 ILE 7 5.398 4.652 -3.089 73 2HD1 ILE 7 2HD1 ILE 7 3.733 5.156 -2.795 74 3HD1 ILE 7 3HD1 ILE 7 4.059 3.785 -3.870 75 H SER 8 H SER 8 8.222 2.947 -5.472 76 HA SER 8 HA SER 8 9.453 3.294 -8.138 77 1HB SER 8 1HB SER 8 10.568 1.152 -7.563 78 2HB SER 8 2HB SER 8 10.808 2.371 -6.302 79 HG SER 8 HG SER 8 9.302 1.347 -5.035 80 H ASP 9 H ASP 9 9.222 1.340 -9.674 81 HA ASP 9 HA ASP 9 6.613 0.996 -10.517 82 1HB ASP 9 1HB ASP 9 8.498 0.496 -11.925 83 2HB ASP 9 2HB ASP 9 8.977 -0.874 -10.902 84 H ALA 10 H ALA 10 8.469 -1.364 -8.533 85 HA ALA 10 HA ALA 10 6.475 -3.317 -8.309 86 1HB ALA 10 1HB ALA 10 8.595 -2.526 -6.259 87 2HB ALA 10 2HB ALA 10 8.804 -3.670 -7.605 88 3HB ALA 10 3HB ALA 10 7.683 -4.051 -6.284 89 H GLU 11 H GLU 11 7.108 -0.508 -6.176 90 HA GLU 11 HA GLU 11 4.974 -1.010 -4.326 91 1HB GLU 11 1HB GLU 11 6.441 1.511 -5.171 92 2HB GLU 11 2HB GLU 11 5.241 1.464 -3.876 93 1HG GLU 11 1HG GLU 11 6.597 -0.107 -2.588 94 2HG GLU 11 2HG GLU 11 7.760 -0.265 -3.913 95 H LEU 12 H LEU 12 5.176 0.870 -7.380 96 HA LEU 12 HA LEU 12 2.694 2.090 -7.255 97 1HB LEU 12 1HB LEU 12 4.620 2.294 -9.033 98 2HB LEU 12 2HB LEU 12 3.838 0.957 -9.853 99 HG LEU 12 HG LEU 12 3.304 3.013 -10.897 100 1HD1 LEU 12 1HD1 LEU 12 0.974 2.869 -11.144 101 2HD1 LEU 12 2HD1 LEU 12 0.726 2.263 -9.508 102 3HD1 LEU 12 3HD1 LEU 12 1.501 1.226 -10.738 103 1HD2 LEU 12 1HD2 LEU 12 3.572 4.575 -9.022 104 2HD2 LEU 12 2HD2 LEU 12 2.049 4.830 -9.883 105 3HD2 LEU 12 3HD2 LEU 12 2.037 4.006 -8.316 106 H GLU 13 H GLU 13 3.524 -1.253 -8.390 107 HA GLU 13 HA GLU 13 0.930 -1.959 -9.281 108 1HB GLU 13 1HB GLU 13 2.973 -3.713 -7.869 109 2HB GLU 13 2HB GLU 13 1.600 -4.293 -8.815 110 1HG GLU 13 1HG GLU 13 4.006 -2.760 -9.891 111 2HG GLU 13 2HG GLU 13 3.594 -4.447 -10.185 112 H VAL 14 H VAL 14 2.302 -2.186 -5.942 113 HA VAL 14 HA VAL 14 -0.101 -3.416 -4.952 114 HB VAL 14 HB VAL 14 0.738 -3.447 -2.912 115 1HG1 VAL 14 1HG1 VAL 14 3.364 -3.063 -4.398 116 2HG1 VAL 14 2HG1 VAL 14 2.327 -4.489 -4.576 117 3HG1 VAL 14 3HG1 VAL 14 3.048 -4.105 -3.001 118 1HG2 VAL 14 1HG2 VAL 14 2.441 -0.976 -3.204 119 2HG2 VAL 14 2HG2 VAL 14 2.329 -2.038 -1.796 120 3HG2 VAL 14 3HG2 VAL 14 0.914 -1.121 -2.304 121 H MET 15 H MET 15 1.053 -0.057 -5.153 122 HA MET 15 HA MET 15 -1.086 1.191 -3.773 123 1HB MET 15 1HB MET 15 0.399 2.244 -6.221 124 2HB MET 15 2HB MET 15 -0.551 3.138 -5.036 125 1HG MET 15 1HG MET 15 1.582 1.668 -3.702 126 2HG MET 15 2HG MET 15 2.187 2.713 -4.979 127 1HE MET 15 1HE MET 15 -1.046 3.437 -2.746 128 2HE MET 15 2HE MET 15 0.122 2.562 -1.714 129 3HE MET 15 3HE MET 15 -0.244 4.282 -1.405 130 H LYS 16 H LYS 16 -0.728 0.363 -7.225 131 HA LYS 16 HA LYS 16 -3.210 1.264 -8.209 132 1HB LYS 16 1HB LYS 16 -1.222 0.576 -9.547 133 2HB LYS 16 2HB LYS 16 -1.597 -1.112 -9.150 134 1HG LYS 16 1HG LYS 16 -3.843 -0.814 -10.207 135 2HG LYS 16 2HG LYS 16 -3.450 0.861 -10.569 136 1HD LYS 16 1HD LYS 16 -3.160 -0.622 -12.543 137 2HD LYS 16 2HD LYS 16 -1.697 0.263 -12.101 138 1HE LYS 16 1HE LYS 16 -1.265 -2.107 -12.757 139 2HE LYS 16 2HE LYS 16 -0.675 -1.714 -11.145 140 1HZ LYS 16 1HZ LYS 16 -2.633 -2.750 -10.242 141 2HZ LYS 16 2HZ LYS 16 -1.806 -3.804 -11.199 142 3HZ LYS 16 3HZ LYS 16 -3.194 -3.104 -11.752 143 H VAL 17 H VAL 17 -2.308 -1.992 -6.895 144 HA VAL 17 HA VAL 17 -4.905 -3.123 -7.146 145 HB VAL 17 HB VAL 17 -2.563 -3.648 -5.292 146 1HG1 VAL 17 1HG1 VAL 17 -5.266 -5.030 -5.241 147 2HG1 VAL 17 2HG1 VAL 17 -4.425 -4.237 -3.893 148 3HG1 VAL 17 3HG1 VAL 17 -3.769 -5.725 -4.568 149 1HG2 VAL 17 1HG2 VAL 17 -2.419 -5.713 -6.610 150 2HG2 VAL 17 2HG2 VAL 17 -2.432 -4.315 -7.695 151 3HG2 VAL 17 3HG2 VAL 17 -3.901 -5.289 -7.487 152 H ILE 18 H ILE 18 -3.456 -1.359 -4.359 153 HA ILE 18 HA ILE 18 -5.737 -1.475 -2.696 154 HB ILE 18 HB ILE 18 -3.515 0.584 -2.867 155 1HG1 ILE 18 1HG1 ILE 18 -3.898 -1.561 -0.765 156 2HG1 ILE 18 2HG1 ILE 18 -3.078 -1.977 -2.269 157 1HG2 ILE 18 1HG2 ILE 18 -4.206 1.197 -0.523 158 2HG2 ILE 18 2HG2 ILE 18 -5.646 0.183 -0.714 159 3HG2 ILE 18 3HG2 ILE 18 -5.417 1.622 -1.724 160 1HD1 ILE 18 1HD1 ILE 18 -1.443 -1.420 -0.597 161 2HD1 ILE 18 2HD1 ILE 18 -2.246 0.117 -0.244 162 3HD1 ILE 18 3HD1 ILE 18 -1.439 -0.125 -1.811 163 H TRP 19 H TRP 19 -4.865 0.974 -5.180 164 HA TRP 19 HA TRP 19 -7.242 2.550 -4.754 165 1HB TRP 19 1HB TRP 19 -5.227 2.428 -7.035 166 2HB TRP 19 2HB TRP 19 -6.551 3.588 -6.948 167 HD1 TRP 19 HD1 TRP 19 -6.446 4.558 -4.044 168 HE1 TRP 19 HE1 TRP 19 -4.491 6.040 -3.176 169 HE3 TRP 19 HE3 TRP 19 -2.850 3.484 -7.566 170 HZ2 TRP 19 HZ2 TRP 19 -1.809 6.511 -3.768 171 HZ3 TRP 19 HZ3 TRP 19 -0.654 4.617 -7.450 172 HH2 TRP 19 HH2 TRP 19 -0.071 6.005 -5.440 173 H LYS 20 H LYS 20 -6.585 -0.257 -6.809 174 HA LYS 20 HA LYS 20 -8.901 0.070 -8.460 175 1HB LYS 20 1HB LYS 20 -7.046 -1.362 -9.127 176 2HB LYS 20 2HB LYS 20 -7.269 -2.391 -7.710 177 1HG LYS 20 1HG LYS 20 -8.146 -3.455 -9.709 178 2HG LYS 20 2HG LYS 20 -9.434 -3.164 -8.534 179 1HD LYS 20 1HD LYS 20 -10.208 -1.196 -9.831 180 2HD LYS 20 2HD LYS 20 -8.825 -1.358 -10.928 181 1HE LYS 20 1HE LYS 20 -10.838 -2.264 -11.965 182 2HE LYS 20 2HE LYS 20 -9.687 -3.577 -11.669 183 1HZ LYS 20 1HZ LYS 20 -11.927 -4.146 -11.043 184 2HZ LYS 20 2HZ LYS 20 -10.946 -4.152 -9.721 185 3HZ LYS 20 3HZ LYS 20 -11.988 -2.900 -9.965 186 H HIS 21 H HIS 21 -8.258 -1.658 -5.388 187 HA HIS 21 HA HIS 21 -11.089 -2.466 -5.088 188 1HB HIS 21 1HB HIS 21 -8.695 -2.598 -3.203 189 2HB HIS 21 2HB HIS 21 -10.328 -3.192 -2.858 190 HD2 HIS 21 HD2 HIS 21 -7.954 -4.064 -5.948 191 HE1 HIS 21 HE1 HIS 21 -9.447 -7.582 -4.138 192 HE2 HIS 21 HE2 HIS 21 -7.985 -6.700 -6.019 193 H SER 22 H SER 22 -12.096 -1.684 -2.735 194 HA SER 22 HA SER 22 -12.308 1.224 -2.920 195 1HB SER 22 1HB SER 22 -13.663 0.709 -0.753 196 2HB SER 22 2HB SER 22 -14.261 0.029 -2.282 197 HG SER 22 HG SER 22 -14.165 -1.574 -0.629 198 H SER 23 H SER 23 -11.235 -1.108 -0.510 199 HA SER 23 HA SER 23 -8.740 0.353 -0.098 200 1HB SER 23 1HB SER 23 -10.621 -0.394 2.200 201 2HB SER 23 2HB SER 23 -8.916 -0.001 2.436 202 HG SER 23 HG SER 23 -10.318 1.791 0.858 203 H ILE 24 H ILE 24 -7.727 -1.780 1.746 204 HA ILE 24 HA ILE 24 -8.869 -4.252 0.733 205 HB ILE 24 HB ILE 24 -7.368 -3.533 -1.104 206 1HG1 ILE 24 1HG1 ILE 24 -6.344 -6.065 0.177 207 2HG1 ILE 24 2HG1 ILE 24 -7.957 -5.922 -0.559 208 1HG2 ILE 24 1HG2 ILE 24 -5.065 -4.090 0.778 209 2HG2 ILE 24 2HG2 ILE 24 -5.646 -2.457 0.387 210 3HG2 ILE 24 3HG2 ILE 24 -5.017 -3.501 -0.899 211 1HD1 ILE 24 1HD1 ILE 24 -6.944 -5.253 -2.709 212 2HD1 ILE 24 2HD1 ILE 24 -6.427 -6.866 -2.189 213 3HD1 ILE 24 3HD1 ILE 24 -5.329 -5.490 -2.020 214 H ASN 25 H ASN 25 -8.367 -6.106 2.033 215 HA ASN 25 HA ASN 25 -7.058 -5.392 4.616 216 1HB ASN 25 1HB ASN 25 -8.131 -7.122 5.659 217 2HB ASN 25 2HB ASN 25 -9.362 -6.385 4.632 218 1HD2 ASN 25 1HD2 ASN 25 -10.735 -8.071 4.132 219 2HD2 ASN 25 2HD2 ASN 25 -10.218 -9.649 3.582 220 H THR 26 H THR 26 -5.410 -6.832 5.561 221 HA THR 26 HA THR 26 -3.398 -7.380 3.872 222 HB THR 26 HB THR 26 -3.684 -9.141 6.303 223 HG1 THR 26 HG1 THR 26 -3.213 -6.356 6.447 224 1HG2 THR 26 1HG2 THR 26 -1.457 -7.380 5.146 225 2HG2 THR 26 2HG2 THR 26 -1.336 -8.300 6.657 226 3HG2 THR 26 3HG2 THR 26 -1.538 -9.144 5.107 227 H ASN 27 H ASN 27 -5.990 -9.794 4.471 228 HA ASN 27 HA ASN 27 -4.392 -11.986 3.355 229 1HB ASN 27 1HB ASN 27 -6.228 -12.643 4.729 230 2HB ASN 27 2HB ASN 27 -7.380 -11.652 3.826 231 1HD2 ASN 27 1HD2 ASN 27 -8.266 -12.432 1.864 232 2HD2 ASN 27 2HD2 ASN 27 -7.923 -14.048 1.280 233 H GLU 28 H GLU 28 -6.965 -9.800 2.184 234 HA GLU 28 HA GLU 28 -7.056 -10.684 -0.515 235 1HB GLU 28 1HB GLU 28 -7.501 -7.954 0.727 236 2HB GLU 28 2HB GLU 28 -7.955 -8.375 -0.930 237 1HG GLU 28 1HG GLU 28 -9.585 -9.978 -0.171 238 2HG GLU 28 2HG GLU 28 -9.065 -9.824 1.510 239 H VAL 29 H VAL 29 -5.110 -8.100 1.056 240 HA VAL 29 HA VAL 29 -3.845 -7.261 -1.316 241 HB VAL 29 HB VAL 29 -3.958 -6.214 1.158 242 1HG1 VAL 29 1HG1 VAL 29 -2.175 -7.728 2.135 243 2HG1 VAL 29 2HG1 VAL 29 -1.033 -7.058 0.972 244 3HG1 VAL 29 3HG1 VAL 29 -1.799 -6.014 2.186 245 1HG2 VAL 29 1HG2 VAL 29 -3.363 -5.058 -0.978 246 2HG2 VAL 29 2HG2 VAL 29 -2.446 -4.508 0.432 247 3HG2 VAL 29 3HG2 VAL 29 -1.690 -5.595 -0.751 248 H ILE 30 H ILE 30 -2.591 -9.563 1.225 249 HA ILE 30 HA ILE 30 -0.205 -10.035 -0.217 250 HB ILE 30 HB ILE 30 -1.636 -11.653 1.908 251 1HG1 ILE 30 1HG1 ILE 30 0.924 -9.983 1.772 252 2HG1 ILE 30 2HG1 ILE 30 -0.599 -9.450 2.492 253 1HG2 ILE 30 1HG2 ILE 30 -0.351 -13.270 0.512 254 2HG2 ILE 30 2HG2 ILE 30 1.091 -12.241 0.654 255 3HG2 ILE 30 3HG2 ILE 30 0.405 -13.047 2.079 256 1HD1 ILE 30 1HD1 ILE 30 -0.313 -11.321 4.177 257 2HD1 ILE 30 2HD1 ILE 30 1.325 -11.561 3.501 258 3HD1 ILE 30 3HD1 ILE 30 0.894 -10.013 4.231 259 H LYS 31 H LYS 31 -3.347 -11.782 -0.374 260 HA LYS 31 HA LYS 31 -2.458 -13.740 -2.234 261 1HB LYS 31 1HB LYS 31 -5.190 -12.489 -1.775 262 2HB LYS 31 2HB LYS 31 -4.920 -13.901 -2.803 263 1HG LYS 31 1HG LYS 31 -4.064 -13.849 0.127 264 2HG LYS 31 2HG LYS 31 -5.687 -14.314 -0.389 265 1HD LYS 31 1HD LYS 31 -4.817 -16.179 -1.688 266 2HD LYS 31 2HD LYS 31 -3.149 -15.645 -1.441 267 1HE LYS 31 1HE LYS 31 -3.709 -17.532 0.036 268 2HE LYS 31 2HE LYS 31 -3.282 -16.083 0.959 269 1HZ LYS 31 1HZ LYS 31 -6.034 -16.953 0.409 270 2HZ LYS 31 2HZ LYS 31 -5.570 -15.696 1.379 271 3HZ LYS 31 3HZ LYS 31 -5.211 -17.239 1.807 272 H GLU 32 H GLU 32 -4.136 -10.600 -2.887 273 HA GLU 32 HA GLU 32 -4.134 -10.828 -5.689 274 1HB GLU 32 1HB GLU 32 -5.464 -9.235 -4.233 275 2HB GLU 32 2HB GLU 32 -3.987 -8.286 -4.051 276 1HG GLU 32 1HG GLU 32 -5.108 -7.227 -5.810 277 2HG GLU 32 2HG GLU 32 -3.997 -8.251 -6.712 278 H LEU 33 H LEU 33 -1.644 -9.203 -3.513 279 HA LEU 33 HA LEU 33 -0.021 -8.245 -5.589 280 1HB LEU 33 1HB LEU 33 0.160 -8.851 -2.629 281 2HB LEU 33 2HB LEU 33 1.574 -8.584 -3.550 282 HG LEU 33 HG LEU 33 1.040 -6.385 -4.193 283 1HD1 LEU 33 1HD1 LEU 33 -1.693 -6.701 -2.896 284 2HD1 LEU 33 2HD1 LEU 33 -1.367 -6.567 -4.636 285 3HD1 LEU 33 3HD1 LEU 33 -1.009 -5.213 -3.556 286 1HD2 LEU 33 1HD2 LEU 33 0.742 -5.334 -1.888 287 2HD2 LEU 33 2HD2 LEU 33 1.972 -6.596 -1.977 288 3HD2 LEU 33 3HD2 LEU 33 0.370 -6.942 -1.274 289 H SER 34 H SER 34 0.105 -11.310 -3.615 290 HA SER 34 HA SER 34 2.382 -12.386 -4.864 291 1HB SER 34 1HB SER 34 -0.039 -13.897 -3.795 292 2HB SER 34 2HB SER 34 1.566 -14.575 -4.131 293 HG SER 34 HG SER 34 0.918 -12.580 -2.220 294 H LYS 35 H LYS 35 -1.067 -12.629 -5.862 295 HA LYS 35 HA LYS 35 -0.627 -14.398 -8.067 296 1HB LYS 35 1HB LYS 35 -2.765 -12.318 -7.465 297 2HB LYS 35 2HB LYS 35 -2.811 -13.369 -8.886 298 1HG LYS 35 1HG LYS 35 -3.053 -15.343 -7.597 299 2HG LYS 35 2HG LYS 35 -2.540 -14.552 -6.105 300 1HD LYS 35 1HD LYS 35 -4.967 -14.931 -6.109 301 2HD LYS 35 2HD LYS 35 -4.569 -13.210 -6.017 302 1HE LYS 35 1HE LYS 35 -5.057 -12.942 -8.434 303 2HE LYS 35 2HE LYS 35 -5.397 -14.681 -8.565 304 1HZ LYS 35 1HZ LYS 35 -6.861 -12.731 -6.926 305 2HZ LYS 35 2HZ LYS 35 -7.374 -13.385 -8.347 306 3HZ LYS 35 3HZ LYS 35 -7.200 -14.344 -7.018 307 H THR 36 H THR 36 -0.803 -10.811 -7.897 308 HA THR 36 HA THR 36 -0.408 -10.522 -10.753 309 HB THR 36 HB THR 36 -0.164 -8.089 -10.181 310 HG1 THR 36 HG1 THR 36 -0.867 -8.968 -7.572 311 1HG2 THR 36 1HG2 THR 36 -2.602 -9.565 -9.066 312 2HG2 THR 36 2HG2 THR 36 -2.347 -9.085 -10.753 313 3HG2 THR 36 3HG2 THR 36 -2.534 -7.846 -9.497 314 H SER 37 H SER 37 1.848 -10.499 -7.986 315 HA SER 37 HA SER 37 4.082 -10.736 -9.885 316 1HB SER 37 1HB SER 37 3.808 -8.517 -7.837 317 2HB SER 37 2HB SER 37 5.350 -8.966 -8.599 318 HG SER 37 HG SER 37 3.284 -8.633 -10.390 319 H THR 38 H THR 38 5.508 -12.264 -9.159 320 HA THR 38 HA THR 38 4.850 -13.762 -6.818 321 HB THR 38 HB THR 38 6.915 -15.028 -7.541 322 HG1 THR 38 HG1 THR 38 7.985 -13.225 -8.398 323 1HG2 THR 38 1HG2 THR 38 4.932 -14.387 -9.783 324 2HG2 THR 38 2HG2 THR 38 5.976 -15.814 -9.666 325 3HG2 THR 38 3HG2 THR 38 4.675 -15.571 -8.484 326 H TRP 39 H TRP 39 5.025 -11.849 -5.317 327 HA TRP 39 HA TRP 39 7.776 -11.542 -4.189 328 1HB TRP 39 1HB TRP 39 5.217 -9.915 -3.899 329 2HB TRP 39 2HB TRP 39 6.717 -9.585 -3.049 330 HD1 TRP 39 HD1 TRP 39 8.692 -9.923 -5.577 331 HE1 TRP 39 HE1 TRP 39 8.749 -8.098 -7.398 332 HE3 TRP 39 HE3 TRP 39 4.147 -7.717 -4.698 333 HZ2 TRP 39 HZ2 TRP 39 7.047 -6.024 -8.376 334 HZ3 TRP 39 HZ3 TRP 39 3.378 -5.863 -6.148 335 HH2 TRP 39 HH2 TRP 39 4.819 -5.020 -7.983 336 H SER 40 H SER 40 8.097 -12.203 -2.040 337 HA SER 40 HA SER 40 6.282 -14.256 -1.146 338 1HB SER 40 1HB SER 40 7.843 -14.594 0.657 339 2HB SER 40 2HB SER 40 8.788 -14.270 -0.796 340 HG SER 40 HG SER 40 9.113 -12.157 -0.048 341 HA PRO 41 HA PRO 41 3.640 -11.976 1.680 342 1HB PRO 41 1HB PRO 41 4.677 -13.894 3.792 343 2HB PRO 41 2HB PRO 41 3.005 -13.314 3.549 344 1HG PRO 41 1HG PRO 41 3.674 -15.736 2.580 345 2HG PRO 41 2HG PRO 41 2.804 -14.601 1.508 346 1HD PRO 41 1HD PRO 41 5.777 -15.168 1.580 347 2HD PRO 41 2HD PRO 41 4.676 -15.057 0.171 348 H LYS 42 H LYS 42 6.919 -12.875 2.875 349 HA LYS 42 HA LYS 42 7.203 -10.791 4.776 350 1HB LYS 42 1HB LYS 42 8.623 -12.948 4.289 351 2HB LYS 42 2HB LYS 42 9.527 -11.919 3.179 352 1HG LYS 42 1HG LYS 42 9.135 -11.559 6.187 353 2HG LYS 42 2HG LYS 42 10.599 -12.081 5.346 354 1HD LYS 42 1HD LYS 42 10.607 -9.773 4.185 355 2HD LYS 42 2HD LYS 42 9.304 -9.323 5.304 356 1HE LYS 42 1HE LYS 42 11.358 -8.507 6.197 357 2HE LYS 42 2HE LYS 42 10.771 -9.813 7.239 358 1HZ LYS 42 1HZ LYS 42 13.118 -9.960 6.797 359 2HZ LYS 42 2HZ LYS 42 12.854 -10.062 5.175 360 3HZ LYS 42 3HZ LYS 42 12.344 -11.271 6.173 361 H THR 43 H THR 43 8.231 -11.016 1.311 362 HA THR 43 HA THR 43 9.301 -8.434 1.021 363 HB THR 43 HB THR 43 7.673 -9.990 -1.031 364 HG1 THR 43 HG1 THR 43 10.426 -10.156 -0.395 365 1HG2 THR 43 1HG2 THR 43 8.196 -7.741 -1.811 366 2HG2 THR 43 2HG2 THR 43 9.908 -7.950 -1.374 367 3HG2 THR 43 3HG2 THR 43 9.189 -8.925 -2.675 368 H ILE 44 H ILE 44 5.927 -9.552 0.545 369 HA ILE 44 HA ILE 44 4.796 -7.055 -0.177 370 HB ILE 44 HB ILE 44 3.635 -9.566 1.037 371 1HG1 ILE 44 1HG1 ILE 44 3.379 -8.381 -1.763 372 2HG1 ILE 44 2HG1 ILE 44 4.680 -9.478 -1.328 373 1HG2 ILE 44 1HG2 ILE 44 2.326 -6.934 0.288 374 2HG2 ILE 44 2HG2 ILE 44 1.425 -8.456 0.220 375 3HG2 ILE 44 3HG2 ILE 44 2.116 -7.904 1.751 376 1HD1 ILE 44 1HD1 ILE 44 1.739 -10.178 -1.258 377 2HD1 ILE 44 2HD1 ILE 44 3.061 -11.230 -0.704 378 3HD1 ILE 44 3HD1 ILE 44 2.960 -10.740 -2.404 379 H GLN 45 H GLN 45 5.029 -8.607 3.053 380 HA GLN 45 HA GLN 45 3.796 -6.500 4.510 381 1HB GLN 45 1HB GLN 45 5.831 -8.607 5.274 382 2HB GLN 45 2HB GLN 45 5.072 -7.510 6.443 383 1HG GLN 45 1HG GLN 45 2.854 -8.312 5.915 384 2HG GLN 45 2HG GLN 45 3.422 -9.253 4.554 385 1HE2 GLN 45 1HE2 GLN 45 2.040 -10.841 6.002 386 2HE2 GLN 45 2HE2 GLN 45 3.013 -11.806 7.100 387 H THR 46 H THR 46 7.190 -6.982 3.495 388 HA THR 46 HA THR 46 8.228 -4.708 4.868 389 HB THR 46 HB THR 46 9.266 -5.875 2.252 390 HG1 THR 46 HG1 THR 46 9.007 -7.472 3.875 391 1HG2 THR 46 1HG2 THR 46 11.443 -5.099 3.115 392 2HG2 THR 46 2HG2 THR 46 10.330 -3.735 2.905 393 3HG2 THR 46 3HG2 THR 46 10.642 -4.386 4.529 394 H MET 47 H MET 47 6.980 -5.066 1.483 395 HA MET 47 HA MET 47 7.327 -2.363 0.698 396 1HB MET 47 1HB MET 47 5.267 -4.449 -0.135 397 2HB MET 47 2HB MET 47 5.412 -2.860 -0.895 398 1HG MET 47 1HG MET 47 7.678 -3.303 -1.591 399 2HG MET 47 2HG MET 47 7.710 -4.842 -0.724 400 1HE MET 47 1HE MET 47 7.901 -5.814 -4.511 401 2HE MET 47 2HE MET 47 8.777 -5.708 -2.967 402 3HE MET 47 3HE MET 47 8.443 -4.232 -3.899 403 H LEU 48 H LEU 48 4.447 -3.942 2.159 404 HA LEU 48 HA LEU 48 2.801 -1.663 2.368 405 1HB LEU 48 1HB LEU 48 3.087 -4.107 4.154 406 2HB LEU 48 2HB LEU 48 1.820 -2.908 4.390 407 HG LEU 48 HG LEU 48 2.183 -4.352 1.731 408 1HD1 LEU 48 1HD1 LEU 48 0.408 -5.183 4.070 409 2HD1 LEU 48 2HD1 LEU 48 0.479 -5.936 2.460 410 3HD1 LEU 48 3HD1 LEU 48 1.869 -6.037 3.532 411 1HD2 LEU 48 1HD2 LEU 48 -0.205 -2.975 3.046 412 2HD2 LEU 48 2HD2 LEU 48 0.745 -2.324 1.693 413 3HD2 LEU 48 3HD2 LEU 48 -0.215 -3.795 1.473 414 H LEU 49 H LEU 49 5.040 -2.987 4.858 415 HA LEU 49 HA LEU 49 4.720 -1.000 6.777 416 1HB LEU 49 1HB LEU 49 5.888 -3.109 7.108 417 2HB LEU 49 2HB LEU 49 7.207 -2.611 6.057 418 HG LEU 49 HG LEU 49 7.638 -2.575 8.510 419 1HD1 LEU 49 1HD1 LEU 49 9.018 -0.663 8.552 420 2HD1 LEU 49 2HD1 LEU 49 9.007 -1.243 6.879 421 3HD1 LEU 49 3HD1 LEU 49 8.067 0.194 7.342 422 1HD2 LEU 49 1HD2 LEU 49 6.822 -0.796 9.923 423 2HD2 LEU 49 2HD2 LEU 49 5.896 -0.080 8.595 424 3HD2 LEU 49 3HD2 LEU 49 5.440 -1.673 9.242 425 H ARG 50 H ARG 50 7.151 -1.071 4.099 426 HA ARG 50 HA ARG 50 8.371 1.398 4.695 427 1HB ARG 50 1HB ARG 50 7.968 -0.097 2.077 428 2HB ARG 50 2HB ARG 50 8.982 1.336 2.219 429 1HG ARG 50 1HG ARG 50 9.439 -1.115 3.971 430 2HG ARG 50 2HG ARG 50 10.118 -0.968 2.349 431 1HD ARG 50 1HD ARG 50 11.308 1.121 3.049 432 2HD ARG 50 2HD ARG 50 10.589 0.979 4.651 433 HE ARG 50 HE ARG 50 12.071 -0.626 5.245 434 1HH1 ARG 50 1HH1 ARG 50 12.178 -0.313 1.731 435 2HH1 ARG 50 2HH1 ARG 50 13.565 -1.351 1.534 436 1HH2 ARG 50 1HH2 ARG 50 13.863 -1.998 5.011 437 2HH2 ARG 50 2HH2 ARG 50 14.533 -2.335 3.439 438 H LEU 51 H LEU 51 5.543 0.777 2.386 439 HA LEU 51 HA LEU 51 5.292 3.452 1.653 440 1HB LEU 51 1HB LEU 51 3.463 1.022 1.803 441 2HB LEU 51 2HB LEU 51 2.993 2.476 1.067 442 HG LEU 51 HG LEU 51 5.487 1.052 0.127 443 1HD1 LEU 51 1HD1 LEU 51 2.647 0.882 -0.971 444 2HD1 LEU 51 2HD1 LEU 51 4.103 0.171 -1.704 445 3HD1 LEU 51 3HD1 LEU 51 3.520 -0.424 -0.139 446 1HD2 LEU 51 1HD2 LEU 51 5.348 3.452 -0.514 447 2HD2 LEU 51 2HD2 LEU 51 5.095 2.409 -1.904 448 3HD2 LEU 51 3HD2 LEU 51 3.702 3.188 -1.133 449 H ILE 52 H ILE 52 3.738 1.584 4.325 450 HA ILE 52 HA ILE 52 2.044 3.681 5.241 451 HB ILE 52 HB ILE 52 3.374 1.351 6.665 452 1HG1 ILE 52 1HG1 ILE 52 0.437 1.729 6.002 453 2HG1 ILE 52 2HG1 ILE 52 1.549 1.051 4.816 454 1HG2 ILE 52 1HG2 ILE 52 2.903 3.062 8.371 455 2HG2 ILE 52 2HG2 ILE 52 1.254 3.262 7.741 456 3HG2 ILE 52 3HG2 ILE 52 1.754 1.744 8.518 457 1HD1 ILE 52 1HD1 ILE 52 0.968 -0.143 7.556 458 2HD1 ILE 52 2HD1 ILE 52 2.188 -0.744 6.419 459 3HD1 ILE 52 3HD1 ILE 52 0.476 -0.759 5.971 460 H LYS 53 H LYS 53 5.381 2.774 6.258 461 HA LYS 53 HA LYS 53 5.800 4.842 8.102 462 1HB LYS 53 1HB LYS 53 7.227 2.815 7.706 463 2HB LYS 53 2HB LYS 53 7.889 3.607 6.264 464 1HG LYS 53 1HG LYS 53 8.691 5.485 7.710 465 2HG LYS 53 2HG LYS 53 8.018 4.659 9.129 466 1HD LYS 53 1HD LYS 53 9.495 2.703 8.694 467 2HD LYS 53 2HD LYS 53 10.181 3.537 7.284 468 1HE LYS 53 1HE LYS 53 11.005 5.362 8.761 469 2HE LYS 53 2HE LYS 53 10.305 4.541 10.171 470 1HZ LYS 53 1HZ LYS 53 12.624 4.090 9.947 471 2HZ LYS 53 2HZ LYS 53 11.761 2.701 9.748 472 3HZ LYS 53 3HZ LYS 53 12.414 3.460 8.439 473 H LYS 54 H LYS 54 6.297 4.834 4.550 474 HA LYS 54 HA LYS 54 7.170 7.623 4.517 475 1HB LYS 54 1HB LYS 54 6.456 5.645 2.326 476 2HB LYS 54 2HB LYS 54 7.118 7.257 2.048 477 1HG LYS 54 1HG LYS 54 8.586 5.133 3.665 478 2HG LYS 54 2HG LYS 54 8.785 5.422 1.932 479 1HD LYS 54 1HD LYS 54 9.332 7.847 2.478 480 2HD LYS 54 2HD LYS 54 9.399 7.381 4.190 481 1HE LYS 54 1HE LYS 54 11.181 5.741 3.684 482 2HE LYS 54 2HE LYS 54 11.073 6.139 1.956 483 1HZ LYS 54 1HZ LYS 54 12.863 7.285 3.006 484 2HZ LYS 54 2HZ LYS 54 11.843 8.010 4.079 485 3HZ LYS 54 3HZ LYS 54 11.734 8.361 2.472 486 H GLY 55 H GLY 55 4.218 6.697 5.388 487 1HA GLY 55 1HA GLY 55 2.250 7.802 5.425 488 2HA GLY 55 2HA GLY 55 3.079 9.195 4.721 489 H ALA 56 H ALA 56 2.927 6.066 3.067 490 HA ALA 56 HA ALA 56 1.534 7.223 0.773 491 1HB ALA 56 1HB ALA 56 3.339 5.405 0.616 492 2HB ALA 56 2HB ALA 56 1.808 4.949 -0.168 493 3HB ALA 56 3HB ALA 56 2.192 4.343 1.441 494 H LEU 57 H LEU 57 0.844 5.015 3.480 495 HA LEU 57 HA LEU 57 -2.050 4.943 2.835 496 1HB LEU 57 1HB LEU 57 -0.334 2.623 3.764 497 2HB LEU 57 2HB LEU 57 -2.047 2.567 3.365 498 HG LEU 57 HG LEU 57 0.214 3.055 1.355 499 1HD1 LEU 57 1HD1 LEU 57 -0.126 0.751 0.690 500 2HD1 LEU 57 2HD1 LEU 57 0.317 0.836 2.402 501 3HD1 LEU 57 3HD1 LEU 57 -1.374 0.544 1.944 502 1HD2 LEU 57 1HD2 LEU 57 -2.777 2.585 0.988 503 2HD2 LEU 57 2HD2 LEU 57 -1.609 2.374 -0.309 504 3HD2 LEU 57 3HD2 LEU 57 -1.801 3.964 0.400 505 H ASN 58 H ASN 58 -3.322 4.437 4.647 506 HA ASN 58 HA ASN 58 -2.195 4.765 7.391 507 1HB ASN 58 1HB ASN 58 -3.409 6.808 6.976 508 2HB ASN 58 2HB ASN 58 -4.674 5.973 6.066 509 1HD2 ASN 58 1HD2 ASN 58 -6.388 4.879 7.186 510 2HD2 ASN 58 2HD2 ASN 58 -6.545 5.025 8.932 511 H HIS 59 H HIS 59 -3.333 3.168 8.864 512 HA HIS 59 HA HIS 59 -5.148 1.334 7.427 513 1HB HIS 59 1HB HIS 59 -3.932 -0.645 8.156 514 2HB HIS 59 2HB HIS 59 -2.919 0.367 7.125 515 HD2 HIS 59 HD2 HIS 59 -0.729 1.550 8.331 516 HE1 HIS 59 HE1 HIS 59 -1.224 -0.327 12.093 517 HE2 HIS 59 HE2 HIS 59 0.354 1.097 10.688 518 H HIS 60 H HIS 60 -6.277 -0.132 8.709 519 HA HIS 60 HA HIS 60 -6.625 0.604 11.583 520 1HB HIS 60 1HB HIS 60 -8.501 1.659 10.499 521 2HB HIS 60 2HB HIS 60 -8.753 0.261 9.437 522 HD2 HIS 60 HD2 HIS 60 -10.875 -1.133 10.255 523 HE1 HIS 60 HE1 HIS 60 -10.134 -0.963 14.417 524 HE2 HIS 60 HE2 HIS 60 -11.614 -2.003 12.606 525 H LYS 61 H LYS 61 -7.200 -1.257 12.868 526 HA LYS 61 HA LYS 61 -6.347 -3.810 11.574 527 1HB LYS 61 1HB LYS 61 -6.293 -3.068 14.506 528 2HB LYS 61 2HB LYS 61 -5.743 -4.576 13.752 529 1HG LYS 61 1HG LYS 61 -4.264 -3.013 12.248 530 2HG LYS 61 2HG LYS 61 -4.563 -1.785 13.479 531 1HD LYS 61 1HD LYS 61 -3.621 -3.278 15.215 532 2HD LYS 61 2HD LYS 61 -3.386 -4.563 14.019 533 1HE LYS 61 1HE LYS 61 -2.025 -1.830 13.963 534 2HE LYS 61 2HE LYS 61 -1.285 -3.348 14.493 535 1HZ LYS 61 1HZ LYS 61 -1.657 -4.215 12.273 536 2HZ LYS 61 2HZ LYS 61 -2.244 -2.757 11.781 537 3HZ LYS 61 3HZ LYS 61 -0.681 -2.891 12.268 538 H GLU 62 H GLU 62 -7.782 -5.323 11.169 539 HA GLU 62 HA GLU 62 -10.389 -5.399 12.629 540 1HB GLU 62 1HB GLU 62 -9.610 -6.039 9.765 541 2HB GLU 62 2HB GLU 62 -11.095 -6.655 10.491 542 1HG GLU 62 1HG GLU 62 -10.412 -3.692 10.447 543 2HG GLU 62 2HG GLU 62 -11.352 -4.500 9.181 544 H GLY 63 H GLY 63 -9.087 -6.463 14.230 545 1HA GLY 63 1HA GLY 63 -8.390 -8.252 15.422 546 2HA GLY 63 2HA GLY 63 -9.575 -9.160 14.486 547 H ARG 64 H ARG 64 -8.797 -10.027 12.378 548 HA ARG 64 HA ARG 64 -6.247 -11.473 12.860 549 1HB ARG 64 1HB ARG 64 -8.456 -11.958 10.840 550 2HB ARG 64 2HB ARG 64 -7.026 -12.967 11.122 551 1HG ARG 64 1HG ARG 64 -7.777 -13.180 13.558 552 2HG ARG 64 2HG ARG 64 -9.306 -12.423 13.078 553 1HD ARG 64 1HD ARG 64 -8.074 -14.964 11.950 554 2HD ARG 64 2HD ARG 64 -9.446 -14.927 13.054 555 HE ARG 64 HE ARG 64 -9.441 -14.503 10.182 556 1HH1 ARG 64 1HH1 ARG 64 -11.174 -13.653 13.136 557 2HH1 ARG 64 2HH1 ARG 64 -12.691 -13.344 12.334 558 1HH2 ARG 64 1HH2 ARG 64 -11.403 -14.093 9.112 559 2HH2 ARG 64 2HH2 ARG 64 -12.816 -13.591 9.998 560 H VAL 65 H VAL 65 -7.586 -8.975 10.748 561 HA VAL 65 HA VAL 65 -5.038 -8.920 9.201 562 HB VAL 65 HB VAL 65 -6.367 -8.423 7.149 563 1HG1 VAL 65 1HG1 VAL 65 -5.425 -10.677 7.526 564 2HG1 VAL 65 2HG1 VAL 65 -6.952 -11.184 8.282 565 3HG1 VAL 65 3HG1 VAL 65 -6.920 -10.711 6.572 566 1HG2 VAL 65 1HG2 VAL 65 -8.768 -9.445 8.743 567 2HG2 VAL 65 2HG2 VAL 65 -8.526 -7.776 8.187 568 3HG2 VAL 65 3HG2 VAL 65 -8.736 -9.085 7.013 569 H PHE 66 H PHE 66 -4.870 -6.740 8.041 570 HA PHE 66 HA PHE 66 -6.414 -4.662 9.468 571 1HB PHE 66 1HB PHE 66 -4.514 -3.216 9.634 572 2HB PHE 66 2HB PHE 66 -4.393 -4.660 10.628 573 HD1 PHE 66 HD1 PHE 66 -2.455 -2.467 8.901 574 HD2 PHE 66 HD2 PHE 66 -3.000 -6.701 9.508 575 HE1 PHE 66 HE1 PHE 66 -0.008 -2.800 8.831 576 HE2 PHE 66 HE2 PHE 66 -0.572 -7.044 9.275 577 HZ PHE 66 HZ PHE 66 0.944 -5.096 8.974 578 H VAL 67 H VAL 67 -7.055 -2.983 8.332 579 HA VAL 67 HA VAL 67 -7.243 -3.447 5.431 580 HB VAL 67 HB VAL 67 -8.858 -1.647 7.268 581 1HG1 VAL 67 1HG1 VAL 67 -10.451 -1.600 5.362 582 2HG1 VAL 67 2HG1 VAL 67 -9.309 -2.541 4.382 583 3HG1 VAL 67 3HG1 VAL 67 -8.893 -0.897 4.914 584 1HG2 VAL 67 1HG2 VAL 67 -10.639 -3.370 7.009 585 2HG2 VAL 67 2HG2 VAL 67 -9.484 -4.424 6.169 586 3HG2 VAL 67 3HG2 VAL 67 -9.235 -4.002 7.875 587 H TYR 68 H TYR 68 -6.147 -2.148 4.047 588 HA TYR 68 HA TYR 68 -4.697 0.211 5.151 589 1HB TYR 68 1HB TYR 68 -4.401 -1.040 2.408 590 2HB TYR 68 2HB TYR 68 -3.331 0.104 3.212 591 HD1 TYR 68 HD1 TYR 68 -1.965 -0.675 5.214 592 HD2 TYR 68 HD2 TYR 68 -4.291 -3.378 2.804 593 HE1 TYR 68 HE1 TYR 68 -1.039 -2.600 6.466 594 HE2 TYR 68 HE2 TYR 68 -3.450 -5.272 4.109 595 HH TYR 68 HH TYR 68 -1.453 -4.857 7.017 596 H THR 69 H THR 69 -5.594 2.134 4.871 597 HA THR 69 HA THR 69 -7.463 2.699 2.626 598 HB THR 69 HB THR 69 -7.933 4.721 3.905 599 HG1 THR 69 HG1 THR 69 -5.810 4.058 5.259 600 1HG2 THR 69 1HG2 THR 69 -9.315 3.635 5.665 601 2HG2 THR 69 2HG2 THR 69 -8.388 2.133 5.478 602 3HG2 THR 69 3HG2 THR 69 -9.396 2.729 4.141 603 HA PRO 70 HA PRO 70 -3.653 4.582 1.258 604 1HB PRO 70 1HB PRO 70 -4.313 5.514 -1.193 605 2HB PRO 70 2HB PRO 70 -4.191 3.772 -0.834 606 1HG PRO 70 1HG PRO 70 -6.647 5.487 -0.874 607 2HG PRO 70 2HG PRO 70 -6.475 3.872 -1.634 608 1HD PRO 70 1HD PRO 70 -7.659 4.275 0.808 609 2HD PRO 70 2HD PRO 70 -6.737 2.796 0.489 610 H ASN 71 H ASN 71 -2.601 6.510 1.478 611 HA ASN 71 HA ASN 71 -4.146 8.770 2.554 612 1HB ASN 71 1HB ASN 71 -1.974 8.045 3.588 613 2HB ASN 71 2HB ASN 71 -1.164 8.382 2.037 614 1HD2 ASN 71 1HD2 ASN 71 -3.536 10.231 4.080 615 2HD2 ASN 71 2HD2 ASN 71 -2.601 11.707 4.010 616 H ILE 72 H ILE 72 -2.397 7.806 -0.295 617 HA ILE 72 HA ILE 72 -2.747 10.448 -1.645 618 HB ILE 72 HB ILE 72 -0.836 9.469 -3.101 619 1HG1 ILE 72 1HG1 ILE 72 0.028 8.003 -0.611 620 2HG1 ILE 72 2HG1 ILE 72 -1.058 7.164 -1.668 621 1HG2 ILE 72 1HG2 ILE 72 0.875 10.202 -1.459 622 2HG2 ILE 72 2HG2 ILE 72 -0.533 11.300 -1.528 623 3HG2 ILE 72 3HG2 ILE 72 -0.348 10.151 -0.173 624 1HD1 ILE 72 1HD1 ILE 72 1.513 8.402 -2.678 625 2HD1 ILE 72 2HD1 ILE 72 0.461 7.250 -3.509 626 3HD1 ILE 72 3HD1 ILE 72 1.383 6.734 -2.079 627 H ASP 73 H ASP 73 -3.118 10.243 -4.007 628 HA ASP 73 HA ASP 73 -4.935 7.952 -4.651 629 1HB ASP 73 1HB ASP 73 -6.122 10.073 -4.499 630 2HB ASP 73 2HB ASP 73 -4.938 10.860 -5.553 631 H GLU 74 H GLU 74 -4.959 7.411 -6.945 632 HA GLU 74 HA GLU 74 -2.649 6.618 -8.169 633 1HB GLU 74 1HB GLU 74 -5.122 7.702 -9.606 634 2HB GLU 74 2HB GLU 74 -3.912 6.587 -10.257 635 1HG GLU 74 1HG GLU 74 -4.542 4.961 -8.439 636 2HG GLU 74 2HG GLU 74 -5.899 6.012 -8.004 637 H SER 75 H SER 75 -4.241 9.773 -8.562 638 HA SER 75 HA SER 75 -2.398 10.797 -10.531 639 1HB SER 75 1HB SER 75 -3.437 12.996 -9.927 640 2HB SER 75 2HB SER 75 -4.623 11.747 -10.340 641 HG SER 75 HG SER 75 -5.158 11.537 -8.206 642 H ASP 76 H ASP 76 -2.861 12.144 -7.296 643 HA ASP 76 HA ASP 76 -0.184 13.213 -7.253 644 1HB ASP 76 1HB ASP 76 -0.746 14.280 -5.260 645 2HB ASP 76 2HB ASP 76 -2.222 14.296 -6.230 646 H TYR 77 H TYR 77 0.117 10.347 -7.506 647 HA TYR 77 HA TYR 77 0.686 9.170 -5.023 648 1HB TYR 77 1HB TYR 77 1.585 7.474 -6.201 649 2HB TYR 77 2HB TYR 77 0.419 8.101 -7.329 650 HD1 TYR 77 HD1 TYR 77 4.052 7.993 -6.451 651 HD2 TYR 77 HD2 TYR 77 1.149 8.696 -9.557 652 HE1 TYR 77 HE1 TYR 77 5.823 7.711 -8.165 653 HE2 TYR 77 HE2 TYR 77 2.916 8.404 -11.262 654 HH TYR 77 HH TYR 77 5.148 8.007 -11.663 655 H ILE 78 H ILE 78 2.577 11.252 -7.206 656 HA ILE 78 HA ILE 78 4.847 11.388 -5.284 657 HB ILE 78 HB ILE 78 4.321 13.024 -7.808 658 1HG1 ILE 78 1HG1 ILE 78 5.942 10.476 -7.407 659 2HG1 ILE 78 2HG1 ILE 78 4.509 10.704 -8.431 660 1HG2 ILE 78 1HG2 ILE 78 6.879 12.579 -6.201 661 2HG2 ILE 78 2HG2 ILE 78 6.666 13.668 -7.590 662 3HG2 ILE 78 3HG2 ILE 78 5.859 14.025 -6.069 663 1HD1 ILE 78 1HD1 ILE 78 6.412 10.689 -9.862 664 2HD1 ILE 78 2HD1 ILE 78 5.788 12.350 -9.812 665 3HD1 ILE 78 3HD1 ILE 78 7.253 11.909 -8.898 666 H GLU 79 H GLU 79 3.753 12.136 -3.446 667 HA GLU 79 HA GLU 79 1.953 14.460 -3.654 668 1HB GLU 79 1HB GLU 79 1.489 12.382 -2.301 669 2HB GLU 79 2HB GLU 79 2.781 12.905 -1.198 670 1HG GLU 79 1HG GLU 79 1.489 15.067 -0.853 671 2HG GLU 79 2HG GLU 79 0.204 14.406 -1.878 672 H VAL 80 H VAL 80 2.469 16.516 -3.008 673 HA VAL 80 HA VAL 80 5.225 17.179 -2.347 674 HB VAL 80 HB VAL 80 4.402 19.478 -2.270 675 1HG1 VAL 80 1HG1 VAL 80 3.325 17.986 -4.702 676 2HG1 VAL 80 2HG1 VAL 80 3.776 19.699 -4.618 677 3HG1 VAL 80 3HG1 VAL 80 5.019 18.449 -4.438 678 1HG2 VAL 80 1HG2 VAL 80 2.148 19.165 -1.315 679 2HG2 VAL 80 2HG2 VAL 80 2.088 20.066 -2.832 680 3HG2 VAL 80 3HG2 VAL 80 1.610 18.362 -2.806 681 H LYS 81 H LYS 81 5.920 18.109 -0.310 682 HA LYS 81 HA LYS 81 4.728 16.808 1.951 683 1HB LYS 81 1HB LYS 81 7.133 17.290 1.794 684 2HB LYS 81 2HB LYS 81 6.813 19.036 1.877 685 1HG LYS 81 1HG LYS 81 5.929 18.839 4.117 686 2HG LYS 81 2HG LYS 81 5.907 17.062 4.013 687 1HD LYS 81 1HD LYS 81 8.448 17.176 3.862 688 2HD LYS 81 2HD LYS 81 8.307 18.902 4.262 689 1HE LYS 81 1HE LYS 81 7.385 16.499 5.916 690 2HE LYS 81 2HE LYS 81 8.663 17.653 6.332 691 1HZ LYS 81 1HZ LYS 81 6.937 19.345 6.474 692 2HZ LYS 81 2HZ LYS 81 6.672 18.108 7.529 693 3HZ LYS 81 3HZ LYS 81 5.767 18.224 6.162 694 H SER 82 H SER 82 3.975 17.920 3.930 695 HA SER 82 HA SER 82 2.963 20.502 4.078 696 1HB SER 82 1HB SER 82 0.959 18.249 3.558 697 2HB SER 82 2HB SER 82 0.541 19.781 4.343 698 HG SER 82 HG SER 82 1.859 19.838 1.855 Start of MODEL 3 1 1H MET 1 1H MET 1 3.494 18.351 -0.140 2 2H MET 1 2H MET 1 3.193 19.356 -1.342 3 3H MET 1 3H MET 1 3.133 17.726 -1.594 4 HA MET 1 HA MET 1 1.355 19.453 0.061 5 1HB MET 1 1HB MET 1 0.552 17.568 -2.187 6 2HB MET 1 2HB MET 1 -0.492 18.697 -1.305 7 1HG MET 1 1HG MET 1 1.761 19.382 -3.212 8 2HG MET 1 2HG MET 1 0.038 19.683 -3.426 9 1HE MET 1 1HE MET 1 1.724 23.247 -3.178 10 2HE MET 1 2HE MET 1 0.934 22.066 -4.249 11 3HE MET 1 3HE MET 1 2.619 21.811 -3.721 12 H LYS 2 H LYS 2 2.921 17.716 1.505 13 HA LYS 2 HA LYS 2 2.915 16.161 3.054 14 1HB LYS 2 1HB LYS 2 1.062 17.633 3.782 15 2HB LYS 2 2HB LYS 2 -0.110 16.505 3.085 16 1HG LYS 2 1HG LYS 2 0.712 14.718 4.594 17 2HG LYS 2 2HG LYS 2 1.936 15.826 5.247 18 1HD LYS 2 1HD LYS 2 0.136 17.361 6.018 19 2HD LYS 2 2HD LYS 2 -1.090 16.234 5.428 20 1HE LYS 2 1HE LYS 2 0.999 15.661 7.592 21 2HE LYS 2 2HE LYS 2 -0.711 16.020 7.874 22 1HZ LYS 2 1HZ LYS 2 -1.267 14.030 6.670 23 2HZ LYS 2 2HZ LYS 2 -0.291 13.694 7.953 24 3HZ LYS 2 3HZ LYS 2 0.329 13.685 6.429 25 H LYS 3 H LYS 3 -0.016 15.169 1.218 26 HA LYS 3 HA LYS 3 0.478 12.323 1.668 27 1HB LYS 3 1HB LYS 3 -1.510 13.757 -0.149 28 2HB LYS 3 2HB LYS 3 -1.562 12.065 0.340 29 1HG LYS 3 1HG LYS 3 -1.969 14.515 2.113 30 2HG LYS 3 2HG LYS 3 -3.179 13.352 1.580 31 1HD LYS 3 1HD LYS 3 -1.816 11.546 2.817 32 2HD LYS 3 2HD LYS 3 -0.923 12.876 3.570 33 1HE LYS 3 1HE LYS 3 -3.941 12.378 3.680 34 2HE LYS 3 2HE LYS 3 -2.792 12.088 4.988 35 1HZ LYS 3 1HZ LYS 3 -2.332 14.453 4.994 36 2HZ LYS 3 2HZ LYS 3 -3.442 14.697 3.800 37 3HZ LYS 3 3HZ LYS 3 -3.929 14.148 5.274 38 H ILE 4 H ILE 4 2.751 12.832 0.684 39 HA ILE 4 HA ILE 4 2.722 12.152 -2.242 40 HB ILE 4 HB ILE 4 4.599 13.691 -2.525 41 1HG1 ILE 4 1HG1 ILE 4 4.108 15.451 -0.258 42 2HG1 ILE 4 2HG1 ILE 4 4.646 13.880 0.335 43 1HG2 ILE 4 1HG2 ILE 4 2.066 15.033 -1.486 44 2HG2 ILE 4 2HG2 ILE 4 3.220 15.698 -2.638 45 3HG2 ILE 4 3HG2 ILE 4 2.288 14.280 -3.079 46 1HD1 ILE 4 1HD1 ILE 4 6.127 15.436 -1.820 47 2HD1 ILE 4 2HD1 ILE 4 6.507 15.479 -0.087 48 3HD1 ILE 4 3HD1 ILE 4 6.666 13.968 -0.998 49 HA PRO 5 HA PRO 5 5.524 9.285 0.149 50 1HB PRO 5 1HB PRO 5 4.489 6.911 -0.741 51 2HB PRO 5 2HB PRO 5 3.955 7.766 0.736 52 1HG PRO 5 1HG PRO 5 2.675 7.868 -2.010 53 2HG PRO 5 2HG PRO 5 1.921 7.613 -0.410 54 1HD PRO 5 1HD PRO 5 1.944 10.054 -1.630 55 2HD PRO 5 2HD PRO 5 2.146 9.917 0.144 56 H GLN 6 H GLN 6 7.402 8.566 -0.954 57 HA GLN 6 HA GLN 6 7.549 9.149 -3.808 58 1HB GLN 6 1HB GLN 6 9.663 7.946 -1.968 59 2HB GLN 6 2HB GLN 6 9.899 8.650 -3.577 60 1HG GLN 6 1HG GLN 6 8.950 10.842 -2.604 61 2HG GLN 6 2HG GLN 6 9.049 10.079 -1.017 62 1HE2 GLN 6 1HE2 GLN 6 10.956 11.264 -3.786 63 2HE2 GLN 6 2HE2 GLN 6 12.481 11.311 -2.906 64 H ILE 7 H ILE 7 5.920 7.606 -4.491 65 HA ILE 7 HA ILE 7 6.273 4.787 -3.981 66 HB ILE 7 HB ILE 7 4.537 6.233 -5.987 67 1HG1 ILE 7 1HG1 ILE 7 3.955 6.924 -3.725 68 2HG1 ILE 7 2HG1 ILE 7 2.683 5.980 -4.480 69 1HG2 ILE 7 1HG2 ILE 7 4.394 3.356 -4.970 70 2HG2 ILE 7 2HG2 ILE 7 3.157 4.164 -5.954 71 3HG2 ILE 7 3HG2 ILE 7 4.773 3.864 -6.600 72 1HD1 ILE 7 1HD1 ILE 7 2.940 5.325 -2.155 73 2HD1 ILE 7 2HD1 ILE 7 4.658 4.944 -2.410 74 3HD1 ILE 7 3HD1 ILE 7 3.394 3.970 -3.180 75 H SER 8 H SER 8 7.736 3.531 -4.849 76 HA SER 8 HA SER 8 9.008 4.018 -7.433 77 1HB SER 8 1HB SER 8 9.194 1.550 -5.651 78 2HB SER 8 2HB SER 8 10.366 2.121 -6.852 79 HG SER 8 HG SER 8 9.671 3.334 -4.372 80 H ASP 9 H ASP 9 9.027 2.188 -9.091 81 HA ASP 9 HA ASP 9 6.564 1.633 -10.157 82 1HB ASP 9 1HB ASP 9 8.584 1.359 -11.420 83 2HB ASP 9 2HB ASP 9 9.128 0.017 -10.395 84 H ALA 10 H ALA 10 8.449 -0.816 -8.288 85 HA ALA 10 HA ALA 10 6.465 -2.793 -8.291 86 1HB ALA 10 1HB ALA 10 8.560 -2.217 -6.143 87 2HB ALA 10 2HB ALA 10 7.661 -3.736 -6.332 88 3HB ALA 10 3HB ALA 10 8.789 -3.215 -7.599 89 H GLU 11 H GLU 11 7.006 -0.181 -5.925 90 HA GLU 11 HA GLU 11 4.975 -0.911 -4.072 91 1HB GLU 11 1HB GLU 11 6.133 1.811 -4.782 92 2HB GLU 11 2HB GLU 11 5.066 1.487 -3.415 93 1HG GLU 11 1HG GLU 11 6.710 -0.043 -2.428 94 2HG GLU 11 2HG GLU 11 7.790 0.164 -3.814 95 H LEU 12 H LEU 12 4.894 1.229 -6.983 96 HA LEU 12 HA LEU 12 2.322 2.178 -6.660 97 1HB LEU 12 1HB LEU 12 3.946 2.908 -8.403 98 2HB LEU 12 2HB LEU 12 3.683 1.431 -9.303 99 HG LEU 12 HG LEU 12 2.568 3.645 -10.014 100 1HD1 LEU 12 1HD1 LEU 12 0.695 2.482 -11.045 101 2HD1 LEU 12 2HD1 LEU 12 2.172 1.506 -11.127 102 3HD1 LEU 12 3HD1 LEU 12 0.905 1.106 -9.952 103 1HD2 LEU 12 1HD2 LEU 12 1.479 4.047 -7.730 104 2HD2 LEU 12 2HD2 LEU 12 0.450 4.230 -9.161 105 3HD2 LEU 12 3HD2 LEU 12 0.325 2.780 -8.161 106 H GLU 13 H GLU 13 3.336 -0.997 -8.050 107 HA GLU 13 HA GLU 13 0.731 -1.790 -8.918 108 1HB GLU 13 1HB GLU 13 2.967 -3.517 -7.798 109 2HB GLU 13 2HB GLU 13 1.598 -4.088 -8.756 110 1HG GLU 13 1HG GLU 13 3.840 -2.258 -9.735 111 2HG GLU 13 2HG GLU 13 3.515 -3.919 -10.237 112 H VAL 14 H VAL 14 2.287 -1.976 -5.679 113 HA VAL 14 HA VAL 14 0.126 -3.595 -4.653 114 HB VAL 14 HB VAL 14 1.104 -3.665 -2.679 115 1HG1 VAL 14 1HG1 VAL 14 3.553 -2.931 -4.317 116 2HG1 VAL 14 2HG1 VAL 14 3.441 -4.072 -2.969 117 3HG1 VAL 14 3HG1 VAL 14 2.647 -4.440 -4.515 118 1HG2 VAL 14 1HG2 VAL 14 2.586 -2.168 -1.550 119 2HG2 VAL 14 2HG2 VAL 14 2.561 -1.027 -2.887 120 3HG2 VAL 14 3HG2 VAL 14 1.083 -1.338 -1.957 121 H MET 15 H MET 15 0.928 -0.107 -4.654 122 HA MET 15 HA MET 15 -1.240 0.827 -3.107 123 1HB MET 15 1HB MET 15 0.079 2.084 -5.544 124 2HB MET 15 2HB MET 15 -0.911 2.935 -4.366 125 1HG MET 15 1HG MET 15 1.592 1.406 -3.517 126 2HG MET 15 2HG MET 15 1.666 2.999 -4.198 127 1HE MET 15 1HE MET 15 -1.072 4.311 -2.551 128 2HE MET 15 2HE MET 15 -0.001 5.135 -1.399 129 3HE MET 15 3HE MET 15 0.460 5.034 -3.116 130 H LYS 16 H LYS 16 -1.003 0.308 -6.643 131 HA LYS 16 HA LYS 16 -3.650 0.919 -7.421 132 1HB LYS 16 1HB LYS 16 -1.643 0.544 -8.889 133 2HB LYS 16 2HB LYS 16 -1.748 -1.187 -8.535 134 1HG LYS 16 1HG LYS 16 -4.177 -1.016 -9.493 135 2HG LYS 16 2HG LYS 16 -3.643 0.535 -10.153 136 1HD LYS 16 1HD LYS 16 -2.405 -2.224 -10.639 137 2HD LYS 16 2HD LYS 16 -3.366 -1.288 -11.793 138 1HE LYS 16 1HE LYS 16 -1.597 0.478 -11.818 139 2HE LYS 16 2HE LYS 16 -0.629 -0.489 -10.686 140 1HZ LYS 16 1HZ LYS 16 -0.486 -2.205 -12.276 141 2HZ LYS 16 2HZ LYS 16 -1.423 -1.375 -13.356 142 3HZ LYS 16 3HZ LYS 16 0.060 -0.798 -12.922 143 H VAL 17 H VAL 17 -2.264 -2.304 -6.384 144 HA VAL 17 HA VAL 17 -4.697 -3.708 -6.643 145 HB VAL 17 HB VAL 17 -2.144 -4.068 -5.085 146 1HG1 VAL 17 1HG1 VAL 17 -3.606 -4.812 -3.395 147 2HG1 VAL 17 2HG1 VAL 17 -3.079 -6.265 -4.250 148 3HG1 VAL 17 3HG1 VAL 17 -4.698 -5.595 -4.559 149 1HG2 VAL 17 1HG2 VAL 17 -2.338 -4.706 -7.478 150 2HG2 VAL 17 2HG2 VAL 17 -3.674 -5.802 -7.070 151 3HG2 VAL 17 3HG2 VAL 17 -2.045 -6.113 -6.444 152 H ILE 18 H ILE 18 -3.411 -1.887 -3.794 153 HA ILE 18 HA ILE 18 -5.638 -2.504 -2.125 154 HB ILE 18 HB ILE 18 -3.991 0.041 -2.072 155 1HG1 ILE 18 1HG1 ILE 18 -3.015 -2.645 -1.712 156 2HG1 ILE 18 2HG1 ILE 18 -2.199 -1.092 -1.526 157 1HG2 ILE 18 1HG2 ILE 18 -6.065 0.100 -0.736 158 2HG2 ILE 18 2HG2 ILE 18 -5.551 -1.342 0.140 159 3HG2 ILE 18 3HG2 ILE 18 -4.628 0.172 0.273 160 1HD1 ILE 18 1HD1 ILE 18 -3.585 -2.683 0.638 161 2HD1 ILE 18 2HD1 ILE 18 -1.862 -2.388 0.432 162 3HD1 ILE 18 3HD1 ILE 18 -2.935 -1.057 0.881 163 H TRP 19 H TRP 19 -5.029 0.399 -4.187 164 HA TRP 19 HA TRP 19 -7.401 1.775 -3.874 165 1HB TRP 19 1HB TRP 19 -5.211 1.451 -5.942 166 2HB TRP 19 2HB TRP 19 -6.509 2.477 -6.314 167 HD1 TRP 19 HD1 TRP 19 -6.489 3.607 -3.069 168 HE1 TRP 19 HE1 TRP 19 -4.773 5.447 -2.531 169 HE3 TRP 19 HE3 TRP 19 -3.358 3.087 -7.109 170 HZ2 TRP 19 HZ2 TRP 19 -2.360 6.475 -3.618 171 HZ3 TRP 19 HZ3 TRP 19 -1.354 4.519 -7.306 172 HH2 TRP 19 HH2 TRP 19 -0.800 6.158 -5.521 173 H LYS 20 H LYS 20 -6.735 -0.995 -6.019 174 HA LYS 20 HA LYS 20 -9.096 -0.691 -7.581 175 1HB LYS 20 1HB LYS 20 -7.188 -2.014 -8.312 176 2HB LYS 20 2HB LYS 20 -7.376 -3.121 -6.952 177 1HG LYS 20 1HG LYS 20 -8.192 -4.117 -9.006 178 2HG LYS 20 2HG LYS 20 -9.515 -3.934 -7.850 179 1HD LYS 20 1HD LYS 20 -10.334 -1.940 -9.049 180 2HD LYS 20 2HD LYS 20 -8.938 -1.999 -10.148 181 1HE LYS 20 1HE LYS 20 -9.702 -4.218 -10.978 182 2HE LYS 20 2HE LYS 20 -11.072 -4.168 -9.850 183 1HZ LYS 20 1HZ LYS 20 -11.697 -3.481 -12.035 184 2HZ LYS 20 2HZ LYS 20 -11.857 -2.223 -10.983 185 3HZ LYS 20 3HZ LYS 20 -10.585 -2.265 -12.031 186 H HIS 21 H HIS 21 -8.528 -2.088 -4.371 187 HA HIS 21 HA HIS 21 -11.271 -3.271 -4.281 188 1HB HIS 21 1HB HIS 21 -8.854 -3.477 -2.445 189 2HB HIS 21 2HB HIS 21 -10.451 -4.160 -2.115 190 HD2 HIS 21 HD2 HIS 21 -8.078 -4.689 -5.276 191 HE1 HIS 21 HE1 HIS 21 -9.367 -8.401 -3.712 192 HE2 HIS 21 HE2 HIS 21 -7.954 -7.312 -5.525 193 H SER 22 H SER 22 -12.246 -2.752 -1.835 194 HA SER 22 HA SER 22 -12.603 0.144 -1.753 195 1HB SER 22 1HB SER 22 -13.831 -0.625 0.416 196 2HB SER 22 2HB SER 22 -14.464 -1.206 -1.139 197 HG SER 22 HG SER 22 -14.211 -2.935 0.364 198 H SER 23 H SER 23 -11.319 -2.327 0.413 199 HA SER 23 HA SER 23 -8.865 -0.781 0.798 200 1HB SER 23 1HB SER 23 -10.555 -1.799 3.139 201 2HB SER 23 2HB SER 23 -8.863 -1.312 3.292 202 HG SER 23 HG SER 23 -10.441 0.504 1.945 203 H ILE 24 H ILE 24 -7.644 -2.978 2.408 204 HA ILE 24 HA ILE 24 -8.706 -5.435 1.266 205 HB ILE 24 HB ILE 24 -7.349 -4.543 -0.575 206 1HG1 ILE 24 1HG1 ILE 24 -6.041 -7.042 0.537 207 2HG1 ILE 24 2HG1 ILE 24 -7.684 -7.018 -0.125 208 1HG2 ILE 24 1HG2 ILE 24 -4.903 -5.024 1.157 209 2HG2 ILE 24 2HG2 ILE 24 -5.661 -3.435 0.990 210 3HG2 ILE 24 3HG2 ILE 24 -5.010 -4.242 -0.442 211 1HD1 ILE 24 1HD1 ILE 24 -6.843 -6.160 -2.278 212 2HD1 ILE 24 2HD1 ILE 24 -5.182 -6.224 -1.666 213 3HD1 ILE 24 3HD1 ILE 24 -6.114 -7.718 -1.855 214 H ASN 25 H ASN 25 -8.057 -7.318 2.394 215 HA ASN 25 HA ASN 25 -6.864 -6.734 5.046 216 1HB ASN 25 1HB ASN 25 -8.028 -8.355 5.926 217 2HB ASN 25 2HB ASN 25 -9.020 -8.310 4.474 218 1HD2 ASN 25 1HD2 ASN 25 -9.038 -10.200 3.187 219 2HD2 ASN 25 2HD2 ASN 25 -8.077 -11.612 3.564 220 H THR 26 H THR 26 -4.925 -7.668 5.722 221 HA THR 26 HA THR 26 -2.958 -7.831 3.856 222 HB THR 26 HB THR 26 -2.884 -9.298 6.525 223 HG1 THR 26 HG1 THR 26 -3.451 -7.095 6.782 224 1HG2 THR 26 1HG2 THR 26 -0.928 -9.839 5.128 225 2HG2 THR 26 2HG2 THR 26 -0.719 -8.126 4.708 226 3HG2 THR 26 3HG2 THR 26 -0.444 -8.680 6.375 227 H ASN 27 H ASN 27 -4.865 -10.720 4.810 228 HA ASN 27 HA ASN 27 -3.112 -12.583 3.485 229 1HB ASN 27 1HB ASN 27 -6.146 -12.740 3.849 230 2HB ASN 27 2HB ASN 27 -5.085 -14.059 3.351 231 1HD2 ASN 27 1HD2 ASN 27 -6.009 -11.956 6.075 232 2HD2 ASN 27 2HD2 ASN 27 -5.244 -12.969 7.299 233 H GLU 28 H GLU 28 -5.996 -10.759 2.325 234 HA GLU 28 HA GLU 28 -5.818 -11.706 -0.369 235 1HB GLU 28 1HB GLU 28 -7.154 -9.315 0.950 236 2HB GLU 28 2HB GLU 28 -7.302 -9.651 -0.777 237 1HG GLU 28 1HG GLU 28 -8.039 -11.720 1.321 238 2HG GLU 28 2HG GLU 28 -9.149 -10.525 0.629 239 H VAL 29 H VAL 29 -4.332 -8.899 1.343 240 HA VAL 29 HA VAL 29 -3.363 -7.752 -1.080 241 HB VAL 29 HB VAL 29 -3.317 -6.883 1.505 242 1HG1 VAL 29 1HG1 VAL 29 -0.375 -7.401 0.816 243 2HG1 VAL 29 2HG1 VAL 29 -0.981 -6.352 2.091 244 3HG1 VAL 29 3HG1 VAL 29 -1.242 -8.086 2.202 245 1HG2 VAL 29 1HG2 VAL 29 -1.474 -5.876 -0.713 246 2HG2 VAL 29 2HG2 VAL 29 -3.210 -5.557 -0.651 247 3HG2 VAL 29 3HG2 VAL 29 -2.157 -4.929 0.622 248 H ILE 30 H ILE 30 -1.691 -9.997 1.220 249 HA ILE 30 HA ILE 30 0.619 -10.267 -0.393 250 HB ILE 30 HB ILE 30 -0.591 -12.225 1.609 251 1HG1 ILE 30 1HG1 ILE 30 1.251 -9.822 1.747 252 2HG1 ILE 30 2HG1 ILE 30 -0.107 -10.234 2.770 253 1HG2 ILE 30 1HG2 ILE 30 1.641 -13.255 1.688 254 2HG2 ILE 30 2HG2 ILE 30 2.247 -12.110 0.477 255 3HG2 ILE 30 3HG2 ILE 30 1.042 -13.339 0.041 256 1HD1 ILE 30 1HD1 ILE 30 1.265 -12.067 3.792 257 2HD1 ILE 30 2HD1 ILE 30 2.659 -11.476 2.844 258 3HD1 ILE 30 3HD1 ILE 30 1.898 -10.427 4.043 259 H LYS 31 H LYS 31 -2.430 -12.190 -0.431 260 HA LYS 31 HA LYS 31 -1.619 -13.986 -2.426 261 1HB LYS 31 1HB LYS 31 -3.640 -14.177 -0.990 262 2HB LYS 31 2HB LYS 31 -4.398 -12.864 -1.892 263 1HG LYS 31 1HG LYS 31 -5.266 -14.975 -2.611 264 2HG LYS 31 2HG LYS 31 -4.371 -14.253 -3.951 265 1HD LYS 31 1HD LYS 31 -2.442 -15.718 -3.522 266 2HD LYS 31 2HD LYS 31 -3.204 -16.361 -2.058 267 1HE LYS 31 1HE LYS 31 -4.265 -16.689 -4.908 268 2HE LYS 31 2HE LYS 31 -3.356 -17.905 -4.000 269 1HZ LYS 31 1HZ LYS 31 -5.672 -18.321 -3.871 270 2HZ LYS 31 2HZ LYS 31 -5.981 -16.828 -3.252 271 3HZ LYS 31 3HZ LYS 31 -5.111 -17.919 -2.375 272 H GLU 32 H GLU 32 -3.466 -10.911 -2.871 273 HA GLU 32 HA GLU 32 -3.653 -11.046 -5.683 274 1HB GLU 32 1HB GLU 32 -4.983 -9.600 -4.066 275 2HB GLU 32 2HB GLU 32 -3.563 -8.559 -3.961 276 1HG GLU 32 1HG GLU 32 -4.883 -7.529 -5.606 277 2HG GLU 32 2HG GLU 32 -3.778 -8.458 -6.614 278 H LEU 33 H LEU 33 -1.220 -9.422 -3.564 279 HA LEU 33 HA LEU 33 0.375 -8.333 -5.675 280 1HB LEU 33 1HB LEU 33 0.877 -9.037 -2.805 281 2HB LEU 33 2HB LEU 33 2.246 -8.770 -3.859 282 HG LEU 33 HG LEU 33 1.640 -6.654 -4.229 283 1HD1 LEU 33 1HD1 LEU 33 -1.050 -6.967 -2.831 284 2HD1 LEU 33 2HD1 LEU 33 -0.781 -6.642 -4.554 285 3HD1 LEU 33 3HD1 LEU 33 -0.368 -5.431 -3.340 286 1HD2 LEU 33 1HD2 LEU 33 2.694 -7.065 -2.107 287 2HD2 LEU 33 2HD2 LEU 33 1.633 -5.664 -1.921 288 3HD2 LEU 33 3HD2 LEU 33 1.108 -7.238 -1.306 289 H SER 34 H SER 34 0.618 -11.505 -3.928 290 HA SER 34 HA SER 34 2.778 -12.481 -5.370 291 1HB SER 34 1HB SER 34 0.441 -14.086 -4.269 292 2HB SER 34 2HB SER 34 2.001 -14.743 -4.788 293 HG SER 34 HG SER 34 1.565 -12.866 -2.702 294 H LYS 35 H LYS 35 -0.695 -12.656 -6.232 295 HA LYS 35 HA LYS 35 -0.377 -14.213 -8.613 296 1HB LYS 35 1HB LYS 35 -2.480 -12.196 -7.728 297 2HB LYS 35 2HB LYS 35 -2.591 -13.131 -9.223 298 1HG LYS 35 1HG LYS 35 -2.700 -15.219 -8.045 299 2HG LYS 35 2HG LYS 35 -2.241 -14.472 -6.516 300 1HD LYS 35 1HD LYS 35 -4.672 -14.962 -6.610 301 2HD LYS 35 2HD LYS 35 -4.318 -13.251 -6.355 302 1HE LYS 35 1HE LYS 35 -6.183 -13.590 -7.935 303 2HE LYS 35 2HE LYS 35 -4.842 -12.728 -8.686 304 1HZ LYS 35 1HZ LYS 35 -5.715 -14.440 -10.097 305 2HZ LYS 35 2HZ LYS 35 -5.405 -15.602 -8.970 306 3HZ LYS 35 3HZ LYS 35 -4.160 -14.793 -9.687 307 H THR 36 H THR 36 -0.529 -10.654 -8.120 308 HA THR 36 HA THR 36 -0.354 -10.104 -10.958 309 HB THR 36 HB THR 36 -0.039 -7.729 -10.164 310 HG1 THR 36 HG1 THR 36 -0.599 -8.859 -7.618 311 1HG2 THR 36 1HG2 THR 36 -2.407 -9.313 -9.041 312 2HG2 THR 36 2HG2 THR 36 -2.268 -8.655 -10.682 313 3HG2 THR 36 3HG2 THR 36 -2.355 -7.557 -9.291 314 H SER 37 H SER 37 2.049 -9.822 -8.306 315 HA SER 37 HA SER 37 4.214 -10.361 -10.230 316 1HB SER 37 1HB SER 37 4.024 -7.820 -8.581 317 2HB SER 37 2HB SER 37 5.523 -8.400 -9.338 318 HG SER 37 HG SER 37 3.370 -8.379 -11.052 319 H THR 38 H THR 38 4.793 -12.226 -9.254 320 HA THR 38 HA THR 38 4.494 -12.809 -6.580 321 HB THR 38 HB THR 38 6.326 -14.279 -8.473 322 HG1 THR 38 HG1 THR 38 3.494 -14.025 -8.523 323 1HG2 THR 38 1HG2 THR 38 5.217 -16.247 -7.477 324 2HG2 THR 38 2HG2 THR 38 4.202 -15.198 -6.467 325 3HG2 THR 38 3HG2 THR 38 5.959 -15.263 -6.203 326 H TRP 39 H TRP 39 5.737 -10.660 -5.874 327 HA TRP 39 HA TRP 39 8.575 -11.105 -5.346 328 1HB TRP 39 1HB TRP 39 6.549 -9.188 -4.119 329 2HB TRP 39 2HB TRP 39 8.298 -9.128 -3.923 330 HD1 TRP 39 HD1 TRP 39 9.608 -8.995 -6.499 331 HE1 TRP 39 HE1 TRP 39 9.158 -7.189 -8.302 332 HE3 TRP 39 HE3 TRP 39 4.878 -7.582 -5.118 333 HZ2 TRP 39 HZ2 TRP 39 7.079 -5.378 -9.002 334 HZ3 TRP 39 HZ3 TRP 39 3.736 -5.738 -6.314 335 HH2 TRP 39 HH2 TRP 39 4.823 -4.660 -8.279 336 H SER 40 H SER 40 9.428 -11.886 -3.324 337 HA SER 40 HA SER 40 7.968 -13.853 -2.037 338 1HB SER 40 1HB SER 40 10.313 -12.288 -0.894 339 2HB SER 40 2HB SER 40 9.886 -13.982 -0.566 340 HG SER 40 HG SER 40 10.236 -14.331 -2.871 341 HA PRO 41 HA PRO 41 5.325 -11.769 0.925 342 1HB PRO 41 1HB PRO 41 6.476 -13.853 2.809 343 2HB PRO 41 2HB PRO 41 4.784 -13.277 2.720 344 1HG PRO 41 1HG PRO 41 5.310 -15.495 1.502 345 2HG PRO 41 2HG PRO 41 4.465 -14.240 0.561 346 1HD PRO 41 1HD PRO 41 7.421 -14.919 0.425 347 2HD PRO 41 2HD PRO 41 6.253 -14.598 -0.897 348 H LYS 42 H LYS 42 8.712 -12.462 1.898 349 HA LYS 42 HA LYS 42 8.902 -10.559 4.003 350 1HB LYS 42 1HB LYS 42 10.543 -12.350 3.492 351 2HB LYS 42 2HB LYS 42 11.056 -11.465 2.041 352 1HG LYS 42 1HG LYS 42 11.678 -9.515 3.519 353 2HG LYS 42 2HG LYS 42 11.249 -10.476 4.931 354 1HD LYS 42 1HD LYS 42 13.431 -11.081 2.872 355 2HD LYS 42 2HD LYS 42 13.683 -10.460 4.504 356 1HE LYS 42 1HE LYS 42 12.634 -13.231 3.754 357 2HE LYS 42 2HE LYS 42 14.208 -12.830 4.443 358 1HZ LYS 42 1HZ LYS 42 12.730 -13.626 6.106 359 2HZ LYS 42 2HZ LYS 42 13.090 -12.046 6.408 360 3HZ LYS 42 3HZ LYS 42 11.623 -12.452 5.776 361 H THR 43 H THR 43 9.480 -10.278 0.452 362 HA THR 43 HA THR 43 10.318 -7.579 0.376 363 HB THR 43 HB THR 43 8.763 -9.125 -1.739 364 HG1 THR 43 HG1 THR 43 11.513 -9.297 -1.094 365 1HG2 THR 43 1HG2 THR 43 10.953 -7.033 -1.979 366 2HG2 THR 43 2HG2 THR 43 10.234 -7.945 -3.321 367 3HG2 THR 43 3HG2 THR 43 9.232 -6.827 -2.382 368 H ILE 44 H ILE 44 7.106 -9.147 -0.092 369 HA ILE 44 HA ILE 44 5.554 -6.849 -0.453 370 HB ILE 44 HB ILE 44 4.860 -9.513 0.844 371 1HG1 ILE 44 1HG1 ILE 44 4.689 -8.411 -1.986 372 2HG1 ILE 44 2HG1 ILE 44 5.736 -9.693 -1.438 373 1HG2 ILE 44 1HG2 ILE 44 3.166 -7.123 0.090 374 2HG2 ILE 44 2HG2 ILE 44 2.481 -8.760 0.157 375 3HG2 ILE 44 3HG2 ILE 44 3.192 -8.045 1.596 376 1HD1 ILE 44 1HD1 ILE 44 3.954 -10.691 -2.653 377 2HD1 ILE 44 2HD1 ILE 44 3.833 -11.158 -0.950 378 3HD1 ILE 44 3HD1 ILE 44 2.727 -9.943 -1.634 379 H GLN 45 H GLN 45 6.211 -8.534 2.662 380 HA GLN 45 HA GLN 45 4.895 -6.637 4.311 381 1HB GLN 45 1HB GLN 45 7.162 -8.575 4.824 382 2HB GLN 45 2HB GLN 45 6.427 -7.593 6.102 383 1HG GLN 45 1HG GLN 45 4.263 -8.562 5.797 384 2HG GLN 45 2HG GLN 45 4.718 -9.360 4.291 385 1HE2 GLN 45 1HE2 GLN 45 6.555 -10.921 4.437 386 2HE2 GLN 45 2HE2 GLN 45 6.604 -11.983 5.854 387 H THR 46 H THR 46 8.277 -6.698 3.108 388 HA THR 46 HA THR 46 9.157 -4.438 4.587 389 HB THR 46 HB THR 46 10.104 -5.339 1.833 390 HG1 THR 46 HG1 THR 46 10.209 -6.972 3.443 391 1HG2 THR 46 1HG2 THR 46 12.235 -4.298 2.534 392 2HG2 THR 46 2HG2 THR 46 11.461 -3.696 4.013 393 3HG2 THR 46 3HG2 THR 46 10.942 -3.092 2.423 394 H MET 47 H MET 47 7.743 -4.614 1.240 395 HA MET 47 HA MET 47 7.784 -1.808 0.777 396 1HB MET 47 1HB MET 47 5.926 -3.981 -0.267 397 2HB MET 47 2HB MET 47 5.878 -2.295 -0.805 398 1HG MET 47 1HG MET 47 8.302 -2.452 -1.424 399 2HG MET 47 2HG MET 47 8.236 -4.188 -1.110 400 1HE MET 47 1HE MET 47 5.449 -5.065 -2.216 401 2HE MET 47 2HE MET 47 5.794 -5.387 -3.923 402 3HE MET 47 3HE MET 47 6.943 -5.921 -2.673 403 H LEU 48 H LEU 48 5.168 -3.870 2.166 404 HA LEU 48 HA LEU 48 3.311 -1.799 2.648 405 1HB LEU 48 1HB LEU 48 3.909 -4.353 4.179 406 2HB LEU 48 2HB LEU 48 2.553 -3.305 4.589 407 HG LEU 48 HG LEU 48 2.892 -4.423 1.777 408 1HD1 LEU 48 1HD1 LEU 48 1.356 -6.225 2.410 409 2HD1 LEU 48 2HD1 LEU 48 1.357 -5.665 4.098 410 3HD1 LEU 48 3HD1 LEU 48 2.836 -6.317 3.366 411 1HD2 LEU 48 1HD2 LEU 48 0.484 -3.391 3.354 412 2HD2 LEU 48 2HD2 LEU 48 1.283 -2.546 2.015 413 3HD2 LEU 48 3HD2 LEU 48 0.425 -4.063 1.716 414 H LEU 49 H LEU 49 5.839 -3.044 4.889 415 HA LEU 49 HA LEU 49 5.450 -1.259 7.009 416 1HB LEU 49 1HB LEU 49 6.805 -3.235 7.088 417 2HB LEU 49 2HB LEU 49 8.001 -2.566 5.984 418 HG LEU 49 HG LEU 49 7.368 -1.106 8.567 419 1HD1 LEU 49 1HD1 LEU 49 7.712 -3.450 9.228 420 2HD1 LEU 49 2HD1 LEU 49 9.096 -2.459 9.711 421 3HD1 LEU 49 3HD1 LEU 49 9.217 -3.513 8.284 422 1HD2 LEU 49 1HD2 LEU 49 9.881 -1.459 6.850 423 2HD2 LEU 49 2HD2 LEU 49 9.843 -0.603 8.399 424 3HD2 LEU 49 3HD2 LEU 49 8.933 0.030 7.029 425 H ARG 50 H ARG 50 7.654 -0.848 4.173 426 HA ARG 50 HA ARG 50 8.625 1.715 4.868 427 1HB ARG 50 1HB ARG 50 8.291 0.354 2.184 428 2HB ARG 50 2HB ARG 50 9.050 1.932 2.434 429 1HG ARG 50 1HG ARG 50 10.582 0.834 4.161 430 2HG ARG 50 2HG ARG 50 9.978 -0.728 3.604 431 1HD ARG 50 1HD ARG 50 10.659 -0.092 1.265 432 2HD ARG 50 2HD ARG 50 11.326 1.410 1.919 433 HE ARG 50 HE ARG 50 12.456 -1.280 2.007 434 1HH1 ARG 50 1HH1 ARG 50 12.484 1.845 3.651 435 2HH1 ARG 50 2HH1 ARG 50 14.060 1.620 4.360 436 1HH2 ARG 50 1HH2 ARG 50 14.497 -1.603 2.941 437 2HH2 ARG 50 2HH2 ARG 50 15.219 -0.384 3.953 438 H LEU 51 H LEU 51 5.755 0.909 2.660 439 HA LEU 51 HA LEU 51 5.114 3.555 2.138 440 1HB LEU 51 1HB LEU 51 3.569 0.942 2.234 441 2HB LEU 51 2HB LEU 51 2.962 2.372 1.558 442 HG LEU 51 HG LEU 51 5.530 1.197 0.490 443 1HD1 LEU 51 1HD1 LEU 51 4.158 0.287 -1.332 444 2HD1 LEU 51 2HD1 LEU 51 3.671 -0.413 0.221 445 3HD1 LEU 51 3HD1 LEU 51 2.677 0.855 -0.528 446 1HD2 LEU 51 1HD2 LEU 51 4.924 2.607 -1.477 447 2HD2 LEU 51 2HD2 LEU 51 3.570 3.284 -0.557 448 3HD2 LEU 51 3HD2 LEU 51 5.247 3.576 -0.046 449 H ILE 52 H ILE 52 4.046 1.360 4.802 450 HA ILE 52 HA ILE 52 2.148 3.157 5.928 451 HB ILE 52 HB ILE 52 3.859 0.979 7.171 452 1HG1 ILE 52 1HG1 ILE 52 0.862 0.955 6.706 453 2HG1 ILE 52 2HG1 ILE 52 1.960 0.514 5.406 454 1HG2 ILE 52 1HG2 ILE 52 3.259 2.533 8.974 455 2HG2 ILE 52 2HG2 ILE 52 1.572 2.564 8.419 456 3HG2 ILE 52 3HG2 ILE 52 2.268 1.084 9.108 457 1HD1 ILE 52 1HD1 ILE 52 1.281 -1.495 6.501 458 2HD1 ILE 52 2HD1 ILE 52 1.722 -0.878 8.103 459 3HD1 ILE 52 3HD1 ILE 52 2.983 -1.232 6.904 460 H LYS 53 H LYS 53 5.675 2.722 6.690 461 HA LYS 53 HA LYS 53 5.782 4.885 8.543 462 1HB LYS 53 1HB LYS 53 7.929 3.645 6.778 463 2HB LYS 53 2HB LYS 53 8.240 4.912 7.979 464 1HG LYS 53 1HG LYS 53 7.235 3.491 9.749 465 2HG LYS 53 2HG LYS 53 7.029 2.177 8.575 466 1HD LYS 53 1HD LYS 53 9.475 2.150 8.168 467 2HD LYS 53 2HD LYS 53 9.703 3.468 9.326 468 1HE LYS 53 1HE LYS 53 8.529 0.728 10.013 469 2HE LYS 53 2HE LYS 53 10.212 1.214 10.286 470 1HZ LYS 53 1HZ LYS 53 8.923 1.461 12.248 471 2HZ LYS 53 2HZ LYS 53 7.851 2.462 11.501 472 3HZ LYS 53 3HZ LYS 53 9.411 2.946 11.726 473 H LYS 54 H LYS 54 6.070 4.880 4.991 474 HA LYS 54 HA LYS 54 6.665 7.716 4.812 475 1HB LYS 54 1HB LYS 54 5.719 5.665 2.788 476 2HB LYS 54 2HB LYS 54 6.175 7.320 2.370 477 1HG LYS 54 1HG LYS 54 8.444 7.008 2.924 478 2HG LYS 54 2HG LYS 54 8.123 5.579 3.902 479 1HD LYS 54 1HD LYS 54 9.190 4.894 1.863 480 2HD LYS 54 2HD LYS 54 7.539 4.266 1.909 481 1HE LYS 54 1HE LYS 54 6.797 6.039 0.350 482 2HE LYS 54 2HE LYS 54 8.438 6.723 0.344 483 1HZ LYS 54 1HZ LYS 54 8.070 5.322 -1.540 484 2HZ LYS 54 2HZ LYS 54 7.705 4.028 -0.587 485 3HZ LYS 54 3HZ LYS 54 9.222 4.666 -0.573 486 H GLY 55 H GLY 55 3.879 6.398 6.028 487 1HA GLY 55 1HA GLY 55 1.835 7.276 6.406 488 2HA GLY 55 2HA GLY 55 2.377 8.797 5.679 489 H ALA 56 H ALA 56 2.575 5.825 3.821 490 HA ALA 56 HA ALA 56 0.875 6.884 1.742 491 1HB ALA 56 1HB ALA 56 1.967 4.090 2.088 492 2HB ALA 56 2HB ALA 56 2.900 5.409 1.367 493 3HB ALA 56 3HB ALA 56 1.428 4.813 0.574 494 H LEU 57 H LEU 57 0.691 3.972 3.830 495 HA LEU 57 HA LEU 57 -2.288 3.835 3.461 496 1HB LEU 57 1HB LEU 57 -0.091 1.760 3.410 497 2HB LEU 57 2HB LEU 57 -1.719 1.319 3.903 498 HG LEU 57 HG LEU 57 -2.650 1.575 1.818 499 1HD1 LEU 57 1HD1 LEU 57 -0.259 3.187 0.842 500 2HD1 LEU 57 2HD1 LEU 57 -1.921 3.787 1.068 501 3HD1 LEU 57 3HD1 LEU 57 -1.588 2.595 -0.169 502 1HD2 LEU 57 1HD2 LEU 57 -1.156 0.309 0.311 503 2HD2 LEU 57 2HD2 LEU 57 -1.022 -0.298 1.983 504 3HD2 LEU 57 3HD2 LEU 57 0.243 0.748 1.303 505 H ASN 58 H ASN 58 -3.402 3.802 5.303 506 HA ASN 58 HA ASN 58 -2.010 3.557 7.948 507 1HB ASN 58 1HB ASN 58 -3.438 5.499 7.871 508 2HB ASN 58 2HB ASN 58 -4.739 4.617 7.063 509 1HD2 ASN 58 1HD2 ASN 58 -6.133 3.211 8.304 510 2HD2 ASN 58 2HD2 ASN 58 -6.004 3.150 10.060 511 H HIS 59 H HIS 59 -3.077 1.835 9.416 512 HA HIS 59 HA HIS 59 -4.751 -0.045 7.890 513 1HB HIS 59 1HB HIS 59 -3.595 -2.006 8.543 514 2HB HIS 59 2HB HIS 59 -2.452 -0.944 7.743 515 HD2 HIS 59 HD2 HIS 59 -0.344 -0.055 9.353 516 HE1 HIS 59 HE1 HIS 59 -1.447 -2.347 12.742 517 HE2 HIS 59 HE2 HIS 59 0.391 -0.887 11.738 518 H HIS 60 H HIS 60 -5.860 -1.527 9.142 519 HA HIS 60 HA HIS 60 -6.551 -0.609 11.907 520 1HB HIS 60 1HB HIS 60 -8.248 0.366 10.643 521 2HB HIS 60 2HB HIS 60 -8.308 -1.042 9.582 522 HD2 HIS 60 HD2 HIS 60 -10.655 -2.281 10.017 523 HE1 HIS 60 HE1 HIS 60 -10.595 -2.154 14.247 524 HE2 HIS 60 HE2 HIS 60 -11.874 -3.035 12.210 525 H LYS 61 H LYS 61 -6.990 -2.321 13.304 526 HA LYS 61 HA LYS 61 -6.249 -5.047 12.386 527 1HB LYS 61 1HB LYS 61 -6.809 -3.905 15.144 528 2HB LYS 61 2HB LYS 61 -6.301 -5.569 14.787 529 1HG LYS 61 1HG LYS 61 -4.235 -4.638 13.672 530 2HG LYS 61 2HG LYS 61 -4.692 -3.025 14.231 531 1HD LYS 61 1HD LYS 61 -4.132 -5.450 16.010 532 2HD LYS 61 2HD LYS 61 -3.015 -4.114 15.691 533 1HE LYS 61 1HE LYS 61 -4.681 -2.520 16.703 534 2HE LYS 61 2HE LYS 61 -5.701 -3.907 17.134 535 1HZ LYS 61 1HZ LYS 61 -2.957 -3.461 18.059 536 2HZ LYS 61 2HZ LYS 61 -4.332 -3.238 18.939 537 3HZ LYS 61 3HZ LYS 61 -3.907 -4.751 18.447 538 H GLU 62 H GLU 62 -8.055 -5.817 11.206 539 HA GLU 62 HA GLU 62 -10.750 -5.297 12.307 540 1HB GLU 62 1HB GLU 62 -10.103 -5.094 9.823 541 2HB GLU 62 2HB GLU 62 -10.033 -6.859 9.810 542 1HG GLU 62 1HG GLU 62 -12.204 -6.335 9.064 543 2HG GLU 62 2HG GLU 62 -12.448 -6.797 10.752 544 H GLY 63 H GLY 63 -10.110 -6.417 14.211 545 1HA GLY 63 1HA GLY 63 -10.433 -8.106 15.699 546 2HA GLY 63 2HA GLY 63 -11.398 -8.933 14.474 547 H ARG 64 H ARG 64 -10.069 -10.040 12.742 548 HA ARG 64 HA ARG 64 -7.978 -11.716 14.074 549 1HB ARG 64 1HB ARG 64 -10.059 -12.803 13.526 550 2HB ARG 64 2HB ARG 64 -9.788 -12.451 11.811 551 1HG ARG 64 1HG ARG 64 -9.113 -14.701 12.552 552 2HG ARG 64 2HG ARG 64 -7.775 -13.848 11.800 553 1HD ARG 64 1HD ARG 64 -7.207 -15.258 13.820 554 2HD ARG 64 2HD ARG 64 -6.798 -13.566 13.940 555 HE ARG 64 HE ARG 64 -8.245 -13.293 15.700 556 1HH1 ARG 64 1HH1 ARG 64 -9.057 -16.317 14.068 557 2HH1 ARG 64 2HH1 ARG 64 -10.202 -16.831 15.277 558 1HH2 ARG 64 1HH2 ARG 64 -9.738 -13.935 17.278 559 2HH2 ARG 64 2HH2 ARG 64 -10.600 -15.443 17.137 560 H VAL 65 H VAL 65 -8.655 -9.667 11.222 561 HA VAL 65 HA VAL 65 -5.886 -10.200 10.225 562 HB VAL 65 HB VAL 65 -6.729 -10.017 7.943 563 1HG1 VAL 65 1HG1 VAL 65 -8.216 -12.202 9.472 564 2HG1 VAL 65 2HG1 VAL 65 -6.501 -12.258 9.020 565 3HG1 VAL 65 3HG1 VAL 65 -7.756 -12.223 7.763 566 1HG2 VAL 65 1HG2 VAL 65 -8.791 -8.692 8.291 567 2HG2 VAL 65 2HG2 VAL 65 -9.539 -10.052 9.151 568 3HG2 VAL 65 3HG2 VAL 65 -9.141 -10.197 7.432 569 H PHE 66 H PHE 66 -4.886 -8.321 9.249 570 HA PHE 66 HA PHE 66 -6.208 -5.814 10.139 571 1HB PHE 66 1HB PHE 66 -4.117 -4.732 10.173 572 2HB PHE 66 2HB PHE 66 -4.209 -6.065 11.300 573 HD1 PHE 66 HD1 PHE 66 -3.176 -8.373 10.566 574 HD2 PHE 66 HD2 PHE 66 -2.055 -4.485 9.062 575 HE1 PHE 66 HE1 PHE 66 -0.940 -9.243 9.979 576 HE2 PHE 66 HE2 PHE 66 0.239 -5.317 8.678 577 HZ PHE 66 HZ PHE 66 0.787 -7.709 9.060 578 H VAL 67 H VAL 67 -6.655 -4.256 8.790 579 HA VAL 67 HA VAL 67 -6.603 -4.855 5.896 580 HB VAL 67 HB VAL 67 -8.553 -3.346 7.683 581 1HG1 VAL 67 1HG1 VAL 67 -9.987 -3.086 5.682 582 2HG1 VAL 67 2HG1 VAL 67 -8.484 -2.173 5.537 583 3HG1 VAL 67 3HG1 VAL 67 -8.680 -3.711 4.662 584 1HG2 VAL 67 1HG2 VAL 67 -10.156 -5.088 7.047 585 2HG2 VAL 67 2HG2 VAL 67 -8.945 -5.867 6.012 586 3HG2 VAL 67 3HG2 VAL 67 -8.731 -5.841 7.774 587 H TYR 68 H TYR 68 -5.868 -3.341 4.470 588 HA TYR 68 HA TYR 68 -4.462 -0.981 5.629 589 1HB TYR 68 1HB TYR 68 -4.341 -2.184 2.854 590 2HB TYR 68 2HB TYR 68 -3.369 -0.838 3.449 591 HD1 TYR 68 HD1 TYR 68 -1.873 -1.269 5.541 592 HD2 TYR 68 HD2 TYR 68 -3.534 -4.391 3.076 593 HE1 TYR 68 HE1 TYR 68 -0.477 -2.964 6.726 594 HE2 TYR 68 HE2 TYR 68 -1.968 -6.004 4.106 595 HH TYR 68 HH TYR 68 -1.001 -6.327 6.313 596 H THR 69 H THR 69 -5.413 0.908 5.554 597 HA THR 69 HA THR 69 -7.586 1.576 3.634 598 HB THR 69 HB THR 69 -7.966 3.396 5.348 599 HG1 THR 69 HG1 THR 69 -5.689 2.816 6.183 600 1HG2 THR 69 1HG2 THR 69 -9.315 1.297 5.343 601 2HG2 THR 69 2HG2 THR 69 -9.055 1.917 6.986 602 3HG2 THR 69 3HG2 THR 69 -8.114 0.529 6.406 603 HA PRO 70 HA PRO 70 -4.106 3.907 1.767 604 1HB PRO 70 1HB PRO 70 -6.495 5.146 0.362 605 2HB PRO 70 2HB PRO 70 -4.904 4.707 -0.327 606 1HG PRO 70 1HG PRO 70 -7.030 3.045 -0.682 607 2HG PRO 70 2HG PRO 70 -5.431 2.382 -0.229 608 1HD PRO 70 1HD PRO 70 -7.823 2.918 1.553 609 2HD PRO 70 2HD PRO 70 -6.741 1.493 1.510 610 H ASN 71 H ASN 71 -3.204 5.804 2.658 611 HA ASN 71 HA ASN 71 -4.995 7.622 4.215 612 1HB ASN 71 1HB ASN 71 -3.226 6.416 5.403 613 2HB ASN 71 2HB ASN 71 -2.012 7.082 4.308 614 1HD2 ASN 71 1HD2 ASN 71 -0.929 8.863 5.001 615 2HD2 ASN 71 2HD2 ASN 71 -1.539 9.955 6.243 616 H ILE 72 H ILE 72 -3.668 7.495 1.194 617 HA ILE 72 HA ILE 72 -3.003 10.393 1.091 618 HB ILE 72 HB ILE 72 -1.537 9.963 -0.731 619 1HG1 ILE 72 1HG1 ILE 72 -2.189 8.230 -2.047 620 2HG1 ILE 72 2HG1 ILE 72 -0.777 7.571 -1.214 621 1HG2 ILE 72 1HG2 ILE 72 0.204 8.783 0.504 622 2HG2 ILE 72 2HG2 ILE 72 -0.998 8.170 1.648 623 3HG2 ILE 72 3HG2 ILE 72 -0.686 9.904 1.531 624 1HD1 ILE 72 1HD1 ILE 72 -2.443 5.859 -1.411 625 2HD1 ILE 72 2HD1 ILE 72 -3.699 6.875 -0.723 626 3HD1 ILE 72 3HD1 ILE 72 -2.348 6.302 0.280 627 H ASP 73 H ASP 73 -3.644 11.715 -0.630 628 HA ASP 73 HA ASP 73 -5.662 10.862 -2.516 629 1HB ASP 73 1HB ASP 73 -6.830 12.893 -1.556 630 2HB ASP 73 2HB ASP 73 -6.921 11.456 -0.527 631 H GLU 74 H GLU 74 -6.189 13.110 -3.621 632 HA GLU 74 HA GLU 74 -5.618 14.805 -4.961 633 1HB GLU 74 1HB GLU 74 -3.790 15.495 -2.622 634 2HB GLU 74 2HB GLU 74 -4.130 16.566 -3.991 635 1HG GLU 74 1HG GLU 74 -6.498 16.631 -3.426 636 2HG GLU 74 2HG GLU 74 -6.281 15.416 -2.159 637 H SER 75 H SER 75 -2.408 14.180 -3.586 638 HA SER 75 HA SER 75 -1.174 14.433 -6.280 639 1HB SER 75 1HB SER 75 0.065 14.061 -3.530 640 2HB SER 75 2HB SER 75 0.930 14.396 -5.046 641 HG SER 75 HG SER 75 -1.108 16.088 -4.030 642 H ASP 76 H ASP 76 -1.655 12.122 -3.624 643 HA ASP 76 HA ASP 76 -1.374 9.919 -3.371 644 1HB ASP 76 1HB ASP 76 -2.342 9.993 -6.260 645 2HB ASP 76 2HB ASP 76 -2.165 8.506 -5.326 646 H TYR 77 H TYR 77 -0.210 10.113 -6.706 647 HA TYR 77 HA TYR 77 2.116 8.362 -6.032 648 1HB TYR 77 1HB TYR 77 0.577 7.560 -7.783 649 2HB TYR 77 2HB TYR 77 0.784 9.058 -8.686 650 HD1 TYR 77 HD1 TYR 77 2.790 9.420 -10.070 651 HD2 TYR 77 HD2 TYR 77 2.481 5.989 -7.498 652 HE1 TYR 77 HE1 TYR 77 5.110 8.760 -10.662 653 HE2 TYR 77 HE2 TYR 77 4.693 5.197 -8.319 654 HH TYR 77 HH TYR 77 6.736 6.236 -8.794 655 H ILE 78 H ILE 78 1.205 11.619 -7.129 656 HA ILE 78 HA ILE 78 3.811 12.087 -8.364 657 HB ILE 78 HB ILE 78 1.647 14.100 -7.677 658 1HG1 ILE 78 1HG1 ILE 78 0.662 12.299 -9.083 659 2HG1 ILE 78 2HG1 ILE 78 0.715 13.871 -9.864 660 1HG2 ILE 78 1HG2 ILE 78 2.662 15.384 -9.554 661 2HG2 ILE 78 2HG2 ILE 78 3.930 14.147 -9.706 662 3HG2 ILE 78 3HG2 ILE 78 3.814 15.114 -8.238 663 1HD1 ILE 78 1HD1 ILE 78 2.782 11.697 -10.385 664 2HD1 ILE 78 2HD1 ILE 78 1.324 11.962 -11.358 665 3HD1 ILE 78 3HD1 ILE 78 2.565 13.218 -11.278 666 H GLU 79 H GLU 79 5.610 12.779 -7.345 667 HA GLU 79 HA GLU 79 5.572 13.362 -4.494 668 1HB GLU 79 1HB GLU 79 7.779 13.355 -6.582 669 2HB GLU 79 2HB GLU 79 8.002 13.601 -4.845 670 1HG GLU 79 1HG GLU 79 7.017 11.389 -4.369 671 2HG GLU 79 2HG GLU 79 6.724 11.112 -6.091 672 H VAL 80 H VAL 80 4.453 15.351 -4.227 673 HA VAL 80 HA VAL 80 5.551 17.782 -5.581 674 HB VAL 80 HB VAL 80 2.922 17.526 -4.311 675 1HG1 VAL 80 1HG1 VAL 80 4.101 19.587 -6.224 676 2HG1 VAL 80 2HG1 VAL 80 3.838 19.833 -4.487 677 3HG1 VAL 80 3HG1 VAL 80 2.453 19.619 -5.572 678 1HG2 VAL 80 1HG2 VAL 80 2.879 16.027 -6.233 679 2HG2 VAL 80 2HG2 VAL 80 1.982 17.491 -6.633 680 3HG2 VAL 80 3HG2 VAL 80 3.632 17.278 -7.254 681 H LYS 81 H LYS 81 6.754 19.086 -4.287 682 HA LYS 81 HA LYS 81 7.383 18.497 -1.624 683 1HB LYS 81 1HB LYS 81 7.630 21.111 -3.165 684 2HB LYS 81 2HB LYS 81 8.422 20.773 -1.619 685 1HG LYS 81 1HG LYS 81 9.622 18.857 -2.617 686 2HG LYS 81 2HG LYS 81 8.866 19.186 -4.188 687 1HD LYS 81 1HD LYS 81 9.917 21.432 -4.244 688 2HD LYS 81 2HD LYS 81 10.618 21.152 -2.643 689 1HE LYS 81 1HE LYS 81 12.308 20.777 -4.363 690 2HE LYS 81 2HE LYS 81 11.951 19.257 -3.527 691 1HZ LYS 81 1HZ LYS 81 12.084 18.997 -5.898 692 2HZ LYS 81 2HZ LYS 81 10.859 20.073 -6.134 693 3HZ LYS 81 3HZ LYS 81 10.566 18.640 -5.372 694 H SER 82 H SER 82 7.193 19.908 0.254 695 HA SER 82 HA SER 82 6.029 20.774 1.961 696 1HB SER 82 1HB SER 82 4.342 22.205 -0.128 697 2HB SER 82 2HB SER 82 4.571 22.650 1.566 698 HG SER 82 HG SER 82 5.954 23.838 0.123 Start of MODEL 4 1 1H MET 1 1H MET 1 7.094 8.074 10.175 2 2H MET 1 2H MET 1 5.543 8.614 9.798 3 3H MET 1 3H MET 1 6.490 7.995 8.630 4 HA MET 1 HA MET 1 7.248 10.383 10.119 5 1HB MET 1 1HB MET 1 7.888 9.326 7.317 6 2HB MET 1 2HB MET 1 8.319 10.943 7.882 7 1HG MET 1 1HG MET 1 10.246 9.579 8.118 8 2HG MET 1 2HG MET 1 9.644 9.988 9.724 9 1HE MET 1 1HE MET 1 10.995 6.624 10.795 10 2HE MET 1 2HE MET 1 11.726 8.033 9.993 11 3HE MET 1 3HE MET 1 10.554 8.266 11.316 12 H LYS 2 H LYS 2 6.804 12.304 8.164 13 HA LYS 2 HA LYS 2 3.950 12.614 8.397 14 1HB LYS 2 1HB LYS 2 4.276 14.722 7.294 15 2HB LYS 2 2HB LYS 2 5.534 14.491 8.507 16 1HG LYS 2 1HG LYS 2 7.142 13.845 6.682 17 2HG LYS 2 2HG LYS 2 5.860 14.130 5.487 18 1HD LYS 2 1HD LYS 2 5.642 16.479 6.310 19 2HD LYS 2 2HD LYS 2 6.996 16.211 7.418 20 1HE LYS 2 1HE LYS 2 7.128 15.985 4.365 21 2HE LYS 2 2HE LYS 2 7.648 17.379 5.309 22 1HZ LYS 2 1HZ LYS 2 9.260 15.980 6.382 23 2HZ LYS 2 2HZ LYS 2 9.459 16.049 4.748 24 3HZ LYS 2 3HZ LYS 2 8.812 14.696 5.441 25 H LYS 3 H LYS 3 2.777 13.417 6.277 26 HA LYS 3 HA LYS 3 2.474 11.098 4.569 27 1HB LYS 3 1HB LYS 3 1.327 13.906 4.318 28 2HB LYS 3 2HB LYS 3 0.751 12.440 3.505 29 1HG LYS 3 1HG LYS 3 0.250 11.456 5.756 30 2HG LYS 3 2HG LYS 3 0.622 13.015 6.496 31 1HD LYS 3 1HD LYS 3 -1.560 12.435 4.434 32 2HD LYS 3 2HD LYS 3 -1.800 12.818 6.147 33 1HE LYS 3 1HE LYS 3 -0.777 14.690 3.963 34 2HE LYS 3 2HE LYS 3 -2.329 14.751 4.797 35 1HZ LYS 3 1HZ LYS 3 -1.162 15.197 6.837 36 2HZ LYS 3 2HZ LYS 3 0.289 15.167 6.052 37 3HZ LYS 3 3HZ LYS 3 -0.818 16.332 5.693 38 H ILE 4 H ILE 4 4.528 10.828 3.484 39 HA ILE 4 HA ILE 4 4.779 12.572 1.138 40 HB ILE 4 HB ILE 4 6.014 13.861 2.740 41 1HG1 ILE 4 1HG1 ILE 4 7.911 12.584 0.728 42 2HG1 ILE 4 2HG1 ILE 4 6.647 13.759 0.336 43 1HG2 ILE 4 1HG2 ILE 4 8.069 11.648 3.067 44 2HG2 ILE 4 2HG2 ILE 4 7.954 13.197 3.904 45 3HG2 ILE 4 3HG2 ILE 4 6.765 11.939 4.232 46 1HD1 ILE 4 1HD1 ILE 4 7.709 15.393 1.885 47 2HD1 ILE 4 2HD1 ILE 4 8.756 14.910 0.538 48 3HD1 ILE 4 3HD1 ILE 4 9.040 14.245 2.155 49 HA PRO 5 HA PRO 5 5.623 8.113 0.403 50 1HB PRO 5 1HB PRO 5 4.038 8.706 -2.009 51 2HB PRO 5 2HB PRO 5 3.954 7.274 -0.942 52 1HG PRO 5 1HG PRO 5 2.045 9.214 -0.892 53 2HG PRO 5 2HG PRO 5 2.617 8.499 0.640 54 1HD PRO 5 1HD PRO 5 3.427 11.138 -0.554 55 2HD PRO 5 2HD PRO 5 3.035 10.704 1.135 56 H GLN 6 H GLN 6 7.189 7.345 -1.048 57 HA GLN 6 HA GLN 6 8.259 9.055 -3.236 58 1HB GLN 6 1HB GLN 6 9.870 7.628 -1.064 59 2HB GLN 6 2HB GLN 6 10.550 8.359 -2.522 60 1HG GLN 6 1HG GLN 6 9.025 9.907 -0.361 61 2HG GLN 6 2HG GLN 6 10.774 9.731 -0.443 62 1HE2 GLN 6 1HE2 GLN 6 7.955 11.152 -2.162 63 2HE2 GLN 6 2HE2 GLN 6 8.932 12.327 -3.033 64 H ILE 7 H ILE 7 7.005 7.771 -4.543 65 HA ILE 7 HA ILE 7 6.973 4.877 -4.206 66 HB ILE 7 HB ILE 7 5.425 6.751 -5.972 67 1HG1 ILE 7 1HG1 ILE 7 4.964 7.143 -3.601 68 2HG1 ILE 7 2HG1 ILE 7 3.600 6.423 -4.419 69 1HG2 ILE 7 1HG2 ILE 7 3.878 4.758 -6.185 70 2HG2 ILE 7 2HG2 ILE 7 5.169 3.765 -5.516 71 3HG2 ILE 7 3HG2 ILE 7 5.405 4.627 -7.048 72 1HD1 ILE 7 1HD1 ILE 7 3.819 5.351 -2.279 73 2HD1 ILE 7 2HD1 ILE 7 4.334 4.157 -3.472 74 3HD1 ILE 7 3HD1 ILE 7 5.542 5.037 -2.513 75 H SER 8 H SER 8 8.098 3.471 -5.248 76 HA SER 8 HA SER 8 9.469 4.103 -7.805 77 1HB SER 8 1HB SER 8 9.465 1.487 -6.239 78 2HB SER 8 2HB SER 8 10.651 2.049 -7.433 79 HG SER 8 HG SER 8 10.134 3.131 -4.851 80 H ASP 9 H ASP 9 9.024 2.558 -9.684 81 HA ASP 9 HA ASP 9 6.365 2.335 -10.357 82 1HB ASP 9 1HB ASP 9 8.115 2.077 -11.984 83 2HB ASP 9 2HB ASP 9 8.647 0.545 -11.262 84 H ALA 10 H ALA 10 8.318 -0.387 -9.068 85 HA ALA 10 HA ALA 10 6.315 -2.322 -8.915 86 1HB ALA 10 1HB ALA 10 8.708 -2.784 -8.558 87 2HB ALA 10 2HB ALA 10 8.665 -1.897 -7.016 88 3HB ALA 10 3HB ALA 10 7.735 -3.398 -7.208 89 H GLU 11 H GLU 11 7.055 0.293 -6.602 90 HA GLU 11 HA GLU 11 5.225 -0.629 -4.538 91 1HB GLU 11 1HB GLU 11 6.549 2.042 -5.138 92 2HB GLU 11 2HB GLU 11 5.451 1.814 -3.793 93 1HG GLU 11 1HG GLU 11 6.909 0.113 -2.822 94 2HG GLU 11 2HG GLU 11 8.011 0.213 -4.207 95 H LEU 12 H LEU 12 5.089 1.766 -7.229 96 HA LEU 12 HA LEU 12 2.545 2.731 -6.714 97 1HB LEU 12 1HB LEU 12 4.400 3.240 -8.647 98 2HB LEU 12 2HB LEU 12 3.297 2.268 -9.612 99 HG LEU 12 HG LEU 12 2.759 4.875 -8.161 100 1HD1 LEU 12 1HD1 LEU 12 3.866 4.993 -10.365 101 2HD1 LEU 12 2HD1 LEU 12 2.513 4.094 -11.088 102 3HD1 LEU 12 3HD1 LEU 12 2.245 5.711 -10.400 103 1HD2 LEU 12 1HD2 LEU 12 0.688 3.078 -9.463 104 2HD2 LEU 12 2HD2 LEU 12 0.433 4.787 -9.052 105 3HD2 LEU 12 3HD2 LEU 12 0.748 3.625 -7.763 106 H GLU 13 H GLU 13 3.453 -0.146 -8.697 107 HA GLU 13 HA GLU 13 0.942 -0.955 -9.617 108 1HB GLU 13 1HB GLU 13 3.166 -2.667 -8.445 109 2HB GLU 13 2HB GLU 13 1.829 -3.303 -9.401 110 1HG GLU 13 1HG GLU 13 3.856 -1.277 -10.467 111 2HG GLU 13 2HG GLU 13 3.894 -3.011 -10.754 112 H VAL 14 H VAL 14 2.367 -1.542 -6.397 113 HA VAL 14 HA VAL 14 0.219 -3.141 -5.358 114 HB VAL 14 HB VAL 14 2.342 -1.409 -4.007 115 1HG1 VAL 14 1HG1 VAL 14 0.552 -1.486 -2.484 116 2HG1 VAL 14 2HG1 VAL 14 1.842 -2.564 -1.955 117 3HG1 VAL 14 3HG1 VAL 14 0.368 -3.244 -2.711 118 1HG2 VAL 14 1HG2 VAL 14 3.219 -3.263 -5.333 119 2HG2 VAL 14 2HG2 VAL 14 3.459 -3.512 -3.590 120 3HG2 VAL 14 3HG2 VAL 14 2.168 -4.374 -4.448 121 H MET 15 H MET 15 0.951 0.352 -5.143 122 HA MET 15 HA MET 15 -1.286 1.095 -3.584 123 1HB MET 15 1HB MET 15 -0.325 2.825 -5.878 124 2HB MET 15 2HB MET 15 -1.043 3.297 -4.333 125 1HG MET 15 1HG MET 15 1.030 2.580 -3.191 126 2HG MET 15 2HG MET 15 1.684 2.063 -4.718 127 1HE MET 15 1HE MET 15 -0.077 5.079 -3.055 128 2HE MET 15 2HE MET 15 1.463 4.859 -2.197 129 3HE MET 15 3HE MET 15 1.197 6.327 -3.172 130 H LYS 16 H LYS 16 -0.974 1.028 -7.139 131 HA LYS 16 HA LYS 16 -3.628 1.731 -7.861 132 1HB LYS 16 1HB LYS 16 -1.687 1.716 -9.360 133 2HB LYS 16 2HB LYS 16 -1.534 -0.042 -9.192 134 1HG LYS 16 1HG LYS 16 -3.569 -0.425 -10.412 135 2HG LYS 16 2HG LYS 16 -4.001 1.298 -10.360 136 1HD LYS 16 1HD LYS 16 -3.097 0.561 -12.575 137 2HD LYS 16 2HD LYS 16 -2.182 1.887 -11.840 138 1HE LYS 16 1HE LYS 16 -0.411 0.367 -11.129 139 2HE LYS 16 2HE LYS 16 -1.347 -1.049 -11.653 140 1HZ LYS 16 1HZ LYS 16 -0.339 1.088 -13.397 141 2HZ LYS 16 2HZ LYS 16 -1.125 -0.279 -13.887 142 3HZ LYS 16 3HZ LYS 16 0.364 -0.385 -13.178 143 H VAL 17 H VAL 17 -2.247 -1.584 -7.279 144 HA VAL 17 HA VAL 17 -4.694 -2.950 -7.778 145 HB VAL 17 HB VAL 17 -2.239 -3.571 -6.108 146 1HG1 VAL 17 1HG1 VAL 17 -4.755 -5.255 -6.315 147 2HG1 VAL 17 2HG1 VAL 17 -3.970 -4.683 -4.824 148 3HG1 VAL 17 3HG1 VAL 17 -3.165 -5.887 -5.830 149 1HG2 VAL 17 1HG2 VAL 17 -3.513 -4.918 -8.530 150 2HG2 VAL 17 2HG2 VAL 17 -1.942 -5.305 -7.808 151 3HG2 VAL 17 3HG2 VAL 17 -2.182 -3.744 -8.614 152 H ILE 18 H ILE 18 -3.365 -1.754 -4.653 153 HA ILE 18 HA ILE 18 -5.574 -2.461 -3.053 154 HB ILE 18 HB ILE 18 -3.572 -0.174 -2.783 155 1HG1 ILE 18 1HG1 ILE 18 -3.709 -3.025 -1.733 156 2HG1 ILE 18 2HG1 ILE 18 -2.522 -2.370 -2.805 157 1HG2 ILE 18 1HG2 ILE 18 -4.272 -0.122 -0.380 158 2HG2 ILE 18 2HG2 ILE 18 -5.609 -1.224 -0.785 159 3HG2 ILE 18 3HG2 ILE 18 -5.537 0.396 -1.480 160 1HD1 ILE 18 1HD1 ILE 18 -1.777 -0.793 -0.984 161 2HD1 ILE 18 2HD1 ILE 18 -2.805 -1.742 0.133 162 3HD1 ILE 18 3HD1 ILE 18 -1.460 -2.516 -0.712 163 H TRP 19 H TRP 19 -5.007 0.582 -4.874 164 HA TRP 19 HA TRP 19 -7.262 1.973 -4.040 165 1HB TRP 19 1HB TRP 19 -5.184 2.062 -6.201 166 2HB TRP 19 2HB TRP 19 -6.559 2.978 -6.520 167 HD1 TRP 19 HD1 TRP 19 -6.844 4.028 -3.315 168 HE1 TRP 19 HE1 TRP 19 -5.208 5.905 -2.533 169 HE3 TRP 19 HE3 TRP 19 -3.207 3.639 -6.933 170 HZ2 TRP 19 HZ2 TRP 19 -2.704 6.889 -3.230 171 HZ3 TRP 19 HZ3 TRP 19 -1.208 5.084 -6.822 172 HH2 TRP 19 HH2 TRP 19 -0.911 6.658 -4.899 173 H LYS 20 H LYS 20 -7.228 -0.817 -6.149 174 HA LYS 20 HA LYS 20 -9.693 -0.011 -7.530 175 1HB LYS 20 1HB LYS 20 -8.585 -2.812 -7.121 176 2HB LYS 20 2HB LYS 20 -9.813 -2.293 -8.278 177 1HG LYS 20 1HG LYS 20 -6.855 -1.672 -8.297 178 2HG LYS 20 2HG LYS 20 -7.775 -2.611 -9.471 179 1HD LYS 20 1HD LYS 20 -9.043 -0.505 -10.085 180 2HD LYS 20 2HD LYS 20 -7.972 0.401 -8.988 181 1HE LYS 20 1HE LYS 20 -6.000 -0.377 -10.275 182 2HE LYS 20 2HE LYS 20 -7.078 -1.185 -11.431 183 1HZ LYS 20 1HZ LYS 20 -7.025 1.694 -10.842 184 2HZ LYS 20 2HZ LYS 20 -6.417 0.971 -12.191 185 3HZ LYS 20 3HZ LYS 20 -8.040 0.956 -11.910 186 H HIS 21 H HIS 21 -8.833 -1.409 -4.420 187 HA HIS 21 HA HIS 21 -11.601 -2.357 -3.937 188 1HB HIS 21 1HB HIS 21 -9.427 -3.688 -3.425 189 2HB HIS 21 2HB HIS 21 -9.206 -2.592 -2.098 190 HD2 HIS 21 HD2 HIS 21 -9.742 -5.832 -1.772 191 HE1 HIS 21 HE1 HIS 21 -13.544 -4.709 -0.310 192 HE2 HIS 21 HE2 HIS 21 -11.824 -6.612 -0.414 193 H SER 22 H SER 22 -12.403 -1.759 -1.701 194 HA SER 22 HA SER 22 -12.742 1.131 -1.516 195 1HB SER 22 1HB SER 22 -13.961 0.441 0.623 196 2HB SER 22 2HB SER 22 -14.555 -0.328 -0.859 197 HG SER 22 HG SER 22 -13.353 -2.210 -0.303 198 H SER 23 H SER 23 -11.362 -1.289 0.611 199 HA SER 23 HA SER 23 -8.947 0.275 1.096 200 1HB SER 23 1HB SER 23 -10.726 -0.892 3.308 201 2HB SER 23 2HB SER 23 -9.057 -0.385 3.586 202 HG SER 23 HG SER 23 -10.691 1.439 2.266 203 H ILE 24 H ILE 24 -7.744 -2.051 2.578 204 HA ILE 24 HA ILE 24 -8.942 -4.411 1.304 205 HB ILE 24 HB ILE 24 -7.507 -3.474 -0.482 206 1HG1 ILE 24 1HG1 ILE 24 -6.262 -6.074 0.393 207 2HG1 ILE 24 2HG1 ILE 24 -7.975 -5.995 -0.051 208 1HG2 ILE 24 1HG2 ILE 24 -5.124 -3.464 -0.254 209 2HG2 ILE 24 2HG2 ILE 24 -5.183 -4.204 1.350 210 3HG2 ILE 24 3HG2 ILE 24 -5.761 -2.540 1.106 211 1HD1 ILE 24 1HD1 ILE 24 -7.465 -5.122 -2.252 212 2HD1 ILE 24 2HD1 ILE 24 -6.557 -6.620 -1.976 213 3HD1 ILE 24 3HD1 ILE 24 -5.740 -5.050 -1.885 214 H ASN 25 H ASN 25 -8.418 -6.411 2.290 215 HA ASN 25 HA ASN 25 -7.312 -6.053 5.038 216 1HB ASN 25 1HB ASN 25 -8.494 -8.511 3.744 217 2HB ASN 25 2HB ASN 25 -7.966 -8.315 5.437 218 1HD2 ASN 25 1HD2 ASN 25 -10.355 -6.910 3.081 219 2HD2 ASN 25 2HD2 ASN 25 -11.576 -6.688 4.328 220 H THR 26 H THR 26 -5.371 -7.101 5.743 221 HA THR 26 HA THR 26 -3.381 -7.191 3.805 222 HB THR 26 HB THR 26 -3.302 -8.686 6.463 223 HG1 THR 26 HG1 THR 26 -3.740 -6.433 6.677 224 1HG2 THR 26 1HG2 THR 26 -1.422 -9.342 5.024 225 2HG2 THR 26 2HG2 THR 26 -0.832 -8.202 6.243 226 3HG2 THR 26 3HG2 THR 26 -1.125 -7.649 4.580 227 H ASN 27 H ASN 27 -5.360 -10.009 4.856 228 HA ASN 27 HA ASN 27 -3.776 -11.926 3.451 229 1HB ASN 27 1HB ASN 27 -5.719 -13.366 3.563 230 2HB ASN 27 2HB ASN 27 -5.438 -12.593 5.126 231 1HD2 ASN 27 1HD2 ASN 27 -7.969 -13.793 4.044 232 2HD2 ASN 27 2HD2 ASN 27 -9.127 -12.479 4.085 233 H GLU 28 H GLU 28 -6.648 -10.000 2.469 234 HA GLU 28 HA GLU 28 -6.882 -10.872 -0.212 235 1HB GLU 28 1HB GLU 28 -7.369 -8.152 1.062 236 2HB GLU 28 2HB GLU 28 -7.745 -8.481 -0.612 237 1HG GLU 28 1HG GLU 28 -9.343 -10.242 0.102 238 2HG GLU 28 2HG GLU 28 -8.966 -9.858 1.795 239 H VAL 29 H VAL 29 -4.920 -8.177 1.144 240 HA VAL 29 HA VAL 29 -3.857 -7.387 -1.340 241 HB VAL 29 HB VAL 29 -3.748 -6.401 1.247 242 1HG1 VAL 29 1HG1 VAL 29 -1.694 -7.620 1.915 243 2HG1 VAL 29 2HG1 VAL 29 -1.457 -5.887 1.769 244 3HG1 VAL 29 3HG1 VAL 29 -0.848 -6.958 0.499 245 1HG2 VAL 29 1HG2 VAL 29 -2.017 -5.465 -1.067 246 2HG2 VAL 29 2HG2 VAL 29 -2.654 -4.495 0.278 247 3HG2 VAL 29 3HG2 VAL 29 -3.757 -5.179 -0.925 248 H ILE 30 H ILE 30 -2.331 -9.560 1.119 249 HA ILE 30 HA ILE 30 -0.038 -10.019 -0.484 250 HB ILE 30 HB ILE 30 -1.232 -11.789 1.682 251 1HG1 ILE 30 1HG1 ILE 30 0.619 -9.400 1.598 252 2HG1 ILE 30 2HG1 ILE 30 -0.661 -9.784 2.734 253 1HG2 ILE 30 1HG2 ILE 30 0.999 -12.857 1.742 254 2HG2 ILE 30 2HG2 ILE 30 1.521 -11.856 0.367 255 3HG2 ILE 30 3HG2 ILE 30 0.257 -13.085 0.175 256 1HD1 ILE 30 1HD1 ILE 30 0.836 -11.584 3.703 257 2HD1 ILE 30 2HD1 ILE 30 1.428 -9.920 3.884 258 3HD1 ILE 30 3HD1 ILE 30 2.131 -10.956 2.644 259 H LYS 31 H LYS 31 -3.154 -11.842 -0.314 260 HA LYS 31 HA LYS 31 -2.389 -13.844 -2.173 261 1HB LYS 31 1HB LYS 31 -5.080 -12.570 -1.557 262 2HB LYS 31 2HB LYS 31 -4.900 -13.934 -2.663 263 1HG LYS 31 1HG LYS 31 -3.922 -14.024 0.224 264 2HG LYS 31 2HG LYS 31 -5.554 -14.484 -0.281 265 1HD LYS 31 1HD LYS 31 -4.588 -16.207 -1.817 266 2HD LYS 31 2HD LYS 31 -2.960 -15.750 -1.300 267 1HE LYS 31 1HE LYS 31 -3.628 -17.739 -0.104 268 2HE LYS 31 2HE LYS 31 -3.499 -16.392 1.037 269 1HZ LYS 31 1HZ LYS 31 -5.995 -17.405 -0.143 270 2HZ LYS 31 2HZ LYS 31 -5.460 -17.713 1.384 271 3HZ LYS 31 3HZ LYS 31 -5.877 -16.179 0.953 272 H GLU 32 H GLU 32 -4.057 -10.687 -2.827 273 HA GLU 32 HA GLU 32 -4.186 -10.995 -5.585 274 1HB GLU 32 1HB GLU 32 -5.275 -9.187 -4.121 275 2HB GLU 32 2HB GLU 32 -3.726 -8.357 -4.125 276 1HG GLU 32 1HG GLU 32 -5.155 -7.432 -5.832 277 2HG GLU 32 2HG GLU 32 -3.830 -8.268 -6.648 278 H LEU 33 H LEU 33 -1.588 -9.259 -3.714 279 HA LEU 33 HA LEU 33 -0.112 -8.766 -6.130 280 1HB LEU 33 1HB LEU 33 0.641 -8.578 -3.205 281 2HB LEU 33 2HB LEU 33 1.831 -8.406 -4.499 282 HG LEU 33 HG LEU 33 1.248 -6.232 -3.931 283 1HD1 LEU 33 1HD1 LEU 33 0.516 -5.273 -5.967 284 2HD1 LEU 33 2HD1 LEU 33 1.281 -6.800 -6.430 285 3HD1 LEU 33 3HD1 LEU 33 -0.491 -6.654 -6.382 286 1HD2 LEU 33 1HD2 LEU 33 -0.799 -6.627 -2.689 287 2HD2 LEU 33 2HD2 LEU 33 -1.698 -6.927 -4.192 288 3HD2 LEU 33 3HD2 LEU 33 -1.022 -5.320 -3.866 289 H SER 34 H SER 34 0.116 -11.490 -3.787 290 HA SER 34 HA SER 34 2.442 -12.594 -5.038 291 1HB SER 34 1HB SER 34 0.205 -14.079 -3.598 292 2HB SER 34 2HB SER 34 1.846 -14.670 -3.928 293 HG SER 34 HG SER 34 1.091 -12.490 -2.276 294 H LYS 35 H LYS 35 -1.063 -12.944 -5.720 295 HA LYS 35 HA LYS 35 -0.850 -15.028 -7.656 296 1HB LYS 35 1HB LYS 35 -2.931 -14.229 -6.460 297 2HB LYS 35 2HB LYS 35 -2.907 -12.796 -7.503 298 1HG LYS 35 1HG LYS 35 -3.130 -14.246 -9.491 299 2HG LYS 35 2HG LYS 35 -3.013 -15.685 -8.485 300 1HD LYS 35 1HD LYS 35 -5.362 -15.170 -9.130 301 2HD LYS 35 2HD LYS 35 -5.102 -15.253 -7.386 302 1HE LYS 35 1HE LYS 35 -6.597 -13.378 -8.029 303 2HE LYS 35 2HE LYS 35 -5.154 -12.822 -7.183 304 1HZ LYS 35 1HZ LYS 35 -4.204 -12.331 -9.358 305 2HZ LYS 35 2HZ LYS 35 -5.630 -12.734 -10.081 306 3HZ LYS 35 3HZ LYS 35 -5.557 -11.456 -9.032 307 H THR 36 H THR 36 -0.994 -11.470 -7.973 308 HA THR 36 HA THR 36 -0.844 -11.602 -10.880 309 HB THR 36 HB THR 36 -0.968 -9.141 -10.695 310 HG1 THR 36 HG1 THR 36 -1.175 -9.542 -7.898 311 1HG2 THR 36 1HG2 THR 36 -2.940 -10.637 -8.881 312 2HG2 THR 36 2HG2 THR 36 -3.215 -9.073 -9.652 313 3HG2 THR 36 3HG2 THR 36 -3.035 -10.538 -10.643 314 H SER 37 H SER 37 1.472 -10.874 -8.283 315 HA SER 37 HA SER 37 3.589 -10.289 -10.309 316 1HB SER 37 1HB SER 37 3.322 -9.142 -7.510 317 2HB SER 37 2HB SER 37 4.420 -8.624 -8.805 318 HG SER 37 HG SER 37 1.568 -8.472 -8.857 319 H THR 38 H THR 38 5.510 -11.456 -10.058 320 HA THR 38 HA THR 38 5.572 -13.661 -8.180 321 HB THR 38 HB THR 38 7.815 -13.991 -9.299 322 HG1 THR 38 HG1 THR 38 8.198 -11.805 -9.709 323 1HG2 THR 38 1HG2 THR 38 5.481 -13.519 -11.222 324 2HG2 THR 38 2HG2 THR 38 5.753 -14.993 -10.267 325 3HG2 THR 38 3HG2 THR 38 6.915 -14.517 -11.520 326 H TRP 39 H TRP 39 5.286 -12.021 -6.331 327 HA TRP 39 HA TRP 39 7.920 -11.161 -5.217 328 1HB TRP 39 1HB TRP 39 5.132 -9.931 -5.078 329 2HB TRP 39 2HB TRP 39 6.473 -9.413 -4.087 330 HD1 TRP 39 HD1 TRP 39 8.521 -9.562 -6.791 331 HE1 TRP 39 HE1 TRP 39 8.456 -7.536 -8.377 332 HE3 TRP 39 HE3 TRP 39 4.062 -7.509 -5.332 333 HZ2 TRP 39 HZ2 TRP 39 6.723 -5.331 -8.935 334 HZ3 TRP 39 HZ3 TRP 39 3.237 -5.442 -6.416 335 HH2 TRP 39 HH2 TRP 39 4.562 -4.357 -8.220 336 H SER 40 H SER 40 8.129 -11.562 -2.936 337 HA SER 40 HA SER 40 6.501 -13.867 -2.078 338 1HB SER 40 1HB SER 40 8.152 -14.135 -0.347 339 2HB SER 40 2HB SER 40 9.018 -13.782 -1.841 340 HG SER 40 HG SER 40 9.279 -11.658 -1.138 341 HA PRO 41 HA PRO 41 3.945 -11.580 0.797 342 1HB PRO 41 1HB PRO 41 5.037 -13.246 3.055 343 2HB PRO 41 2HB PRO 41 3.348 -12.878 2.670 344 1HG PRO 41 1HG PRO 41 4.337 -15.307 2.001 345 2HG PRO 41 2HG PRO 41 3.309 -14.410 0.844 346 1HD PRO 41 1HD PRO 41 6.319 -14.616 0.881 347 2HD PRO 41 2HD PRO 41 5.191 -14.776 -0.502 348 H LYS 42 H LYS 42 7.305 -12.335 1.875 349 HA LYS 42 HA LYS 42 7.595 -10.097 3.617 350 1HB LYS 42 1HB LYS 42 9.731 -11.566 2.022 351 2HB LYS 42 2HB LYS 42 10.008 -10.509 3.402 352 1HG LYS 42 1HG LYS 42 8.575 -13.204 3.391 353 2HG LYS 42 2HG LYS 42 10.139 -12.838 4.094 354 1HD LYS 42 1HD LYS 42 7.407 -11.853 5.055 355 2HD LYS 42 2HD LYS 42 8.453 -13.026 5.841 356 1HE LYS 42 1HE LYS 42 9.049 -10.046 5.501 357 2HE LYS 42 2HE LYS 42 8.594 -10.880 6.988 358 1HZ LYS 42 1HZ LYS 42 11.046 -11.354 5.449 359 2HZ LYS 42 2HZ LYS 42 10.932 -10.534 6.872 360 3HZ LYS 42 3HZ LYS 42 10.614 -12.151 6.827 361 H THR 43 H THR 43 8.312 -10.490 0.107 362 HA THR 43 HA THR 43 9.376 -7.909 -0.346 363 HB THR 43 HB THR 43 7.527 -9.443 -2.206 364 HG1 THR 43 HG1 THR 43 10.311 -9.767 -1.877 365 1HG2 THR 43 1HG2 THR 43 9.843 -7.551 -2.778 366 2HG2 THR 43 2HG2 THR 43 8.941 -8.476 -3.995 367 3HG2 THR 43 3HG2 THR 43 8.118 -7.223 -3.054 368 H ILE 44 H ILE 44 5.986 -9.078 -0.508 369 HA ILE 44 HA ILE 44 4.746 -6.600 -1.129 370 HB ILE 44 HB ILE 44 3.787 -9.142 0.208 371 1HG1 ILE 44 1HG1 ILE 44 3.080 -8.012 -2.517 372 2HG1 ILE 44 2HG1 ILE 44 4.567 -8.928 -2.296 373 1HG2 ILE 44 1HG2 ILE 44 2.302 -7.468 1.058 374 2HG2 ILE 44 2HG2 ILE 44 2.202 -6.649 -0.516 375 3HG2 ILE 44 3HG2 ILE 44 1.464 -8.244 -0.285 376 1HD1 ILE 44 1HD1 ILE 44 3.326 -10.876 -1.459 377 2HD1 ILE 44 2HD1 ILE 44 2.872 -10.418 -3.106 378 3HD1 ILE 44 3HD1 ILE 44 1.798 -10.026 -1.753 379 H GLN 45 H GLN 45 5.383 -8.128 2.040 380 HA GLN 45 HA GLN 45 4.289 -6.069 3.660 381 1HB GLN 45 1HB GLN 45 6.419 -8.147 4.180 382 2HB GLN 45 2HB GLN 45 5.769 -7.065 5.422 383 1HG GLN 45 1HG GLN 45 3.513 -7.919 5.120 384 2HG GLN 45 2HG GLN 45 3.960 -8.842 3.713 385 1HE2 GLN 45 1HE2 GLN 45 5.011 -8.526 7.162 386 2HE2 GLN 45 2HE2 GLN 45 5.222 -10.254 7.387 387 H THR 46 H THR 46 7.521 -6.392 2.156 388 HA THR 46 HA THR 46 8.657 -4.139 3.500 389 HB THR 46 HB THR 46 9.343 -5.132 0.702 390 HG1 THR 46 HG1 THR 46 9.411 -6.787 2.338 391 1HG2 THR 46 1HG2 THR 46 11.578 -4.263 1.260 392 2HG2 THR 46 2HG2 THR 46 10.963 -3.638 2.802 393 3HG2 THR 46 3HG2 THR 46 10.374 -2.962 1.266 394 H MET 47 H MET 47 6.856 -4.415 0.374 395 HA MET 47 HA MET 47 6.957 -1.639 -0.290 396 1HB MET 47 1HB MET 47 4.767 -3.601 -0.993 397 2HB MET 47 2HB MET 47 5.076 -2.015 -1.714 398 1HG MET 47 1HG MET 47 6.784 -4.507 -1.901 399 2HG MET 47 2HG MET 47 6.002 -3.562 -3.166 400 1HE MET 47 1HE MET 47 8.937 -4.684 -3.415 401 2HE MET 47 2HE MET 47 9.708 -3.276 -4.184 402 3HE MET 47 3HE MET 47 8.067 -3.765 -4.670 403 H LEU 48 H LEU 48 4.455 -3.514 1.483 404 HA LEU 48 HA LEU 48 2.736 -1.363 2.120 405 1HB LEU 48 1HB LEU 48 3.413 -3.892 3.659 406 2HB LEU 48 2HB LEU 48 2.111 -2.806 4.134 407 HG LEU 48 HG LEU 48 2.204 -4.025 1.343 408 1HD1 LEU 48 1HD1 LEU 48 2.249 -5.870 2.994 409 2HD1 LEU 48 2HD1 LEU 48 0.845 -5.172 3.817 410 3HD1 LEU 48 3HD1 LEU 48 0.715 -5.781 2.151 411 1HD2 LEU 48 1HD2 LEU 48 0.648 -2.123 1.637 412 2HD2 LEU 48 2HD2 LEU 48 -0.257 -3.636 1.484 413 3HD2 LEU 48 3HD2 LEU 48 -0.041 -2.893 3.079 414 H LEU 49 H LEU 49 5.541 -2.624 3.977 415 HA LEU 49 HA LEU 49 5.418 -0.862 6.137 416 1HB LEU 49 1HB LEU 49 6.798 -2.838 6.079 417 2HB LEU 49 2HB LEU 49 7.814 -2.184 4.802 418 HG LEU 49 HG LEU 49 8.772 -2.241 7.094 419 1HD1 LEU 49 1HD1 LEU 49 10.020 -0.249 6.925 420 2HD1 LEU 49 2HD1 LEU 49 8.773 0.590 5.999 421 3HD1 LEU 49 3HD1 LEU 49 9.661 -0.766 5.272 422 1HD2 LEU 49 1HD2 LEU 49 6.753 -1.528 8.343 423 2HD2 LEU 49 2HD2 LEU 49 8.196 -0.578 8.747 424 3HD2 LEU 49 3HD2 LEU 49 6.948 0.119 7.701 425 H ARG 50 H ARG 50 7.205 -0.433 2.996 426 HA ARG 50 HA ARG 50 8.299 2.096 3.545 427 1HB ARG 50 1HB ARG 50 7.246 0.975 0.913 428 2HB ARG 50 2HB ARG 50 8.238 2.410 1.085 429 1HG ARG 50 1HG ARG 50 9.440 0.075 2.440 430 2HG ARG 50 2HG ARG 50 9.111 -0.241 0.736 431 1HD ARG 50 1HD ARG 50 10.713 2.120 1.798 432 2HD ARG 50 2HD ARG 50 11.372 0.623 1.102 433 HE ARG 50 HE ARG 50 9.493 1.869 -0.696 434 1HH1 ARG 50 1HH1 ARG 50 12.823 2.108 0.463 435 2HH1 ARG 50 2HH1 ARG 50 13.416 2.907 -0.968 436 1HH2 ARG 50 1HH2 ARG 50 10.241 2.966 -2.554 437 2HH2 ARG 50 2HH2 ARG 50 11.922 3.379 -2.725 438 H LEU 51 H LEU 51 5.205 1.482 1.697 439 HA LEU 51 HA LEU 51 4.227 4.025 1.596 440 1HB LEU 51 1HB LEU 51 3.064 1.231 1.789 441 2HB LEU 51 2HB LEU 51 1.985 2.615 1.704 442 HG LEU 51 HG LEU 51 2.786 3.325 -0.325 443 1HD1 LEU 51 1HD1 LEU 51 5.080 1.394 -0.431 444 2HD1 LEU 51 2HD1 LEU 51 4.510 2.452 -1.724 445 3HD1 LEU 51 3HD1 LEU 51 5.167 3.166 -0.266 446 1HD2 LEU 51 1HD2 LEU 51 2.400 1.329 -1.821 447 2HD2 LEU 51 2HD2 LEU 51 1.262 1.380 -0.459 448 3HD2 LEU 51 3HD2 LEU 51 2.654 0.276 -0.421 449 H ILE 52 H ILE 52 3.609 1.714 4.318 450 HA ILE 52 HA ILE 52 1.969 3.528 5.771 451 HB ILE 52 HB ILE 52 3.674 1.185 6.664 452 1HG1 ILE 52 1HG1 ILE 52 0.648 1.339 6.427 453 2HG1 ILE 52 2HG1 ILE 52 1.637 0.914 5.037 454 1HG2 ILE 52 1HG2 ILE 52 1.565 2.741 8.229 455 2HG2 ILE 52 2HG2 ILE 52 2.265 1.191 8.738 456 3HG2 ILE 52 3HG2 ILE 52 3.291 2.617 8.628 457 1HD1 ILE 52 1HD1 ILE 52 1.448 -0.638 7.639 458 2HD1 ILE 52 2HD1 ILE 52 2.682 -0.945 6.396 459 3HD1 ILE 52 3HD1 ILE 52 0.969 -1.126 6.002 460 H LYS 53 H LYS 53 5.487 2.842 6.077 461 HA LYS 53 HA LYS 53 6.065 4.639 8.152 462 1HB LYS 53 1HB LYS 53 7.531 2.862 7.272 463 2HB LYS 53 2HB LYS 53 7.851 3.840 5.827 464 1HG LYS 53 1HG LYS 53 8.766 5.635 7.245 465 2HG LYS 53 2HG LYS 53 8.443 4.694 8.708 466 1HD LYS 53 1HD LYS 53 10.264 3.736 6.451 467 2HD LYS 53 2HD LYS 53 10.838 4.663 7.847 468 1HE LYS 53 1HE LYS 53 10.001 2.911 9.391 469 2HE LYS 53 2HE LYS 53 9.447 1.948 8.013 470 1HZ LYS 53 1HZ LYS 53 11.566 1.235 8.788 471 2HZ LYS 53 2HZ LYS 53 11.705 1.833 7.260 472 3HZ LYS 53 3HZ LYS 53 12.223 2.726 8.545 473 H LYS 54 H LYS 54 5.884 5.234 4.625 474 HA LYS 54 HA LYS 54 6.601 8.062 4.923 475 1HB LYS 54 1HB LYS 54 5.593 6.462 2.557 476 2HB LYS 54 2HB LYS 54 6.266 8.103 2.512 477 1HG LYS 54 1HG LYS 54 8.452 7.358 3.179 478 2HG LYS 54 2HG LYS 54 7.875 5.717 3.510 479 1HD LYS 54 1HD LYS 54 7.171 5.523 1.100 480 2HD LYS 54 2HD LYS 54 7.944 7.105 0.815 481 1HE LYS 54 1HE LYS 54 10.124 6.218 1.377 482 2HE LYS 54 2HE LYS 54 9.421 4.691 1.944 483 1HZ LYS 54 1HZ LYS 54 8.740 4.196 -0.253 484 2HZ LYS 54 2HZ LYS 54 10.349 4.521 -0.245 485 3HZ LYS 54 3HZ LYS 54 9.290 5.627 -0.846 486 H GLY 55 H GLY 55 3.822 6.650 5.918 487 1HA GLY 55 1HA GLY 55 1.772 7.458 6.385 488 2HA GLY 55 2HA GLY 55 2.323 9.063 5.890 489 H ALA 56 H ALA 56 2.423 6.334 3.659 490 HA ALA 56 HA ALA 56 0.625 7.681 1.805 491 1HB ALA 56 1HB ALA 56 1.814 4.898 1.531 492 2HB ALA 56 2HB ALA 56 1.285 5.981 0.242 493 3HB ALA 56 3HB ALA 56 2.749 6.352 1.177 494 H LEU 57 H LEU 57 0.616 4.779 3.857 495 HA LEU 57 HA LEU 57 -2.315 4.360 3.381 496 1HB LEU 57 1HB LEU 57 0.008 2.500 3.185 497 2HB LEU 57 2HB LEU 57 -1.308 1.927 4.190 498 HG LEU 57 HG LEU 57 -2.912 2.078 2.424 499 1HD1 LEU 57 1HD1 LEU 57 -2.285 2.522 0.080 500 2HD1 LEU 57 2HD1 LEU 57 -0.652 3.005 0.586 501 3HD1 LEU 57 3HD1 LEU 57 -2.060 3.973 1.051 502 1HD2 LEU 57 1HD2 LEU 57 -0.381 0.698 1.423 503 2HD2 LEU 57 2HD2 LEU 57 -2.070 0.254 1.095 504 3HD2 LEU 57 3HD2 LEU 57 -1.399 0.063 2.724 505 H ASN 58 H ASN 58 -3.500 4.077 5.165 506 HA ASN 58 HA ASN 58 -2.194 4.125 7.869 507 1HB ASN 58 1HB ASN 58 -3.589 6.069 7.568 508 2HB ASN 58 2HB ASN 58 -4.885 5.138 6.826 509 1HD2 ASN 58 1HD2 ASN 58 -6.318 3.863 8.146 510 2HD2 ASN 58 2HD2 ASN 58 -6.256 3.979 9.902 511 H HIS 59 H HIS 59 -3.170 2.446 9.369 512 HA HIS 59 HA HIS 59 -4.961 0.564 8.034 513 1HB HIS 59 1HB HIS 59 -3.734 -1.411 8.507 514 2HB HIS 59 2HB HIS 59 -2.692 -0.323 7.612 515 HD2 HIS 59 HD2 HIS 59 -0.434 0.581 9.023 516 HE1 HIS 59 HE1 HIS 59 -1.112 -1.880 12.405 517 HE2 HIS 59 HE2 HIS 59 0.576 -0.336 11.272 518 H HIS 60 H HIS 60 -5.905 -0.985 9.391 519 HA HIS 60 HA HIS 60 -6.034 -0.343 12.269 520 1HB HIS 60 1HB HIS 60 -8.419 -0.069 12.326 521 2HB HIS 60 2HB HIS 60 -7.728 1.142 11.244 522 HD2 HIS 60 HD2 HIS 60 -8.370 0.834 8.533 523 HE1 HIS 60 HE1 HIS 60 -11.283 -2.172 9.188 524 HE2 HIS 60 HE2 HIS 60 -10.360 -0.523 7.471 525 H LYS 61 H LYS 61 -6.846 -2.099 13.526 526 HA LYS 61 HA LYS 61 -6.389 -4.706 12.253 527 1HB LYS 61 1HB LYS 61 -6.935 -3.895 15.121 528 2HB LYS 61 2HB LYS 61 -6.614 -5.541 14.545 529 1HG LYS 61 1HG LYS 61 -4.384 -4.849 13.723 530 2HG LYS 61 2HG LYS 61 -4.705 -3.180 14.205 531 1HD LYS 61 1HD LYS 61 -3.297 -4.210 15.861 532 2HD LYS 61 2HD LYS 61 -4.882 -3.889 16.582 533 1HE LYS 61 1HE LYS 61 -5.502 -6.270 16.349 534 2HE LYS 61 2HE LYS 61 -3.995 -6.601 15.471 535 1HZ LYS 61 1HZ LYS 61 -2.800 -6.009 17.449 536 2HZ LYS 61 2HZ LYS 61 -4.204 -5.692 18.254 537 3HZ LYS 61 3HZ LYS 61 -3.867 -7.226 17.756 538 H GLU 62 H GLU 62 -8.143 -5.467 11.057 539 HA GLU 62 HA GLU 62 -10.885 -4.907 12.015 540 1HB GLU 62 1HB GLU 62 -10.040 -4.700 9.587 541 2HB GLU 62 2HB GLU 62 -10.093 -6.463 9.529 542 1HG GLU 62 1HG GLU 62 -12.409 -4.631 10.163 543 2HG GLU 62 2HG GLU 62 -12.119 -5.425 8.613 544 H GLY 63 H GLY 63 -10.343 -6.074 13.958 545 1HA GLY 63 1HA GLY 63 -10.780 -7.821 15.366 546 2HA GLY 63 2HA GLY 63 -11.530 -8.683 14.020 547 H ARG 64 H ARG 64 -9.904 -9.593 12.416 548 HA ARG 64 HA ARG 64 -7.778 -11.138 13.894 549 1HB ARG 64 1HB ARG 64 -9.807 -11.922 11.853 550 2HB ARG 64 2HB ARG 64 -8.186 -12.608 11.745 551 1HG ARG 64 1HG ARG 64 -9.351 -14.108 13.010 552 2HG ARG 64 2HG ARG 64 -8.304 -13.310 14.155 553 1HD ARG 64 1HD ARG 64 -11.259 -12.613 13.769 554 2HD ARG 64 2HD ARG 64 -10.654 -13.804 14.942 555 HE ARG 64 HE ARG 64 -9.255 -11.350 15.292 556 1HH1 ARG 64 1HH1 ARG 64 -12.413 -12.790 15.939 557 2HH1 ARG 64 2HH1 ARG 64 -12.798 -11.683 17.230 558 1HH2 ARG 64 1HH2 ARG 64 -9.752 -9.875 16.833 559 2HH2 ARG 64 2HH2 ARG 64 -11.204 -9.999 17.809 560 H VAL 65 H VAL 65 -8.583 -9.603 10.731 561 HA VAL 65 HA VAL 65 -5.673 -9.639 10.021 562 HB VAL 65 HB VAL 65 -6.511 -9.250 7.697 563 1HG1 VAL 65 1HG1 VAL 65 -7.096 -11.581 7.255 564 2HG1 VAL 65 2HG1 VAL 65 -7.427 -11.852 8.979 565 3HG1 VAL 65 3HG1 VAL 65 -5.776 -11.474 8.433 566 1HG2 VAL 65 1HG2 VAL 65 -8.815 -9.828 7.108 567 2HG2 VAL 65 2HG2 VAL 65 -8.817 -8.450 8.218 568 3HG2 VAL 65 3HG2 VAL 65 -9.243 -10.071 8.804 569 H PHE 66 H PHE 66 -4.748 -7.647 9.307 570 HA PHE 66 HA PHE 66 -6.323 -5.283 10.168 571 1HB PHE 66 1HB PHE 66 -4.293 -4.024 10.139 572 2HB PHE 66 2HB PHE 66 -4.288 -5.333 11.299 573 HD1 PHE 66 HD1 PHE 66 -3.094 -7.560 10.685 574 HD2 PHE 66 HD2 PHE 66 -2.293 -3.700 8.927 575 HE1 PHE 66 HE1 PHE 66 -0.804 -8.293 10.114 576 HE2 PHE 66 HE2 PHE 66 0.051 -4.383 8.542 577 HZ PHE 66 HZ PHE 66 0.785 -6.695 9.063 578 H VAL 67 H VAL 67 -6.735 -3.612 8.847 579 HA VAL 67 HA VAL 67 -6.670 -4.238 5.952 580 HB VAL 67 HB VAL 67 -8.745 -3.063 7.804 581 1HG1 VAL 67 1HG1 VAL 67 -8.669 -1.395 6.003 582 2HG1 VAL 67 2HG1 VAL 67 -10.112 -2.402 5.832 583 3HG1 VAL 67 3HG1 VAL 67 -8.715 -2.681 4.778 584 1HG2 VAL 67 1HG2 VAL 67 -8.605 -5.579 7.045 585 2HG2 VAL 67 2HG2 VAL 67 -10.169 -4.745 6.900 586 3HG2 VAL 67 3HG2 VAL 67 -9.145 -4.945 5.479 587 H TYR 68 H TYR 68 -5.991 -2.744 4.568 588 HA TYR 68 HA TYR 68 -4.620 -0.353 5.667 589 1HB TYR 68 1HB TYR 68 -4.499 -1.597 2.899 590 2HB TYR 68 2HB TYR 68 -3.506 -0.283 3.510 591 HD1 TYR 68 HD1 TYR 68 -1.991 -0.800 5.581 592 HD2 TYR 68 HD2 TYR 68 -3.723 -3.811 3.037 593 HE1 TYR 68 HE1 TYR 68 -0.653 -2.565 6.735 594 HE2 TYR 68 HE2 TYR 68 -2.137 -5.470 3.958 595 HH TYR 68 HH TYR 68 -1.225 -5.873 6.237 596 H THR 69 H THR 69 -5.650 1.503 5.526 597 HA THR 69 HA THR 69 -7.796 2.090 3.550 598 HB THR 69 HB THR 69 -8.043 4.082 5.132 599 HG1 THR 69 HG1 THR 69 -5.846 3.401 6.037 600 1HG2 THR 69 1HG2 THR 69 -9.191 2.730 6.910 601 2HG2 THR 69 2HG2 THR 69 -8.488 1.258 6.200 602 3HG2 THR 69 3HG2 THR 69 -9.633 2.243 5.266 603 HA PRO 70 HA PRO 70 -4.201 4.114 1.604 604 1HB PRO 70 1HB PRO 70 -6.390 5.160 -0.168 605 2HB PRO 70 2HB PRO 70 -4.750 4.591 -0.612 606 1HG PRO 70 1HG PRO 70 -6.833 2.940 -0.925 607 2HG PRO 70 2HG PRO 70 -5.381 2.293 -0.158 608 1HD PRO 70 1HD PRO 70 -7.899 3.251 1.232 609 2HD PRO 70 2HD PRO 70 -6.937 1.763 1.496 610 H ASN 71 H ASN 71 -3.313 6.135 2.227 611 HA ASN 71 HA ASN 71 -5.124 8.060 3.532 612 1HB ASN 71 1HB ASN 71 -2.895 7.232 4.488 613 2HB ASN 71 2HB ASN 71 -2.111 8.212 3.233 614 1HD2 ASN 71 1HD2 ASN 71 -1.070 9.466 4.834 615 2HD2 ASN 71 2HD2 ASN 71 -1.978 10.635 5.794 616 H ILE 72 H ILE 72 -3.055 7.736 0.676 617 HA ILE 72 HA ILE 72 -3.891 10.417 -0.303 618 HB ILE 72 HB ILE 72 -1.906 10.668 -1.419 619 1HG1 ILE 72 1HG1 ILE 72 -1.589 8.660 -2.604 620 2HG1 ILE 72 2HG1 ILE 72 -0.137 9.018 -1.692 621 1HG2 ILE 72 1HG2 ILE 72 -1.615 10.992 0.969 622 2HG2 ILE 72 2HG2 ILE 72 -0.123 10.429 0.197 623 3HG2 ILE 72 3HG2 ILE 72 -1.082 9.312 1.173 624 1HD1 ILE 72 1HD1 ILE 72 -0.714 7.390 0.015 625 2HD1 ILE 72 2HD1 ILE 72 -2.164 6.893 -0.887 626 3HD1 ILE 72 3HD1 ILE 72 -0.559 6.659 -1.570 627 H ASP 73 H ASP 73 -4.021 10.570 -2.695 628 HA ASP 73 HA ASP 73 -5.444 8.215 -3.895 629 1HB ASP 73 1HB ASP 73 -7.003 10.038 -3.594 630 2HB ASP 73 2HB ASP 73 -5.833 11.214 -4.212 631 H GLU 74 H GLU 74 -5.110 7.970 -6.172 632 HA GLU 74 HA GLU 74 -2.605 7.700 -7.186 633 1HB GLU 74 1HB GLU 74 -5.175 8.465 -8.660 634 2HB GLU 74 2HB GLU 74 -3.696 7.908 -9.460 635 1HG GLU 74 1HG GLU 74 -3.741 5.843 -8.180 636 2HG GLU 74 2HG GLU 74 -5.268 6.289 -7.396 637 H SER 75 H SER 75 -4.638 10.574 -7.895 638 HA SER 75 HA SER 75 -2.815 11.997 -9.383 639 1HB SER 75 1HB SER 75 -4.672 13.366 -7.389 640 2HB SER 75 2HB SER 75 -4.321 13.797 -9.073 641 HG SER 75 HG SER 75 -6.077 11.873 -8.026 642 H ASP 76 H ASP 76 -2.749 11.567 -5.928 643 HA ASP 76 HA ASP 76 -0.393 13.363 -5.692 644 1HB ASP 76 1HB ASP 76 -1.254 13.622 -3.289 645 2HB ASP 76 2HB ASP 76 -2.076 14.531 -4.556 646 H TYR 77 H TYR 77 -0.516 10.542 -6.517 647 HA TYR 77 HA TYR 77 0.006 8.828 -4.402 648 1HB TYR 77 1HB TYR 77 0.938 7.337 -5.839 649 2HB TYR 77 2HB TYR 77 -0.167 8.195 -6.881 650 HD1 TYR 77 HD1 TYR 77 2.851 6.644 -6.750 651 HD2 TYR 77 HD2 TYR 77 1.253 10.430 -8.024 652 HE1 TYR 77 HE1 TYR 77 4.780 6.922 -8.265 653 HE2 TYR 77 HE2 TYR 77 3.279 10.788 -9.419 654 HH TYR 77 HH TYR 77 5.861 8.349 -9.723 655 H ILE 78 H ILE 78 2.077 11.259 -5.821 656 HA ILE 78 HA ILE 78 4.059 10.867 -3.603 657 HB ILE 78 HB ILE 78 4.632 11.577 -6.505 658 1HG1 ILE 78 1HG1 ILE 78 5.698 9.432 -4.601 659 2HG1 ILE 78 2HG1 ILE 78 4.569 9.176 -5.932 660 1HG2 ILE 78 1HG2 ILE 78 6.955 12.058 -5.784 661 2HG2 ILE 78 2HG2 ILE 78 6.486 11.812 -4.089 662 3HG2 ILE 78 3HG2 ILE 78 5.850 13.179 -5.024 663 1HD1 ILE 78 1HD1 ILE 78 6.696 8.508 -6.775 664 2HD1 ILE 78 2HD1 ILE 78 7.509 9.924 -6.111 665 3HD1 ILE 78 3HD1 ILE 78 6.399 10.102 -7.489 666 H GLU 79 H GLU 79 3.408 12.455 -2.208 667 HA GLU 79 HA GLU 79 2.279 14.971 -3.149 668 1HB GLU 79 1HB GLU 79 3.245 13.947 -0.438 669 2HB GLU 79 2HB GLU 79 2.403 15.472 -0.727 670 1HG GLU 79 1HG GLU 79 0.394 14.338 -1.459 671 2HG GLU 79 2HG GLU 79 1.196 12.762 -1.440 672 H VAL 80 H VAL 80 3.871 15.933 -4.446 673 HA VAL 80 HA VAL 80 6.629 15.950 -3.743 674 HB VAL 80 HB VAL 80 5.847 16.026 -6.024 675 1HG1 VAL 80 1HG1 VAL 80 3.880 17.561 -5.773 676 2HG1 VAL 80 2HG1 VAL 80 4.967 18.005 -7.095 677 3HG1 VAL 80 3HG1 VAL 80 5.004 18.923 -5.584 678 1HG2 VAL 80 1HG2 VAL 80 7.491 18.494 -5.322 679 2HG2 VAL 80 2HG2 VAL 80 8.113 16.834 -5.461 680 3HG2 VAL 80 3HG2 VAL 80 7.445 17.654 -6.884 681 H LYS 81 H LYS 81 7.742 17.184 -2.428 682 HA LYS 81 HA LYS 81 7.607 19.913 -1.972 683 1HB LYS 81 1HB LYS 81 6.786 19.901 0.430 684 2HB LYS 81 2HB LYS 81 5.544 19.797 -0.796 685 1HG LYS 81 1HG LYS 81 5.101 17.521 -0.422 686 2HG LYS 81 2HG LYS 81 6.598 17.238 0.470 687 1HD LYS 81 1HD LYS 81 5.790 18.818 2.260 688 2HD LYS 81 2HD LYS 81 4.229 18.912 1.415 689 1HE LYS 81 1HE LYS 81 5.573 16.428 2.586 690 2HE LYS 81 2HE LYS 81 4.155 17.256 3.245 691 1HZ LYS 81 1HZ LYS 81 2.979 16.673 1.235 692 2HZ LYS 81 2HZ LYS 81 3.543 15.331 2.010 693 3HZ LYS 81 3HZ LYS 81 4.305 15.876 0.656 694 H SER 82 H SER 82 8.110 18.494 1.106 695 HA SER 82 HA SER 82 10.507 17.067 0.784 696 1HB SER 82 1HB SER 82 10.630 19.957 1.783 697 2HB SER 82 2HB SER 82 11.869 18.733 2.102 698 HG SER 82 HG SER 82 11.150 19.055 -0.566 Start of MODEL 5 1 1H MET 1 1H MET 1 10.917 19.285 5.392 2 2H MET 1 2H MET 1 10.724 18.080 4.249 3 3H MET 1 3H MET 1 10.629 19.548 3.757 4 HA MET 1 HA MET 1 8.764 18.360 5.710 5 1HB MET 1 1HB MET 1 8.377 20.891 4.046 6 2HB MET 1 2HB MET 1 7.311 20.252 5.301 7 1HG MET 1 1HG MET 1 10.041 21.537 5.611 8 2HG MET 1 2HG MET 1 8.503 22.076 6.271 9 1HE MET 1 1HE MET 1 7.270 20.930 8.281 10 2HE MET 1 2HE MET 1 7.334 19.303 7.557 11 3HE MET 1 3HE MET 1 7.925 19.564 9.211 12 H LYS 2 H LYS 2 9.400 19.127 2.265 13 HA LYS 2 HA LYS 2 6.938 17.796 1.343 14 1HB LYS 2 1HB LYS 2 9.343 18.950 -0.105 15 2HB LYS 2 2HB LYS 2 7.838 18.416 -0.870 16 1HG LYS 2 1HG LYS 2 6.569 20.150 0.299 17 2HG LYS 2 2HG LYS 2 7.990 20.677 1.196 18 1HD LYS 2 1HD LYS 2 7.571 20.879 -1.813 19 2HD LYS 2 2HD LYS 2 7.556 22.199 -0.640 20 1HE LYS 2 1HE LYS 2 9.943 20.564 -1.583 21 2HE LYS 2 2HE LYS 2 9.667 22.297 -1.733 22 1HZ LYS 2 1HZ LYS 2 11.205 21.888 -0.015 23 2HZ LYS 2 2HZ LYS 2 10.212 20.838 0.766 24 3HZ LYS 2 3HZ LYS 2 9.819 22.440 0.680 25 H LYS 3 H LYS 3 7.776 15.887 2.703 26 HA LYS 3 HA LYS 3 9.664 14.205 1.118 27 1HB LYS 3 1HB LYS 3 9.733 14.917 3.796 28 2HB LYS 3 2HB LYS 3 9.114 13.282 3.873 29 1HG LYS 3 1HG LYS 3 11.573 14.012 2.207 30 2HG LYS 3 2HG LYS 3 11.669 13.815 3.934 31 1HD LYS 3 1HD LYS 3 12.376 11.786 2.764 32 2HD LYS 3 2HD LYS 3 11.063 11.534 3.907 33 1HE LYS 3 1HE LYS 3 10.741 10.174 1.921 34 2HE LYS 3 2HE LYS 3 9.443 11.349 2.057 35 1HZ LYS 3 1HZ LYS 3 10.602 12.666 0.380 36 2HZ LYS 3 2HZ LYS 3 10.204 11.171 -0.147 37 3HZ LYS 3 3HZ LYS 3 11.768 11.506 0.267 38 H ILE 4 H ILE 4 8.141 13.574 -0.402 39 HA ILE 4 HA ILE 4 5.589 12.367 0.437 40 HB ILE 4 HB ILE 4 7.004 12.943 -2.157 41 1HG1 ILE 4 1HG1 ILE 4 4.821 13.980 -2.726 42 2HG1 ILE 4 2HG1 ILE 4 4.155 13.454 -1.181 43 1HG2 ILE 4 1HG2 ILE 4 4.589 11.102 -2.087 44 2HG2 ILE 4 2HG2 ILE 4 6.246 10.632 -2.539 45 3HG2 ILE 4 3HG2 ILE 4 5.357 11.795 -3.504 46 1HD1 ILE 4 1HD1 ILE 4 5.643 14.966 0.027 47 2HD1 ILE 4 2HD1 ILE 4 6.544 15.332 -1.467 48 3HD1 ILE 4 3HD1 ILE 4 4.863 15.866 -1.279 49 HA PRO 5 HA PRO 5 7.282 8.376 1.289 50 1HB PRO 5 1HB PRO 5 5.398 6.622 0.153 51 2HB PRO 5 2HB PRO 5 5.353 7.376 1.756 52 1HG PRO 5 1HG PRO 5 3.935 8.359 -0.728 53 2HG PRO 5 2HG PRO 5 3.351 8.255 0.951 54 1HD PRO 5 1HD PRO 5 4.210 10.604 -0.031 55 2HD PRO 5 2HD PRO 5 4.610 10.132 1.630 56 H GLN 6 H GLN 6 8.981 7.453 0.336 57 HA GLN 6 HA GLN 6 9.597 7.889 -2.428 58 1HB GLN 6 1HB GLN 6 11.717 6.953 -1.948 59 2HB GLN 6 2HB GLN 6 11.220 7.966 -0.598 60 1HG GLN 6 1HG GLN 6 11.614 4.981 -0.695 61 2HG GLN 6 2HG GLN 6 12.221 6.162 0.451 62 1HE2 GLN 6 1HE2 GLN 6 9.577 4.053 -0.365 63 2HE2 GLN 6 2HE2 GLN 6 8.675 4.259 1.140 64 H ILE 7 H ILE 7 7.582 6.867 -3.134 65 HA ILE 7 HA ILE 7 7.307 3.999 -3.101 66 HB ILE 7 HB ILE 7 5.916 6.311 -4.444 67 1HG1 ILE 7 1HG1 ILE 7 5.700 6.037 -1.986 68 2HG1 ILE 7 2HG1 ILE 7 4.206 6.070 -2.896 69 1HG2 ILE 7 1HG2 ILE 7 4.063 4.723 -5.018 70 2HG2 ILE 7 2HG2 ILE 7 5.527 4.562 -5.990 71 3HG2 ILE 7 3HG2 ILE 7 5.191 3.387 -4.706 72 1HD1 ILE 7 1HD1 ILE 7 5.591 3.602 -1.762 73 2HD1 ILE 7 2HD1 ILE 7 4.135 4.387 -1.131 74 3HD1 ILE 7 3HD1 ILE 7 4.081 3.564 -2.698 75 H SER 8 H SER 8 8.397 2.618 -4.280 76 HA SER 8 HA SER 8 9.757 3.320 -6.786 77 1HB SER 8 1HB SER 8 10.396 0.910 -6.738 78 2HB SER 8 2HB SER 8 10.766 1.714 -5.206 79 HG SER 8 HG SER 8 9.065 0.727 -4.261 80 H ASP 9 H ASP 9 9.316 1.548 -8.700 81 HA ASP 9 HA ASP 9 6.753 1.993 -9.687 82 1HB ASP 9 1HB ASP 9 7.446 0.539 -11.420 83 2HB ASP 9 2HB ASP 9 8.833 1.517 -10.983 84 H ALA 10 H ALA 10 8.156 -0.947 -8.149 85 HA ALA 10 HA ALA 10 5.865 -2.595 -8.337 86 1HB ALA 10 1HB ALA 10 8.039 -2.546 -6.192 87 2HB ALA 10 2HB ALA 10 6.915 -3.886 -6.502 88 3HB ALA 10 3HB ALA 10 8.103 -3.426 -7.736 89 H GLU 11 H GLU 11 6.918 -0.398 -5.707 90 HA GLU 11 HA GLU 11 4.670 -0.810 -3.987 91 1HB GLU 11 1HB GLU 11 6.590 1.490 -4.390 92 2HB GLU 11 2HB GLU 11 5.352 1.506 -3.135 93 1HG GLU 11 1HG GLU 11 6.248 -0.491 -2.082 94 2HG GLU 11 2HG GLU 11 7.442 -0.700 -3.370 95 H LEU 12 H LEU 12 5.192 1.479 -6.730 96 HA LEU 12 HA LEU 12 2.764 2.816 -6.292 97 1HB LEU 12 1HB LEU 12 4.684 3.581 -7.766 98 2HB LEU 12 2HB LEU 12 4.195 2.422 -8.985 99 HG LEU 12 HG LEU 12 3.560 4.825 -9.319 100 1HD1 LEU 12 1HD1 LEU 12 1.138 3.016 -9.373 101 2HD1 LEU 12 2HD1 LEU 12 2.466 2.954 -10.552 102 3HD1 LEU 12 3HD1 LEU 12 1.485 4.420 -10.379 103 1HD2 LEU 12 1HD2 LEU 12 1.635 5.767 -8.186 104 2HD2 LEU 12 2HD2 LEU 12 1.412 4.298 -7.221 105 3HD2 LEU 12 3HD2 LEU 12 2.850 5.310 -6.977 106 H GLU 13 H GLU 13 3.489 -0.030 -8.426 107 HA GLU 13 HA GLU 13 0.930 -0.405 -9.536 108 1HB GLU 13 1HB GLU 13 2.891 -2.473 -8.429 109 2HB GLU 13 2HB GLU 13 1.499 -2.883 -9.420 110 1HG GLU 13 1HG GLU 13 3.727 -1.020 -10.380 111 2HG GLU 13 2HG GLU 13 3.628 -2.741 -10.733 112 H VAL 14 H VAL 14 2.200 -1.602 -6.440 113 HA VAL 14 HA VAL 14 -0.130 -2.854 -5.439 114 HB VAL 14 HB VAL 14 2.360 -1.578 -4.299 115 1HG1 VAL 14 1HG1 VAL 14 0.106 -2.564 -2.566 116 2HG1 VAL 14 2HG1 VAL 14 1.803 -2.369 -2.041 117 3HG1 VAL 14 3HG1 VAL 14 0.880 -0.967 -2.564 118 1HG2 VAL 14 1HG2 VAL 14 2.545 -3.633 -5.469 119 2HG2 VAL 14 2HG2 VAL 14 1.365 -4.376 -4.374 120 3HG2 VAL 14 3HG2 VAL 14 2.917 -3.837 -3.734 121 H MET 15 H MET 15 0.977 0.537 -4.974 122 HA MET 15 HA MET 15 -1.225 1.344 -3.395 123 1HB MET 15 1HB MET 15 0.433 3.045 -5.290 124 2HB MET 15 2HB MET 15 -0.575 3.622 -3.958 125 1HG MET 15 1HG MET 15 1.271 1.551 -3.020 126 2HG MET 15 2HG MET 15 2.138 2.770 -3.870 127 1HE MET 15 1HE MET 15 2.006 5.838 -1.796 128 2HE MET 15 2HE MET 15 0.649 5.594 -2.917 129 3HE MET 15 3HE MET 15 2.262 5.066 -3.388 130 H LYS 16 H LYS 16 -0.755 1.602 -6.920 131 HA LYS 16 HA LYS 16 -3.242 2.747 -7.686 132 1HB LYS 16 1HB LYS 16 -1.153 2.424 -9.065 133 2HB LYS 16 2HB LYS 16 -1.523 0.695 -9.152 134 1HG LYS 16 1HG LYS 16 -3.784 1.425 -10.189 135 2HG LYS 16 2HG LYS 16 -3.041 3.020 -10.378 136 1HD LYS 16 1HD LYS 16 -2.074 0.352 -11.528 137 2HD LYS 16 2HD LYS 16 -2.808 1.685 -12.431 138 1HE LYS 16 1HE LYS 16 -0.846 3.135 -11.820 139 2HE LYS 16 2HE LYS 16 -0.101 1.739 -11.010 140 1HZ LYS 16 1HZ LYS 16 0.717 2.023 -13.206 141 2HZ LYS 16 2HZ LYS 16 -0.789 1.840 -13.851 142 3HZ LYS 16 3HZ LYS 16 -0.065 0.586 -13.056 143 H VAL 17 H VAL 17 -2.351 -0.734 -7.318 144 HA VAL 17 HA VAL 17 -4.905 -1.748 -8.034 145 HB VAL 17 HB VAL 17 -2.635 -2.778 -6.293 146 1HG1 VAL 17 1HG1 VAL 17 -4.562 -3.779 -5.245 147 2HG1 VAL 17 2HG1 VAL 17 -3.838 -4.975 -6.324 148 3HG1 VAL 17 3HG1 VAL 17 -5.300 -4.106 -6.838 149 1HG2 VAL 17 1HG2 VAL 17 -2.407 -2.765 -8.810 150 2HG2 VAL 17 2HG2 VAL 17 -2.364 -4.386 -8.092 151 3HG2 VAL 17 3HG2 VAL 17 -3.839 -3.812 -8.894 152 H ILE 18 H ILE 18 -3.583 -1.018 -4.757 153 HA ILE 18 HA ILE 18 -5.970 -1.560 -3.349 154 HB ILE 18 HB ILE 18 -3.659 0.303 -2.701 155 1HG1 ILE 18 1HG1 ILE 18 -4.361 -2.528 -1.786 156 2HG1 ILE 18 2HG1 ILE 18 -3.167 -2.164 -3.010 157 1HG2 ILE 18 1HG2 ILE 18 -4.457 0.199 -0.349 158 2HG2 ILE 18 2HG2 ILE 18 -5.648 0.970 -1.381 159 3HG2 ILE 18 3HG2 ILE 18 -5.889 -0.711 -0.878 160 1HD1 ILE 18 1HD1 ILE 18 -2.996 -1.458 -0.068 161 2HD1 ILE 18 2HD1 ILE 18 -1.990 -2.574 -0.994 162 3HD1 ILE 18 3HD1 ILE 18 -1.878 -0.833 -1.314 163 H TRP 19 H TRP 19 -4.878 1.530 -4.842 164 HA TRP 19 HA TRP 19 -6.897 3.189 -3.934 165 1HB TRP 19 1HB TRP 19 -4.837 3.087 -6.113 166 2HB TRP 19 2HB TRP 19 -6.066 4.211 -6.371 167 HD1 TRP 19 HD1 TRP 19 -6.169 5.103 -3.122 168 HE1 TRP 19 HE1 TRP 19 -4.233 6.568 -2.177 169 HE3 TRP 19 HE3 TRP 19 -2.718 4.610 -6.902 170 HZ2 TRP 19 HZ2 TRP 19 -1.618 7.217 -2.840 171 HZ3 TRP 19 HZ3 TRP 19 -0.501 5.647 -6.685 172 HH2 TRP 19 HH2 TRP 19 0.080 6.976 -4.653 173 H LYS 20 H LYS 20 -7.271 0.580 -6.243 174 HA LYS 20 HA LYS 20 -9.567 1.823 -7.573 175 1HB LYS 20 1HB LYS 20 -8.857 -1.127 -7.310 176 2HB LYS 20 2HB LYS 20 -10.006 -0.403 -8.438 177 1HG LYS 20 1HG LYS 20 -6.993 -0.074 -8.422 178 2HG LYS 20 2HG LYS 20 -7.973 -0.944 -9.604 179 1HD LYS 20 1HD LYS 20 -9.103 1.267 -10.181 180 2HD LYS 20 2HD LYS 20 -7.916 2.070 -9.124 181 1HE LYS 20 1HE LYS 20 -6.072 1.104 -10.486 182 2HE LYS 20 2HE LYS 20 -7.268 0.401 -11.593 183 1HZ LYS 20 1HZ LYS 20 -8.041 2.617 -12.052 184 2HZ LYS 20 2HZ LYS 20 -6.924 3.264 -11.027 185 3HZ LYS 20 3HZ LYS 20 -6.435 2.481 -12.393 186 H HIS 21 H HIS 21 -9.026 0.093 -4.552 187 HA HIS 21 HA HIS 21 -11.920 -0.507 -4.234 188 1HB HIS 21 1HB HIS 21 -9.516 -1.325 -2.562 189 2HB HIS 21 2HB HIS 21 -11.178 -1.917 -2.424 190 HD2 HIS 21 HD2 HIS 21 -8.002 -2.521 -4.559 191 HE1 HIS 21 HE1 HIS 21 -11.009 -5.207 -5.842 192 HE2 HIS 21 HE2 HIS 21 -8.537 -4.620 -6.052 193 H SER 22 H SER 22 -12.847 -0.029 -1.971 194 HA SER 22 HA SER 22 -12.431 2.756 -1.276 195 1HB SER 22 1HB SER 22 -13.975 1.927 0.662 196 2HB SER 22 2HB SER 22 -14.617 1.861 -0.994 197 HG SER 22 HG SER 22 -14.929 -0.137 0.116 198 H SER 23 H SER 23 -11.946 -0.364 0.386 199 HA SER 23 HA SER 23 -9.239 0.516 1.126 200 1HB SER 23 1HB SER 23 -11.249 -0.579 3.161 201 2HB SER 23 2HB SER 23 -9.519 -0.397 3.473 202 HG SER 23 HG SER 23 -10.681 1.857 2.427 203 H ILE 24 H ILE 24 -8.471 -2.001 2.294 204 HA ILE 24 HA ILE 24 -9.912 -4.124 0.879 205 HB ILE 24 HB ILE 24 -8.395 -3.269 -0.829 206 1HG1 ILE 24 1HG1 ILE 24 -7.333 -5.956 0.061 207 2HG1 ILE 24 2HG1 ILE 24 -8.994 -5.741 -0.521 208 1HG2 ILE 24 1HG2 ILE 24 -6.095 -4.076 1.005 209 2HG2 ILE 24 2HG2 ILE 24 -6.002 -3.365 -0.617 210 3HG2 ILE 24 3HG2 ILE 24 -6.611 -2.403 0.723 211 1HD1 ILE 24 1HD1 ILE 24 -7.501 -6.462 -2.338 212 2HD1 ILE 24 2HD1 ILE 24 -6.529 -4.996 -2.139 213 3HD1 ILE 24 3HD1 ILE 24 -8.223 -4.876 -2.650 214 H ASN 25 H ASN 25 -9.597 -6.272 1.899 215 HA ASN 25 HA ASN 25 -8.257 -5.970 4.543 216 1HB ASN 25 1HB ASN 25 -9.007 -7.972 5.273 217 2HB ASN 25 2HB ASN 25 -10.402 -7.136 4.680 218 1HD2 ASN 25 1HD2 ASN 25 -11.782 -8.574 3.627 219 2HD2 ASN 25 2HD2 ASN 25 -11.260 -10.033 2.813 220 H THR 26 H THR 26 -6.664 -7.510 5.257 221 HA THR 26 HA THR 26 -4.573 -7.587 3.402 222 HB THR 26 HB THR 26 -4.727 -9.331 5.901 223 HG1 THR 26 HG1 THR 26 -5.162 -7.007 6.232 224 1HG2 THR 26 1HG2 THR 26 -2.250 -8.903 5.939 225 2HG2 THR 26 2HG2 THR 26 -2.379 -8.100 4.363 226 3HG2 THR 26 3HG2 THR 26 -2.746 -9.827 4.512 227 H ASN 27 H ASN 27 -6.964 -10.191 3.877 228 HA ASN 27 HA ASN 27 -5.302 -12.196 2.551 229 1HB ASN 27 1HB ASN 27 -7.153 -12.959 3.932 230 2HB ASN 27 2HB ASN 27 -8.316 -12.038 2.968 231 1HD2 ASN 27 1HD2 ASN 27 -5.843 -14.663 2.659 232 2HD2 ASN 27 2HD2 ASN 27 -6.698 -15.476 1.361 233 H GLU 28 H GLU 28 -7.963 -10.040 1.614 234 HA GLU 28 HA GLU 28 -8.094 -10.530 -1.159 235 1HB GLU 28 1HB GLU 28 -8.559 -8.066 0.546 236 2HB GLU 28 2HB GLU 28 -8.914 -8.063 -1.178 237 1HG GLU 28 1HG GLU 28 -10.544 -9.866 -0.866 238 2HG GLU 28 2HG GLU 28 -10.112 -9.969 0.847 239 H VAL 29 H VAL 29 -6.137 -8.074 0.626 240 HA VAL 29 HA VAL 29 -4.923 -7.045 -1.684 241 HB VAL 29 HB VAL 29 -4.944 -6.228 0.880 242 1HG1 VAL 29 1HG1 VAL 29 -2.701 -6.079 1.783 243 2HG1 VAL 29 2HG1 VAL 29 -3.150 -7.776 1.706 244 3HG1 VAL 29 3HG1 VAL 29 -2.041 -7.102 0.503 245 1HG2 VAL 29 1HG2 VAL 29 -2.751 -5.433 -1.051 246 2HG2 VAL 29 2HG2 VAL 29 -3.484 -4.451 0.235 247 3HG2 VAL 29 3HG2 VAL 29 -4.438 -4.907 -1.186 248 H ILE 30 H ILE 30 -3.600 -9.567 0.583 249 HA ILE 30 HA ILE 30 -1.232 -9.895 -0.935 250 HB ILE 30 HB ILE 30 -2.647 -11.735 1.014 251 1HG1 ILE 30 1HG1 ILE 30 -0.121 -10.011 1.073 252 2HG1 ILE 30 2HG1 ILE 30 -1.648 -9.628 1.873 253 1HG2 ILE 30 1HG2 ILE 30 0.077 -12.168 -0.301 254 2HG2 ILE 30 2HG2 ILE 30 -1.362 -13.178 -0.556 255 3HG2 ILE 30 3HG2 ILE 30 -0.604 -13.133 1.024 256 1HD1 ILE 30 1HD1 ILE 30 -0.134 -10.388 3.521 257 2HD1 ILE 30 2HD1 ILE 30 0.350 -11.796 2.575 258 3HD1 ILE 30 3HD1 ILE 30 -1.292 -11.716 3.277 259 H LYS 31 H LYS 31 -4.352 -11.655 -1.166 260 HA LYS 31 HA LYS 31 -3.602 -13.453 -3.182 261 1HB LYS 31 1HB LYS 31 -5.700 -13.453 -1.818 262 2HB LYS 31 2HB LYS 31 -6.297 -12.083 -2.753 263 1HG LYS 31 1HG LYS 31 -7.301 -14.123 -3.507 264 2HG LYS 31 2HG LYS 31 -6.284 -13.496 -4.809 265 1HD LYS 31 1HD LYS 31 -4.546 -15.116 -4.360 266 2HD LYS 31 2HD LYS 31 -5.282 -15.601 -2.826 267 1HE LYS 31 1HE LYS 31 -6.592 -16.016 -5.553 268 2HE LYS 31 2HE LYS 31 -5.629 -17.239 -4.703 269 1HZ LYS 31 1HZ LYS 31 -7.187 -17.130 -2.899 270 2HZ LYS 31 2HZ LYS 31 -7.933 -17.548 -4.307 271 3HZ LYS 31 3HZ LYS 31 -8.107 -16.026 -3.706 272 H GLU 32 H GLU 32 -5.153 -10.232 -3.544 273 HA GLU 32 HA GLU 32 -5.223 -10.160 -6.354 274 1HB GLU 32 1HB GLU 32 -6.499 -8.716 -4.807 275 2HB GLU 32 2HB GLU 32 -5.013 -7.864 -4.361 276 1HG GLU 32 1HG GLU 32 -4.776 -7.044 -6.676 277 2HG GLU 32 2HG GLU 32 -6.166 -7.998 -7.193 278 H LEU 33 H LEU 33 -2.683 -8.663 -4.126 279 HA LEU 33 HA LEU 33 -1.081 -7.639 -6.138 280 1HB LEU 33 1HB LEU 33 -0.876 -8.422 -3.231 281 2HB LEU 33 2HB LEU 33 0.557 -8.176 -4.137 282 HG LEU 33 HG LEU 33 0.007 -5.917 -4.745 283 1HD1 LEU 33 1HD1 LEU 33 -2.617 -6.293 -3.266 284 2HD1 LEU 33 2HD1 LEU 33 -2.418 -6.123 -5.020 285 3HD1 LEU 33 3HD1 LEU 33 -1.995 -4.779 -3.950 286 1HD2 LEU 33 1HD2 LEU 33 -0.076 -4.904 -2.452 287 2HD2 LEU 33 2HD2 LEU 33 1.071 -6.250 -2.554 288 3HD2 LEU 33 3HD2 LEU 33 -0.520 -6.486 -1.790 289 H SER 34 H SER 34 -0.943 -10.844 -4.450 290 HA SER 34 HA SER 34 1.280 -11.888 -5.792 291 1HB SER 34 1HB SER 34 -1.204 -13.395 -4.879 292 2HB SER 34 2HB SER 34 0.371 -14.103 -5.281 293 HG SER 34 HG SER 34 -0.196 -12.274 -3.188 294 H LYS 35 H LYS 35 -2.169 -11.846 -6.856 295 HA LYS 35 HA LYS 35 -1.710 -13.386 -9.242 296 1HB LYS 35 1HB LYS 35 -3.911 -11.662 -8.146 297 2HB LYS 35 2HB LYS 35 -3.800 -11.716 -9.898 298 1HG LYS 35 1HG LYS 35 -5.294 -13.436 -9.217 299 2HG LYS 35 2HG LYS 35 -3.831 -14.179 -9.879 300 1HD LYS 35 1HD LYS 35 -3.014 -14.435 -7.448 301 2HD LYS 35 2HD LYS 35 -4.629 -13.929 -6.941 302 1HE LYS 35 1HE LYS 35 -3.909 -16.361 -8.657 303 2HE LYS 35 2HE LYS 35 -4.426 -16.390 -6.967 304 1HZ LYS 35 1HZ LYS 35 -6.037 -15.511 -9.261 305 2HZ LYS 35 2HZ LYS 35 -6.533 -15.459 -7.692 306 3HZ LYS 35 3HZ LYS 35 -6.224 -16.909 -8.414 307 H THR 36 H THR 36 -1.779 -9.836 -8.662 308 HA THR 36 HA THR 36 -1.286 -9.216 -11.413 309 HB THR 36 HB THR 36 -0.776 -6.944 -10.626 310 HG1 THR 36 HG1 THR 36 -0.526 -8.263 -8.199 311 1HG2 THR 36 1HG2 THR 36 -3.199 -8.246 -9.280 312 2HG2 THR 36 2HG2 THR 36 -2.992 -6.524 -9.622 313 3HG2 THR 36 3HG2 THR 36 -3.113 -7.691 -10.955 314 H SER 37 H SER 37 1.044 -9.659 -8.694 315 HA SER 37 HA SER 37 3.104 -10.301 -10.657 316 1HB SER 37 1HB SER 37 3.354 -7.969 -8.741 317 2HB SER 37 2HB SER 37 4.753 -8.740 -9.515 318 HG SER 37 HG SER 37 2.691 -8.078 -11.240 319 H THR 38 H THR 38 4.514 -11.860 -9.788 320 HA THR 38 HA THR 38 3.520 -13.217 -7.469 321 HB THR 38 HB THR 38 5.423 -14.766 -8.049 322 HG1 THR 38 HG1 THR 38 6.807 -13.193 -8.877 323 1HG2 THR 38 1HG2 THR 38 3.685 -13.913 -10.417 324 2HG2 THR 38 2HG2 THR 38 3.186 -15.011 -9.113 325 3HG2 THR 38 3HG2 THR 38 4.507 -15.469 -10.207 326 H TRP 39 H TRP 39 3.935 -11.093 -6.142 327 HA TRP 39 HA TRP 39 6.634 -11.013 -4.913 328 1HB TRP 39 1HB TRP 39 4.036 -9.507 -4.388 329 2HB TRP 39 2HB TRP 39 5.552 -9.225 -3.537 330 HD1 TRP 39 HD1 TRP 39 7.621 -8.953 -5.756 331 HE1 TRP 39 HE1 TRP 39 7.575 -7.019 -7.471 332 HE3 TRP 39 HE3 TRP 39 2.681 -7.614 -5.394 333 HZ2 TRP 39 HZ2 TRP 39 5.671 -5.220 -8.576 334 HZ3 TRP 39 HZ3 TRP 39 1.791 -5.775 -6.818 335 HH2 TRP 39 HH2 TRP 39 3.254 -4.655 -8.459 336 H SER 40 H SER 40 7.033 -12.137 -2.960 337 HA SER 40 HA SER 40 5.149 -14.179 -2.261 338 1HB SER 40 1HB SER 40 6.719 -14.780 -0.522 339 2HB SER 40 2HB SER 40 7.631 -14.351 -1.973 340 HG SER 40 HG SER 40 8.492 -13.384 -0.082 341 HA PRO 41 HA PRO 41 2.566 -12.174 0.806 342 1HB PRO 41 1HB PRO 41 3.554 -14.342 2.692 343 2HB PRO 41 2HB PRO 41 1.900 -13.689 2.525 344 1HG PRO 41 1HG PRO 41 2.498 -16.005 1.281 345 2HG PRO 41 2HG PRO 41 1.653 -14.732 0.355 346 1HD PRO 41 1HD PRO 41 4.606 -15.395 0.320 347 2HD PRO 41 2HD PRO 41 3.497 -15.071 -1.049 348 H LYS 42 H LYS 42 5.764 -13.335 2.008 349 HA LYS 42 HA LYS 42 6.131 -11.388 4.033 350 1HB LYS 42 1HB LYS 42 8.202 -12.798 2.301 351 2HB LYS 42 2HB LYS 42 8.534 -11.896 3.791 352 1HG LYS 42 1HG LYS 42 6.933 -13.442 5.001 353 2HG LYS 42 2HG LYS 42 6.870 -14.450 3.550 354 1HD LYS 42 1HD LYS 42 9.370 -13.768 5.171 355 2HD LYS 42 2HD LYS 42 8.475 -15.293 5.227 356 1HE LYS 42 1HE LYS 42 8.979 -15.647 2.788 357 2HE LYS 42 2HE LYS 42 9.979 -14.177 2.811 358 1HZ LYS 42 1HZ LYS 42 11.344 -15.199 4.469 359 2HZ LYS 42 2HZ LYS 42 11.283 -16.127 3.110 360 3HZ LYS 42 3HZ LYS 42 10.427 -16.568 4.446 361 H THR 43 H THR 43 7.037 -11.312 0.535 362 HA THR 43 HA THR 43 8.314 -8.768 0.587 363 HB THR 43 HB THR 43 6.690 -9.994 -1.683 364 HG1 THR 43 HG1 THR 43 8.307 -11.394 -0.980 365 1HG2 THR 43 1HG2 THR 43 7.252 -7.642 -2.125 366 2HG2 THR 43 2HG2 THR 43 8.224 -8.720 -3.137 367 3HG2 THR 43 3HG2 THR 43 8.952 -7.959 -1.709 368 H ILE 44 H ILE 44 4.912 -9.666 -0.138 369 HA ILE 44 HA ILE 44 3.898 -7.058 -0.550 370 HB ILE 44 HB ILE 44 2.585 -9.629 0.364 371 1HG1 ILE 44 1HG1 ILE 44 2.482 -8.165 -2.312 372 2HG1 ILE 44 2HG1 ILE 44 3.690 -9.394 -1.947 373 1HG2 ILE 44 1HG2 ILE 44 1.137 -7.940 1.184 374 2HG2 ILE 44 2HG2 ILE 44 0.450 -8.357 -0.385 375 3HG2 ILE 44 3HG2 ILE 44 1.415 -6.884 -0.212 376 1HD1 ILE 44 1HD1 ILE 44 0.706 -9.887 -2.020 377 2HD1 ILE 44 2HD1 ILE 44 1.943 -11.075 -1.548 378 3HD1 ILE 44 3HD1 ILE 44 1.914 -10.414 -3.192 379 H GLN 45 H GLN 45 4.046 -8.990 2.456 380 HA GLN 45 HA GLN 45 2.857 -7.042 4.155 381 1HB GLN 45 1HB GLN 45 4.754 -9.337 4.692 382 2HB GLN 45 2HB GLN 45 4.001 -8.355 5.964 383 1HG GLN 45 1HG GLN 45 1.766 -8.980 5.259 384 2HG GLN 45 2HG GLN 45 2.344 -9.730 3.792 385 1HE2 GLN 45 1HE2 GLN 45 3.235 -10.030 7.294 386 2HE2 GLN 45 2HE2 GLN 45 3.143 -11.783 7.285 387 H THR 46 H THR 46 6.274 -7.518 3.151 388 HA THR 46 HA THR 46 7.323 -5.477 4.852 389 HB THR 46 HB THR 46 8.397 -6.363 2.141 390 HG1 THR 46 HG1 THR 46 8.111 -8.108 3.590 391 1HG2 THR 46 1HG2 THR 46 9.748 -5.102 4.567 392 2HG2 THR 46 2HG2 THR 46 10.570 -5.703 3.114 393 3HG2 THR 46 3HG2 THR 46 9.483 -4.308 2.999 394 H MET 47 H MET 47 6.179 -5.352 1.413 395 HA MET 47 HA MET 47 6.602 -2.593 0.996 396 1HB MET 47 1HB MET 47 4.465 -4.446 -0.141 397 2HB MET 47 2HB MET 47 4.846 -2.835 -0.762 398 1HG MET 47 1HG MET 47 7.111 -3.521 -1.320 399 2HG MET 47 2HG MET 47 6.907 -5.073 -0.551 400 1HE MET 47 1HE MET 47 6.659 -3.162 -3.846 401 2HE MET 47 2HE MET 47 5.022 -2.908 -3.193 402 3HE MET 47 3HE MET 47 5.254 -3.910 -4.646 403 H LEU 48 H LEU 48 3.635 -4.263 2.163 404 HA LEU 48 HA LEU 48 2.038 -1.988 2.642 405 1HB LEU 48 1HB LEU 48 2.240 -4.663 4.073 406 2HB LEU 48 2HB LEU 48 1.007 -3.476 4.483 407 HG LEU 48 HG LEU 48 1.313 -4.470 1.625 408 1HD1 LEU 48 1HD1 LEU 48 -0.366 -5.717 3.846 409 2HD1 LEU 48 2HD1 LEU 48 1.040 -6.458 3.063 410 3HD1 LEU 48 3HD1 LEU 48 -0.415 -6.149 2.122 411 1HD2 LEU 48 1HD2 LEU 48 -1.038 -3.365 3.232 412 2HD2 LEU 48 2HD2 LEU 48 -0.126 -2.473 1.997 413 3HD2 LEU 48 3HD2 LEU 48 -1.098 -3.883 1.538 414 H LEU 49 H LEU 49 4.208 -3.694 4.951 415 HA LEU 49 HA LEU 49 3.945 -2.001 7.148 416 1HB LEU 49 1HB LEU 49 4.965 -4.141 7.235 417 2HB LEU 49 2HB LEU 49 6.295 -3.660 6.189 418 HG LEU 49 HG LEU 49 5.923 -2.029 8.683 419 1HD1 LEU 49 1HD1 LEU 49 5.492 -4.291 9.537 420 2HD1 LEU 49 2HD1 LEU 49 7.084 -3.719 10.065 421 3HD1 LEU 49 3HD1 LEU 49 6.961 -4.894 8.737 422 1HD2 LEU 49 1HD2 LEU 49 8.404 -2.186 8.674 423 2HD2 LEU 49 2HD2 LEU 49 8.339 -3.320 7.314 424 3HD2 LEU 49 3HD2 LEU 49 7.823 -1.640 7.091 425 H ARG 50 H ARG 50 6.294 -1.688 4.432 426 HA ARG 50 HA ARG 50 7.671 0.570 5.389 427 1HB ARG 50 1HB ARG 50 7.099 -0.338 2.567 428 2HB ARG 50 2HB ARG 50 8.153 1.017 2.951 429 1HG ARG 50 1HG ARG 50 8.613 -1.626 4.375 430 2HG ARG 50 2HG ARG 50 9.056 -1.456 2.681 431 1HD ARG 50 1HD ARG 50 10.459 0.509 3.223 432 2HD ARG 50 2HD ARG 50 9.985 0.391 4.917 433 HE ARG 50 HE ARG 50 11.446 -1.315 5.270 434 1HH1 ARG 50 1HH1 ARG 50 11.037 -0.952 1.782 435 2HH1 ARG 50 2HH1 ARG 50 12.304 -2.077 1.369 436 1HH2 ARG 50 1HH2 ARG 50 13.080 -2.802 4.756 437 2HH2 ARG 50 2HH2 ARG 50 13.480 -3.155 3.098 438 H LEU 51 H LEU 51 4.912 0.630 2.919 439 HA LEU 51 HA LEU 51 4.493 3.316 2.842 440 1HB LEU 51 1HB LEU 51 2.952 0.736 2.510 441 2HB LEU 51 2HB LEU 51 2.112 2.176 2.348 442 HG LEU 51 HG LEU 51 3.412 2.930 0.562 443 1HD1 LEU 51 1HD1 LEU 51 5.373 0.658 0.867 444 2HD1 LEU 51 2HD1 LEU 51 5.682 2.400 1.069 445 3HD1 LEU 51 3HD1 LEU 51 5.263 1.747 -0.511 446 1HD2 LEU 51 1HD2 LEU 51 3.012 1.147 -1.132 447 2HD2 LEU 51 2HD2 LEU 51 1.686 1.195 0.047 448 3HD2 LEU 51 3HD2 LEU 51 2.936 -0.061 0.166 449 H ILE 52 H ILE 52 2.977 0.911 5.099 450 HA ILE 52 HA ILE 52 1.282 2.761 6.395 451 HB ILE 52 HB ILE 52 2.557 0.188 7.353 452 1HG1 ILE 52 1HG1 ILE 52 -0.344 0.743 6.629 453 2HG1 ILE 52 2HG1 ILE 52 0.826 0.305 5.393 454 1HG2 ILE 52 1HG2 ILE 52 1.991 1.489 9.361 455 2HG2 ILE 52 2HG2 ILE 52 0.382 1.851 8.701 456 3HG2 ILE 52 3HG2 ILE 52 0.822 0.191 9.155 457 1HD1 ILE 52 1HD1 ILE 52 1.390 -1.772 6.750 458 2HD1 ILE 52 2HD1 ILE 52 -0.037 -1.405 7.743 459 3HD1 ILE 52 3HD1 ILE 52 -0.210 -1.705 6.002 460 H LYS 53 H LYS 53 4.637 1.740 7.343 461 HA LYS 53 HA LYS 53 4.810 3.499 9.574 462 1HB LYS 53 1HB LYS 53 6.955 2.386 7.725 463 2HB LYS 53 2HB LYS 53 7.281 3.361 9.177 464 1HG LYS 53 1HG LYS 53 6.232 1.741 10.627 465 2HG LYS 53 2HG LYS 53 5.633 0.810 9.254 466 1HD LYS 53 1HD LYS 53 7.520 -0.313 10.227 467 2HD LYS 53 2HD LYS 53 7.923 0.216 8.589 468 1HE LYS 53 1HE LYS 53 8.693 1.909 11.001 469 2HE LYS 53 2HE LYS 53 9.659 0.500 10.541 470 1HZ LYS 53 1HZ LYS 53 9.985 1.425 8.397 471 2HZ LYS 53 2HZ LYS 53 10.504 2.472 9.558 472 3HZ LYS 53 3HZ LYS 53 9.091 2.757 8.764 473 H LYS 54 H LYS 54 5.493 4.058 6.096 474 HA LYS 54 HA LYS 54 6.349 6.778 6.600 475 1HB LYS 54 1HB LYS 54 6.664 4.973 4.514 476 2HB LYS 54 2HB LYS 54 5.526 6.127 3.830 477 1HG LYS 54 1HG LYS 54 8.254 6.703 5.082 478 2HG LYS 54 2HG LYS 54 7.878 6.697 3.356 479 1HD LYS 54 1HD LYS 54 6.335 8.638 3.679 480 2HD LYS 54 2HD LYS 54 6.728 8.658 5.404 481 1HE LYS 54 1HE LYS 54 9.123 9.013 4.873 482 2HE LYS 54 2HE LYS 54 8.719 9.108 3.149 483 1HZ LYS 54 1HZ LYS 54 8.875 11.249 4.255 484 2HZ LYS 54 2HZ LYS 54 7.380 11.022 3.618 485 3HZ LYS 54 3HZ LYS 54 7.619 10.860 5.242 486 H GLY 55 H GLY 55 3.303 5.631 7.077 487 1HA GLY 55 1HA GLY 55 1.288 6.657 7.219 488 2HA GLY 55 2HA GLY 55 2.088 8.207 6.911 489 H ALA 56 H ALA 56 2.389 5.588 4.597 490 HA ALA 56 HA ALA 56 1.173 7.111 2.470 491 1HB ALA 56 1HB ALA 56 1.994 4.202 2.625 492 2HB ALA 56 2HB ALA 56 1.628 5.027 1.125 493 3HB ALA 56 3HB ALA 56 3.057 5.493 2.079 494 H LEU 57 H LEU 57 0.418 4.189 4.311 495 HA LEU 57 HA LEU 57 -2.483 4.220 3.576 496 1HB LEU 57 1HB LEU 57 -0.448 1.984 3.784 497 2HB LEU 57 2HB LEU 57 -2.137 1.679 4.178 498 HG LEU 57 HG LEU 57 -2.906 2.146 1.995 499 1HD1 LEU 57 1HD1 LEU 57 -1.585 4.012 1.203 500 2HD1 LEU 57 2HD1 LEU 57 -1.343 2.675 0.094 501 3HD1 LEU 57 3HD1 LEU 57 -0.083 3.057 1.282 502 1HD2 LEU 57 1HD2 LEU 57 -1.917 -0.081 2.427 503 2HD2 LEU 57 2HD2 LEU 57 -1.711 0.407 0.735 504 3HD2 LEU 57 3HD2 LEU 57 -0.339 0.505 1.855 505 H ASN 58 H ASN 58 -3.817 3.375 5.343 506 HA ASN 58 HA ASN 58 -2.612 3.320 8.073 507 1HB ASN 58 1HB ASN 58 -4.933 5.033 7.063 508 2HB ASN 58 2HB ASN 58 -4.913 4.410 8.712 509 1HD2 ASN 58 1HD2 ASN 58 -1.701 5.261 7.466 510 2HD2 ASN 58 2HD2 ASN 58 -1.637 6.772 8.353 511 H HIS 59 H HIS 59 -3.914 1.788 9.433 512 HA HIS 59 HA HIS 59 -5.879 0.278 7.854 513 1HB HIS 59 1HB HIS 59 -4.821 -1.774 7.942 514 2HB HIS 59 2HB HIS 59 -3.460 -0.686 7.684 515 HD2 HIS 59 HD2 HIS 59 -1.528 -0.776 9.616 516 HE1 HIS 59 HE1 HIS 59 -3.538 -3.502 12.162 517 HE2 HIS 59 HE2 HIS 59 -1.327 -2.292 11.756 518 H HIS 60 H HIS 60 -7.145 -1.218 9.005 519 HA HIS 60 HA HIS 60 -7.500 -0.613 11.911 520 1HB HIS 60 1HB HIS 60 -9.226 0.602 10.866 521 2HB HIS 60 2HB HIS 60 -9.532 -0.754 9.776 522 HD2 HIS 60 HD2 HIS 60 -11.901 -1.843 10.521 523 HE1 HIS 60 HE1 HIS 60 -11.167 -1.961 14.689 524 HE2 HIS 60 HE2 HIS 60 -12.808 -2.629 12.857 525 H LYS 61 H LYS 61 -8.182 -2.431 13.139 526 HA LYS 61 HA LYS 61 -7.495 -5.063 11.940 527 1HB LYS 61 1HB LYS 61 -6.720 -4.032 14.238 528 2HB LYS 61 2HB LYS 61 -8.268 -4.613 14.832 529 1HG LYS 61 1HG LYS 61 -6.014 -6.222 13.536 530 2HG LYS 61 2HG LYS 61 -6.454 -6.173 15.245 531 1HD LYS 61 1HD LYS 61 -8.729 -7.155 14.590 532 2HD LYS 61 2HD LYS 61 -8.045 -7.434 12.970 533 1HE LYS 61 1HE LYS 61 -6.139 -8.700 14.079 534 2HE LYS 61 2HE LYS 61 -6.984 -8.512 15.629 535 1HZ LYS 61 1HZ LYS 61 -7.459 -10.600 14.698 536 2HZ LYS 61 2HZ LYS 61 -8.846 -9.714 14.612 537 3HZ LYS 61 3HZ LYS 61 -7.927 -9.956 13.263 538 H GLU 62 H GLU 62 -9.330 -5.384 10.550 539 HA GLU 62 HA GLU 62 -12.004 -4.973 11.686 540 1HB GLU 62 1HB GLU 62 -11.372 -4.384 9.338 541 2HB GLU 62 2HB GLU 62 -11.277 -6.121 8.981 542 1HG GLU 62 1HG GLU 62 -13.665 -6.377 9.664 543 2HG GLU 62 2HG GLU 62 -13.735 -4.652 10.060 544 H GLY 63 H GLY 63 -11.586 -6.495 13.424 545 1HA GLY 63 1HA GLY 63 -12.391 -8.357 14.497 546 2HA GLY 63 2HA GLY 63 -13.154 -8.866 12.991 547 H ARG 64 H ARG 64 -11.281 -9.574 11.294 548 HA ARG 64 HA ARG 64 -9.579 -11.629 12.685 549 1HB ARG 64 1HB ARG 64 -11.321 -11.923 10.232 550 2HB ARG 64 2HB ARG 64 -9.925 -12.952 10.585 551 1HG ARG 64 1HG ARG 64 -11.631 -14.136 11.554 552 2HG ARG 64 2HG ARG 64 -10.940 -13.328 12.938 553 1HD ARG 64 1HD ARG 64 -12.854 -11.636 12.539 554 2HD ARG 64 2HD ARG 64 -13.505 -12.773 11.380 555 HE ARG 64 HE ARG 64 -14.231 -14.111 13.092 556 1HH1 ARG 64 1HH1 ARG 64 -11.844 -11.823 14.488 557 2HH1 ARG 64 2HH1 ARG 64 -12.232 -12.270 16.115 558 1HH2 ARG 64 1HH2 ARG 64 -14.678 -14.663 15.234 559 2HH2 ARG 64 2HH2 ARG 64 -13.837 -13.901 16.554 560 H VAL 65 H VAL 65 -9.896 -10.002 9.427 561 HA VAL 65 HA VAL 65 -6.908 -9.929 9.349 562 HB VAL 65 HB VAL 65 -7.331 -9.579 6.873 563 1HG1 VAL 65 1HG1 VAL 65 -6.446 -11.679 7.792 564 2HG1 VAL 65 2HG1 VAL 65 -8.095 -12.263 8.101 565 3HG1 VAL 65 3HG1 VAL 65 -7.540 -11.997 6.435 566 1HG2 VAL 65 1HG2 VAL 65 -9.392 -10.381 5.907 567 2HG2 VAL 65 2HG2 VAL 65 -9.819 -9.116 7.081 568 3HG2 VAL 65 3HG2 VAL 65 -10.051 -10.829 7.484 569 H PHE 66 H PHE 66 -5.944 -7.954 8.801 570 HA PHE 66 HA PHE 66 -7.581 -5.671 9.636 571 1HB PHE 66 1HB PHE 66 -5.182 -4.565 9.047 572 2HB PHE 66 2HB PHE 66 -5.704 -5.078 10.617 573 HD1 PHE 66 HD1 PHE 66 -5.276 -7.636 11.261 574 HD2 PHE 66 HD2 PHE 66 -3.009 -5.271 8.465 575 HE1 PHE 66 HE1 PHE 66 -3.362 -9.194 11.495 576 HE2 PHE 66 HE2 PHE 66 -1.103 -6.836 8.684 577 HZ PHE 66 HZ PHE 66 -1.278 -8.811 10.191 578 H VAL 67 H VAL 67 -7.882 -3.831 8.444 579 HA VAL 67 HA VAL 67 -7.999 -4.200 5.514 580 HB VAL 67 HB VAL 67 -9.822 -2.818 7.501 581 1HG1 VAL 67 1HG1 VAL 67 -11.184 -2.103 5.530 582 2HG1 VAL 67 2HG1 VAL 67 -9.845 -2.581 4.465 583 3HG1 VAL 67 3HG1 VAL 67 -9.639 -1.256 5.643 584 1HG2 VAL 67 1HG2 VAL 67 -10.146 -5.278 7.053 585 2HG2 VAL 67 2HG2 VAL 67 -10.339 -4.896 5.328 586 3HG2 VAL 67 3HG2 VAL 67 -11.510 -4.285 6.500 587 H TYR 68 H TYR 68 -6.852 -2.878 4.289 588 HA TYR 68 HA TYR 68 -5.417 -0.600 5.557 589 1HB TYR 68 1HB TYR 68 -5.011 -1.817 2.804 590 2HB TYR 68 2HB TYR 68 -3.979 -0.661 3.634 591 HD1 TYR 68 HD1 TYR 68 -2.750 -1.404 5.749 592 HD2 TYR 68 HD2 TYR 68 -4.667 -4.141 3.036 593 HE1 TYR 68 HE1 TYR 68 -1.697 -3.332 6.940 594 HE2 TYR 68 HE2 TYR 68 -3.358 -5.989 4.021 595 HH TYR 68 HH TYR 68 -2.588 -6.605 6.199 596 H THR 69 H THR 69 -6.019 1.433 5.103 597 HA THR 69 HA THR 69 -7.780 2.020 2.788 598 HB THR 69 HB THR 69 -7.422 3.652 5.292 599 HG1 THR 69 HG1 THR 69 -9.524 1.850 4.639 600 1HG2 THR 69 1HG2 THR 69 -8.279 4.981 3.470 601 2HG2 THR 69 2HG2 THR 69 -9.522 3.764 3.102 602 3HG2 THR 69 3HG2 THR 69 -9.577 4.664 4.628 603 HA PRO 70 HA PRO 70 -4.024 4.273 1.526 604 1HB PRO 70 1HB PRO 70 -5.743 6.082 -0.067 605 2HB PRO 70 2HB PRO 70 -4.477 4.953 -0.613 606 1HG PRO 70 1HG PRO 70 -7.232 4.549 -0.996 607 2HG PRO 70 2HG PRO 70 -6.003 3.257 -0.940 608 1HD PRO 70 1HD PRO 70 -7.926 4.091 1.240 609 2HD PRO 70 2HD PRO 70 -7.255 2.492 0.788 610 H ASN 71 H ASN 71 -3.073 5.983 2.705 611 HA ASN 71 HA ASN 71 -4.880 7.914 4.073 612 1HB ASN 71 1HB ASN 71 -3.219 6.804 5.469 613 2HB ASN 71 2HB ASN 71 -1.915 7.400 4.437 614 1HD2 ASN 71 1HD2 ASN 71 -0.881 9.150 5.284 615 2HD2 ASN 71 2HD2 ASN 71 -1.685 10.414 6.215 616 H ILE 72 H ILE 72 -2.422 7.591 1.533 617 HA ILE 72 HA ILE 72 -2.874 10.442 0.778 618 HB ILE 72 HB ILE 72 -0.835 10.546 -0.187 619 1HG1 ILE 72 1HG1 ILE 72 -0.648 8.732 -1.627 620 2HG1 ILE 72 2HG1 ILE 72 0.762 8.685 -0.575 621 1HG2 ILE 72 1HG2 ILE 72 -0.606 10.505 2.234 622 2HG2 ILE 72 2HG2 ILE 72 -0.303 8.758 2.205 623 3HG2 ILE 72 3HG2 ILE 72 0.844 9.871 1.442 624 1HD1 ILE 72 1HD1 ILE 72 -1.560 6.820 -0.042 625 2HD1 ILE 72 2HD1 ILE 72 -0.217 6.460 -1.102 626 3HD1 ILE 72 3HD1 ILE 72 0.106 6.819 0.574 627 H ASP 73 H ASP 73 -3.359 10.945 -1.483 628 HA ASP 73 HA ASP 73 -4.801 8.821 -2.884 629 1HB ASP 73 1HB ASP 73 -5.783 10.677 -3.985 630 2HB ASP 73 2HB ASP 73 -5.853 11.012 -2.267 631 H GLU 74 H GLU 74 -4.593 8.928 -5.294 632 HA GLU 74 HA GLU 74 -2.115 8.312 -6.237 633 1HB GLU 74 1HB GLU 74 -3.036 8.515 -8.464 634 2HB GLU 74 2HB GLU 74 -4.173 7.788 -7.312 635 1HG GLU 74 1HG GLU 74 -5.258 10.069 -7.078 636 2HG GLU 74 2HG GLU 74 -4.282 10.607 -8.457 637 H SER 75 H SER 75 -3.581 11.586 -6.541 638 HA SER 75 HA SER 75 -1.531 12.814 -7.902 639 1HB SER 75 1HB SER 75 -2.975 14.393 -5.803 640 2HB SER 75 2HB SER 75 -2.727 14.731 -7.521 641 HG SER 75 HG SER 75 -4.705 13.266 -6.223 642 H ASP 76 H ASP 76 -1.396 11.732 -4.571 643 HA ASP 76 HA ASP 76 0.529 13.703 -3.675 644 1HB ASP 76 1HB ASP 76 -0.914 12.396 -2.129 645 2HB ASP 76 2HB ASP 76 -0.072 10.914 -2.627 646 H TYR 77 H TYR 77 0.753 10.893 -5.797 647 HA TYR 77 HA TYR 77 3.457 10.271 -5.020 648 1HB TYR 77 1HB TYR 77 1.960 8.549 -5.863 649 2HB TYR 77 2HB TYR 77 1.860 9.373 -7.420 650 HD1 TYR 77 HD1 TYR 77 4.850 8.594 -5.197 651 HD2 TYR 77 HD2 TYR 77 2.942 8.031 -9.033 652 HE1 TYR 77 HE1 TYR 77 6.895 7.548 -6.076 653 HE2 TYR 77 HE2 TYR 77 4.943 6.797 -9.824 654 HH TYR 77 HH TYR 77 7.593 5.943 -7.592 655 H ILE 78 H ILE 78 3.864 12.740 -5.274 656 HA ILE 78 HA ILE 78 5.422 13.132 -7.802 657 HB ILE 78 HB ILE 78 4.576 15.263 -5.777 658 1HG1 ILE 78 1HG1 ILE 78 3.209 14.357 -8.332 659 2HG1 ILE 78 2HG1 ILE 78 2.538 14.433 -6.700 660 1HG2 ILE 78 1HG2 ILE 78 5.575 15.485 -8.653 661 2HG2 ILE 78 2HG2 ILE 78 5.355 16.807 -7.484 662 3HG2 ILE 78 3HG2 ILE 78 6.629 15.613 -7.233 663 1HD1 ILE 78 1HD1 ILE 78 1.641 16.276 -7.922 664 2HD1 ILE 78 2HD1 ILE 78 3.244 16.820 -8.438 665 3HD1 ILE 78 3HD1 ILE 78 2.777 16.920 -6.720 666 H GLU 79 H GLU 79 7.209 11.862 -7.092 667 HA GLU 79 HA GLU 79 7.828 11.715 -4.290 668 1HB GLU 79 1HB GLU 79 8.156 9.992 -6.152 669 2HB GLU 79 2HB GLU 79 9.697 10.798 -6.472 670 1HG GLU 79 1HG GLU 79 8.774 9.700 -3.759 671 2HG GLU 79 2HG GLU 79 9.785 8.825 -4.908 672 H VAL 80 H VAL 80 8.236 13.712 -3.504 673 HA VAL 80 HA VAL 80 10.747 15.108 -4.253 674 HB VAL 80 HB VAL 80 8.414 16.140 -2.796 675 1HG1 VAL 80 1HG1 VAL 80 9.518 18.363 -3.084 676 2HG1 VAL 80 2HG1 VAL 80 10.924 17.549 -3.797 677 3HG1 VAL 80 3HG1 VAL 80 10.496 17.278 -2.096 678 1HG2 VAL 80 1HG2 VAL 80 8.058 17.571 -4.825 679 2HG2 VAL 80 2HG2 VAL 80 7.858 15.854 -5.180 680 3HG2 VAL 80 3HG2 VAL 80 9.359 16.679 -5.643 681 H LYS 81 H LYS 81 12.241 15.412 -2.692 682 HA LYS 81 HA LYS 81 11.909 14.177 -0.013 683 1HB LYS 81 1HB LYS 81 14.393 13.567 -0.331 684 2HB LYS 81 2HB LYS 81 13.173 12.525 -1.050 685 1HG LYS 81 1HG LYS 81 14.366 14.714 -2.755 686 2HG LYS 81 2HG LYS 81 15.309 13.264 -2.420 687 1HD LYS 81 1HD LYS 81 13.696 11.787 -3.368 688 2HD LYS 81 2HD LYS 81 12.470 13.038 -3.506 689 1HE LYS 81 1HE LYS 81 13.953 14.264 -5.139 690 2HE LYS 81 2HE LYS 81 15.046 12.863 -5.100 691 1HZ LYS 81 1HZ LYS 81 13.519 12.699 -6.904 692 2HZ LYS 81 2HZ LYS 81 12.213 12.865 -5.910 693 3HZ LYS 81 3HZ LYS 81 13.154 11.522 -5.803 694 H SER 82 H SER 82 11.289 16.441 0.417 695 HA SER 82 HA SER 82 13.619 17.915 1.380 696 1HB SER 82 1HB SER 82 11.669 19.205 -0.570 697 2HB SER 82 2HB SER 82 12.980 20.018 0.302 698 HG SER 82 HG SER 82 14.093 17.981 -0.926 Start of MODEL 6 1 1H MET 1 1H MET 1 3.684 11.617 4.274 2 2H MET 1 2H MET 1 4.807 10.407 4.535 3 3H MET 1 3H MET 1 5.173 11.799 3.667 4 HA MET 1 HA MET 1 4.453 11.778 6.512 5 1HB MET 1 1HB MET 1 7.083 12.543 5.123 6 2HB MET 1 2HB MET 1 6.760 12.623 6.863 7 1HG MET 1 1HG MET 1 6.986 10.125 5.170 8 2HG MET 1 2HG MET 1 8.077 10.676 6.432 9 1HE MET 1 1HE MET 1 6.164 9.945 9.712 10 2HE MET 1 2HE MET 1 6.133 11.512 8.878 11 3HE MET 1 3HE MET 1 7.646 10.570 8.957 12 H LYS 2 H LYS 2 5.998 14.434 6.605 13 HA LYS 2 HA LYS 2 3.917 16.232 5.800 14 1HB LYS 2 1HB LYS 2 5.707 16.762 7.461 15 2HB LYS 2 2HB LYS 2 6.914 16.748 6.162 16 1HG LYS 2 1HG LYS 2 5.722 18.628 5.045 17 2HG LYS 2 2HG LYS 2 4.487 18.591 6.320 18 1HD LYS 2 1HD LYS 2 6.202 19.164 8.018 19 2HD LYS 2 2HD LYS 2 7.468 19.099 6.782 20 1HE LYS 2 1HE LYS 2 6.867 21.421 7.229 21 2HE LYS 2 2HE LYS 2 6.415 20.992 5.572 22 1HZ LYS 2 1HZ LYS 2 4.588 21.077 7.875 23 2HZ LYS 2 2HZ LYS 2 4.710 22.225 6.700 24 3HZ LYS 2 3HZ LYS 2 4.165 20.719 6.322 25 H LYS 3 H LYS 3 6.967 15.079 4.345 26 HA LYS 3 HA LYS 3 6.452 16.181 1.686 27 1HB LYS 3 1HB LYS 3 8.360 14.071 2.815 28 2HB LYS 3 2HB LYS 3 8.175 14.368 1.090 29 1HG LYS 3 1HG LYS 3 10.077 15.505 1.793 30 2HG LYS 3 2HG LYS 3 8.874 16.713 1.354 31 1HD LYS 3 1HD LYS 3 8.417 17.201 3.704 32 2HD LYS 3 2HD LYS 3 9.438 15.846 4.238 33 1HE LYS 3 1HE LYS 3 10.460 18.249 2.649 34 2HE LYS 3 2HE LYS 3 10.538 18.109 4.414 35 1HZ LYS 3 1HZ LYS 3 11.836 16.281 2.505 36 2HZ LYS 3 2HZ LYS 3 11.877 16.150 4.146 37 3HZ LYS 3 3HZ LYS 3 12.571 17.446 3.402 38 H ILE 4 H ILE 4 5.226 15.170 0.132 39 HA ILE 4 HA ILE 4 3.498 13.022 0.767 40 HB ILE 4 HB ILE 4 3.065 12.927 -1.700 41 1HG1 ILE 4 1HG1 ILE 4 5.201 15.105 -1.869 42 2HG1 ILE 4 2HG1 ILE 4 5.308 13.465 -2.538 43 1HG2 ILE 4 1HG2 ILE 4 3.072 15.753 -0.565 44 2HG2 ILE 4 2HG2 ILE 4 1.924 14.486 -0.090 45 3HG2 ILE 4 3HG2 ILE 4 1.944 15.065 -1.752 46 1HD1 ILE 4 1HD1 ILE 4 3.369 15.653 -3.390 47 2HD1 ILE 4 2HD1 ILE 4 3.328 13.970 -3.975 48 3HD1 ILE 4 3HD1 ILE 4 4.740 15.006 -4.292 49 HA PRO 5 HA PRO 5 6.123 9.631 0.822 50 1HB PRO 5 1HB PRO 5 4.649 7.535 -0.236 51 2HB PRO 5 2HB PRO 5 4.415 8.275 1.365 52 1HG PRO 5 1HG PRO 5 2.891 8.913 -1.155 53 2HG PRO 5 2HG PRO 5 2.244 8.580 0.474 54 1HD PRO 5 1HD PRO 5 2.564 11.105 -0.410 55 2HD PRO 5 2HD PRO 5 2.970 10.695 1.282 56 H GLN 6 H GLN 6 7.926 9.434 -0.258 57 HA GLN 6 HA GLN 6 8.208 9.757 -3.099 58 1HB GLN 6 1HB GLN 6 10.210 8.780 -0.998 59 2HB GLN 6 2HB GLN 6 10.558 9.267 -2.657 60 1HG GLN 6 1HG GLN 6 11.136 11.163 -1.497 61 2HG GLN 6 2HG GLN 6 9.506 11.558 -2.036 62 1HE2 GLN 6 1HE2 GLN 6 10.658 13.031 0.029 63 2HE2 GLN 6 2HE2 GLN 6 9.905 12.585 1.550 64 H ILE 7 H ILE 7 6.617 8.104 -3.620 65 HA ILE 7 HA ILE 7 7.144 5.321 -3.137 66 HB ILE 7 HB ILE 7 5.221 6.933 -4.805 67 1HG1 ILE 7 1HG1 ILE 7 4.990 6.888 -2.345 68 2HG1 ILE 7 2HG1 ILE 7 3.583 6.349 -3.234 69 1HG2 ILE 7 1HG2 ILE 7 5.221 3.913 -4.791 70 2HG2 ILE 7 2HG2 ILE 7 3.881 4.942 -5.310 71 3HG2 ILE 7 3HG2 ILE 7 5.421 5.013 -6.166 72 1HD1 ILE 7 1HD1 ILE 7 5.609 4.572 -1.776 73 2HD1 ILE 7 2HD1 ILE 7 3.945 4.941 -1.302 74 3HD1 ILE 7 3HD1 ILE 7 4.265 3.956 -2.743 75 H SER 8 H SER 8 7.644 3.667 -4.500 76 HA SER 8 HA SER 8 9.166 4.348 -6.999 77 1HB SER 8 1HB SER 8 9.319 1.871 -5.223 78 2HB SER 8 2HB SER 8 10.354 2.247 -6.613 79 HG SER 8 HG SER 8 10.134 3.905 -4.313 80 H ASP 9 H ASP 9 8.769 2.876 -8.854 81 HA ASP 9 HA ASP 9 6.147 2.449 -9.514 82 1HB ASP 9 1HB ASP 9 7.915 2.382 -11.140 83 2HB ASP 9 2HB ASP 9 8.564 0.874 -10.462 84 H ALA 10 H ALA 10 8.300 -0.111 -8.214 85 HA ALA 10 HA ALA 10 6.353 -2.167 -8.166 86 1HB ALA 10 1HB ALA 10 7.939 -3.341 -6.693 87 2HB ALA 10 2HB ALA 10 8.824 -1.827 -6.407 88 3HB ALA 10 3HB ALA 10 8.799 -2.556 -8.031 89 H GLU 11 H GLU 11 6.625 0.564 -6.065 90 HA GLU 11 HA GLU 11 5.043 -0.710 -3.891 91 1HB GLU 11 1HB GLU 11 6.246 2.039 -4.321 92 2HB GLU 11 2HB GLU 11 5.310 1.634 -2.907 93 1HG GLU 11 1HG GLU 11 6.932 -0.023 -2.205 94 2HG GLU 11 2HG GLU 11 7.792 0.059 -3.746 95 H LEU 12 H LEU 12 4.925 1.950 -6.292 96 HA LEU 12 HA LEU 12 2.337 2.791 -5.949 97 1HB LEU 12 1HB LEU 12 4.083 3.862 -7.385 98 2HB LEU 12 2HB LEU 12 3.890 2.595 -8.549 99 HG LEU 12 HG LEU 12 1.440 3.348 -8.805 100 1HD1 LEU 12 1HD1 LEU 12 0.921 5.633 -7.974 101 2HD1 LEU 12 2HD1 LEU 12 1.217 4.526 -6.622 102 3HD1 LEU 12 3HD1 LEU 12 2.469 5.680 -7.115 103 1HD2 LEU 12 1HD2 LEU 12 3.157 3.988 -10.418 104 2HD2 LEU 12 2HD2 LEU 12 2.052 5.346 -10.141 105 3HD2 LEU 12 3HD2 LEU 12 3.664 5.342 -9.389 106 H GLU 13 H GLU 13 3.427 0.008 -8.017 107 HA GLU 13 HA GLU 13 0.968 -0.475 -9.258 108 1HB GLU 13 1HB GLU 13 1.639 -2.734 -9.587 109 2HB GLU 13 2HB GLU 13 3.074 -1.693 -9.777 110 1HG GLU 13 1HG GLU 13 3.742 -2.533 -7.595 111 2HG GLU 13 2HG GLU 13 2.321 -3.600 -7.563 112 H VAL 14 H VAL 14 1.891 -1.184 -5.943 113 HA VAL 14 HA VAL 14 -0.447 -2.898 -5.507 114 HB VAL 14 HB VAL 14 0.512 -3.621 -3.676 115 1HG1 VAL 14 1HG1 VAL 14 2.977 -2.573 -5.129 116 2HG1 VAL 14 2HG1 VAL 14 2.923 -3.922 -4.004 117 3HG1 VAL 14 3HG1 VAL 14 2.020 -4.011 -5.519 118 1HG2 VAL 14 1HG2 VAL 14 1.993 -2.572 -2.097 119 2HG2 VAL 14 2HG2 VAL 14 1.945 -1.057 -3.000 120 3HG2 VAL 14 3HG2 VAL 14 0.470 -1.698 -2.258 121 H MET 15 H MET 15 0.729 0.384 -4.806 122 HA MET 15 HA MET 15 -1.406 1.264 -3.168 123 1HB MET 15 1HB MET 15 -0.115 2.920 -5.373 124 2HB MET 15 2HB MET 15 -1.024 3.475 -3.967 125 1HG MET 15 1HG MET 15 0.783 2.430 -2.512 126 2HG MET 15 2HG MET 15 1.705 2.185 -3.982 127 1HE MET 15 1HE MET 15 0.788 6.187 -1.971 128 2HE MET 15 2HE MET 15 -0.454 4.938 -2.245 129 3HE MET 15 3HE MET 15 0.897 4.614 -1.142 130 H LYS 16 H LYS 16 -1.177 1.001 -6.754 131 HA LYS 16 HA LYS 16 -3.678 2.100 -7.378 132 1HB LYS 16 1HB LYS 16 -1.860 1.402 -8.982 133 2HB LYS 16 2HB LYS 16 -2.408 -0.267 -8.780 134 1HG LYS 16 1HG LYS 16 -3.400 0.512 -10.760 135 2HG LYS 16 2HG LYS 16 -4.708 0.488 -9.566 136 1HD LYS 16 1HD LYS 16 -4.462 2.948 -9.239 137 2HD LYS 16 2HD LYS 16 -3.120 2.976 -10.392 138 1HE LYS 16 1HE LYS 16 -6.002 2.151 -11.007 139 2HE LYS 16 2HE LYS 16 -5.283 3.729 -11.365 140 1HZ LYS 16 1HZ LYS 16 -5.257 2.343 -13.273 141 2HZ LYS 16 2HZ LYS 16 -3.708 2.626 -12.788 142 3HZ LYS 16 3HZ LYS 16 -4.413 1.165 -12.494 143 H VAL 17 H VAL 17 -2.973 -1.346 -6.627 144 HA VAL 17 HA VAL 17 -5.647 -2.294 -6.776 145 HB VAL 17 HB VAL 17 -3.059 -3.234 -5.653 146 1HG1 VAL 17 1HG1 VAL 17 -4.027 -5.052 -4.311 147 2HG1 VAL 17 2HG1 VAL 17 -5.631 -4.306 -4.430 148 3HG1 VAL 17 3HG1 VAL 17 -4.305 -3.492 -3.562 149 1HG2 VAL 17 1HG2 VAL 17 -3.719 -5.308 -6.712 150 2HG2 VAL 17 2HG2 VAL 17 -4.097 -3.981 -7.824 151 3HG2 VAL 17 3HG2 VAL 17 -5.396 -4.750 -6.885 152 H ILE 18 H ILE 18 -3.840 -0.759 -4.098 153 HA ILE 18 HA ILE 18 -6.018 -1.093 -2.262 154 HB ILE 18 HB ILE 18 -3.585 0.693 -2.113 155 1HG1 ILE 18 1HG1 ILE 18 -4.313 -2.065 -0.970 156 2HG1 ILE 18 2HG1 ILE 18 -3.188 -1.793 -2.289 157 1HG2 ILE 18 1HG2 ILE 18 -5.249 -0.215 0.266 158 2HG2 ILE 18 2HG2 ILE 18 -4.057 1.084 0.187 159 3HG2 ILE 18 3HG2 ILE 18 -5.630 1.292 -0.574 160 1HD1 ILE 18 1HD1 ILE 18 -1.940 -2.250 -0.336 161 2HD1 ILE 18 2HD1 ILE 18 -2.778 -0.994 0.584 162 3HD1 ILE 18 3HD1 ILE 18 -1.690 -0.552 -0.777 163 H TRP 19 H TRP 19 -5.028 1.951 -4.091 164 HA TRP 19 HA TRP 19 -7.230 3.462 -3.210 165 1HB TRP 19 1HB TRP 19 -5.766 3.514 -5.867 166 2HB TRP 19 2HB TRP 19 -6.970 4.705 -5.387 167 HD1 TRP 19 HD1 TRP 19 -6.247 5.637 -2.637 168 HE1 TRP 19 HE1 TRP 19 -4.064 6.899 -2.106 169 HE3 TRP 19 HE3 TRP 19 -3.479 4.172 -6.680 170 HZ2 TRP 19 HZ2 TRP 19 -1.414 7.127 -3.267 171 HZ3 TRP 19 HZ3 TRP 19 -1.154 4.939 -6.950 172 HH2 TRP 19 HH2 TRP 19 -0.092 6.372 -5.205 173 H LYS 20 H LYS 20 -7.169 0.939 -5.718 174 HA LYS 20 HA LYS 20 -9.725 1.521 -6.820 175 1HB LYS 20 1HB LYS 20 -7.949 0.184 -7.892 176 2HB LYS 20 2HB LYS 20 -8.122 -1.056 -6.659 177 1HG LYS 20 1HG LYS 20 -9.149 -1.724 -8.754 178 2HG LYS 20 2HG LYS 20 -10.309 -1.676 -7.433 179 1HD LYS 20 1HD LYS 20 -11.278 -0.788 -9.501 180 2HD LYS 20 2HD LYS 20 -11.236 0.457 -8.254 181 1HE LYS 20 1HE LYS 20 -9.228 1.471 -9.303 182 2HE LYS 20 2HE LYS 20 -9.177 0.159 -10.500 183 1HZ LYS 20 1HZ LYS 20 -11.304 0.900 -11.290 184 2HZ LYS 20 2HZ LYS 20 -11.349 2.108 -10.169 185 3HZ LYS 20 3HZ LYS 20 -10.205 2.126 -11.355 186 H HIS 21 H HIS 21 -8.997 0.147 -3.696 187 HA HIS 21 HA HIS 21 -11.385 -1.555 -3.569 188 1HB HIS 21 1HB HIS 21 -10.499 -2.273 -1.528 189 2HB HIS 21 2HB HIS 21 -9.095 -2.098 -2.546 190 HD2 HIS 21 HD2 HIS 21 -7.381 -1.724 -0.496 191 HE1 HIS 21 HE1 HIS 21 -8.826 2.086 0.603 192 HE2 HIS 21 HE2 HIS 21 -7.038 0.313 1.126 193 H SER 22 H SER 22 -12.299 -1.300 -0.995 194 HA SER 22 HA SER 22 -13.391 1.478 -0.693 195 1HB SER 22 1HB SER 22 -14.825 0.192 1.018 196 2HB SER 22 2HB SER 22 -15.113 -0.198 -0.692 197 HG SER 22 HG SER 22 -14.868 -2.114 0.536 198 H SER 23 H SER 23 -12.150 -1.273 1.093 199 HA SER 23 HA SER 23 -9.868 0.177 2.093 200 1HB SER 23 1HB SER 23 -11.294 0.389 4.058 201 2HB SER 23 2HB SER 23 -11.577 -1.364 4.059 202 HG SER 23 HG SER 23 -8.946 -0.230 4.189 203 H ILE 24 H ILE 24 -8.784 -2.232 3.363 204 HA ILE 24 HA ILE 24 -9.656 -4.556 1.934 205 HB ILE 24 HB ILE 24 -8.359 -3.567 0.159 206 1HG1 ILE 24 1HG1 ILE 24 -6.792 -5.972 1.028 207 2HG1 ILE 24 2HG1 ILE 24 -8.508 -6.082 0.590 208 1HG2 ILE 24 1HG2 ILE 24 -5.890 -3.923 1.909 209 2HG2 ILE 24 2HG2 ILE 24 -6.677 -2.360 1.621 210 3HG2 ILE 24 3HG2 ILE 24 -5.960 -3.244 0.269 211 1HD1 ILE 24 1HD1 ILE 24 -6.361 -4.948 -1.249 212 2HD1 ILE 24 2HD1 ILE 24 -8.085 -5.140 -1.615 213 3HD1 ILE 24 3HD1 ILE 24 -7.071 -6.566 -1.347 214 H ASN 25 H ASN 25 -8.803 -6.555 2.859 215 HA ASN 25 HA ASN 25 -7.439 -6.131 5.495 216 1HB ASN 25 1HB ASN 25 -7.943 -8.412 6.009 217 2HB ASN 25 2HB ASN 25 -9.417 -7.506 5.844 218 1HD2 ASN 25 1HD2 ASN 25 -10.881 -8.201 4.155 219 2HD2 ASN 25 2HD2 ASN 25 -10.541 -9.587 3.139 220 H THR 26 H THR 26 -5.637 -7.541 6.005 221 HA THR 26 HA THR 26 -3.691 -7.530 4.144 222 HB THR 26 HB THR 26 -3.401 -9.852 5.963 223 HG1 THR 26 HG1 THR 26 -3.987 -7.276 7.005 224 1HG2 THR 26 1HG2 THR 26 -1.288 -8.775 6.423 225 2HG2 THR 26 2HG2 THR 26 -1.891 -7.219 5.862 226 3HG2 THR 26 3HG2 THR 26 -1.597 -8.523 4.697 227 H ASN 27 H ASN 27 -5.740 -10.452 4.758 228 HA ASN 27 HA ASN 27 -4.309 -12.160 3.028 229 1HB ASN 27 1HB ASN 27 -6.075 -12.969 4.563 230 2HB ASN 27 2HB ASN 27 -7.308 -12.198 3.554 231 1HD2 ASN 27 1HD2 ASN 27 -4.825 -14.773 3.641 232 2HD2 ASN 27 2HD2 ASN 27 -5.482 -15.663 2.282 233 H GLU 28 H GLU 28 -7.178 -10.101 2.280 234 HA GLU 28 HA GLU 28 -7.252 -10.724 -0.493 235 1HB GLU 28 1HB GLU 28 -8.161 -8.313 1.119 236 2HB GLU 28 2HB GLU 28 -8.534 -8.521 -0.601 237 1HG GLU 28 1HG GLU 28 -9.320 -10.545 1.536 238 2HG GLU 28 2HG GLU 28 -10.347 -9.248 0.899 239 H VAL 29 H VAL 29 -5.442 -8.195 1.322 240 HA VAL 29 HA VAL 29 -4.389 -6.948 -0.995 241 HB VAL 29 HB VAL 29 -4.046 -6.654 1.806 242 1HG1 VAL 29 1HG1 VAL 29 -1.330 -6.925 0.426 243 2HG1 VAL 29 2HG1 VAL 29 -1.614 -6.138 1.972 244 3HG1 VAL 29 3HG1 VAL 29 -1.892 -7.869 1.822 245 1HG2 VAL 29 1HG2 VAL 29 -2.820 -5.077 -0.480 246 2HG2 VAL 29 2HG2 VAL 29 -4.491 -4.940 0.097 247 3HG2 VAL 29 3HG2 VAL 29 -3.159 -4.492 1.167 248 H ILE 30 H ILE 30 -3.061 -9.728 0.884 249 HA ILE 30 HA ILE 30 -0.812 -10.039 -0.840 250 HB ILE 30 HB ILE 30 -2.155 -12.178 0.853 251 1HG1 ILE 30 1HG1 ILE 30 -0.219 -9.925 1.438 252 2HG1 ILE 30 2HG1 ILE 30 -1.578 -10.515 2.387 253 1HG2 ILE 30 1HG2 ILE 30 0.705 -12.038 -0.185 254 2HG2 ILE 30 2HG2 ILE 30 -0.025 -13.350 0.754 255 3HG2 ILE 30 3HG2 ILE 30 -0.559 -13.064 -0.895 256 1HD1 ILE 30 1HD1 ILE 30 0.411 -11.010 3.575 257 2HD1 ILE 30 2HD1 ILE 30 1.165 -11.745 2.162 258 3HD1 ILE 30 3HD1 ILE 30 -0.214 -12.554 2.963 259 H LYS 31 H LYS 31 -4.065 -11.529 -0.975 260 HA LYS 31 HA LYS 31 -3.677 -13.168 -3.235 261 1HB LYS 31 1HB LYS 31 -6.137 -11.609 -2.376 262 2HB LYS 31 2HB LYS 31 -6.137 -12.855 -3.615 263 1HG LYS 31 1HG LYS 31 -5.219 -13.406 -0.759 264 2HG LYS 31 2HG LYS 31 -6.894 -13.542 -1.300 265 1HD LYS 31 1HD LYS 31 -6.211 -15.229 -2.982 266 2HD LYS 31 2HD LYS 31 -4.519 -15.048 -2.509 267 1HE LYS 31 1HE LYS 31 -5.551 -17.050 -1.481 268 2HE LYS 31 2HE LYS 31 -4.949 -15.900 -0.276 269 1HZ LYS 31 1HZ LYS 31 -7.756 -16.089 -1.124 270 2HZ LYS 31 2HZ LYS 31 -7.152 -15.156 0.099 271 3HZ LYS 31 3HZ LYS 31 -7.134 -16.796 0.228 272 H GLU 32 H GLU 32 -4.835 -9.741 -3.194 273 HA GLU 32 HA GLU 32 -4.937 -9.490 -6.041 274 1HB GLU 32 1HB GLU 32 -4.864 -7.484 -3.768 275 2HB GLU 32 2HB GLU 32 -4.654 -6.972 -5.430 276 1HG GLU 32 1HG GLU 32 -6.958 -6.753 -4.600 277 2HG GLU 32 2HG GLU 32 -6.724 -7.718 -6.048 278 H LEU 33 H LEU 33 -2.364 -8.406 -3.728 279 HA LEU 33 HA LEU 33 -0.676 -7.354 -5.739 280 1HB LEU 33 1HB LEU 33 -0.224 -8.281 -2.930 281 2HB LEU 33 2HB LEU 33 1.166 -8.033 -3.973 282 HG LEU 33 HG LEU 33 0.662 -5.884 -4.251 283 1HD1 LEU 33 1HD1 LEU 33 -1.762 -5.736 -4.585 284 2HD1 LEU 33 2HD1 LEU 33 -1.371 -4.647 -3.258 285 3HD1 LEU 33 3HD1 LEU 33 -2.058 -6.221 -2.902 286 1HD2 LEU 33 1HD2 LEU 33 0.613 -4.947 -1.888 287 2HD2 LEU 33 2HD2 LEU 33 0.119 -6.557 -1.357 288 3HD2 LEU 33 3HD2 LEU 33 1.705 -6.315 -2.145 289 H SER 34 H SER 34 -0.870 -10.728 -4.496 290 HA SER 34 HA SER 34 1.262 -11.795 -5.951 291 1HB SER 34 1HB SER 34 -1.427 -13.106 -5.391 292 2HB SER 34 2HB SER 34 0.060 -13.932 -5.888 293 HG SER 34 HG SER 34 -0.321 -12.424 -3.510 294 H LYS 35 H LYS 35 -1.967 -10.825 -7.185 295 HA LYS 35 HA LYS 35 -1.698 -12.208 -9.722 296 1HB LYS 35 1HB LYS 35 -3.414 -9.804 -8.963 297 2HB LYS 35 2HB LYS 35 -3.538 -10.736 -10.448 298 1HG LYS 35 1HG LYS 35 -4.140 -12.763 -9.213 299 2HG LYS 35 2HG LYS 35 -3.874 -11.937 -7.676 300 1HD LYS 35 1HD LYS 35 -5.706 -10.292 -8.301 301 2HD LYS 35 2HD LYS 35 -5.998 -11.259 -9.755 302 1HE LYS 35 1HE LYS 35 -7.614 -11.936 -8.091 303 2HE LYS 35 2HE LYS 35 -6.446 -13.256 -8.266 304 1HZ LYS 35 1HZ LYS 35 -6.544 -11.241 -6.120 305 2HZ LYS 35 2HZ LYS 35 -5.334 -12.348 -6.284 306 3HZ LYS 35 3HZ LYS 35 -6.879 -12.845 -5.994 307 H THR 36 H THR 36 -1.108 -8.888 -8.533 308 HA THR 36 HA THR 36 -0.342 -7.852 -11.100 309 HB THR 36 HB THR 36 0.402 -5.882 -9.912 310 HG1 THR 36 HG1 THR 36 0.330 -7.585 -7.684 311 1HG2 THR 36 1HG2 THR 36 -1.708 -5.304 -8.834 312 2HG2 THR 36 2HG2 THR 36 -2.049 -6.309 -10.257 313 3HG2 THR 36 3HG2 THR 36 -2.142 -7.007 -8.629 314 H SER 37 H SER 37 1.610 -9.026 -8.327 315 HA SER 37 HA SER 37 3.755 -9.842 -10.163 316 1HB SER 37 1HB SER 37 4.140 -7.903 -7.853 317 2HB SER 37 2HB SER 37 5.453 -8.839 -8.609 318 HG SER 37 HG SER 37 3.855 -6.812 -9.770 319 H THR 38 H THR 38 4.139 -11.956 -9.574 320 HA THR 38 HA THR 38 2.989 -13.065 -7.186 321 HB THR 38 HB THR 38 4.104 -15.136 -8.110 322 HG1 THR 38 HG1 THR 38 5.852 -14.088 -9.059 323 1HG2 THR 38 1HG2 THR 38 2.772 -15.250 -10.178 324 2HG2 THR 38 2HG2 THR 38 2.491 -13.500 -10.128 325 3HG2 THR 38 3HG2 THR 38 1.831 -14.544 -8.852 326 H TRP 39 H TRP 39 4.382 -11.334 -5.860 327 HA TRP 39 HA TRP 39 7.095 -12.314 -5.221 328 1HB TRP 39 1HB TRP 39 5.404 -10.198 -3.875 329 2HB TRP 39 2HB TRP 39 7.132 -10.465 -3.698 330 HD1 TRP 39 HD1 TRP 39 8.406 -10.153 -6.334 331 HE1 TRP 39 HE1 TRP 39 8.358 -7.890 -7.600 332 HE3 TRP 39 HE3 TRP 39 4.084 -8.183 -4.390 333 HZ2 TRP 39 HZ2 TRP 39 6.769 -5.505 -7.613 334 HZ3 TRP 39 HZ3 TRP 39 3.347 -5.939 -5.049 335 HH2 TRP 39 HH2 TRP 39 4.737 -4.544 -6.554 336 H SER 40 H SER 40 7.618 -13.064 -3.014 337 HA SER 40 HA SER 40 5.788 -14.837 -1.894 338 1HB SER 40 1HB SER 40 8.156 -13.528 -0.503 339 2HB SER 40 2HB SER 40 7.492 -15.151 -0.211 340 HG SER 40 HG SER 40 9.365 -15.133 -1.605 341 HA PRO 41 HA PRO 41 3.120 -12.369 0.710 342 1HB PRO 41 1HB PRO 41 3.886 -14.359 2.864 343 2HB PRO 41 2HB PRO 41 2.284 -13.654 2.549 344 1HG PRO 41 1HG PRO 41 2.790 -16.074 1.523 345 2HG PRO 41 2HG PRO 41 2.106 -14.830 0.446 346 1HD PRO 41 1HD PRO 41 5.003 -15.690 0.650 347 2HD PRO 41 2HD PRO 41 3.988 -15.396 -0.797 348 H LYS 42 H LYS 42 6.242 -13.289 2.270 349 HA LYS 42 HA LYS 42 6.293 -11.109 4.121 350 1HB LYS 42 1HB LYS 42 8.542 -12.714 2.830 351 2HB LYS 42 2HB LYS 42 8.788 -11.590 4.156 352 1HG LYS 42 1HG LYS 42 7.098 -14.129 4.216 353 2HG LYS 42 2HG LYS 42 8.681 -13.900 4.948 354 1HD LYS 42 1HD LYS 42 6.068 -12.570 5.828 355 2HD LYS 42 2HD LYS 42 6.956 -13.860 6.619 356 1HE LYS 42 1HE LYS 42 7.587 -12.042 7.886 357 2HE LYS 42 2HE LYS 42 8.953 -12.191 6.773 358 1HZ LYS 42 1HZ LYS 42 8.198 -9.941 7.029 359 2HZ LYS 42 2HZ LYS 42 7.939 -10.415 5.477 360 3HZ LYS 42 3HZ LYS 42 6.679 -10.332 6.531 361 H THR 43 H THR 43 7.606 -11.455 0.797 362 HA THR 43 HA THR 43 8.840 -8.915 0.606 363 HB THR 43 HB THR 43 7.500 -10.551 -1.576 364 HG1 THR 43 HG1 THR 43 10.063 -10.861 -0.424 365 1HG2 THR 43 1HG2 THR 43 8.330 -8.387 -2.373 366 2HG2 THR 43 2HG2 THR 43 9.919 -8.698 -1.638 367 3HG2 THR 43 3HG2 THR 43 9.348 -9.700 -2.989 368 H ILE 44 H ILE 44 5.515 -10.088 -0.105 369 HA ILE 44 HA ILE 44 4.466 -7.595 -1.013 370 HB ILE 44 HB ILE 44 3.245 -10.087 0.188 371 1HG1 ILE 44 1HG1 ILE 44 2.820 -8.643 -2.451 372 2HG1 ILE 44 2HG1 ILE 44 4.109 -9.823 -2.178 373 1HG2 ILE 44 1HG2 ILE 44 1.783 -8.513 1.165 374 2HG2 ILE 44 2HG2 ILE 44 1.911 -7.401 -0.199 375 3HG2 ILE 44 3HG2 ILE 44 0.993 -8.900 -0.365 376 1HD1 ILE 44 1HD1 ILE 44 1.145 -10.442 -2.019 377 2HD1 ILE 44 2HD1 ILE 44 2.272 -10.901 -3.301 378 3HD1 ILE 44 3HD1 ILE 44 2.477 -11.578 -1.678 379 H GLN 45 H GLN 45 4.327 -9.019 2.321 380 HA GLN 45 HA GLN 45 3.260 -6.720 3.520 381 1HB GLN 45 1HB GLN 45 4.968 -8.995 4.533 382 2HB GLN 45 2HB GLN 45 4.494 -7.685 5.616 383 1HG GLN 45 1HG GLN 45 2.540 -9.367 3.961 384 2HG GLN 45 2HG GLN 45 2.854 -9.568 5.685 385 1HE2 GLN 45 1HE2 GLN 45 2.836 -7.038 6.759 386 2HE2 GLN 45 2HE2 GLN 45 1.320 -6.221 6.383 387 H THR 46 H THR 46 6.633 -7.350 2.719 388 HA THR 46 HA THR 46 7.754 -5.148 4.073 389 HB THR 46 HB THR 46 8.604 -6.090 1.308 390 HG1 THR 46 HG1 THR 46 8.438 -7.796 2.927 391 1HG2 THR 46 1HG2 THR 46 10.835 -5.386 2.078 392 2HG2 THR 46 2HG2 THR 46 10.129 -4.763 3.582 393 3HG2 THR 46 3HG2 THR 46 9.714 -4.015 2.022 394 H MET 47 H MET 47 5.882 -5.204 0.976 395 HA MET 47 HA MET 47 6.368 -2.475 0.269 396 1HB MET 47 1HB MET 47 3.999 -4.202 -0.446 397 2HB MET 47 2HB MET 47 4.412 -2.623 -1.108 398 1HG MET 47 1HG MET 47 6.130 -5.124 -1.317 399 2HG MET 47 2HG MET 47 5.151 -4.351 -2.564 400 1HE MET 47 1HE MET 47 8.586 -3.736 -4.100 401 2HE MET 47 2HE MET 47 6.901 -4.225 -4.394 402 3HE MET 47 3HE MET 47 7.934 -5.192 -3.311 403 H LEU 48 H LEU 48 3.438 -4.007 2.024 404 HA LEU 48 HA LEU 48 2.197 -1.642 2.650 405 1HB LEU 48 1HB LEU 48 2.529 -4.279 4.148 406 2HB LEU 48 2HB LEU 48 1.332 -3.057 4.533 407 HG LEU 48 HG LEU 48 0.493 -4.868 3.322 408 1HD1 LEU 48 1HD1 LEU 48 -0.529 -2.509 3.143 409 2HD1 LEU 48 2HD1 LEU 48 -0.987 -3.607 1.829 410 3HD1 LEU 48 3HD1 LEU 48 0.266 -2.384 1.562 411 1HD2 LEU 48 1HD2 LEU 48 1.873 -4.294 0.823 412 2HD2 LEU 48 2HD2 LEU 48 2.083 -5.659 1.983 413 3HD2 LEU 48 3HD2 LEU 48 0.548 -5.432 1.154 414 H LEU 49 H LEU 49 4.827 -3.313 4.444 415 HA LEU 49 HA LEU 49 4.922 -1.598 6.663 416 1HB LEU 49 1HB LEU 49 6.010 -3.757 6.520 417 2HB LEU 49 2HB LEU 49 7.137 -3.183 5.302 418 HG LEU 49 HG LEU 49 7.994 -3.477 7.636 419 1HD1 LEU 49 1HD1 LEU 49 9.185 -2.157 5.906 420 2HD1 LEU 49 2HD1 LEU 49 8.424 -0.683 6.537 421 3HD1 LEU 49 3HD1 LEU 49 9.505 -1.633 7.566 422 1HD2 LEU 49 1HD2 LEU 49 6.073 -2.492 8.854 423 2HD2 LEU 49 2HD2 LEU 49 6.525 -0.882 8.253 424 3HD2 LEU 49 3HD2 LEU 49 7.627 -1.773 9.314 425 H ARG 50 H ARG 50 6.782 -1.338 3.544 426 HA ARG 50 HA ARG 50 8.123 1.092 4.118 427 1HB ARG 50 1HB ARG 50 7.080 -0.063 1.489 428 2HB ARG 50 2HB ARG 50 8.034 1.410 1.646 429 1HG ARG 50 1HG ARG 50 9.743 0.073 2.916 430 2HG ARG 50 2HG ARG 50 8.923 -1.401 2.378 431 1HD ARG 50 1HD ARG 50 9.097 -0.583 0.010 432 2HD ARG 50 2HD ARG 50 10.009 0.827 0.624 433 HE ARG 50 HE ARG 50 11.291 -1.543 1.509 434 1HH1 ARG 50 1HH1 ARG 50 10.641 0.266 -1.467 435 2HH1 ARG 50 2HH1 ARG 50 12.083 -0.280 -2.283 436 1HH2 ARG 50 1HH2 ARG 50 13.180 -2.279 0.441 437 2HH2 ARG 50 2HH2 ARG 50 13.548 -1.761 -1.182 438 H LEU 51 H LEU 51 5.017 0.540 2.523 439 HA LEU 51 HA LEU 51 4.296 3.255 2.082 440 1HB LEU 51 1HB LEU 51 2.482 0.873 2.641 441 2HB LEU 51 2HB LEU 51 1.931 2.437 2.052 442 HG LEU 51 HG LEU 51 3.858 0.603 0.553 443 1HD1 LEU 51 1HD1 LEU 51 1.531 -0.273 0.685 444 2HD1 LEU 51 2HD1 LEU 51 1.995 0.202 -0.955 445 3HD1 LEU 51 3HD1 LEU 51 0.941 1.261 -0.002 446 1HD2 LEU 51 1HD2 LEU 51 2.594 3.253 -0.199 447 2HD2 LEU 51 2HD2 LEU 51 3.339 2.136 -1.362 448 3HD2 LEU 51 3HD2 LEU 51 4.330 2.864 -0.095 449 H ILE 52 H ILE 52 3.596 1.223 4.980 450 HA ILE 52 HA ILE 52 2.300 3.294 6.428 451 HB ILE 52 HB ILE 52 3.799 0.805 7.313 452 1HG1 ILE 52 1HG1 ILE 52 0.821 1.424 7.323 453 2HG1 ILE 52 2HG1 ILE 52 1.590 0.718 5.916 454 1HG2 ILE 52 1HG2 ILE 52 2.663 1.143 9.527 455 2HG2 ILE 52 2HG2 ILE 52 2.098 2.728 8.969 456 3HG2 ILE 52 3HG2 ILE 52 3.831 2.408 9.190 457 1HD1 ILE 52 1HD1 ILE 52 2.321 -1.235 7.183 458 2HD1 ILE 52 2HD1 ILE 52 0.565 -0.997 7.306 459 3HD1 ILE 52 3HD1 ILE 52 1.606 -0.576 8.669 460 H LYS 53 H LYS 53 5.783 2.277 6.439 461 HA LYS 53 HA LYS 53 6.631 4.188 8.331 462 1HB LYS 53 1HB LYS 53 8.119 2.927 5.997 463 2HB LYS 53 2HB LYS 53 8.860 4.045 7.153 464 1HG LYS 53 1HG LYS 53 8.171 2.544 9.040 465 2HG LYS 53 2HG LYS 53 7.517 1.408 7.858 466 1HD LYS 53 1HD LYS 53 9.680 0.622 8.510 467 2HD LYS 53 2HD LYS 53 9.823 1.212 6.842 468 1HE LYS 53 1HE LYS 53 10.892 3.288 7.647 469 2HE LYS 53 2HE LYS 53 10.612 2.805 9.332 470 1HZ LYS 53 1HZ LYS 53 12.304 1.391 7.395 471 2HZ LYS 53 2HZ LYS 53 12.056 0.944 8.962 472 3HZ LYS 53 3HZ LYS 53 12.831 2.358 8.621 473 H LYS 54 H LYS 54 6.285 4.607 4.771 474 HA LYS 54 HA LYS 54 7.214 7.370 4.929 475 1HB LYS 54 1HB LYS 54 5.794 5.858 2.713 476 2HB LYS 54 2HB LYS 54 6.475 7.493 2.576 477 1HG LYS 54 1HG LYS 54 8.711 6.559 3.304 478 2HG LYS 54 2HG LYS 54 8.040 4.939 3.136 479 1HD LYS 54 1HD LYS 54 8.341 7.073 0.961 480 2HD LYS 54 2HD LYS 54 9.296 5.600 1.124 481 1HE LYS 54 1HE LYS 54 6.330 5.779 0.426 482 2HE LYS 54 2HE LYS 54 7.663 5.314 -0.639 483 1HZ LYS 54 1HZ LYS 54 6.802 3.829 1.743 484 2HZ LYS 54 2HZ LYS 54 6.493 3.416 0.175 485 3HZ LYS 54 3HZ LYS 54 8.042 3.414 0.736 486 H GLY 55 H GLY 55 4.382 6.116 6.177 487 1HA GLY 55 1HA GLY 55 2.477 7.106 6.886 488 2HA GLY 55 2HA GLY 55 3.160 8.681 6.448 489 H ALA 56 H ALA 56 2.754 5.986 4.162 490 HA ALA 56 HA ALA 56 1.059 7.687 2.457 491 1HB ALA 56 1HB ALA 56 2.112 4.870 1.968 492 2HB ALA 56 2HB ALA 56 1.419 5.986 0.778 493 3HB ALA 56 3HB ALA 56 2.979 6.354 1.539 494 H LEU 57 H LEU 57 0.918 4.629 4.296 495 HA LEU 57 HA LEU 57 -2.063 4.531 3.965 496 1HB LEU 57 1HB LEU 57 0.044 2.387 3.714 497 2HB LEU 57 2HB LEU 57 -1.539 1.988 4.375 498 HG LEU 57 HG LEU 57 -2.705 2.648 2.393 499 1HD1 LEU 57 1HD1 LEU 57 -1.524 4.442 1.374 500 2HD1 LEU 57 2HD1 LEU 57 -1.393 3.111 0.251 501 3HD1 LEU 57 3HD1 LEU 57 -0.005 3.519 1.275 502 1HD2 LEU 57 1HD2 LEU 57 -0.299 0.838 1.961 503 2HD2 LEU 57 2HD2 LEU 57 -1.909 0.378 2.545 504 3HD2 LEU 57 3HD2 LEU 57 -1.696 0.944 0.875 505 H ASN 58 H ASN 58 -3.206 4.003 5.744 506 HA ASN 58 HA ASN 58 -1.851 3.881 8.410 507 1HB ASN 58 1HB ASN 58 -3.230 5.830 8.264 508 2HB ASN 58 2HB ASN 58 -4.506 4.981 7.391 509 1HD2 ASN 58 1HD2 ASN 58 -6.104 3.845 8.512 510 2HD2 ASN 58 2HD2 ASN 58 -6.128 3.750 10.273 511 H HIS 59 H HIS 59 -2.514 2.046 9.754 512 HA HIS 59 HA HIS 59 -4.404 0.159 8.486 513 1HB HIS 59 1HB HIS 59 -2.961 -1.704 8.973 514 2HB HIS 59 2HB HIS 59 -2.149 -0.548 7.930 515 HD2 HIS 59 HD2 HIS 59 -0.617 -2.742 9.983 516 HE1 HIS 59 HE1 HIS 59 0.729 0.828 11.817 517 HE2 HIS 59 HE2 HIS 59 1.132 -1.685 11.632 518 H HIS 60 H HIS 60 -5.218 -1.463 9.837 519 HA HIS 60 HA HIS 60 -5.342 -0.875 12.762 520 1HB HIS 60 1HB HIS 60 -7.136 0.419 12.096 521 2HB HIS 60 2HB HIS 60 -7.527 -0.708 10.800 522 HD2 HIS 60 HD2 HIS 60 -9.825 -1.961 11.338 523 HE1 HIS 60 HE1 HIS 60 -9.275 -2.460 15.505 524 HE2 HIS 60 HE2 HIS 60 -10.842 -2.953 13.537 525 H LYS 61 H LYS 61 -5.879 -2.767 13.996 526 HA LYS 61 HA LYS 61 -5.536 -5.344 12.562 527 1HB LYS 61 1HB LYS 61 -4.153 -5.102 14.488 528 2HB LYS 61 2HB LYS 61 -5.506 -4.570 15.485 529 1HG LYS 61 1HG LYS 61 -4.812 -6.910 15.947 530 2HG LYS 61 2HG LYS 61 -6.504 -6.738 15.527 531 1HD LYS 61 1HD LYS 61 -5.693 -8.705 14.459 532 2HD LYS 61 2HD LYS 61 -5.980 -7.534 13.179 533 1HE LYS 61 1HE LYS 61 -3.464 -6.999 13.279 534 2HE LYS 61 2HE LYS 61 -3.312 -8.326 14.441 535 1HZ LYS 61 1HZ LYS 61 -4.260 -9.781 12.740 536 2HZ LYS 61 2HZ LYS 61 -4.266 -8.530 11.677 537 3HZ LYS 61 3HZ LYS 61 -2.834 -9.090 12.271 538 H GLU 62 H GLU 62 -7.536 -5.856 11.554 539 HA GLU 62 HA GLU 62 -10.006 -5.243 13.076 540 1HB GLU 62 1HB GLU 62 -9.664 -4.764 10.587 541 2HB GLU 62 2HB GLU 62 -9.787 -6.517 10.340 542 1HG GLU 62 1HG GLU 62 -11.973 -5.671 9.982 543 2HG GLU 62 2HG GLU 62 -12.050 -6.345 11.614 544 H GLY 63 H GLY 63 -9.248 -6.673 14.737 545 1HA GLY 63 1HA GLY 63 -9.615 -8.549 16.000 546 2HA GLY 63 2HA GLY 63 -10.693 -9.154 14.737 547 H ARG 64 H ARG 64 -9.496 -9.992 12.740 548 HA ARG 64 HA ARG 64 -7.398 -11.912 13.680 549 1HB ARG 64 1HB ARG 64 -9.513 -12.866 12.963 550 2HB ARG 64 2HB ARG 64 -9.323 -12.154 11.350 551 1HG ARG 64 1HG ARG 64 -7.310 -13.482 10.941 552 2HG ARG 64 2HG ARG 64 -7.271 -14.025 12.632 553 1HD ARG 64 1HD ARG 64 -9.392 -15.179 12.356 554 2HD ARG 64 2HD ARG 64 -9.503 -14.644 10.656 555 HE ARG 64 HE ARG 64 -7.020 -15.960 11.021 556 1HH1 ARG 64 1HH1 ARG 64 -10.464 -16.724 11.002 557 2HH1 ARG 64 2HH1 ARG 64 -10.250 -18.370 10.469 558 1HH2 ARG 64 1HH2 ARG 64 -6.711 -18.108 10.324 559 2HH2 ARG 64 2HH2 ARG 64 -8.070 -19.170 10.077 560 H VAL 65 H VAL 65 -8.320 -10.015 10.707 561 HA VAL 65 HA VAL 65 -5.468 -10.126 9.829 562 HB VAL 65 HB VAL 65 -6.503 -9.532 7.599 563 1HG1 VAL 65 1HG1 VAL 65 -7.099 -11.848 7.067 564 2HG1 VAL 65 2HG1 VAL 65 -5.683 -11.793 8.131 565 3HG1 VAL 65 3HG1 VAL 65 -7.274 -12.224 8.793 566 1HG2 VAL 65 1HG2 VAL 65 -8.762 -8.806 8.407 567 2HG2 VAL 65 2HG2 VAL 65 -8.861 -10.110 7.206 568 3HG2 VAL 65 3HG2 VAL 65 -9.112 -10.476 8.905 569 H PHE 66 H PHE 66 -4.674 -8.084 8.837 570 HA PHE 66 HA PHE 66 -5.834 -5.808 10.359 571 1HB PHE 66 1HB PHE 66 -3.773 -4.645 10.114 572 2HB PHE 66 2HB PHE 66 -3.690 -6.070 11.117 573 HD1 PHE 66 HD1 PHE 66 -2.789 -8.304 9.984 574 HD2 PHE 66 HD2 PHE 66 -1.976 -4.293 8.616 575 HE1 PHE 66 HE1 PHE 66 -0.470 -8.952 9.463 576 HE2 PHE 66 HE2 PHE 66 0.391 -4.914 8.249 577 HZ PHE 66 HZ PHE 66 1.157 -7.241 8.708 578 H VAL 67 H VAL 67 -6.582 -4.124 9.390 579 HA VAL 67 HA VAL 67 -7.105 -4.311 6.517 580 HB VAL 67 HB VAL 67 -8.444 -2.908 8.849 581 1HG1 VAL 67 1HG1 VAL 67 -10.159 -2.125 7.247 582 2HG1 VAL 67 2HG1 VAL 67 -8.591 -1.375 6.916 583 3HG1 VAL 67 3HG1 VAL 67 -9.164 -2.732 5.909 584 1HG2 VAL 67 1HG2 VAL 67 -8.875 -5.378 8.444 585 2HG2 VAL 67 2HG2 VAL 67 -9.443 -4.972 6.820 586 3HG2 VAL 67 3HG2 VAL 67 -10.324 -4.373 8.236 587 H TYR 68 H TYR 68 -6.517 -2.751 5.106 588 HA TYR 68 HA TYR 68 -4.580 -0.677 6.064 589 1HB TYR 68 1HB TYR 68 -4.846 -2.055 3.370 590 2HB TYR 68 2HB TYR 68 -3.695 -0.782 3.761 591 HD1 TYR 68 HD1 TYR 68 -4.096 -4.301 3.556 592 HD2 TYR 68 HD2 TYR 68 -2.111 -1.213 5.807 593 HE1 TYR 68 HE1 TYR 68 -2.255 -5.853 4.092 594 HE2 TYR 68 HE2 TYR 68 -0.416 -2.873 6.570 595 HH TYR 68 HH TYR 68 -0.189 -6.112 5.101 596 H THR 69 H THR 69 -4.882 1.428 5.488 597 HA THR 69 HA THR 69 -7.211 2.099 3.785 598 HB THR 69 HB THR 69 -7.743 3.915 5.326 599 HG1 THR 69 HG1 THR 69 -5.739 2.625 6.821 600 1HG2 THR 69 1HG2 THR 69 -9.057 1.822 5.308 601 2HG2 THR 69 2HG2 THR 69 -7.967 1.113 6.523 602 3HG2 THR 69 3HG2 THR 69 -8.966 2.515 6.936 603 HA PRO 70 HA PRO 70 -4.134 4.704 1.747 604 1HB PRO 70 1HB PRO 70 -6.763 6.004 0.923 605 2HB PRO 70 2HB PRO 70 -5.320 5.686 -0.077 606 1HG PRO 70 1HG PRO 70 -7.479 3.942 -0.169 607 2HG PRO 70 2HG PRO 70 -5.779 3.369 -0.117 608 1HD PRO 70 1HD PRO 70 -7.810 3.598 2.104 609 2HD PRO 70 2HD PRO 70 -6.652 2.284 1.766 610 H ASN 71 H ASN 71 -3.014 6.240 3.026 611 HA ASN 71 HA ASN 71 -4.503 8.119 4.731 612 1HB ASN 71 1HB ASN 71 -2.113 6.977 5.049 613 2HB ASN 71 2HB ASN 71 -1.599 8.420 4.176 614 1HD2 ASN 71 1HD2 ASN 71 -3.295 10.438 5.072 615 2HD2 ASN 71 2HD2 ASN 71 -3.007 10.650 6.795 616 H ILE 72 H ILE 72 -2.921 7.909 1.704 617 HA ILE 72 HA ILE 72 -3.408 10.735 0.927 618 HB ILE 72 HB ILE 72 -1.793 9.941 -1.006 619 1HG1 ILE 72 1HG1 ILE 72 -0.027 8.473 -0.363 620 2HG1 ILE 72 2HG1 ILE 72 -0.664 8.293 1.265 621 1HG2 ILE 72 1HG2 ILE 72 -1.303 11.761 0.555 622 2HG2 ILE 72 2HG2 ILE 72 0.135 10.762 0.298 623 3HG2 ILE 72 3HG2 ILE 72 -0.797 10.591 1.797 624 1HD1 ILE 72 1HD1 ILE 72 -2.434 6.763 0.427 625 2HD1 ILE 72 2HD1 ILE 72 -0.873 6.282 -0.177 626 3HD1 ILE 72 3HD1 ILE 72 -1.990 7.180 -1.223 627 H ASP 73 H ASP 73 -4.575 11.197 -0.863 628 HA ASP 73 HA ASP 73 -5.506 9.224 -2.749 629 1HB ASP 73 1HB ASP 73 -7.092 9.007 -0.813 630 2HB ASP 73 2HB ASP 73 -7.447 10.735 -0.918 631 H GLU 74 H GLU 74 -6.882 10.539 -4.387 632 HA GLU 74 HA GLU 74 -6.891 12.111 -5.980 633 1HB GLU 74 1HB GLU 74 -6.566 14.127 -3.708 634 2HB GLU 74 2HB GLU 74 -7.242 14.412 -5.318 635 1HG GLU 74 1HG GLU 74 -8.413 12.544 -3.183 636 2HG GLU 74 2HG GLU 74 -9.004 14.131 -3.619 637 H SER 75 H SER 75 -4.454 13.479 -3.742 638 HA SER 75 HA SER 75 -2.498 13.845 -5.970 639 1HB SER 75 1HB SER 75 -2.318 14.437 -2.980 640 2HB SER 75 2HB SER 75 -1.099 14.842 -4.201 641 HG SER 75 HG SER 75 -3.801 15.720 -4.329 642 H ASP 76 H ASP 76 -3.083 11.403 -6.089 643 HA ASP 76 HA ASP 76 -2.359 9.436 -4.300 644 1HB ASP 76 1HB ASP 76 -2.414 9.570 -7.338 645 2HB ASP 76 2HB ASP 76 -1.901 8.102 -6.525 646 H TYR 77 H TYR 77 -0.177 10.644 -6.918 647 HA TYR 77 HA TYR 77 2.118 10.382 -5.160 648 1HB TYR 77 1HB TYR 77 2.033 8.067 -5.620 649 2HB TYR 77 2HB TYR 77 1.539 8.332 -7.291 650 HD1 TYR 77 HD1 TYR 77 3.128 7.738 -8.869 651 HD2 TYR 77 HD2 TYR 77 4.460 9.498 -5.162 652 HE1 TYR 77 HE1 TYR 77 5.487 7.424 -9.561 653 HE2 TYR 77 HE2 TYR 77 6.814 9.160 -5.856 654 HH TYR 77 HH TYR 77 8.146 7.786 -7.312 655 H ILE 78 H ILE 78 3.230 12.119 -5.653 656 HA ILE 78 HA ILE 78 3.977 12.675 -8.463 657 HB ILE 78 HB ILE 78 3.440 14.731 -6.268 658 1HG1 ILE 78 1HG1 ILE 78 1.338 13.948 -7.319 659 2HG1 ILE 78 2HG1 ILE 78 1.690 15.649 -7.601 660 1HG2 ILE 78 1HG2 ILE 78 3.999 16.391 -8.068 661 2HG2 ILE 78 2HG2 ILE 78 5.372 15.409 -7.535 662 3HG2 ILE 78 3HG2 ILE 78 4.572 15.042 -9.074 663 1HD1 ILE 78 1HD1 ILE 78 2.435 15.175 -9.892 664 2HD1 ILE 78 2HD1 ILE 78 2.185 13.432 -9.637 665 3HD1 ILE 78 3HD1 ILE 78 0.808 14.545 -9.613 666 H GLU 79 H GLU 79 6.245 12.469 -8.561 667 HA GLU 79 HA GLU 79 7.496 11.534 -6.123 668 1HB GLU 79 1HB GLU 79 8.009 10.591 -8.356 669 2HB GLU 79 2HB GLU 79 8.729 12.133 -8.840 670 1HG GLU 79 1HG GLU 79 10.446 10.501 -8.174 671 2HG GLU 79 2HG GLU 79 10.457 11.892 -7.085 672 H VAL 80 H VAL 80 7.617 13.144 -4.596 673 HA VAL 80 HA VAL 80 8.607 15.790 -5.209 674 HB VAL 80 HB VAL 80 7.044 15.451 -3.418 675 1HG1 VAL 80 1HG1 VAL 80 9.222 14.003 -1.850 676 2HG1 VAL 80 2HG1 VAL 80 7.606 14.435 -1.287 677 3HG1 VAL 80 3HG1 VAL 80 7.792 13.220 -2.557 678 1HG2 VAL 80 1HG2 VAL 80 9.719 16.420 -2.334 679 2HG2 VAL 80 2HG2 VAL 80 8.602 17.374 -3.337 680 3HG2 VAL 80 3HG2 VAL 80 8.109 16.836 -1.721 681 H LYS 81 H LYS 81 10.683 16.427 -5.404 682 HA LYS 81 HA LYS 81 12.843 14.457 -4.959 683 1HB LYS 81 1HB LYS 81 12.946 17.249 -6.153 684 2HB LYS 81 2HB LYS 81 14.189 15.996 -6.249 685 1HG LYS 81 1HG LYS 81 11.416 15.911 -7.542 686 2HG LYS 81 2HG LYS 81 12.962 16.210 -8.342 687 1HD LYS 81 1HD LYS 81 13.722 13.907 -7.719 688 2HD LYS 81 2HD LYS 81 12.168 13.627 -6.913 689 1HE LYS 81 1HE LYS 81 12.118 12.597 -9.102 690 2HE LYS 81 2HE LYS 81 10.956 13.931 -9.034 691 1HZ LYS 81 1HZ LYS 81 13.642 14.060 -10.226 692 2HZ LYS 81 2HZ LYS 81 12.537 15.283 -10.205 693 3HZ LYS 81 3HZ LYS 81 12.228 13.910 -11.058 694 H SER 82 H SER 82 11.976 14.827 -2.501 695 HA SER 82 HA SER 82 14.095 15.907 -1.062 696 1HB SER 82 1HB SER 82 13.159 18.172 -1.614 697 2HB SER 82 2HB SER 82 11.566 17.624 -1.040 698 HG SER 82 HG SER 82 12.830 17.072 0.942 Start of MODEL 7 1 1H MET 1 1H MET 1 4.217 10.538 4.979 2 2H MET 1 2H MET 1 4.597 11.888 4.062 3 3H MET 1 3H MET 1 5.329 11.664 5.497 4 HA MET 1 HA MET 1 2.534 12.296 5.107 5 1HB MET 1 1HB MET 1 3.377 10.721 7.127 6 2HB MET 1 2HB MET 1 3.861 12.267 7.828 7 1HG MET 1 1HG MET 1 1.081 11.465 6.866 8 2HG MET 1 2HG MET 1 1.607 11.580 8.546 9 1HE MET 1 1HE MET 1 -1.084 14.454 7.839 10 2HE MET 1 2HE MET 1 -0.970 12.962 6.878 11 3HE MET 1 3HE MET 1 -0.813 12.896 8.653 12 H LYS 2 H LYS 2 2.234 14.578 5.201 13 HA LYS 2 HA LYS 2 2.767 16.746 4.908 14 1HB LYS 2 1HB LYS 2 5.386 16.297 6.421 15 2HB LYS 2 2HB LYS 2 4.619 17.825 5.990 16 1HG LYS 2 1HG LYS 2 2.587 17.074 7.340 17 2HG LYS 2 2HG LYS 2 3.573 15.735 7.947 18 1HD LYS 2 1HD LYS 2 4.190 18.715 8.250 19 2HD LYS 2 2HD LYS 2 3.516 17.658 9.499 20 1HE LYS 2 1HE LYS 2 5.594 16.252 9.402 21 2HE LYS 2 2HE LYS 2 6.288 17.399 8.238 22 1HZ LYS 2 1HZ LYS 2 5.451 18.045 10.972 23 2HZ LYS 2 2HZ LYS 2 7.000 17.857 10.446 24 3HZ LYS 2 3HZ LYS 2 6.087 19.107 9.883 25 H LYS 3 H LYS 3 5.919 15.068 4.732 26 HA LYS 3 HA LYS 3 6.469 15.898 1.981 27 1HB LYS 3 1HB LYS 3 8.233 15.330 3.676 28 2HB LYS 3 2HB LYS 3 7.637 13.660 3.707 29 1HG LYS 3 1HG LYS 3 8.130 13.570 1.184 30 2HG LYS 3 2HG LYS 3 8.940 15.127 1.365 31 1HD LYS 3 1HD LYS 3 9.645 12.465 2.683 32 2HD LYS 3 2HD LYS 3 10.561 13.319 1.438 33 1HE LYS 3 1HE LYS 3 10.179 14.236 4.329 34 2HE LYS 3 2HE LYS 3 11.646 13.572 3.595 35 1HZ LYS 3 1HZ LYS 3 11.747 15.410 2.139 36 2HZ LYS 3 2HZ LYS 3 11.724 15.939 3.701 37 3HZ LYS 3 3HZ LYS 3 10.369 16.074 2.767 38 H ILE 4 H ILE 4 5.634 14.802 0.206 39 HA ILE 4 HA ILE 4 3.534 12.917 0.516 40 HB ILE 4 HB ILE 4 5.189 13.420 -1.981 41 1HG1 ILE 4 1HG1 ILE 4 4.481 15.604 -1.244 42 2HG1 ILE 4 2HG1 ILE 4 3.506 15.107 -2.615 43 1HG2 ILE 4 1HG2 ILE 4 3.054 12.864 -3.152 44 2HG2 ILE 4 2HG2 ILE 4 2.348 12.399 -1.600 45 3HG2 ILE 4 3HG2 ILE 4 3.742 11.509 -2.252 46 1HD1 ILE 4 1HD1 ILE 4 2.127 16.209 -0.937 47 2HD1 ILE 4 2HD1 ILE 4 2.623 15.057 0.308 48 3HD1 ILE 4 3HD1 ILE 4 1.633 14.515 -1.069 49 HA PRO 5 HA PRO 5 5.854 9.166 1.290 50 1HB PRO 5 1HB PRO 5 3.782 8.143 -0.705 51 2HB PRO 5 2HB PRO 5 4.454 7.228 0.685 52 1HG PRO 5 1HG PRO 5 2.092 8.519 0.819 53 2HG PRO 5 2HG PRO 5 3.242 8.836 2.160 54 1HD PRO 5 1HD PRO 5 2.622 10.550 -0.244 55 2HD PRO 5 2HD PRO 5 2.928 11.034 1.451 56 H GLN 6 H GLN 6 7.881 8.878 0.388 57 HA GLN 6 HA GLN 6 8.368 9.245 -2.453 58 1HB GLN 6 1HB GLN 6 10.077 8.442 -0.068 59 2HB GLN 6 2HB GLN 6 10.713 8.341 -1.711 60 1HG GLN 6 1HG GLN 6 9.559 10.902 -0.535 61 2HG GLN 6 2HG GLN 6 11.280 10.479 -0.526 62 1HE2 GLN 6 1HE2 GLN 6 11.031 12.807 -1.753 63 2HE2 GLN 6 2HE2 GLN 6 10.832 12.634 -3.490 64 H ILE 7 H ILE 7 6.751 7.784 -3.068 65 HA ILE 7 HA ILE 7 6.999 4.931 -2.671 66 HB ILE 7 HB ILE 7 5.264 6.812 -4.272 67 1HG1 ILE 7 1HG1 ILE 7 4.986 6.704 -1.821 68 2HG1 ILE 7 2HG1 ILE 7 3.531 6.347 -2.754 69 1HG2 ILE 7 1HG2 ILE 7 5.366 4.906 -5.640 70 2HG2 ILE 7 2HG2 ILE 7 4.967 3.816 -4.305 71 3HG2 ILE 7 3HG2 ILE 7 3.768 4.985 -4.892 72 1HD1 ILE 7 1HD1 ILE 7 5.337 4.309 -1.380 73 2HD1 ILE 7 2HD1 ILE 7 3.840 3.939 -2.278 74 3HD1 ILE 7 3HD1 ILE 7 3.778 4.901 -0.793 75 H SER 8 H SER 8 8.224 3.547 -3.774 76 HA SER 8 HA SER 8 9.449 4.282 -6.352 77 1HB SER 8 1HB SER 8 10.720 3.042 -4.630 78 2HB SER 8 2HB SER 8 9.576 1.688 -4.759 79 HG SER 8 HG SER 8 11.533 1.530 -6.085 80 H ASP 9 H ASP 9 9.389 2.173 -7.864 81 HA ASP 9 HA ASP 9 6.884 2.300 -9.212 82 1HB ASP 9 1HB ASP 9 8.871 1.762 -10.429 83 2HB ASP 9 2HB ASP 9 9.182 0.323 -9.443 84 H ALA 10 H ALA 10 8.261 -0.582 -7.557 85 HA ALA 10 HA ALA 10 5.988 -2.196 -7.664 86 1HB ALA 10 1HB ALA 10 8.111 -2.071 -5.476 87 2HB ALA 10 2HB ALA 10 6.980 -3.414 -5.743 88 3HB ALA 10 3HB ALA 10 8.195 -3.022 -6.977 89 H GLU 11 H GLU 11 6.900 0.164 -5.145 90 HA GLU 11 HA GLU 11 4.710 -0.305 -3.392 91 1HB GLU 11 1HB GLU 11 6.407 2.150 -3.946 92 2HB GLU 11 2HB GLU 11 5.184 2.069 -2.672 93 1HG GLU 11 1HG GLU 11 6.363 0.207 -1.596 94 2HG GLU 11 2HG GLU 11 7.571 0.185 -2.893 95 H LEU 12 H LEU 12 5.064 2.018 -6.159 96 HA LEU 12 HA LEU 12 2.485 3.131 -5.826 97 1HB LEU 12 1HB LEU 12 4.321 4.121 -7.189 98 2HB LEU 12 2HB LEU 12 4.163 2.880 -8.364 99 HG LEU 12 HG LEU 12 3.197 5.220 -8.764 100 1HD1 LEU 12 1HD1 LEU 12 1.365 4.504 -10.103 101 2HD1 LEU 12 2HD1 LEU 12 1.259 2.951 -9.255 102 3HD1 LEU 12 3HD1 LEU 12 2.697 3.340 -10.230 103 1HD2 LEU 12 1HD2 LEU 12 0.835 4.241 -7.111 104 2HD2 LEU 12 2HD2 LEU 12 1.017 5.796 -7.930 105 3HD2 LEU 12 3HD2 LEU 12 2.032 5.409 -6.526 106 H GLU 13 H GLU 13 3.582 0.283 -7.737 107 HA GLU 13 HA GLU 13 1.134 -0.347 -8.991 108 1HB GLU 13 1HB GLU 13 3.156 -2.197 -7.748 109 2HB GLU 13 2HB GLU 13 1.821 -2.745 -8.746 110 1HG GLU 13 1HG GLU 13 2.712 -1.393 -10.659 111 2HG GLU 13 2HG GLU 13 4.076 -0.890 -9.648 112 H VAL 14 H VAL 14 2.249 -1.371 -5.673 113 HA VAL 14 HA VAL 14 -0.275 -2.608 -5.141 114 HB VAL 14 HB VAL 14 0.322 -3.033 -3.050 115 1HG1 VAL 14 1HG1 VAL 14 3.081 -2.795 -4.285 116 2HG1 VAL 14 2HG1 VAL 14 2.481 -4.053 -3.204 117 3HG1 VAL 14 3HG1 VAL 14 1.869 -3.935 -4.871 118 1HG2 VAL 14 1HG2 VAL 14 0.819 -0.826 -2.089 119 2HG2 VAL 14 2HG2 VAL 14 2.446 -0.908 -2.808 120 3HG2 VAL 14 3HG2 VAL 14 1.949 -2.088 -1.600 121 H MET 15 H MET 15 0.902 0.742 -4.472 122 HA MET 15 HA MET 15 -1.315 1.604 -3.003 123 1HB MET 15 1HB MET 15 0.131 3.292 -5.054 124 2HB MET 15 2HB MET 15 -1.008 3.787 -3.792 125 1HG MET 15 1HG MET 15 0.733 2.389 -2.293 126 2HG MET 15 2HG MET 15 1.787 3.005 -3.535 127 1HE MET 15 1HE MET 15 -1.376 4.323 -1.594 128 2HE MET 15 2HE MET 15 -0.630 5.448 -0.446 129 3HE MET 15 3HE MET 15 -0.263 3.714 -0.346 130 H LYS 16 H LYS 16 -0.878 1.470 -6.554 131 HA LYS 16 HA LYS 16 -3.357 2.550 -7.312 132 1HB LYS 16 1HB LYS 16 -1.236 1.976 -8.718 133 2HB LYS 16 2HB LYS 16 -1.933 0.370 -8.860 134 1HG LYS 16 1HG LYS 16 -2.525 1.657 -10.802 135 2HG LYS 16 2HG LYS 16 -3.990 1.348 -9.865 136 1HD LYS 16 1HD LYS 16 -3.842 3.646 -10.824 137 2HD LYS 16 2HD LYS 16 -4.061 3.654 -9.079 138 1HE LYS 16 1HE LYS 16 -1.674 4.159 -8.732 139 2HE LYS 16 2HE LYS 16 -1.355 3.964 -10.470 140 1HZ LYS 16 1HZ LYS 16 -3.040 6.015 -9.213 141 2HZ LYS 16 2HZ LYS 16 -2.802 5.847 -10.840 142 3HZ LYS 16 3HZ LYS 16 -1.543 6.237 -9.848 143 H VAL 17 H VAL 17 -2.442 -0.874 -6.708 144 HA VAL 17 HA VAL 17 -5.026 -1.972 -7.221 145 HB VAL 17 HB VAL 17 -2.725 -2.880 -5.451 146 1HG1 VAL 17 1HG1 VAL 17 -5.324 -4.317 -6.076 147 2HG1 VAL 17 2HG1 VAL 17 -3.863 -5.100 -5.435 148 3HG1 VAL 17 3HG1 VAL 17 -4.691 -3.882 -4.468 149 1HG2 VAL 17 1HG2 VAL 17 -2.355 -2.863 -7.926 150 2HG2 VAL 17 2HG2 VAL 17 -3.792 -3.884 -8.127 151 3HG2 VAL 17 3HG2 VAL 17 -2.372 -4.501 -7.260 152 H ILE 18 H ILE 18 -3.580 -0.797 -4.145 153 HA ILE 18 HA ILE 18 -5.808 -1.336 -2.492 154 HB ILE 18 HB ILE 18 -3.750 0.879 -2.234 155 1HG1 ILE 18 1HG1 ILE 18 -3.420 -2.012 -2.042 156 2HG1 ILE 18 2HG1 ILE 18 -2.258 -0.697 -1.878 157 1HG2 ILE 18 1HG2 ILE 18 -5.636 -0.274 -0.152 158 2HG2 ILE 18 2HG2 ILE 18 -5.677 1.355 -0.840 159 3HG2 ILE 18 3HG2 ILE 18 -4.326 0.886 0.166 160 1HD1 ILE 18 1HD1 ILE 18 -2.624 -0.494 0.481 161 2HD1 ILE 18 2HD1 ILE 18 -2.193 -2.143 0.040 162 3HD1 ILE 18 3HD1 ILE 18 -3.871 -1.757 0.442 163 H TRP 19 H TRP 19 -5.055 1.570 -4.462 164 HA TRP 19 HA TRP 19 -7.439 2.994 -3.693 165 1HB TRP 19 1HB TRP 19 -5.442 3.314 -5.972 166 2HB TRP 19 2HB TRP 19 -6.826 4.378 -5.753 167 HD1 TRP 19 HD1 TRP 19 -6.824 4.996 -2.771 168 HE1 TRP 19 HE1 TRP 19 -4.986 6.502 -1.709 169 HE3 TRP 19 HE3 TRP 19 -3.084 4.505 -6.287 170 HZ2 TRP 19 HZ2 TRP 19 -2.375 7.272 -2.230 171 HZ3 TRP 19 HZ3 TRP 19 -0.888 5.574 -5.875 172 HH2 TRP 19 HH2 TRP 19 -0.521 6.972 -3.832 173 H LYS 20 H LYS 20 -6.748 0.682 -6.307 174 HA LYS 20 HA LYS 20 -9.068 1.249 -7.837 175 1HB LYS 20 1HB LYS 20 -7.191 -0.031 -8.724 176 2HB LYS 20 2HB LYS 20 -7.449 -1.313 -7.538 177 1HG LYS 20 1HG LYS 20 -8.255 -1.969 -9.715 178 2HG LYS 20 2HG LYS 20 -9.591 -1.912 -8.560 179 1HD LYS 20 1HD LYS 20 -10.322 0.271 -9.449 180 2HD LYS 20 2HD LYS 20 -8.941 0.316 -10.559 181 1HE LYS 20 1HE LYS 20 -11.181 -1.772 -10.561 182 2HE LYS 20 2HE LYS 20 -11.081 -0.374 -11.642 183 1HZ LYS 20 1HZ LYS 20 -9.025 -1.250 -12.495 184 2HZ LYS 20 2HZ LYS 20 -10.264 -2.315 -12.703 185 3HZ LYS 20 3HZ LYS 20 -9.146 -2.577 -11.524 186 H HIS 21 H HIS 21 -8.483 -1.118 -5.197 187 HA HIS 21 HA HIS 21 -11.322 -1.947 -5.146 188 1HB HIS 21 1HB HIS 21 -8.967 -2.482 -3.291 189 2HB HIS 21 2HB HIS 21 -10.607 -3.110 -3.065 190 HD2 HIS 21 HD2 HIS 21 -7.902 -3.478 -5.968 191 HE1 HIS 21 HE1 HIS 21 -10.037 -7.089 -5.414 192 HE2 HIS 21 HE2 HIS 21 -8.142 -6.006 -6.706 193 H SER 22 H SER 22 -12.703 -1.494 -3.111 194 HA SER 22 HA SER 22 -12.768 1.251 -2.521 195 1HB SER 22 1HB SER 22 -13.853 -0.941 -0.698 196 2HB SER 22 2HB SER 22 -14.507 0.681 -0.988 197 HG SER 22 HG SER 22 -14.872 -0.015 -3.182 198 H SER 23 H SER 23 -11.580 -1.447 -0.511 199 HA SER 23 HA SER 23 -9.289 0.130 0.195 200 1HB SER 23 1HB SER 23 -11.015 -1.128 2.394 201 2HB SER 23 2HB SER 23 -9.372 -0.513 2.629 202 HG SER 23 HG SER 23 -10.924 1.308 1.339 203 H ILE 24 H ILE 24 -8.121 -2.140 1.738 204 HA ILE 24 HA ILE 24 -9.082 -4.544 0.494 205 HB ILE 24 HB ILE 24 -7.664 -3.555 -1.300 206 1HG1 ILE 24 1HG1 ILE 24 -6.440 -6.134 -0.342 207 2HG1 ILE 24 2HG1 ILE 24 -8.123 -6.044 -0.892 208 1HG2 ILE 24 1HG2 ILE 24 -5.305 -4.165 0.505 209 2HG2 ILE 24 2HG2 ILE 24 -5.981 -2.544 0.253 210 3HG2 ILE 24 3HG2 ILE 24 -5.287 -3.429 -1.113 211 1HD1 ILE 24 1HD1 ILE 24 -5.763 -5.195 -2.602 212 2HD1 ILE 24 2HD1 ILE 24 -7.471 -5.200 -3.062 213 3HD1 ILE 24 3HD1 ILE 24 -6.642 -6.729 -2.727 214 H ASN 25 H ASN 25 -8.287 -6.491 1.592 215 HA ASN 25 HA ASN 25 -6.903 -5.845 4.150 216 1HB ASN 25 1HB ASN 25 -7.961 -7.532 5.235 217 2HB ASN 25 2HB ASN 25 -9.232 -6.912 4.182 218 1HD2 ASN 25 1HD2 ASN 25 -10.280 -8.963 4.693 219 2HD2 ASN 25 2HD2 ASN 25 -9.861 -10.385 3.745 220 H THR 26 H THR 26 -5.310 -7.369 5.016 221 HA THR 26 HA THR 26 -3.224 -7.704 3.384 222 HB THR 26 HB THR 26 -3.581 -9.792 5.510 223 HG1 THR 26 HG1 THR 26 -3.295 -7.015 5.998 224 1HG2 THR 26 1HG2 THR 26 -1.398 -9.548 4.396 225 2HG2 THR 26 2HG2 THR 26 -1.276 -8.976 6.073 226 3HG2 THR 26 3HG2 THR 26 -1.364 -7.817 4.737 227 H ASN 27 H ASN 27 -5.738 -10.273 3.751 228 HA ASN 27 HA ASN 27 -4.152 -12.231 2.291 229 1HB ASN 27 1HB ASN 27 -5.894 -13.064 3.709 230 2HB ASN 27 2HB ASN 27 -7.125 -12.073 2.910 231 1HD2 ASN 27 1HD2 ASN 27 -8.105 -12.850 1.008 232 2HD2 ASN 27 2HD2 ASN 27 -7.642 -14.370 0.266 233 H GLU 28 H GLU 28 -6.743 -9.903 1.440 234 HA GLU 28 HA GLU 28 -7.099 -10.771 -1.273 235 1HB GLU 28 1HB GLU 28 -7.559 -8.125 0.141 236 2HB GLU 28 2HB GLU 28 -8.146 -8.492 -1.490 237 1HG GLU 28 1HG GLU 28 -9.596 -10.234 -0.663 238 2HG GLU 28 2HG GLU 28 -8.940 -10.130 0.966 239 H VAL 29 H VAL 29 -5.159 -8.209 0.311 240 HA VAL 29 HA VAL 29 -4.096 -7.213 -2.111 241 HB VAL 29 HB VAL 29 -4.199 -6.225 0.357 242 1HG1 VAL 29 1HG1 VAL 29 -2.398 -7.670 1.319 243 2HG1 VAL 29 2HG1 VAL 29 -1.249 -6.952 0.179 244 3HG1 VAL 29 3HG1 VAL 29 -2.071 -5.943 1.387 245 1HG2 VAL 29 1HG2 VAL 29 -2.789 -4.445 -0.366 246 2HG2 VAL 29 2HG2 VAL 29 -3.719 -5.025 -1.757 247 3HG2 VAL 29 3HG2 VAL 29 -2.014 -5.483 -1.587 248 H ILE 30 H ILE 30 -2.623 -9.542 0.284 249 HA ILE 30 HA ILE 30 -0.261 -9.886 -1.226 250 HB ILE 30 HB ILE 30 -1.658 -11.694 0.761 251 1HG1 ILE 30 1HG1 ILE 30 0.841 -9.924 0.811 252 2HG1 ILE 30 2HG1 ILE 30 -0.695 -9.550 1.589 253 1HG2 ILE 30 1HG2 ILE 30 -0.327 -13.151 -0.755 254 2HG2 ILE 30 2HG2 ILE 30 0.398 -13.049 0.840 255 3HG2 ILE 30 3HG2 ILE 30 1.091 -12.113 -0.498 256 1HD1 ILE 30 1HD1 ILE 30 1.396 -11.573 2.352 257 2HD1 ILE 30 2HD1 ILE 30 0.697 -10.296 3.325 258 3HD1 ILE 30 3HD1 ILE 30 -0.269 -11.745 2.956 259 H LYS 31 H LYS 31 -3.347 -11.765 -1.423 260 HA LYS 31 HA LYS 31 -2.438 -13.490 -3.496 261 1HB LYS 31 1HB LYS 31 -5.226 -12.454 -2.850 262 2HB LYS 31 2HB LYS 31 -4.889 -13.740 -4.013 263 1HG LYS 31 1HG LYS 31 -4.187 -13.859 -1.045 264 2HG LYS 31 2HG LYS 31 -5.610 -14.580 -1.800 265 1HD LYS 31 1HD LYS 31 -4.026 -15.922 -3.280 266 2HD LYS 31 2HD LYS 31 -2.689 -15.320 -2.284 267 1HE LYS 31 1HE LYS 31 -5.070 -16.975 -1.316 268 2HE LYS 31 2HE LYS 31 -3.403 -17.536 -1.520 269 1HZ LYS 31 1HZ LYS 31 -4.341 -15.523 0.408 270 2HZ LYS 31 2HZ LYS 31 -2.757 -15.922 0.163 271 3HZ LYS 31 3HZ LYS 31 -3.818 -17.045 0.735 272 H GLU 32 H GLU 32 -4.309 -10.420 -3.793 273 HA GLU 32 HA GLU 32 -4.487 -10.335 -6.573 274 1HB GLU 32 1HB GLU 32 -5.712 -8.893 -4.959 275 2HB GLU 32 2HB GLU 32 -4.212 -8.004 -4.665 276 1HG GLU 32 1HG GLU 32 -5.411 -6.711 -6.183 277 2HG GLU 32 2HG GLU 32 -4.218 -7.487 -7.220 278 H LEU 33 H LEU 33 -1.872 -8.839 -4.488 279 HA LEU 33 HA LEU 33 -0.409 -7.718 -6.615 280 1HB LEU 33 1HB LEU 33 -0.060 -8.537 -3.723 281 2HB LEU 33 2HB LEU 33 1.290 -8.056 -4.661 282 HG LEU 33 HG LEU 33 0.614 -5.852 -4.951 283 1HD1 LEU 33 1HD1 LEU 33 -1.753 -6.082 -5.442 284 2HD1 LEU 33 2HD1 LEU 33 -1.455 -4.868 -4.186 285 3HD1 LEU 33 3HD1 LEU 33 -2.099 -6.452 -3.740 286 1HD2 LEU 33 1HD2 LEU 33 0.342 -5.154 -2.544 287 2HD2 LEU 33 2HD2 LEU 33 -0.040 -6.828 -2.141 288 3HD2 LEU 33 3HD2 LEU 33 1.567 -6.413 -2.780 289 H SER 34 H SER 34 0.225 -10.750 -4.616 290 HA SER 34 HA SER 34 2.417 -11.553 -6.141 291 1HB SER 34 1HB SER 34 0.454 -13.265 -4.588 292 2HB SER 34 2HB SER 34 2.042 -13.795 -5.177 293 HG SER 34 HG SER 34 3.006 -12.164 -3.871 294 H LYS 35 H LYS 35 -1.060 -12.156 -6.827 295 HA LYS 35 HA LYS 35 -0.650 -14.116 -8.844 296 1HB LYS 35 1HB LYS 35 -2.853 -13.466 -7.769 297 2HB LYS 35 2HB LYS 35 -2.808 -11.971 -8.735 298 1HG LYS 35 1HG LYS 35 -2.911 -13.273 -10.809 299 2HG LYS 35 2HG LYS 35 -2.717 -14.780 -9.912 300 1HD LYS 35 1HD LYS 35 -5.011 -14.466 -10.637 301 2HD LYS 35 2HD LYS 35 -4.928 -14.514 -8.875 302 1HE LYS 35 1HE LYS 35 -4.898 -11.850 -10.357 303 2HE LYS 35 2HE LYS 35 -6.422 -12.711 -10.098 304 1HZ LYS 35 1HZ LYS 35 -4.602 -11.979 -7.930 305 2HZ LYS 35 2HZ LYS 35 -6.100 -12.645 -7.792 306 3HZ LYS 35 3HZ LYS 35 -5.926 -11.111 -8.378 307 H THR 36 H THR 36 -0.446 -10.564 -8.898 308 HA THR 36 HA THR 36 -0.366 -10.511 -11.866 309 HB THR 36 HB THR 36 -0.620 -8.058 -11.480 310 HG1 THR 36 HG1 THR 36 -1.229 -8.757 -8.794 311 1HG2 THR 36 1HG2 THR 36 -2.704 -9.866 -10.124 312 2HG2 THR 36 2HG2 THR 36 -2.581 -9.565 -11.862 313 3HG2 THR 36 3HG2 THR 36 -2.995 -8.240 -10.752 314 H SER 37 H SER 37 1.423 -9.046 -9.149 315 HA SER 37 HA SER 37 3.983 -9.228 -10.721 316 1HB SER 37 1HB SER 37 3.069 -7.264 -8.609 317 2HB SER 37 2HB SER 37 4.710 -7.330 -9.304 318 HG SER 37 HG SER 37 3.346 -5.791 -10.404 319 H THR 38 H THR 38 4.908 -11.086 -10.001 320 HA THR 38 HA THR 38 4.192 -12.416 -7.628 321 HB THR 38 HB THR 38 6.008 -13.978 -8.387 322 HG1 THR 38 HG1 THR 38 7.359 -12.397 -9.258 323 1HG2 THR 38 1HG2 THR 38 3.722 -14.192 -9.300 324 2HG2 THR 38 2HG2 THR 38 4.951 -14.583 -10.515 325 3HG2 THR 38 3HG2 THR 38 4.104 -13.029 -10.586 326 H TRP 39 H TRP 39 4.758 -10.371 -6.192 327 HA TRP 39 HA TRP 39 7.515 -10.603 -5.119 328 1HB TRP 39 1HB TRP 39 5.151 -8.981 -4.139 329 2HB TRP 39 2HB TRP 39 6.824 -8.822 -3.628 330 HD1 TRP 39 HD1 TRP 39 8.494 -8.243 -5.991 331 HE1 TRP 39 HE1 TRP 39 8.094 -6.254 -7.605 332 HE3 TRP 39 HE3 TRP 39 3.540 -7.417 -5.060 333 HZ2 TRP 39 HZ2 TRP 39 5.905 -4.544 -8.371 334 HZ3 TRP 39 HZ3 TRP 39 2.310 -5.671 -6.338 335 HH2 TRP 39 HH2 TRP 39 3.461 -4.300 -7.978 336 H SER 40 H SER 40 7.920 -11.654 -3.124 337 HA SER 40 HA SER 40 6.130 -13.698 -2.354 338 1HB SER 40 1HB SER 40 8.471 -12.544 -0.785 339 2HB SER 40 2HB SER 40 7.841 -14.204 -0.703 340 HG SER 40 HG SER 40 8.419 -14.310 -3.005 341 HA PRO 41 HA PRO 41 3.419 -11.720 0.545 342 1HB PRO 41 1HB PRO 41 4.100 -13.811 2.602 343 2HB PRO 41 2HB PRO 41 2.528 -13.312 2.039 344 1HG PRO 41 1HG PRO 41 3.744 -15.622 1.282 345 2HG PRO 41 2HG PRO 41 2.693 -14.608 0.284 346 1HD PRO 41 1HD PRO 41 5.690 -14.868 0.168 347 2HD PRO 41 2HD PRO 41 4.524 -14.640 -1.170 348 H LYS 42 H LYS 42 6.571 -12.745 1.947 349 HA LYS 42 HA LYS 42 6.640 -10.828 4.043 350 1HB LYS 42 1HB LYS 42 9.042 -11.238 4.111 351 2HB LYS 42 2HB LYS 42 8.095 -12.729 4.056 352 1HG LYS 42 1HG LYS 42 8.630 -12.977 1.629 353 2HG LYS 42 2HG LYS 42 9.609 -11.493 1.706 354 1HD LYS 42 1HD LYS 42 11.059 -12.539 3.413 355 2HD LYS 42 2HD LYS 42 10.091 -14.026 3.330 356 1HE LYS 42 1HE LYS 42 10.670 -14.266 0.916 357 2HE LYS 42 2HE LYS 42 11.630 -12.776 0.998 358 1HZ LYS 42 1HZ LYS 42 12.144 -15.227 2.528 359 2HZ LYS 42 2HZ LYS 42 13.035 -13.842 2.603 360 3HZ LYS 42 3HZ LYS 42 12.982 -14.714 1.206 361 H THR 43 H THR 43 7.675 -10.600 0.617 362 HA THR 43 HA THR 43 8.960 -8.069 0.753 363 HB THR 43 HB THR 43 7.441 -9.345 -1.564 364 HG1 THR 43 HG1 THR 43 10.106 -9.785 -0.738 365 1HG2 THR 43 1HG2 THR 43 8.170 -7.090 -2.094 366 2HG2 THR 43 2HG2 THR 43 9.827 -7.471 -1.566 367 3HG2 THR 43 3HG2 THR 43 9.128 -8.284 -2.983 368 H ILE 44 H ILE 44 5.626 -9.078 -0.178 369 HA ILE 44 HA ILE 44 4.530 -6.525 -0.537 370 HB ILE 44 HB ILE 44 3.269 -9.135 0.410 371 1HG1 ILE 44 1HG1 ILE 44 3.657 -7.785 -2.291 372 2HG1 ILE 44 2HG1 ILE 44 4.451 -9.244 -1.756 373 1HG2 ILE 44 1HG2 ILE 44 1.789 -7.350 1.068 374 2HG2 ILE 44 2HG2 ILE 44 1.123 -8.022 -0.406 375 3HG2 ILE 44 3HG2 ILE 44 2.027 -6.494 -0.464 376 1HD1 ILE 44 1HD1 ILE 44 2.727 -9.857 -3.269 377 2HD1 ILE 44 2HD1 ILE 44 1.506 -9.031 -2.299 378 3HD1 ILE 44 3HD1 ILE 44 2.337 -10.461 -1.643 379 H GLN 45 H GLN 45 4.576 -8.510 2.480 380 HA GLN 45 HA GLN 45 3.324 -6.531 4.094 381 1HB GLN 45 1HB GLN 45 5.174 -8.823 4.751 382 2HB GLN 45 2HB GLN 45 4.394 -7.810 5.982 383 1HG GLN 45 1HG GLN 45 2.170 -8.360 5.189 384 2HG GLN 45 2HG GLN 45 2.792 -9.185 3.770 385 1HE2 GLN 45 1HE2 GLN 45 4.237 -11.040 4.128 386 2HE2 GLN 45 2HE2 GLN 45 3.856 -12.141 5.464 387 H THR 46 H THR 46 6.772 -6.940 3.238 388 HA THR 46 HA THR 46 7.709 -4.851 4.934 389 HB THR 46 HB THR 46 8.844 -5.640 2.215 390 HG1 THR 46 HG1 THR 46 8.630 -7.411 3.687 391 1HG2 THR 46 1HG2 THR 46 10.965 -4.864 3.199 392 2HG2 THR 46 2HG2 THR 46 10.108 -4.337 4.661 393 3HG2 THR 46 3HG2 THR 46 9.791 -3.539 3.104 394 H MET 47 H MET 47 6.588 -4.744 1.475 395 HA MET 47 HA MET 47 6.867 -1.950 1.129 396 1HB MET 47 1HB MET 47 4.926 -3.850 -0.180 397 2HB MET 47 2HB MET 47 5.198 -2.165 -0.649 398 1HG MET 47 1HG MET 47 7.283 -4.379 -0.662 399 2HG MET 47 2HG MET 47 6.498 -3.604 -2.034 400 1HE MET 47 1HE MET 47 10.220 -2.578 -2.460 401 2HE MET 47 2HE MET 47 9.623 -4.109 -1.777 402 3HE MET 47 3HE MET 47 8.821 -3.393 -3.198 403 H LEU 48 H LEU 48 4.008 -3.800 2.295 404 HA LEU 48 HA LEU 48 2.285 -1.594 2.739 405 1HB LEU 48 1HB LEU 48 2.601 -4.213 4.259 406 2HB LEU 48 2HB LEU 48 1.295 -3.074 4.572 407 HG LEU 48 HG LEU 48 1.752 -4.274 1.805 408 1HD1 LEU 48 1HD1 LEU 48 1.369 -6.136 3.359 409 2HD1 LEU 48 2HD1 LEU 48 -0.069 -5.863 2.394 410 3HD1 LEU 48 3HD1 LEU 48 -0.010 -5.291 4.075 411 1HD2 LEU 48 1HD2 LEU 48 -0.665 -2.993 3.158 412 2HD2 LEU 48 2HD2 LEU 48 0.308 -2.261 1.865 413 3HD2 LEU 48 3HD2 LEU 48 -0.653 -3.711 1.538 414 H LEU 49 H LEU 49 4.729 -3.077 4.940 415 HA LEU 49 HA LEU 49 4.329 -1.299 7.079 416 1HB LEU 49 1HB LEU 49 5.531 -3.396 7.216 417 2HB LEU 49 2HB LEU 49 6.889 -2.753 6.296 418 HG LEU 49 HG LEU 49 6.017 -1.239 8.756 419 1HD1 LEU 49 1HD1 LEU 49 7.373 -2.725 10.191 420 2HD1 LEU 49 2HD1 LEU 49 7.586 -3.847 8.829 421 3HD1 LEU 49 3HD1 LEU 49 5.970 -3.568 9.516 422 1HD2 LEU 49 1HD2 LEU 49 8.454 -0.891 8.984 423 2HD2 LEU 49 2HD2 LEU 49 8.758 -1.958 7.601 424 3HD2 LEU 49 3HD2 LEU 49 7.934 -0.407 7.365 425 H ARG 50 H ARG 50 6.498 -0.975 4.206 426 HA ARG 50 HA ARG 50 7.774 1.440 4.950 427 1HB ARG 50 1HB ARG 50 6.935 0.697 2.111 428 2HB ARG 50 2HB ARG 50 8.100 1.918 2.618 429 1HG ARG 50 1HG ARG 50 9.272 -0.067 3.855 430 2HG ARG 50 2HG ARG 50 8.327 -1.081 2.760 431 1HD ARG 50 1HD ARG 50 9.184 0.265 0.823 432 2HD ARG 50 2HD ARG 50 10.309 1.059 1.929 433 HE ARG 50 HE ARG 50 10.433 -1.614 0.781 434 1HH1 ARG 50 1HH1 ARG 50 11.434 0.262 3.593 435 2HH1 ARG 50 2HH1 ARG 50 12.810 -0.742 3.965 436 1HH2 ARG 50 1HH2 ARG 50 12.223 -2.941 1.238 437 2HH2 ARG 50 2HH2 ARG 50 13.256 -2.610 2.601 438 H LEU 51 H LEU 51 4.834 1.127 2.835 439 HA LEU 51 HA LEU 51 4.079 3.777 2.773 440 1HB LEU 51 1HB LEU 51 2.574 1.144 2.723 441 2HB LEU 51 2HB LEU 51 1.738 2.663 2.552 442 HG LEU 51 HG LEU 51 2.827 3.307 0.672 443 1HD1 LEU 51 1HD1 LEU 51 5.134 2.976 0.977 444 2HD1 LEU 51 2HD1 LEU 51 4.952 1.208 0.800 445 3HD1 LEU 51 3HD1 LEU 51 4.622 2.286 -0.546 446 1HD2 LEU 51 1HD2 LEU 51 2.482 1.456 -0.989 447 2HD2 LEU 51 2HD2 LEU 51 1.171 1.563 0.195 448 3HD2 LEU 51 3HD2 LEU 51 2.419 0.304 0.359 449 H ILE 52 H ILE 52 3.169 1.384 5.331 450 HA ILE 52 HA ILE 52 1.545 3.233 6.772 451 HB ILE 52 HB ILE 52 3.113 0.794 7.657 452 1HG1 ILE 52 1HG1 ILE 52 0.115 1.198 7.407 453 2HG1 ILE 52 2HG1 ILE 52 1.070 0.704 6.018 454 1HG2 ILE 52 1HG2 ILE 52 1.708 0.882 9.739 455 2HG2 ILE 52 2HG2 ILE 52 1.123 2.481 9.243 456 3HG2 ILE 52 3HG2 ILE 52 2.836 2.227 9.637 457 1HD1 ILE 52 1HD1 ILE 52 0.086 -1.247 7.100 458 2HD1 ILE 52 2HD1 ILE 52 1.856 -1.308 7.156 459 3HD1 ILE 52 3HD1 ILE 52 0.939 -0.887 8.612 460 H LYS 53 H LYS 53 5.057 2.465 7.162 461 HA LYS 53 HA LYS 53 5.572 4.321 9.216 462 1HB LYS 53 1HB LYS 53 7.058 2.478 8.420 463 2HB LYS 53 2HB LYS 53 7.482 3.461 7.006 464 1HG LYS 53 1HG LYS 53 8.289 5.265 8.590 465 2HG LYS 53 2HG LYS 53 7.974 4.175 9.938 466 1HD LYS 53 1HD LYS 53 9.937 3.766 7.627 467 2HD LYS 53 2HD LYS 53 10.353 4.174 9.293 468 1HE LYS 53 1HE LYS 53 9.154 1.548 8.302 469 2HE LYS 53 2HE LYS 53 10.793 1.817 8.900 470 1HZ LYS 53 1HZ LYS 53 9.426 0.850 10.570 471 2HZ LYS 53 2HZ LYS 53 9.863 2.370 11.036 472 3HZ LYS 53 3HZ LYS 53 8.336 2.082 10.482 473 H LYS 54 H LYS 54 5.625 4.796 5.641 474 HA LYS 54 HA LYS 54 6.495 7.522 5.721 475 1HB LYS 54 1HB LYS 54 5.143 5.717 3.674 476 2HB LYS 54 2HB LYS 54 5.649 7.361 3.329 477 1HG LYS 54 1HG LYS 54 7.979 6.851 3.766 478 2HG LYS 54 2HG LYS 54 7.569 5.222 4.324 479 1HD LYS 54 1HD LYS 54 6.685 4.655 2.077 480 2HD LYS 54 2HD LYS 54 7.099 6.280 1.494 481 1HE LYS 54 1HE LYS 54 9.495 5.848 1.966 482 2HE LYS 54 2HE LYS 54 9.091 4.244 2.606 483 1HZ LYS 54 1HZ LYS 54 8.261 3.669 0.418 484 2HZ LYS 54 2HZ LYS 54 9.846 4.112 0.374 485 3HZ LYS 54 3HZ LYS 54 8.700 5.153 -0.164 486 H GLY 55 H GLY 55 3.479 6.119 6.644 487 1HA GLY 55 1HA GLY 55 1.506 7.077 7.183 488 2HA GLY 55 2HA GLY 55 2.194 8.678 6.879 489 H ALA 56 H ALA 56 2.159 6.065 4.498 490 HA ALA 56 HA ALA 56 0.607 7.677 2.587 491 1HB ALA 56 1HB ALA 56 1.792 4.886 2.319 492 2HB ALA 56 2HB ALA 56 2.692 6.363 1.979 493 3HB ALA 56 3HB ALA 56 1.269 5.943 1.001 494 H LEU 57 H LEU 57 0.244 4.927 4.723 495 HA LEU 57 HA LEU 57 -2.619 4.618 4.073 496 1HB LEU 57 1HB LEU 57 -0.696 2.301 4.450 497 2HB LEU 57 2HB LEU 57 -2.434 2.182 4.180 498 HG LEU 57 HG LEU 57 -0.401 3.166 2.122 499 1HD1 LEU 57 1HD1 LEU 57 -0.104 0.797 2.702 500 2HD1 LEU 57 2HD1 LEU 57 -0.836 0.938 1.092 501 3HD1 LEU 57 3HD1 LEU 57 -1.842 0.509 2.490 502 1HD2 LEU 57 1HD2 LEU 57 -2.283 2.707 0.493 503 2HD2 LEU 57 2HD2 LEU 57 -3.375 2.566 1.875 504 3HD2 LEU 57 3HD2 LEU 57 -2.533 4.106 1.521 505 H ASN 58 H ASN 58 -3.729 3.547 5.822 506 HA ASN 58 HA ASN 58 -2.428 3.379 8.486 507 1HB ASN 58 1HB ASN 58 -3.581 5.498 8.585 508 2HB ASN 58 2HB ASN 58 -4.973 4.881 7.688 509 1HD2 ASN 58 1HD2 ASN 58 -6.568 3.584 8.783 510 2HD2 ASN 58 2HD2 ASN 58 -6.516 3.388 10.533 511 H HIS 59 H HIS 59 -3.766 1.701 9.805 512 HA HIS 59 HA HIS 59 -5.525 0.126 8.055 513 1HB HIS 59 1HB HIS 59 -4.417 -1.966 8.507 514 2HB HIS 59 2HB HIS 59 -3.283 -0.853 7.755 515 HD2 HIS 59 HD2 HIS 59 -1.156 -0.035 9.372 516 HE1 HIS 59 HE1 HIS 59 -2.094 -2.624 12.595 517 HE2 HIS 59 HE2 HIS 59 -0.320 -1.046 11.658 518 H HIS 60 H HIS 60 -6.690 -1.501 9.030 519 HA HIS 60 HA HIS 60 -7.296 -1.134 11.940 520 1HB HIS 60 1HB HIS 60 -9.153 -0.105 10.796 521 2HB HIS 60 2HB HIS 60 -9.208 -1.401 9.588 522 HD2 HIS 60 HD2 HIS 60 -11.314 -2.986 10.084 523 HE1 HIS 60 HE1 HIS 60 -10.928 -3.176 14.294 524 HE2 HIS 60 HE2 HIS 60 -12.238 -4.058 12.295 525 H LYS 61 H LYS 61 -7.819 -3.123 12.978 526 HA LYS 61 HA LYS 61 -6.624 -5.501 11.667 527 1HB LYS 61 1HB LYS 61 -7.497 -4.978 14.526 528 2HB LYS 61 2HB LYS 61 -6.848 -6.507 13.900 529 1HG LYS 61 1HG LYS 61 -4.755 -5.341 13.208 530 2HG LYS 61 2HG LYS 61 -5.401 -3.818 13.814 531 1HD LYS 61 1HD LYS 61 -3.837 -4.800 15.422 532 2HD LYS 61 2HD LYS 61 -5.459 -4.657 16.103 533 1HE LYS 61 1HE LYS 61 -4.323 -6.796 16.695 534 2HE LYS 61 2HE LYS 61 -5.852 -7.054 15.856 535 1HZ LYS 61 1HZ LYS 61 -4.118 -8.463 15.029 536 2HZ LYS 61 2HZ LYS 61 -4.618 -7.434 13.846 537 3HZ LYS 61 3HZ LYS 61 -3.186 -7.166 14.619 538 H GLU 62 H GLU 62 -8.010 -6.566 10.361 539 HA GLU 62 HA GLU 62 -10.901 -6.796 11.046 540 1HB GLU 62 1HB GLU 62 -10.297 -6.095 8.797 541 2HB GLU 62 2HB GLU 62 -9.305 -7.547 8.569 542 1HG GLU 62 1HG GLU 62 -11.334 -8.961 8.727 543 2HG GLU 62 2HG GLU 62 -12.315 -7.529 9.081 544 H GLY 63 H GLY 63 -10.151 -7.906 12.951 545 1HA GLY 63 1HA GLY 63 -10.057 -9.782 14.238 546 2HA GLY 63 2HA GLY 63 -10.569 -10.719 12.831 547 H ARG 64 H ARG 64 -8.838 -11.219 11.246 548 HA ARG 64 HA ARG 64 -6.349 -12.134 12.666 549 1HB ARG 64 1HB ARG 64 -7.743 -13.341 10.256 550 2HB ARG 64 2HB ARG 64 -6.254 -13.907 11.035 551 1HG ARG 64 1HG ARG 64 -7.592 -14.108 13.209 552 2HG ARG 64 2HG ARG 64 -9.057 -13.827 12.243 553 1HD ARG 64 1HD ARG 64 -8.460 -15.788 10.822 554 2HD ARG 64 2HD ARG 64 -7.009 -16.034 11.833 555 HE ARG 64 HE ARG 64 -9.277 -15.968 13.529 556 1HH1 ARG 64 1HH1 ARG 64 -7.876 -18.022 11.028 557 2HH1 ARG 64 2HH1 ARG 64 -8.554 -19.502 11.651 558 1HH2 ARG 64 1HH2 ARG 64 -10.177 -17.888 14.365 559 2HH2 ARG 64 2HH2 ARG 64 -9.889 -19.421 13.589 560 H VAL 65 H VAL 65 -7.632 -10.493 9.782 561 HA VAL 65 HA VAL 65 -4.841 -10.012 8.791 562 HB VAL 65 HB VAL 65 -5.896 -9.576 6.595 563 1HG1 VAL 65 1HG1 VAL 65 -6.446 -12.369 7.679 564 2HG1 VAL 65 2HG1 VAL 65 -6.223 -11.914 5.979 565 3HG1 VAL 65 3HG1 VAL 65 -4.873 -11.765 7.117 566 1HG2 VAL 65 1HG2 VAL 65 -8.204 -9.065 7.265 567 2HG2 VAL 65 2HG2 VAL 65 -8.441 -10.733 7.832 568 3HG2 VAL 65 3HG2 VAL 65 -8.159 -10.411 6.119 569 H PHE 66 H PHE 66 -4.846 -7.736 7.582 570 HA PHE 66 HA PHE 66 -6.478 -5.865 9.195 571 1HB PHE 66 1HB PHE 66 -4.615 -4.325 9.351 572 2HB PHE 66 2HB PHE 66 -4.478 -5.772 10.318 573 HD1 PHE 66 HD1 PHE 66 -2.528 -3.565 8.658 574 HD2 PHE 66 HD2 PHE 66 -3.076 -7.810 9.128 575 HE1 PHE 66 HE1 PHE 66 -0.091 -3.916 8.426 576 HE2 PHE 66 HE2 PHE 66 -0.690 -8.169 8.650 577 HZ PHE 66 HZ PHE 66 0.826 -6.227 8.326 578 H VAL 67 H VAL 67 -7.346 -4.217 8.238 579 HA VAL 67 HA VAL 67 -7.493 -4.224 5.280 580 HB VAL 67 HB VAL 67 -9.238 -3.116 7.493 581 1HG1 VAL 67 1HG1 VAL 67 -9.469 -2.649 4.484 582 2HG1 VAL 67 2HG1 VAL 67 -9.267 -1.405 5.740 583 3HG1 VAL 67 3HG1 VAL 67 -10.764 -2.337 5.659 584 1HG2 VAL 67 1HG2 VAL 67 -10.888 -4.640 6.626 585 2HG2 VAL 67 2HG2 VAL 67 -9.384 -5.578 6.767 586 3HG2 VAL 67 3HG2 VAL 67 -9.914 -4.982 5.185 587 H TYR 68 H TYR 68 -6.586 -2.584 4.116 588 HA TYR 68 HA TYR 68 -5.154 -0.474 5.652 589 1HB TYR 68 1HB TYR 68 -4.996 -1.140 2.702 590 2HB TYR 68 2HB TYR 68 -3.932 -0.080 3.625 591 HD1 TYR 68 HD1 TYR 68 -4.596 -3.476 2.579 592 HD2 TYR 68 HD2 TYR 68 -2.493 -1.108 5.494 593 HE1 TYR 68 HE1 TYR 68 -3.581 -5.520 3.503 594 HE2 TYR 68 HE2 TYR 68 -1.430 -3.155 6.383 595 HH TYR 68 HH TYR 68 -1.686 -5.502 6.525 596 H THR 69 H THR 69 -6.103 1.432 5.888 597 HA THR 69 HA THR 69 -8.166 2.457 4.019 598 HB THR 69 HB THR 69 -8.329 4.208 5.855 599 HG1 THR 69 HG1 THR 69 -6.123 3.395 6.605 600 1HG2 THR 69 1HG2 THR 69 -9.539 2.748 7.432 601 2HG2 THR 69 2HG2 THR 69 -8.766 1.311 6.737 602 3HG2 THR 69 3HG2 THR 69 -9.898 2.272 5.759 603 HA PRO 70 HA PRO 70 -4.364 4.424 2.580 604 1HB PRO 70 1HB PRO 70 -5.243 5.735 0.337 605 2HB PRO 70 2HB PRO 70 -4.969 3.971 0.398 606 1HG PRO 70 1HG PRO 70 -7.537 5.466 0.808 607 2HG PRO 70 2HG PRO 70 -7.295 4.041 -0.254 608 1HD PRO 70 1HD PRO 70 -8.357 3.819 2.233 609 2HD PRO 70 2HD PRO 70 -7.212 2.580 1.632 610 H ASN 71 H ASN 71 -3.344 6.342 3.005 611 HA ASN 71 HA ASN 71 -4.887 8.311 4.574 612 1HB ASN 71 1HB ASN 71 -1.923 8.086 3.893 613 2HB ASN 71 2HB ASN 71 -2.592 9.232 5.017 614 1HD2 ASN 71 1HD2 ASN 71 -0.794 7.929 6.185 615 2HD2 ASN 71 2HD2 ASN 71 -1.345 6.543 7.148 616 H ILE 72 H ILE 72 -3.188 7.981 1.541 617 HA ILE 72 HA ILE 72 -3.839 10.774 0.710 618 HB ILE 72 HB ILE 72 -1.999 10.263 -0.999 619 1HG1 ILE 72 1HG1 ILE 72 -0.925 8.360 1.108 620 2HG1 ILE 72 2HG1 ILE 72 -1.938 7.711 -0.167 621 1HG2 ILE 72 1HG2 ILE 72 -1.185 10.509 1.943 622 2HG2 ILE 72 2HG2 ILE 72 -1.689 11.850 0.890 623 3HG2 ILE 72 3HG2 ILE 72 -0.190 10.977 0.558 624 1HD1 ILE 72 1HD1 ILE 72 0.598 9.313 -0.648 625 2HD1 ILE 72 2HD1 ILE 72 0.460 7.545 -0.700 626 3HD1 ILE 72 3HD1 ILE 72 -0.416 8.547 -1.877 627 H ASP 73 H ASP 73 -4.971 10.952 -1.203 628 HA ASP 73 HA ASP 73 -5.548 8.599 -2.873 629 1HB ASP 73 1HB ASP 73 -7.117 8.396 -0.975 630 2HB ASP 73 2HB ASP 73 -7.752 10.008 -1.287 631 H GLU 74 H GLU 74 -6.939 11.792 -2.147 632 HA GLU 74 HA GLU 74 -7.828 12.670 -4.516 633 1HB GLU 74 1HB GLU 74 -6.525 14.959 -3.589 634 2HB GLU 74 2HB GLU 74 -8.167 14.435 -3.237 635 1HG GLU 74 1HG GLU 74 -6.949 15.086 -1.235 636 2HG GLU 74 2HG GLU 74 -7.460 13.410 -1.132 637 H SER 75 H SER 75 -4.523 13.591 -3.561 638 HA SER 75 HA SER 75 -3.734 14.206 -6.272 639 1HB SER 75 1HB SER 75 -1.976 13.971 -3.803 640 2HB SER 75 2HB SER 75 -1.693 14.923 -5.267 641 HG SER 75 HG SER 75 -3.616 15.353 -3.221 642 H ASP 76 H ASP 76 -4.242 11.179 -5.231 643 HA ASP 76 HA ASP 76 -3.308 9.150 -5.391 644 1HB ASP 76 1HB ASP 76 -3.883 9.714 -7.708 645 2HB ASP 76 2HB ASP 76 -2.259 10.326 -8.007 646 H TYR 77 H TYR 77 -0.448 10.011 -7.177 647 HA TYR 77 HA TYR 77 1.207 10.251 -4.741 648 1HB TYR 77 1HB TYR 77 1.328 7.905 -5.075 649 2HB TYR 77 2HB TYR 77 1.369 8.082 -6.831 650 HD1 TYR 77 HD1 TYR 77 3.441 9.778 -4.150 651 HD2 TYR 77 HD2 TYR 77 3.385 7.219 -7.623 652 HE1 TYR 77 HE1 TYR 77 5.883 10.005 -4.377 653 HE2 TYR 77 HE2 TYR 77 5.849 7.241 -7.681 654 HH TYR 77 HH TYR 77 7.742 7.764 -6.204 655 H ILE 78 H ILE 78 1.846 12.315 -5.177 656 HA ILE 78 HA ILE 78 2.962 13.001 -7.842 657 HB ILE 78 HB ILE 78 2.605 14.631 -5.292 658 1HG1 ILE 78 1HG1 ILE 78 1.101 14.604 -7.955 659 2HG1 ILE 78 2HG1 ILE 78 0.481 14.072 -6.386 660 1HG2 ILE 78 1HG2 ILE 78 3.504 15.537 -8.065 661 2HG2 ILE 78 2HG2 ILE 78 4.576 15.376 -6.658 662 3HG2 ILE 78 3HG2 ILE 78 3.292 16.567 -6.632 663 1HD1 ILE 78 1HD1 ILE 78 -0.418 16.245 -6.837 664 2HD1 ILE 78 2HD1 ILE 78 1.171 16.925 -7.182 665 3HD1 ILE 78 3HD1 ILE 78 0.766 16.415 -5.522 666 H GLU 79 H GLU 79 5.125 12.571 -8.206 667 HA GLU 79 HA GLU 79 6.792 11.596 -6.024 668 1HB GLU 79 1HB GLU 79 6.960 10.722 -8.315 669 2HB GLU 79 2HB GLU 79 7.516 12.308 -8.894 670 1HG GLU 79 1HG GLU 79 9.518 12.154 -7.466 671 2HG GLU 79 2HG GLU 79 8.933 10.644 -6.756 672 H VAL 80 H VAL 80 7.033 13.187 -4.508 673 HA VAL 80 HA VAL 80 7.738 15.903 -5.165 674 HB VAL 80 HB VAL 80 6.480 15.246 -3.155 675 1HG1 VAL 80 1HG1 VAL 80 7.560 14.312 -1.191 676 2HG1 VAL 80 2HG1 VAL 80 7.771 13.176 -2.531 677 3HG1 VAL 80 3HG1 VAL 80 9.115 14.220 -2.026 678 1HG2 VAL 80 1HG2 VAL 80 7.660 17.420 -3.257 679 2HG2 VAL 80 2HG2 VAL 80 9.074 16.685 -2.469 680 3HG2 VAL 80 3HG2 VAL 80 7.531 16.790 -1.605 681 H LYS 81 H LYS 81 9.785 16.939 -4.854 682 HA LYS 81 HA LYS 81 12.147 15.117 -5.155 683 1HB LYS 81 1HB LYS 81 11.743 18.004 -6.002 684 2HB LYS 81 2HB LYS 81 13.197 17.018 -6.261 685 1HG LYS 81 1HG LYS 81 11.769 15.370 -7.546 686 2HG LYS 81 2HG LYS 81 10.426 16.512 -7.457 687 1HD LYS 81 1HD LYS 81 13.148 17.030 -8.751 688 2HD LYS 81 2HD LYS 81 11.642 16.646 -9.601 689 1HE LYS 81 1HE LYS 81 10.609 18.736 -8.653 690 2HE LYS 81 2HE LYS 81 12.179 19.152 -7.935 691 1HZ LYS 81 1HZ LYS 81 11.856 20.231 -10.013 692 2HZ LYS 81 2HZ LYS 81 13.113 19.172 -10.122 693 3HZ LYS 81 3HZ LYS 81 11.656 18.795 -10.796 694 H SER 82 H SER 82 11.465 15.090 -2.585 695 HA SER 82 HA SER 82 13.552 16.472 -1.233 696 1HB SER 82 1HB SER 82 10.661 17.152 -0.503 697 2HB SER 82 2HB SER 82 12.117 17.628 0.384 698 HG SER 82 HG SER 82 12.448 18.443 -2.109 Start of MODEL 8 1 1H MET 1 1H MET 1 3.319 9.734 4.805 2 2H MET 1 2H MET 1 4.838 9.748 4.180 3 3H MET 1 3H MET 1 4.632 9.576 5.815 4 HA MET 1 HA MET 1 3.700 11.795 5.897 5 1HB MET 1 1HB MET 1 6.095 11.489 6.321 6 2HB MET 1 2HB MET 1 6.451 11.545 4.587 7 1HG MET 1 1HG MET 1 6.988 13.644 5.803 8 2HG MET 1 2HG MET 1 5.878 13.867 4.459 9 1HE MET 1 1HE MET 1 6.336 16.156 6.439 10 2HE MET 1 2HE MET 1 5.090 16.243 5.167 11 3HE MET 1 3HE MET 1 4.682 16.668 6.845 12 H LYS 2 H LYS 2 3.020 13.692 4.694 13 HA LYS 2 HA LYS 2 1.965 13.121 2.117 14 1HB LYS 2 1HB LYS 2 0.889 14.704 3.588 15 2HB LYS 2 2HB LYS 2 2.327 15.731 3.640 16 1HG LYS 2 1HG LYS 2 0.556 16.657 2.200 17 2HG LYS 2 2HG LYS 2 2.051 16.361 1.308 18 1HD LYS 2 1HD LYS 2 1.096 14.263 0.381 19 2HD LYS 2 2HD LYS 2 -0.404 14.531 1.293 20 1HE LYS 2 1HE LYS 2 -0.817 16.600 0.010 21 2HE LYS 2 2HE LYS 2 0.768 16.450 -0.778 22 1HZ LYS 2 1HZ LYS 2 -1.477 14.584 -1.094 23 2HZ LYS 2 2HZ LYS 2 0.029 14.392 -1.737 24 3HZ LYS 2 3HZ LYS 2 -0.914 15.662 -2.205 25 H LYS 3 H LYS 3 4.701 15.174 3.172 26 HA LYS 3 HA LYS 3 5.604 15.707 0.457 27 1HB LYS 3 1HB LYS 3 6.936 16.112 3.169 28 2HB LYS 3 2HB LYS 3 7.578 16.670 1.613 29 1HG LYS 3 1HG LYS 3 5.629 18.120 1.264 30 2HG LYS 3 2HG LYS 3 4.857 17.505 2.722 31 1HD LYS 3 1HD LYS 3 5.844 19.688 3.161 32 2HD LYS 3 2HD LYS 3 6.602 18.437 4.149 33 1HE LYS 3 1HE LYS 3 8.246 20.053 3.261 34 2HE LYS 3 2HE LYS 3 8.585 18.417 2.696 35 1HZ LYS 3 1HZ LYS 3 7.534 18.986 0.624 36 2HZ LYS 3 2HZ LYS 3 7.192 20.506 1.163 37 3HZ LYS 3 3HZ LYS 3 8.758 20.037 0.953 38 H ILE 4 H ILE 4 7.376 14.823 -0.558 39 HA ILE 4 HA ILE 4 8.431 12.967 -1.397 40 HB ILE 4 HB ILE 4 10.591 12.676 -0.205 41 1HG1 ILE 4 1HG1 ILE 4 9.569 14.793 1.750 42 2HG1 ILE 4 2HG1 ILE 4 9.644 13.075 2.153 43 1HG2 ILE 4 1HG2 ILE 4 11.352 14.929 -0.716 44 2HG2 ILE 4 2HG2 ILE 4 10.137 14.444 -1.895 45 3HG2 ILE 4 3HG2 ILE 4 9.701 15.564 -0.589 46 1HD1 ILE 4 1HD1 ILE 4 12.013 14.841 1.436 47 2HD1 ILE 4 2HD1 ILE 4 11.606 14.151 3.014 48 3HD1 ILE 4 3HD1 ILE 4 12.091 13.079 1.686 49 HA PRO 5 HA PRO 5 6.768 9.631 1.316 50 1HB PRO 5 1HB PRO 5 4.867 8.519 -0.333 51 2HB PRO 5 2HB PRO 5 4.574 9.920 0.744 52 1HG PRO 5 1HG PRO 5 5.153 9.994 -2.200 53 2HG PRO 5 2HG PRO 5 3.934 10.913 -1.285 54 1HD PRO 5 1HD PRO 5 6.364 11.976 -1.984 55 2HD PRO 5 2HD PRO 5 5.480 12.426 -0.498 56 H GLN 6 H GLN 6 7.206 7.416 1.126 57 HA GLN 6 HA GLN 6 9.397 6.750 -0.517 58 1HB GLN 6 1HB GLN 6 8.915 5.859 1.751 59 2HB GLN 6 2HB GLN 6 7.596 4.932 1.113 60 1HG GLN 6 1HG GLN 6 9.447 3.435 1.278 61 2HG GLN 6 2HG GLN 6 9.172 3.720 -0.418 62 1HE2 GLN 6 1HE2 GLN 6 10.925 6.082 1.686 63 2HE2 GLN 6 2HE2 GLN 6 12.425 5.870 0.800 64 H ILE 7 H ILE 7 8.285 7.186 -2.739 65 HA ILE 7 HA ILE 7 6.620 4.832 -3.597 66 HB ILE 7 HB ILE 7 6.831 7.502 -4.988 67 1HG1 ILE 7 1HG1 ILE 7 5.767 7.821 -2.784 68 2HG1 ILE 7 2HG1 ILE 7 4.655 8.069 -4.120 69 1HG2 ILE 7 1HG2 ILE 7 4.667 6.602 -6.063 70 2HG2 ILE 7 2HG2 ILE 7 6.147 5.787 -6.552 71 3HG2 ILE 7 3HG2 ILE 7 5.077 5.036 -5.355 72 1HD1 ILE 7 1HD1 ILE 7 3.619 5.871 -3.728 73 2HD1 ILE 7 2HD1 ILE 7 4.766 5.550 -2.405 74 3HD1 ILE 7 3HD1 ILE 7 3.594 6.867 -2.268 75 H SER 8 H SER 8 7.003 3.802 -5.492 76 HA SER 8 HA SER 8 9.171 4.224 -7.258 77 1HB SER 8 1HB SER 8 10.299 2.019 -6.820 78 2HB SER 8 2HB SER 8 10.542 3.193 -5.518 79 HG SER 8 HG SER 8 8.855 2.167 -4.374 80 H ASP 9 H ASP 9 8.940 2.214 -8.898 81 HA ASP 9 HA ASP 9 6.383 2.226 -9.872 82 1HB ASP 9 1HB ASP 9 8.228 1.460 -11.198 83 2HB ASP 9 2HB ASP 9 8.464 0.031 -10.176 84 H ALA 10 H ALA 10 7.650 -0.690 -8.161 85 HA ALA 10 HA ALA 10 5.189 -2.016 -8.053 86 1HB ALA 10 1HB ALA 10 7.497 -2.221 -6.078 87 2HB ALA 10 2HB ALA 10 6.194 -3.408 -6.325 88 3HB ALA 10 3HB ALA 10 7.360 -3.096 -7.624 89 H GLU 11 H GLU 11 6.651 0.171 -5.615 90 HA GLU 11 HA GLU 11 4.603 -0.078 -3.652 91 1HB GLU 11 1HB GLU 11 6.477 2.213 -4.315 92 2HB GLU 11 2HB GLU 11 5.407 2.189 -2.913 93 1HG GLU 11 1HG GLU 11 6.475 0.111 -2.093 94 2HG GLU 11 2HG GLU 11 7.589 0.137 -3.466 95 H LEU 12 H LEU 12 4.847 1.959 -6.603 96 HA LEU 12 HA LEU 12 2.500 3.454 -5.906 97 1HB LEU 12 1HB LEU 12 4.256 4.374 -7.291 98 2HB LEU 12 2HB LEU 12 4.012 3.221 -8.545 99 HG LEU 12 HG LEU 12 3.120 5.534 -8.886 100 1HD1 LEU 12 1HD1 LEU 12 0.899 3.484 -9.140 101 2HD1 LEU 12 2HD1 LEU 12 1.148 4.969 -10.057 102 3HD1 LEU 12 3HD1 LEU 12 2.297 3.628 -10.227 103 1HD2 LEU 12 1HD2 LEU 12 0.891 4.774 -6.949 104 2HD2 LEU 12 2HD2 LEU 12 2.227 5.869 -6.557 105 3HD2 LEU 12 3HD2 LEU 12 1.069 6.284 -7.842 106 H GLU 13 H GLU 13 3.094 0.553 -8.029 107 HA GLU 13 HA GLU 13 0.441 0.205 -8.964 108 1HB GLU 13 1HB GLU 13 2.432 -1.890 -7.933 109 2HB GLU 13 2HB GLU 13 0.980 -2.272 -8.826 110 1HG GLU 13 1HG GLU 13 3.251 -0.527 -9.919 111 2HG GLU 13 2HG GLU 13 2.995 -2.222 -10.294 112 H VAL 14 H VAL 14 1.970 -0.879 -5.968 113 HA VAL 14 HA VAL 14 -0.266 -2.010 -4.643 114 HB VAL 14 HB VAL 14 2.379 -0.767 -3.903 115 1HG1 VAL 14 1HG1 VAL 14 2.079 -1.348 -1.539 116 2HG1 VAL 14 2HG1 VAL 14 1.112 0.032 -2.045 117 3HG1 VAL 14 3HG1 VAL 14 0.330 -1.552 -1.836 118 1HG2 VAL 14 1HG2 VAL 14 2.195 -2.963 -4.927 119 2HG2 VAL 14 2HG2 VAL 14 1.326 -3.493 -3.454 120 3HG2 VAL 14 3HG2 VAL 14 3.010 -2.938 -3.345 121 H MET 15 H MET 15 0.988 1.364 -4.319 122 HA MET 15 HA MET 15 -1.052 2.333 -2.704 123 1HB MET 15 1HB MET 15 0.568 3.675 -4.893 124 2HB MET 15 2HB MET 15 -0.462 4.560 -3.792 125 1HG MET 15 1HG MET 15 1.312 2.680 -2.383 126 2HG MET 15 2HG MET 15 2.188 3.826 -3.329 127 1HE MET 15 1HE MET 15 -0.947 5.206 -0.197 128 2HE MET 15 2HE MET 15 -0.683 3.488 -0.586 129 3HE MET 15 3HE MET 15 -1.372 4.593 -1.791 130 H LYS 16 H LYS 16 -1.001 2.284 -6.272 131 HA LYS 16 HA LYS 16 -3.495 3.489 -6.788 132 1HB LYS 16 1HB LYS 16 -1.846 3.049 -8.517 133 2HB LYS 16 2HB LYS 16 -1.947 1.312 -8.231 134 1HG LYS 16 1HG LYS 16 -4.343 1.352 -8.974 135 2HG LYS 16 2HG LYS 16 -4.135 3.064 -9.406 136 1HD LYS 16 1HD LYS 16 -2.292 2.451 -10.942 137 2HD LYS 16 2HD LYS 16 -2.420 0.749 -10.466 138 1HE LYS 16 1HE LYS 16 -4.604 2.373 -11.850 139 2HE LYS 16 2HE LYS 16 -3.531 1.200 -12.621 140 1HZ LYS 16 1HZ LYS 16 -4.446 -0.498 -11.202 141 2HZ LYS 16 2HZ LYS 16 -5.514 0.591 -10.558 142 3HZ LYS 16 3HZ LYS 16 -5.581 0.225 -12.161 143 H VAL 17 H VAL 17 -2.715 0.011 -6.259 144 HA VAL 17 HA VAL 17 -5.425 -0.880 -6.400 145 HB VAL 17 HB VAL 17 -2.881 -2.013 -5.195 146 1HG1 VAL 17 1HG1 VAL 17 -5.632 -3.284 -5.180 147 2HG1 VAL 17 2HG1 VAL 17 -4.102 -4.162 -4.954 148 3HG1 VAL 17 3HG1 VAL 17 -4.592 -2.943 -3.772 149 1HG2 VAL 17 1HG2 VAL 17 -3.141 -1.915 -7.680 150 2HG2 VAL 17 2HG2 VAL 17 -3.099 -3.576 -7.073 151 3HG2 VAL 17 3HG2 VAL 17 -4.644 -2.846 -7.539 152 H ILE 18 H ILE 18 -3.435 0.026 -3.542 153 HA ILE 18 HA ILE 18 -5.369 -0.469 -1.562 154 HB ILE 18 HB ILE 18 -3.132 1.600 -1.650 155 1HG1 ILE 18 1HG1 ILE 18 -3.370 -1.241 -0.587 156 2HG1 ILE 18 2HG1 ILE 18 -2.263 -0.645 -1.780 157 1HG2 ILE 18 1HG2 ILE 18 -4.846 0.729 0.706 158 2HG2 ILE 18 2HG2 ILE 18 -4.811 2.337 -0.033 159 3HG2 ILE 18 3HG2 ILE 18 -3.393 1.752 0.809 160 1HD1 ILE 18 1HD1 ILE 18 -1.005 -0.965 0.196 161 2HD1 ILE 18 2HD1 ILE 18 -1.160 0.789 -0.032 162 3HD1 ILE 18 3HD1 ILE 18 -2.151 -0.061 1.186 163 H TRP 19 H TRP 19 -4.780 2.578 -3.375 164 HA TRP 19 HA TRP 19 -6.782 4.089 -2.109 165 1HB TRP 19 1HB TRP 19 -5.466 4.295 -4.837 166 2HB TRP 19 2HB TRP 19 -6.635 5.470 -4.260 167 HD1 TRP 19 HD1 TRP 19 -5.717 5.939 -1.327 168 HE1 TRP 19 HE1 TRP 19 -3.543 7.274 -0.837 169 HE3 TRP 19 HE3 TRP 19 -3.336 5.452 -5.844 170 HZ2 TRP 19 HZ2 TRP 19 -1.142 7.918 -2.137 171 HZ3 TRP 19 HZ3 TRP 19 -1.053 6.369 -6.143 172 HH2 TRP 19 HH2 TRP 19 0.098 7.504 -4.228 173 H LYS 20 H LYS 20 -7.393 1.412 -4.239 174 HA LYS 20 HA LYS 20 -9.959 2.479 -5.175 175 1HB LYS 20 1HB LYS 20 -9.043 -0.412 -4.966 176 2HB LYS 20 2HB LYS 20 -10.409 0.213 -5.894 177 1HG LYS 20 1HG LYS 20 -7.461 0.734 -6.407 178 2HG LYS 20 2HG LYS 20 -8.553 -0.268 -7.366 179 1HD LYS 20 1HD LYS 20 -9.930 1.842 -7.827 180 2HD LYS 20 2HD LYS 20 -8.651 2.766 -7.016 181 1HE LYS 20 1HE LYS 20 -8.292 2.898 -9.390 182 2HE LYS 20 2HE LYS 20 -6.990 1.933 -8.679 183 1HZ LYS 20 1HZ LYS 20 -9.395 0.829 -9.967 184 2HZ LYS 20 2HZ LYS 20 -7.965 1.054 -10.736 185 3HZ LYS 20 3HZ LYS 20 -8.066 -0.019 -9.480 186 H HIS 21 H HIS 21 -8.744 1.048 -2.230 187 HA HIS 21 HA HIS 21 -11.485 0.432 -1.243 188 1HB HIS 21 1HB HIS 21 -9.459 -1.232 -1.208 189 2HB HIS 21 2HB HIS 21 -8.847 -0.241 0.084 190 HD2 HIS 21 HD2 HIS 21 -9.757 -3.364 0.527 191 HE1 HIS 21 HE1 HIS 21 -13.102 -1.740 2.540 192 HE2 HIS 21 HE2 HIS 21 -11.698 -3.865 2.194 193 H SER 22 H SER 22 -11.852 1.140 1.111 194 HA SER 22 HA SER 22 -11.420 3.996 1.318 195 1HB SER 22 1HB SER 22 -12.292 2.113 3.559 196 2HB SER 22 2HB SER 22 -12.651 3.839 3.371 197 HG SER 22 HG SER 22 -13.735 3.166 1.357 198 H SER 23 H SER 23 -10.190 1.212 3.143 199 HA SER 23 HA SER 23 -7.544 2.329 3.069 200 1HB SER 23 1HB SER 23 -8.803 1.541 5.746 201 2HB SER 23 2HB SER 23 -7.059 1.721 5.483 202 HG SER 23 HG SER 23 -8.581 3.829 4.551 203 H ILE 24 H ILE 24 -6.435 -0.168 4.367 204 HA ILE 24 HA ILE 24 -8.189 -2.279 3.315 205 HB ILE 24 HB ILE 24 -7.014 -1.426 1.318 206 1HG1 ILE 24 1HG1 ILE 24 -5.937 -4.186 1.834 207 2HG1 ILE 24 2HG1 ILE 24 -7.682 -3.888 1.740 208 1HG2 ILE 24 1HG2 ILE 24 -4.463 -2.481 2.617 209 2HG2 ILE 24 2HG2 ILE 24 -4.889 -0.759 2.538 210 3HG2 ILE 24 3HG2 ILE 24 -4.649 -1.675 1.052 211 1HD1 ILE 24 1HD1 ILE 24 -5.745 -3.087 -0.465 212 2HD1 ILE 24 2HD1 ILE 24 -6.739 -4.554 -0.450 213 3HD1 ILE 24 3HD1 ILE 24 -7.508 -2.957 -0.483 214 H ASN 25 H ASN 25 -7.902 -4.302 4.296 215 HA ASN 25 HA ASN 25 -5.971 -4.259 6.547 216 1HB ASN 25 1HB ASN 25 -6.747 -6.289 7.289 217 2HB ASN 25 2HB ASN 25 -8.113 -5.226 7.225 218 1HD2 ASN 25 1HD2 ASN 25 -9.943 -6.225 6.360 219 2HD2 ASN 25 2HD2 ASN 25 -9.899 -7.680 5.388 220 H THR 26 H THR 26 -4.411 -5.894 6.801 221 HA THR 26 HA THR 26 -2.851 -6.168 4.533 222 HB THR 26 HB THR 26 -2.666 -7.965 6.986 223 HG1 THR 26 HG1 THR 26 -2.713 -5.743 7.557 224 1HG2 THR 26 1HG2 THR 26 -0.680 -7.019 4.856 225 2HG2 THR 26 2HG2 THR 26 -1.167 -8.690 5.190 226 3HG2 THR 26 3HG2 THR 26 -0.204 -7.804 6.383 227 H ASN 27 H ASN 27 -5.211 -8.639 5.675 228 HA ASN 27 HA ASN 27 -4.289 -10.692 3.891 229 1HB ASN 27 1HB ASN 27 -5.801 -11.243 5.699 230 2HB ASN 27 2HB ASN 27 -7.061 -10.180 5.062 231 1HD2 ASN 27 1HD2 ASN 27 -8.199 -10.792 3.081 232 2HD2 ASN 27 2HD2 ASN 27 -8.132 -12.460 2.540 233 H GLU 28 H GLU 28 -6.854 -8.190 3.529 234 HA GLU 28 HA GLU 28 -7.611 -8.732 0.868 235 1HB GLU 28 1HB GLU 28 -7.366 -6.112 2.390 236 2HB GLU 28 2HB GLU 28 -8.130 -6.263 0.808 237 1HG GLU 28 1HG GLU 28 -9.865 -7.690 1.691 238 2HG GLU 28 2HG GLU 28 -9.101 -7.746 3.275 239 H VAL 29 H VAL 29 -4.991 -6.573 2.146 240 HA VAL 29 HA VAL 29 -4.212 -5.718 -0.424 241 HB VAL 29 HB VAL 29 -3.444 -5.097 2.200 242 1HG1 VAL 29 1HG1 VAL 29 -0.921 -6.012 0.746 243 2HG1 VAL 29 2HG1 VAL 29 -1.553 -6.682 2.272 244 3HG1 VAL 29 3HG1 VAL 29 -1.020 -5.008 2.198 245 1HG2 VAL 29 1HG2 VAL 29 -2.211 -3.270 1.143 246 2HG2 VAL 29 2HG2 VAL 29 -3.689 -3.587 0.226 247 3HG2 VAL 29 3HG2 VAL 29 -2.134 -4.163 -0.391 248 H ILE 30 H ILE 30 -2.735 -8.391 1.525 249 HA ILE 30 HA ILE 30 -0.833 -9.073 -0.470 250 HB ILE 30 HB ILE 30 -2.120 -10.889 1.618 251 1HG1 ILE 30 1HG1 ILE 30 0.194 -8.948 1.629 252 2HG1 ILE 30 2HG1 ILE 30 -1.038 -9.226 2.843 253 1HG2 ILE 30 1HG2 ILE 30 -1.077 -12.178 -0.254 254 2HG2 ILE 30 2HG2 ILE 30 0.427 -11.265 -0.032 255 3HG2 ILE 30 3HG2 ILE 30 -0.173 -12.364 1.229 256 1HD1 ILE 30 1HD1 ILE 30 1.403 -10.923 2.276 257 2HD1 ILE 30 2HD1 ILE 30 1.047 -9.992 3.726 258 3HD1 ILE 30 3HD1 ILE 30 0.092 -11.444 3.370 259 H LYS 31 H LYS 31 -4.169 -10.324 0.069 260 HA LYS 31 HA LYS 31 -4.130 -12.159 -2.053 261 1HB LYS 31 1HB LYS 31 -5.810 -12.039 -0.230 262 2HB LYS 31 2HB LYS 31 -6.476 -10.564 -0.935 263 1HG LYS 31 1HG LYS 31 -7.836 -12.512 -1.461 264 2HG LYS 31 2HG LYS 31 -7.175 -11.814 -2.942 265 1HD LYS 31 1HD LYS 31 -5.490 -13.583 -3.095 266 2HD LYS 31 2HD LYS 31 -5.919 -14.185 -1.478 267 1HE LYS 31 1HE LYS 31 -8.179 -14.797 -2.306 268 2HE LYS 31 2HE LYS 31 -7.761 -14.183 -3.917 269 1HZ LYS 31 1HZ LYS 31 -6.037 -15.828 -4.028 270 2HZ LYS 31 2HZ LYS 31 -6.426 -16.397 -2.530 271 3HZ LYS 31 3HZ LYS 31 -7.502 -16.536 -3.769 272 H GLU 32 H GLU 32 -5.330 -8.768 -2.057 273 HA GLU 32 HA GLU 32 -6.128 -8.696 -4.735 274 1HB GLU 32 1HB GLU 32 -6.616 -6.997 -2.836 275 2HB GLU 32 2HB GLU 32 -5.063 -6.279 -3.219 276 1HG GLU 32 1HG GLU 32 -6.987 -5.149 -4.300 277 2HG GLU 32 2HG GLU 32 -5.873 -5.878 -5.463 278 H LEU 33 H LEU 33 -2.945 -7.732 -3.301 279 HA LEU 33 HA LEU 33 -1.913 -7.031 -5.901 280 1HB LEU 33 1HB LEU 33 -0.609 -7.574 -3.232 281 2HB LEU 33 2HB LEU 33 0.343 -7.551 -4.726 282 HG LEU 33 HG LEU 33 0.562 -5.414 -3.811 283 1HD1 LEU 33 1HD1 LEU 33 -0.010 -4.030 -5.603 284 2HD1 LEU 33 2HD1 LEU 33 0.093 -5.638 -6.327 285 3HD1 LEU 33 3HD1 LEU 33 -1.490 -4.911 -5.971 286 1HD2 LEU 33 1HD2 LEU 33 -1.321 -5.355 -2.291 287 2HD2 LEU 33 2HD2 LEU 33 -1.340 -3.909 -3.316 288 3HD2 LEU 33 3HD2 LEU 33 -2.470 -5.239 -3.640 289 H SER 34 H SER 34 -1.612 -10.076 -3.965 290 HA SER 34 HA SER 34 -0.082 -11.484 -5.804 291 1HB SER 34 1HB SER 34 -2.363 -12.592 -4.108 292 2HB SER 34 2HB SER 34 -1.069 -13.536 -4.871 293 HG SER 34 HG SER 34 -0.778 -11.546 -2.868 294 H LYS 35 H LYS 35 -3.643 -10.989 -5.883 295 HA LYS 35 HA LYS 35 -4.212 -12.719 -8.079 296 1HB LYS 35 1HB LYS 35 -5.512 -10.194 -7.000 297 2HB LYS 35 2HB LYS 35 -6.178 -11.082 -8.375 298 1HG LYS 35 1HG LYS 35 -6.713 -12.976 -7.105 299 2HG LYS 35 2HG LYS 35 -5.648 -12.519 -5.770 300 1HD LYS 35 1HD LYS 35 -8.070 -12.162 -5.254 301 2HD LYS 35 2HD LYS 35 -7.077 -10.708 -5.102 302 1HE LYS 35 1HE LYS 35 -7.895 -9.909 -7.318 303 2HE LYS 35 2HE LYS 35 -8.886 -11.376 -7.464 304 1HZ LYS 35 1HZ LYS 35 -9.109 -9.287 -5.401 305 2HZ LYS 35 2HZ LYS 35 -10.035 -10.653 -5.470 306 3HZ LYS 35 3HZ LYS 35 -10.131 -9.525 -6.668 307 H THR 36 H THR 36 -2.878 -9.420 -7.989 308 HA THR 36 HA THR 36 -3.270 -9.102 -10.934 309 HB THR 36 HB THR 36 -2.634 -6.716 -10.373 310 HG1 THR 36 HG1 THR 36 -3.274 -7.490 -7.708 311 1HG2 THR 36 1HG2 THR 36 -4.864 -6.150 -9.483 312 2HG2 THR 36 2HG2 THR 36 -4.984 -7.397 -10.738 313 3HG2 THR 36 3HG2 THR 36 -5.136 -7.843 -9.026 314 H SER 37 H SER 37 -0.824 -8.236 -8.509 315 HA SER 37 HA SER 37 1.383 -8.827 -10.460 316 1HB SER 37 1HB SER 37 1.376 -7.167 -7.915 317 2HB SER 37 2HB SER 37 2.736 -7.379 -9.042 318 HG SER 37 HG SER 37 0.200 -6.276 -9.713 319 H THR 38 H THR 38 1.910 -10.981 -10.143 320 HA THR 38 HA THR 38 1.449 -12.384 -7.705 321 HB THR 38 HB THR 38 2.625 -14.207 -8.976 322 HG1 THR 38 HG1 THR 38 4.032 -12.835 -10.097 323 1HG2 THR 38 1HG2 THR 38 0.188 -13.836 -9.270 324 2HG2 THR 38 2HG2 THR 38 0.509 -12.682 -10.580 325 3HG2 THR 38 3HG2 THR 38 0.959 -14.385 -10.770 326 H TRP 39 H TRP 39 2.714 -10.732 -6.379 327 HA TRP 39 HA TRP 39 5.612 -11.408 -6.136 328 1HB TRP 39 1HB TRP 39 3.826 -9.281 -4.900 329 2HB TRP 39 2HB TRP 39 5.518 -9.497 -4.500 330 HD1 TRP 39 HD1 TRP 39 6.890 -9.666 -7.252 331 HE1 TRP 39 HE1 TRP 39 7.016 -7.598 -8.801 332 HE3 TRP 39 HE3 TRP 39 2.889 -7.023 -5.456 333 HZ2 TRP 39 HZ2 TRP 39 5.617 -5.136 -9.167 334 HZ3 TRP 39 HZ3 TRP 39 2.361 -4.787 -6.385 335 HH2 TRP 39 HH2 TRP 39 3.676 -3.870 -8.272 336 H SER 40 H SER 40 6.386 -12.319 -4.123 337 HA SER 40 HA SER 40 4.500 -14.105 -2.902 338 1HB SER 40 1HB SER 40 6.366 -14.828 -1.531 339 2HB SER 40 2HB SER 40 6.924 -14.603 -3.192 340 HG SER 40 HG SER 40 8.341 -13.680 -1.636 341 HA PRO 41 HA PRO 41 2.973 -11.632 0.473 342 1HB PRO 41 1HB PRO 41 3.789 -13.872 2.331 343 2HB PRO 41 2HB PRO 41 2.276 -12.983 2.295 344 1HG PRO 41 1HG PRO 41 2.559 -15.474 1.260 345 2HG PRO 41 2HG PRO 41 1.647 -14.166 0.492 346 1HD PRO 41 1HD PRO 41 4.416 -15.160 -0.221 347 2HD PRO 41 2HD PRO 41 3.065 -14.739 -1.319 348 H LYS 42 H LYS 42 6.125 -13.296 1.062 349 HA LYS 42 HA LYS 42 7.177 -11.447 2.912 350 1HB LYS 42 1HB LYS 42 8.257 -13.566 2.527 351 2HB LYS 42 2HB LYS 42 8.514 -13.200 0.817 352 1HG LYS 42 1HG LYS 42 10.582 -13.003 2.113 353 2HG LYS 42 2HG LYS 42 10.147 -11.472 1.354 354 1HD LYS 42 1HD LYS 42 9.231 -10.659 3.543 355 2HD LYS 42 2HD LYS 42 9.669 -12.212 4.284 356 1HE LYS 42 1HE LYS 42 12.059 -11.769 3.754 357 2HE LYS 42 2HE LYS 42 11.604 -10.252 2.948 358 1HZ LYS 42 1HZ LYS 42 11.183 -10.853 5.788 359 2HZ LYS 42 2HZ LYS 42 10.778 -9.450 5.021 360 3HZ LYS 42 3HZ LYS 42 12.360 -9.883 5.163 361 H THR 43 H THR 43 7.332 -11.457 -0.703 362 HA THR 43 HA THR 43 8.901 -9.099 -0.975 363 HB THR 43 HB THR 43 6.729 -10.191 -2.806 364 HG1 THR 43 HG1 THR 43 8.318 -11.695 -2.477 365 1HG2 THR 43 1HG2 THR 43 9.034 -8.282 -3.359 366 2HG2 THR 43 2HG2 THR 43 8.020 -9.046 -4.600 367 3HG2 THR 43 3HG2 THR 43 7.293 -7.905 -3.456 368 H ILE 44 H ILE 44 5.290 -9.519 -0.977 369 HA ILE 44 HA ILE 44 4.577 -6.825 -1.187 370 HB ILE 44 HB ILE 44 3.321 -9.180 0.285 371 1HG1 ILE 44 1HG1 ILE 44 3.757 -9.366 -2.244 372 2HG1 ILE 44 2HG1 ILE 44 2.159 -9.674 -1.632 373 1HG2 ILE 44 1HG2 ILE 44 1.160 -7.851 -0.066 374 2HG2 ILE 44 2HG2 ILE 44 2.202 -6.425 -0.249 375 3HG2 ILE 44 3HG2 ILE 44 2.230 -7.372 1.254 376 1HD1 ILE 44 1HD1 ILE 44 2.121 -8.341 -3.662 377 2HD1 ILE 44 2HD1 ILE 44 1.520 -7.327 -2.337 378 3HD1 ILE 44 3HD1 ILE 44 3.176 -7.105 -2.945 379 H GLN 45 H GLN 45 5.092 -8.754 1.755 380 HA GLN 45 HA GLN 45 4.655 -6.705 3.659 381 1HB GLN 45 1HB GLN 45 6.311 -9.233 3.764 382 2HB GLN 45 2HB GLN 45 6.032 -8.182 5.165 383 1HG GLN 45 1HG GLN 45 3.650 -8.516 5.088 384 2HG GLN 45 2HG GLN 45 3.703 -9.251 3.502 385 1HE2 GLN 45 1HE2 GLN 45 5.527 -9.870 6.574 386 2HE2 GLN 45 2HE2 GLN 45 5.159 -11.587 6.582 387 H THR 46 H THR 46 7.650 -7.569 1.884 388 HA THR 46 HA THR 46 9.306 -5.705 3.296 389 HB THR 46 HB THR 46 9.641 -6.692 0.432 390 HG1 THR 46 HG1 THR 46 9.413 -8.410 1.919 391 1HG2 THR 46 1HG2 THR 46 11.643 -5.701 2.508 392 2HG2 THR 46 2HG2 THR 46 12.040 -6.370 0.912 393 3HG2 THR 46 3HG2 THR 46 11.164 -4.833 1.032 394 H MET 47 H MET 47 7.439 -5.403 0.206 395 HA MET 47 HA MET 47 8.097 -2.694 -0.326 396 1HB MET 47 1HB MET 47 5.583 -4.292 -0.992 397 2HB MET 47 2HB MET 47 5.993 -2.713 -1.676 398 1HG MET 47 1HG MET 47 8.043 -3.603 -2.632 399 2HG MET 47 2HG MET 47 7.764 -5.183 -1.920 400 1HE MET 47 1HE MET 47 8.420 -5.993 -4.325 401 2HE MET 47 2HE MET 47 7.394 -5.769 -5.762 402 3HE MET 47 3HE MET 47 8.331 -4.404 -5.107 403 H LEU 48 H LEU 48 5.374 -4.078 1.548 404 HA LEU 48 HA LEU 48 4.141 -1.636 2.296 405 1HB LEU 48 1HB LEU 48 4.307 -4.328 3.687 406 2HB LEU 48 2HB LEU 48 3.308 -3.007 4.288 407 HG LEU 48 HG LEU 48 2.983 -4.086 1.458 408 1HD1 LEU 48 1HD1 LEU 48 1.161 -5.472 2.320 409 2HD1 LEU 48 2HD1 LEU 48 2.676 -5.934 3.088 410 3HD1 LEU 48 3HD1 LEU 48 1.510 -4.949 3.983 411 1HD2 LEU 48 1HD2 LEU 48 0.699 -3.135 1.723 412 2HD2 LEU 48 2HD2 LEU 48 1.937 -1.882 1.873 413 3HD2 LEU 48 3HD2 LEU 48 1.142 -2.520 3.326 414 H LEU 49 H LEU 49 6.704 -3.564 3.968 415 HA LEU 49 HA LEU 49 7.005 -1.852 6.175 416 1HB LEU 49 1HB LEU 49 7.965 -4.092 5.958 417 2HB LEU 49 2HB LEU 49 9.153 -3.523 4.786 418 HG LEU 49 HG LEU 49 8.968 -2.224 7.527 419 1HD1 LEU 49 1HD1 LEU 49 10.580 -3.893 8.380 420 2HD1 LEU 49 2HD1 LEU 49 9.032 -4.640 7.956 421 3HD1 LEU 49 3HD1 LEU 49 10.427 -4.814 6.867 422 1HD2 LEU 49 1HD2 LEU 49 11.436 -1.986 7.199 423 2HD2 LEU 49 2HD2 LEU 49 10.548 -1.170 5.917 424 3HD2 LEU 49 3HD2 LEU 49 11.293 -2.750 5.605 425 H ARG 50 H ARG 50 8.701 -1.721 2.961 426 HA ARG 50 HA ARG 50 10.182 0.635 3.553 427 1HB ARG 50 1HB ARG 50 9.022 -0.293 0.884 428 2HB ARG 50 2HB ARG 50 10.041 1.123 1.100 429 1HG ARG 50 1HG ARG 50 11.706 -0.549 2.287 430 2HG ARG 50 2HG ARG 50 10.799 -1.787 1.405 431 1HD ARG 50 1HD ARG 50 12.245 0.646 0.237 432 2HD ARG 50 2HD ARG 50 12.791 -1.022 0.158 433 HE ARG 50 HE ARG 50 10.886 -1.600 -1.225 434 1HH1 ARG 50 1HH1 ARG 50 11.537 1.956 -1.089 435 2HH1 ARG 50 2HH1 ARG 50 10.852 2.192 -2.653 436 1HH2 ARG 50 1HH2 ARG 50 10.129 -1.183 -3.297 437 2HH2 ARG 50 2HH2 ARG 50 10.078 0.443 -3.934 438 H LEU 51 H LEU 51 6.963 0.370 1.933 439 HA LEU 51 HA LEU 51 6.488 3.055 1.677 440 1HB LEU 51 1HB LEU 51 4.711 0.657 2.103 441 2HB LEU 51 2HB LEU 51 3.943 2.228 2.197 442 HG LEU 51 HG LEU 51 5.602 1.424 -0.202 443 1HD1 LEU 51 1HD1 LEU 51 3.798 -0.217 0.073 444 2HD1 LEU 51 2HD1 LEU 51 3.478 0.849 -1.308 445 3HD1 LEU 51 3HD1 LEU 51 2.606 1.096 0.222 446 1HD2 LEU 51 1HD2 LEU 51 4.145 3.185 -1.302 447 2HD2 LEU 51 2HD2 LEU 51 3.438 3.545 0.278 448 3HD2 LEU 51 3HD2 LEU 51 5.163 3.832 -0.021 449 H ILE 52 H ILE 52 5.705 1.056 4.558 450 HA ILE 52 HA ILE 52 4.495 3.229 5.981 451 HB ILE 52 HB ILE 52 5.490 0.495 6.846 452 1HG1 ILE 52 1HG1 ILE 52 2.612 1.387 6.392 453 2HG1 ILE 52 2HG1 ILE 52 3.573 0.754 5.069 454 1HG2 ILE 52 1HG2 ILE 52 3.961 0.796 8.813 455 2HG2 ILE 52 2HG2 ILE 52 3.686 2.479 8.318 456 3HG2 ILE 52 3HG2 ILE 52 5.296 1.942 8.839 457 1HD1 ILE 52 1HD1 ILE 52 2.782 -0.737 7.577 458 2HD1 ILE 52 2HD1 ILE 52 4.061 -1.307 6.478 459 3HD1 ILE 52 3HD1 ILE 52 2.417 -1.091 5.872 460 H LYS 53 H LYS 53 7.620 1.500 6.483 461 HA LYS 53 HA LYS 53 8.340 3.220 8.674 462 1HB LYS 53 1HB LYS 53 8.961 0.799 8.368 463 2HB LYS 53 2HB LYS 53 10.089 1.299 7.095 464 1HG LYS 53 1HG LYS 53 11.277 2.737 8.762 465 2HG LYS 53 2HG LYS 53 10.145 2.191 10.014 466 1HD LYS 53 1HD LYS 53 10.859 -0.175 9.589 467 2HD LYS 53 2HD LYS 53 12.050 0.406 8.416 468 1HE LYS 53 1HE LYS 53 11.967 1.114 11.393 469 2HE LYS 53 2HE LYS 53 13.061 -0.055 10.636 470 1HZ LYS 53 1HZ LYS 53 14.124 2.033 10.949 471 2HZ LYS 53 2HZ LYS 53 13.976 1.733 9.336 472 3HZ LYS 53 3HZ LYS 53 12.980 2.824 10.069 473 H LYS 54 H LYS 54 9.146 3.141 5.196 474 HA LYS 54 HA LYS 54 11.288 5.096 5.625 475 1HB LYS 54 1HB LYS 54 11.246 2.825 4.188 476 2HB LYS 54 2HB LYS 54 10.695 3.938 2.967 477 1HG LYS 54 1HG LYS 54 13.069 3.739 2.763 478 2HG LYS 54 2HG LYS 54 12.733 5.354 3.372 479 1HD LYS 54 1HD LYS 54 14.692 4.259 4.449 480 2HD LYS 54 2HD LYS 54 13.476 4.776 5.604 481 1HE LYS 54 1HE LYS 54 14.421 2.551 6.141 482 2HE LYS 54 2HE LYS 54 12.676 2.478 5.891 483 1HZ LYS 54 1HZ LYS 54 14.732 1.755 3.913 484 2HZ LYS 54 2HZ LYS 54 13.822 0.697 4.790 485 3HZ LYS 54 3HZ LYS 54 13.104 1.672 3.672 486 H GLY 55 H GLY 55 8.388 5.957 5.758 487 1HA GLY 55 1HA GLY 55 8.052 8.324 5.544 488 2HA GLY 55 2HA GLY 55 8.849 8.292 3.972 489 H ALA 56 H ALA 56 6.424 5.851 3.658 490 HA ALA 56 HA ALA 56 4.824 7.970 2.234 491 1HB ALA 56 1HB ALA 56 3.883 6.201 0.930 492 2HB ALA 56 2HB ALA 56 5.630 6.111 0.841 493 3HB ALA 56 3HB ALA 56 4.737 4.976 1.855 494 H LEU 57 H LEU 57 4.046 4.928 3.895 495 HA LEU 57 HA LEU 57 1.199 5.832 4.152 496 1HB LEU 57 1HB LEU 57 2.389 3.750 2.885 497 2HB LEU 57 2HB LEU 57 2.209 3.020 4.470 498 HG LEU 57 HG LEU 57 -0.311 3.574 4.249 499 1HD1 LEU 57 1HD1 LEU 57 -1.051 3.897 1.858 500 2HD1 LEU 57 2HD1 LEU 57 -0.136 5.298 2.437 501 3HD1 LEU 57 3HD1 LEU 57 0.643 4.106 1.385 502 1HD2 LEU 57 1HD2 LEU 57 -0.646 1.658 2.685 503 2HD2 LEU 57 2HD2 LEU 57 1.050 1.770 2.185 504 3HD2 LEU 57 3HD2 LEU 57 0.653 1.321 3.853 505 H ASN 58 H ASN 58 -0.047 4.864 6.051 506 HA ASN 58 HA ASN 58 1.624 4.562 8.507 507 1HB ASN 58 1HB ASN 58 0.585 6.719 8.522 508 2HB ASN 58 2HB ASN 58 -0.997 6.061 8.129 509 1HD2 ASN 58 1HD2 ASN 58 -2.240 5.007 9.762 510 2HD2 ASN 58 2HD2 ASN 58 -1.597 4.654 11.359 511 H HIS 59 H HIS 59 0.812 3.148 10.078 512 HA HIS 59 HA HIS 59 -0.897 0.925 9.057 513 1HB HIS 59 1HB HIS 59 1.470 0.392 9.618 514 2HB HIS 59 2HB HIS 59 1.192 1.102 11.223 515 HD2 HIS 59 HD2 HIS 59 1.322 -2.281 9.696 516 HE1 HIS 59 HE1 HIS 59 -0.664 -2.639 13.412 517 HE2 HIS 59 HE2 HIS 59 0.483 -3.943 11.539 518 H HIS 60 H HIS 60 -2.377 0.027 10.507 519 HA HIS 60 HA HIS 60 -3.007 1.318 13.075 520 1HB HIS 60 1HB HIS 60 -4.397 2.605 11.649 521 2HB HIS 60 2HB HIS 60 -4.869 1.136 10.789 522 HD2 HIS 60 HD2 HIS 60 -7.519 0.938 11.410 523 HE1 HIS 60 HE1 HIS 60 -7.075 1.100 15.617 524 HE2 HIS 60 HE2 HIS 60 -8.740 0.695 13.718 525 H LYS 61 H LYS 61 -4.102 -0.165 14.460 526 HA LYS 61 HA LYS 61 -4.041 -3.035 13.581 527 1HB LYS 61 1HB LYS 61 -2.619 -2.527 15.523 528 2HB LYS 61 2HB LYS 61 -4.021 -1.872 16.389 529 1HG LYS 61 1HG LYS 61 -5.148 -4.098 16.222 530 2HG LYS 61 2HG LYS 61 -3.749 -4.736 15.337 531 1HD LYS 61 1HD LYS 61 -2.310 -4.308 17.311 532 2HD LYS 61 2HD LYS 61 -3.701 -3.622 18.179 533 1HE LYS 61 1HE LYS 61 -4.897 -5.801 17.991 534 2HE LYS 61 2HE LYS 61 -3.509 -6.490 17.131 535 1HZ LYS 61 1HZ LYS 61 -2.186 -6.095 19.080 536 2HZ LYS 61 2HZ LYS 61 -3.487 -7.040 19.439 537 3HZ LYS 61 3HZ LYS 61 -3.479 -5.452 19.878 538 H GLU 62 H GLU 62 -6.103 -3.221 12.577 539 HA GLU 62 HA GLU 62 -8.384 -1.840 13.905 540 1HB GLU 62 1HB GLU 62 -7.966 -1.831 11.383 541 2HB GLU 62 2HB GLU 62 -8.451 -3.534 11.402 542 1HG GLU 62 1HG GLU 62 -10.418 -2.374 10.854 543 2HG GLU 62 2HG GLU 62 -10.622 -2.711 12.576 544 H GLY 63 H GLY 63 -7.924 -3.126 15.766 545 1HA GLY 63 1HA GLY 63 -8.526 -4.684 17.314 546 2HA GLY 63 2HA GLY 63 -9.887 -5.105 16.269 547 H ARG 64 H ARG 64 -9.353 -6.556 14.433 548 HA ARG 64 HA ARG 64 -7.793 -8.891 15.435 549 1HB ARG 64 1HB ARG 64 -10.157 -9.210 14.988 550 2HB ARG 64 2HB ARG 64 -9.921 -8.702 13.306 551 1HG ARG 64 1HG ARG 64 -8.491 -10.650 12.873 552 2HG ARG 64 2HG ARG 64 -8.439 -11.050 14.596 553 1HD ARG 64 1HD ARG 64 -9.958 -12.519 13.377 554 2HD ARG 64 2HD ARG 64 -10.792 -11.450 14.526 555 HE ARG 64 HE ARG 64 -10.734 -10.249 11.925 556 1HH1 ARG 64 1HH1 ARG 64 -12.321 -12.876 13.659 557 2HH1 ARG 64 2HH1 ARG 64 -13.766 -12.850 12.686 558 1HH2 ARG 64 1HH2 ARG 64 -12.616 -10.187 10.637 559 2HH2 ARG 64 2HH2 ARG 64 -13.932 -11.290 10.929 560 H VAL 65 H VAL 65 -8.258 -6.819 12.507 561 HA VAL 65 HA VAL 65 -5.880 -8.132 11.242 562 HB VAL 65 HB VAL 65 -6.736 -7.240 9.161 563 1HG1 VAL 65 1HG1 VAL 65 -8.845 -8.941 10.506 564 2HG1 VAL 65 2HG1 VAL 65 -8.555 -8.763 8.761 565 3HG1 VAL 65 3HG1 VAL 65 -7.322 -9.529 9.781 566 1HG2 VAL 65 1HG2 VAL 65 -9.116 -6.456 8.975 567 2HG2 VAL 65 2HG2 VAL 65 -8.095 -5.323 9.863 568 3HG2 VAL 65 3HG2 VAL 65 -9.221 -6.385 10.735 569 H PHE 66 H PHE 66 -4.232 -6.718 10.396 570 HA PHE 66 HA PHE 66 -4.415 -3.954 11.488 571 1HB PHE 66 1HB PHE 66 -2.134 -3.699 11.062 572 2HB PHE 66 2HB PHE 66 -2.498 -4.881 12.300 573 HD1 PHE 66 HD1 PHE 66 -0.582 -4.363 9.277 574 HD2 PHE 66 HD2 PHE 66 -2.395 -7.362 11.802 575 HE1 PHE 66 HE1 PHE 66 1.180 -5.990 8.645 576 HE2 PHE 66 HE2 PHE 66 -0.767 -9.036 10.973 577 HZ PHE 66 HZ PHE 66 1.042 -8.343 9.415 578 H VAL 67 H VAL 67 -4.459 -2.282 10.271 579 HA VAL 67 HA VAL 67 -5.110 -2.590 7.420 580 HB VAL 67 HB VAL 67 -6.251 -0.844 9.629 581 1HG1 VAL 67 1HG1 VAL 67 -7.768 0.140 7.928 582 2HG1 VAL 67 2HG1 VAL 67 -6.816 -0.627 6.644 583 3HG1 VAL 67 3HG1 VAL 67 -6.091 0.627 7.678 584 1HG2 VAL 67 1HG2 VAL 67 -8.365 -1.936 9.011 585 2HG2 VAL 67 2HG2 VAL 67 -7.143 -3.165 9.396 586 3HG2 VAL 67 3HG2 VAL 67 -7.555 -2.817 7.704 587 H TYR 68 H TYR 68 -4.314 -1.216 5.961 588 HA TYR 68 HA TYR 68 -2.168 0.656 6.887 589 1HB TYR 68 1HB TYR 68 -2.825 -0.336 4.092 590 2HB TYR 68 2HB TYR 68 -1.456 0.660 4.590 591 HD1 TYR 68 HD1 TYR 68 -2.390 -2.633 3.807 592 HD2 TYR 68 HD2 TYR 68 -0.070 -0.406 6.685 593 HE1 TYR 68 HE1 TYR 68 -1.237 -4.704 4.506 594 HE2 TYR 68 HE2 TYR 68 1.011 -2.515 7.425 595 HH TYR 68 HH TYR 68 -0.267 -5.552 6.625 596 H THR 69 H THR 69 -2.725 2.714 7.051 597 HA THR 69 HA THR 69 -5.272 3.736 5.915 598 HB THR 69 HB THR 69 -4.745 5.614 7.504 599 HG1 THR 69 HG1 THR 69 -2.439 4.723 7.500 600 1HG2 THR 69 1HG2 THR 69 -5.364 4.337 9.520 601 2HG2 THR 69 2HG2 THR 69 -4.914 2.815 8.730 602 3HG2 THR 69 3HG2 THR 69 -6.295 3.759 8.124 603 HA PRO 70 HA PRO 70 -2.348 5.500 2.923 604 1HB PRO 70 1HB PRO 70 -4.860 6.791 1.816 605 2HB PRO 70 2HB PRO 70 -3.559 5.923 0.954 606 1HG PRO 70 1HG PRO 70 -5.941 4.706 1.445 607 2HG PRO 70 2HG PRO 70 -4.404 3.820 1.693 608 1HD PRO 70 1HD PRO 70 -6.084 5.201 3.803 609 2HD PRO 70 2HD PRO 70 -5.400 3.549 3.774 610 H ASN 71 H ASN 71 -1.429 6.689 4.567 611 HA ASN 71 HA ASN 71 -1.957 9.223 5.525 612 1HB ASN 71 1HB ASN 71 0.012 7.700 5.912 613 2HB ASN 71 2HB ASN 71 0.642 8.275 4.392 614 1HD2 ASN 71 1HD2 ASN 71 -0.674 9.756 7.435 615 2HD2 ASN 71 2HD2 ASN 71 0.524 11.030 7.479 616 H ILE 72 H ILE 72 -1.009 8.267 2.377 617 HA ILE 72 HA ILE 72 -0.964 11.059 1.287 618 HB ILE 72 HB ILE 72 0.072 9.953 -0.705 619 1HG1 ILE 72 1HG1 ILE 72 -0.442 7.524 0.058 620 2HG1 ILE 72 2HG1 ILE 72 1.056 7.917 -0.786 621 1HG2 ILE 72 1HG2 ILE 72 1.396 11.357 0.732 622 2HG2 ILE 72 2HG2 ILE 72 2.354 9.969 0.222 623 3HG2 ILE 72 3HG2 ILE 72 1.689 10.026 1.870 624 1HD1 ILE 72 1HD1 ILE 72 0.862 7.531 2.212 625 2HD1 ILE 72 2HD1 ILE 72 1.457 6.362 1.026 626 3HD1 ILE 72 3HD1 ILE 72 2.325 7.875 1.263 627 H ASP 73 H ASP 73 -2.667 11.661 0.029 628 HA ASP 73 HA ASP 73 -4.932 9.994 -0.244 629 1HB ASP 73 1HB ASP 73 -5.870 11.977 -1.190 630 2HB ASP 73 2HB ASP 73 -4.840 12.496 0.131 631 H GLU 74 H GLU 74 -6.102 9.848 -2.309 632 HA GLU 74 HA GLU 74 -5.254 8.096 -4.140 633 1HB GLU 74 1HB GLU 74 -7.127 10.454 -4.439 634 2HB GLU 74 2HB GLU 74 -6.846 9.312 -5.758 635 1HG GLU 74 1HG GLU 74 -8.843 8.748 -4.446 636 2HG GLU 74 2HG GLU 74 -7.654 7.452 -4.491 637 H SER 75 H SER 75 -5.297 11.545 -5.123 638 HA SER 75 HA SER 75 -3.272 10.941 -7.181 639 1HB SER 75 1HB SER 75 -4.774 13.526 -6.699 640 2HB SER 75 2HB SER 75 -3.952 12.981 -8.174 641 HG SER 75 HG SER 75 -5.498 11.103 -7.999 642 H ASP 76 H ASP 76 -2.390 11.002 -4.309 643 HA ASP 76 HA ASP 76 -0.837 13.381 -3.889 644 1HB ASP 76 1HB ASP 76 -1.093 11.802 -2.078 645 2HB ASP 76 2HB ASP 76 -0.475 10.468 -3.070 646 H TYR 77 H TYR 77 -0.333 10.362 -5.653 647 HA TYR 77 HA TYR 77 2.129 11.432 -6.952 648 1HB TYR 77 1HB TYR 77 2.277 9.388 -5.332 649 2HB TYR 77 2HB TYR 77 1.448 8.496 -6.597 650 HD1 TYR 77 HD1 TYR 77 2.697 7.838 -8.632 651 HD2 TYR 77 HD2 TYR 77 4.520 10.369 -5.657 652 HE1 TYR 77 HE1 TYR 77 4.930 7.367 -9.595 653 HE2 TYR 77 HE2 TYR 77 6.748 9.890 -6.615 654 HH TYR 77 HH TYR 77 7.936 8.698 -8.197 655 H ILE 78 H ILE 78 2.328 10.107 -9.154 656 HA ILE 78 HA ILE 78 -0.075 10.756 -10.678 657 HB ILE 78 HB ILE 78 2.588 9.551 -11.533 658 1HG1 ILE 78 1HG1 ILE 78 1.575 12.435 -11.558 659 2HG1 ILE 78 2HG1 ILE 78 2.863 11.787 -10.532 660 1HG2 ILE 78 1HG2 ILE 78 0.404 10.868 -13.209 661 2HG2 ILE 78 2HG2 ILE 78 1.921 10.161 -13.806 662 3HG2 ILE 78 3HG2 ILE 78 0.685 9.117 -13.126 663 1HD1 ILE 78 1HD1 ILE 78 4.166 11.215 -12.609 664 2HD1 ILE 78 2HD1 ILE 78 2.955 12.128 -13.545 665 3HD1 ILE 78 3HD1 ILE 78 3.918 12.948 -12.312 666 H GLU 79 H GLU 79 -1.732 9.317 -10.359 667 HA GLU 79 HA GLU 79 -1.382 6.492 -9.942 668 1HB GLU 79 1HB GLU 79 -3.784 8.241 -10.660 669 2HB GLU 79 2HB GLU 79 -3.859 6.548 -10.181 670 1HG GLU 79 1HG GLU 79 -2.922 7.050 -7.976 671 2HG GLU 79 2HG GLU 79 -2.713 8.745 -8.420 672 H VAL 80 H VAL 80 -0.280 5.565 -11.682 673 HA VAL 80 HA VAL 80 -0.840 6.209 -14.415 674 HB VAL 80 HB VAL 80 0.676 4.401 -14.959 675 1HG1 VAL 80 1HG1 VAL 80 1.743 5.915 -12.542 676 2HG1 VAL 80 2HG1 VAL 80 1.582 6.592 -14.177 677 3HG1 VAL 80 3HG1 VAL 80 2.673 5.227 -13.882 678 1HG2 VAL 80 1HG2 VAL 80 0.043 2.660 -13.379 679 2HG2 VAL 80 2HG2 VAL 80 1.758 3.029 -13.181 680 3HG2 VAL 80 3HG2 VAL 80 0.577 3.640 -12.009 681 H LYS 81 H LYS 81 -1.872 5.003 -16.014 682 HA LYS 81 HA LYS 81 -3.493 3.762 -16.955 683 1HB LYS 81 1HB LYS 81 -3.065 1.732 -14.738 684 2HB LYS 81 2HB LYS 81 -3.788 1.458 -16.330 685 1HG LYS 81 1HG LYS 81 -1.574 2.114 -17.355 686 2HG LYS 81 2HG LYS 81 -0.879 2.155 -15.731 687 1HD LYS 81 1HD LYS 81 -2.114 -0.246 -17.151 688 2HD LYS 81 2HD LYS 81 -0.401 0.012 -16.808 689 1HE LYS 81 1HE LYS 81 -2.618 -0.530 -14.773 690 2HE LYS 81 2HE LYS 81 -1.305 -1.609 -15.246 691 1HZ LYS 81 1HZ LYS 81 -1.017 0.936 -13.826 692 2HZ LYS 81 2HZ LYS 81 -0.803 -0.570 -13.198 693 3HZ LYS 81 3HZ LYS 81 0.243 -0.001 -14.333 694 H SER 82 H SER 82 -5.190 1.965 -14.736 695 HA SER 82 HA SER 82 -6.671 3.859 -13.263 696 1HB SER 82 1HB SER 82 -7.881 2.662 -15.807 697 2HB SER 82 2HB SER 82 -8.830 3.316 -14.462 698 HG SER 82 HG SER 82 -6.852 4.991 -15.464 Start of MODEL 9 1 1H MET 1 1H MET 1 11.042 13.406 -3.339 2 2H MET 1 2H MET 1 11.103 14.772 -4.067 3 3H MET 1 3H MET 1 9.708 14.386 -3.162 4 HA MET 1 HA MET 1 12.360 14.564 -1.952 5 1HB MET 1 1HB MET 1 10.262 16.794 -2.062 6 2HB MET 1 2HB MET 1 11.730 16.817 -1.072 7 1HG MET 1 1HG MET 1 11.633 16.770 -4.115 8 2HG MET 1 2HG MET 1 12.041 18.142 -3.093 9 1HE MET 1 1HE MET 1 15.297 16.912 -5.093 10 2HE MET 1 2HE MET 1 14.077 18.203 -4.985 11 3HE MET 1 3HE MET 1 13.624 16.599 -5.613 12 H LYS 2 H LYS 2 12.108 14.775 0.462 13 HA LYS 2 HA LYS 2 10.039 12.982 1.433 14 1HB LYS 2 1HB LYS 2 12.321 14.493 2.757 15 2HB LYS 2 2HB LYS 2 11.199 13.437 3.639 16 1HG LYS 2 1HG LYS 2 11.766 11.528 2.289 17 2HG LYS 2 2HG LYS 2 12.772 12.507 1.205 18 1HD LYS 2 1HD LYS 2 14.412 12.891 2.943 19 2HD LYS 2 2HD LYS 2 13.357 12.181 4.177 20 1HE LYS 2 1HE LYS 2 15.175 10.626 3.404 21 2HE LYS 2 2HE LYS 2 13.540 9.973 3.215 22 1HZ LYS 2 1HZ LYS 2 13.602 10.508 0.922 23 2HZ LYS 2 2HZ LYS 2 15.093 11.214 1.055 24 3HZ LYS 2 3HZ LYS 2 14.917 9.593 1.298 25 H LYS 3 H LYS 3 8.433 14.421 0.532 26 HA LYS 3 HA LYS 3 7.018 15.926 2.591 27 1HB LYS 3 1HB LYS 3 7.679 17.183 -0.132 28 2HB LYS 3 2HB LYS 3 6.505 17.818 1.023 29 1HG LYS 3 1HG LYS 3 9.503 17.579 1.493 30 2HG LYS 3 2HG LYS 3 8.652 19.046 1.019 31 1HD LYS 3 1HD LYS 3 7.353 19.075 3.086 32 2HD LYS 3 2HD LYS 3 8.072 17.550 3.621 33 1HE LYS 3 1HE LYS 3 9.626 20.129 3.166 34 2HE LYS 3 2HE LYS 3 9.116 19.465 4.728 35 1HZ LYS 3 1HZ LYS 3 10.995 18.239 2.846 36 2HZ LYS 3 2HZ LYS 3 11.323 18.829 4.349 37 3HZ LYS 3 3HZ LYS 3 10.395 17.471 4.168 38 H ILE 4 H ILE 4 7.194 15.129 -0.886 39 HA ILE 4 HA ILE 4 4.398 14.225 -0.889 40 HB ILE 4 HB ILE 4 4.785 13.775 -3.298 41 1HG1 ILE 4 1HG1 ILE 4 6.748 14.949 -4.365 42 2HG1 ILE 4 2HG1 ILE 4 7.580 14.931 -2.822 43 1HG2 ILE 4 1HG2 ILE 4 5.514 16.585 -2.396 44 2HG2 ILE 4 2HG2 ILE 4 4.790 16.118 -3.947 45 3HG2 ILE 4 3HG2 ILE 4 3.875 15.901 -2.451 46 1HD1 ILE 4 1HD1 ILE 4 7.721 12.486 -2.913 47 2HD1 ILE 4 2HD1 ILE 4 6.546 12.427 -4.247 48 3HD1 ILE 4 3HD1 ILE 4 8.163 13.103 -4.500 49 HA PRO 5 HA PRO 5 5.600 10.059 -0.034 50 1HB PRO 5 1HB PRO 5 3.775 9.070 -2.219 51 2HB PRO 5 2HB PRO 5 3.823 8.590 -0.507 52 1HG PRO 5 1HG PRO 5 1.882 10.258 -1.469 53 2HG PRO 5 2HG PRO 5 2.661 10.589 0.110 54 1HD PRO 5 1HD PRO 5 3.294 11.857 -2.566 55 2HD PRO 5 2HD PRO 5 3.006 12.613 -0.972 56 H GLN 6 H GLN 6 7.684 9.499 -0.698 57 HA GLN 6 HA GLN 6 8.461 9.479 -3.529 58 1HB GLN 6 1HB GLN 6 9.915 8.599 -0.993 59 2HB GLN 6 2HB GLN 6 10.631 8.671 -2.612 60 1HG GLN 6 1HG GLN 6 10.210 11.100 -2.719 61 2HG GLN 6 2HG GLN 6 9.497 11.064 -1.098 62 1HE2 GLN 6 1HE2 GLN 6 12.406 11.675 -2.764 63 2HE2 GLN 6 2HE2 GLN 6 13.485 11.430 -1.403 64 H ILE 7 H ILE 7 6.479 8.014 -3.759 65 HA ILE 7 HA ILE 7 6.837 5.200 -3.013 66 HB ILE 7 HB ILE 7 4.648 6.934 -4.106 67 1HG1 ILE 7 1HG1 ILE 7 4.950 4.983 -1.802 68 2HG1 ILE 7 2HG1 ILE 7 5.013 6.750 -1.724 69 1HG2 ILE 7 1HG2 ILE 7 4.564 4.931 -5.594 70 2HG2 ILE 7 2HG2 ILE 7 4.386 3.925 -4.140 71 3HG2 ILE 7 3HG2 ILE 7 3.159 5.123 -4.569 72 1HD1 ILE 7 1HD1 ILE 7 2.860 6.025 -0.957 73 2HD1 ILE 7 2HD1 ILE 7 2.623 6.799 -2.546 74 3HD1 ILE 7 3HD1 ILE 7 2.614 5.027 -2.393 75 H SER 8 H SER 8 7.696 3.698 -4.189 76 HA SER 8 HA SER 8 8.706 4.193 -6.873 77 1HB SER 8 1HB SER 8 8.668 1.570 -5.319 78 2HB SER 8 2HB SER 8 9.804 2.081 -6.581 79 HG SER 8 HG SER 8 9.548 3.067 -3.925 80 H ASP 9 H ASP 9 8.259 2.509 -8.632 81 HA ASP 9 HA ASP 9 5.586 2.380 -9.356 82 1HB ASP 9 1HB ASP 9 7.361 2.047 -10.943 83 2HB ASP 9 2HB ASP 9 7.869 0.538 -10.157 84 H ALA 10 H ALA 10 7.482 -0.272 -7.828 85 HA ALA 10 HA ALA 10 5.453 -2.194 -7.724 86 1HB ALA 10 1HB ALA 10 6.738 -3.188 -5.858 87 2HB ALA 10 2HB ALA 10 7.796 -2.686 -7.190 88 3HB ALA 10 3HB ALA 10 7.697 -1.702 -5.712 89 H GLU 11 H GLU 11 6.329 0.217 -5.234 90 HA GLU 11 HA GLU 11 4.297 -0.344 -3.343 91 1HB GLU 11 1HB GLU 11 5.769 2.214 -4.070 92 2HB GLU 11 2HB GLU 11 4.680 2.085 -2.685 93 1HG GLU 11 1HG GLU 11 6.115 0.388 -1.664 94 2HG GLU 11 2HG GLU 11 7.166 0.356 -3.089 95 H LEU 12 H LEU 12 4.342 1.862 -6.191 96 HA LEU 12 HA LEU 12 1.809 2.958 -5.728 97 1HB LEU 12 1HB LEU 12 3.553 3.819 -7.348 98 2HB LEU 12 2HB LEU 12 3.123 2.502 -8.441 99 HG LEU 12 HG LEU 12 0.779 3.385 -8.563 100 1HD1 LEU 12 1HD1 LEU 12 1.951 5.608 -6.835 101 2HD1 LEU 12 2HD1 LEU 12 0.565 4.575 -6.445 102 3HD1 LEU 12 3HD1 LEU 12 0.434 5.753 -7.752 103 1HD2 LEU 12 1HD2 LEU 12 1.405 5.385 -9.927 104 2HD2 LEU 12 2HD2 LEU 12 3.060 5.259 -9.284 105 3HD2 LEU 12 3HD2 LEU 12 2.390 3.953 -10.275 106 H GLU 13 H GLU 13 2.769 -0.016 -7.481 107 HA GLU 13 HA GLU 13 0.293 -0.636 -8.662 108 1HB GLU 13 1HB GLU 13 1.384 -2.443 -9.317 109 2HB GLU 13 2HB GLU 13 2.789 -1.890 -8.431 110 1HG GLU 13 1HG GLU 13 2.408 -4.204 -8.159 111 2HG GLU 13 2HG GLU 13 2.117 -3.417 -6.620 112 H VAL 14 H VAL 14 1.562 -1.552 -5.463 113 HA VAL 14 HA VAL 14 -0.883 -2.840 -4.721 114 HB VAL 14 HB VAL 14 -0.024 -3.283 -2.696 115 1HG1 VAL 14 1HG1 VAL 14 2.139 -4.272 -3.283 116 2HG1 VAL 14 2HG1 VAL 14 1.177 -4.151 -4.763 117 3HG1 VAL 14 3HG1 VAL 14 2.469 -2.990 -4.444 118 1HG2 VAL 14 1HG2 VAL 14 1.813 -2.329 -1.507 119 2HG2 VAL 14 2HG2 VAL 14 0.633 -1.058 -1.829 120 3HG2 VAL 14 3HG2 VAL 14 2.127 -1.165 -2.791 121 H MET 15 H MET 15 0.378 0.472 -4.112 122 HA MET 15 HA MET 15 -1.695 1.386 -2.484 123 1HB MET 15 1HB MET 15 -0.189 2.796 -4.725 124 2HB MET 15 2HB MET 15 -1.273 3.618 -3.638 125 1HG MET 15 1HG MET 15 0.768 1.972 -2.261 126 2HG MET 15 2HG MET 15 1.371 3.321 -3.200 127 1HE MET 15 1HE MET 15 -1.901 4.189 -0.026 128 2HE MET 15 2HE MET 15 -2.261 3.723 -1.689 129 3HE MET 15 3HE MET 15 -1.571 2.528 -0.581 130 H LYS 16 H LYS 16 -1.628 1.325 -6.090 131 HA LYS 16 HA LYS 16 -4.255 2.375 -6.424 132 1HB LYS 16 1HB LYS 16 -2.368 2.014 -8.156 133 2HB LYS 16 2HB LYS 16 -2.970 0.354 -8.300 134 1HG LYS 16 1HG LYS 16 -5.241 1.276 -8.859 135 2HG LYS 16 2HG LYS 16 -4.592 2.916 -8.675 136 1HD LYS 16 1HD LYS 16 -2.943 2.428 -10.523 137 2HD LYS 16 2HD LYS 16 -3.695 0.836 -10.720 138 1HE LYS 16 1HE LYS 16 -4.623 2.317 -12.393 139 2HE LYS 16 2HE LYS 16 -5.892 1.982 -11.204 140 1HZ LYS 16 1HZ LYS 16 -5.386 4.120 -10.196 141 2HZ LYS 16 2HZ LYS 16 -5.790 4.289 -11.783 142 3HZ LYS 16 3HZ LYS 16 -4.214 4.396 -11.318 143 H VAL 17 H VAL 17 -3.127 -1.044 -6.076 144 HA VAL 17 HA VAL 17 -5.717 -2.197 -6.320 145 HB VAL 17 HB VAL 17 -3.283 -3.145 -4.763 146 1HG1 VAL 17 1HG1 VAL 17 -4.442 -5.373 -4.789 147 2HG1 VAL 17 2HG1 VAL 17 -5.929 -4.543 -5.295 148 3HG1 VAL 17 3HG1 VAL 17 -5.196 -4.199 -3.710 149 1HG2 VAL 17 1HG2 VAL 17 -3.095 -3.036 -7.276 150 2HG2 VAL 17 2HG2 VAL 17 -4.526 -4.074 -7.391 151 3HG2 VAL 17 3HG2 VAL 17 -3.034 -4.688 -6.647 152 H ILE 18 H ILE 18 -4.081 -0.861 -3.376 153 HA ILE 18 HA ILE 18 -6.259 -1.525 -1.640 154 HB ILE 18 HB ILE 18 -4.346 0.819 -1.297 155 1HG1 ILE 18 1HG1 ILE 18 -3.886 -2.141 -1.012 156 2HG1 ILE 18 2HG1 ILE 18 -2.809 -0.807 -1.402 157 1HG2 ILE 18 1HG2 ILE 18 -4.948 0.495 1.124 158 2HG2 ILE 18 2HG2 ILE 18 -6.299 0.983 0.118 159 3HG2 ILE 18 3HG2 ILE 18 -6.157 -0.700 0.613 160 1HD1 ILE 18 1HD1 ILE 18 -2.114 -1.734 0.667 161 2HD1 ILE 18 2HD1 ILE 18 -3.703 -1.467 1.396 162 3HD1 ILE 18 3HD1 ILE 18 -2.697 -0.078 0.908 163 H TRP 19 H TRP 19 -5.492 1.538 -3.405 164 HA TRP 19 HA TRP 19 -7.708 3.043 -2.663 165 1HB TRP 19 1HB TRP 19 -5.679 2.911 -4.900 166 2HB TRP 19 2HB TRP 19 -6.908 4.072 -5.020 167 HD1 TRP 19 HD1 TRP 19 -6.739 4.758 -1.712 168 HE1 TRP 19 HE1 TRP 19 -4.777 6.243 -0.893 169 HE3 TRP 19 HE3 TRP 19 -3.571 4.388 -5.758 170 HZ2 TRP 19 HZ2 TRP 19 -2.195 6.937 -1.729 171 HZ3 TRP 19 HZ3 TRP 19 -1.465 5.662 -5.769 172 HH2 TRP 19 HH2 TRP 19 -0.694 6.826 -3.699 173 H LYS 20 H LYS 20 -7.445 0.525 -5.149 174 HA LYS 20 HA LYS 20 -9.925 1.144 -6.426 175 1HB LYS 20 1HB LYS 20 -8.198 -0.255 -7.449 176 2HB LYS 20 2HB LYS 20 -8.364 -1.456 -6.166 177 1HG LYS 20 1HG LYS 20 -9.427 -2.206 -8.198 178 2HG LYS 20 2HG LYS 20 -10.615 -2.034 -6.902 179 1HD LYS 20 1HD LYS 20 -11.396 0.107 -7.848 180 2HD LYS 20 2HD LYS 20 -10.125 0.047 -9.091 181 1HE LYS 20 1HE LYS 20 -11.134 -2.035 -10.005 182 2HE LYS 20 2HE LYS 20 -12.377 -1.991 -8.738 183 1HZ LYS 20 1HZ LYS 20 -13.123 0.092 -9.626 184 2HZ LYS 20 2HZ LYS 20 -13.165 -1.079 -10.784 185 3HZ LYS 20 3HZ LYS 20 -11.970 0.055 -10.804 186 H HIS 21 H HIS 21 -9.113 -0.515 -3.417 187 HA HIS 21 HA HIS 21 -11.859 -1.583 -3.059 188 1HB HIS 21 1HB HIS 21 -9.646 -2.880 -2.644 189 2HB HIS 21 2HB HIS 21 -9.448 -1.897 -1.221 190 HD2 HIS 21 HD2 HIS 21 -9.883 -5.173 -1.245 191 HE1 HIS 21 HE1 HIS 21 -13.568 -4.259 0.603 192 HE2 HIS 21 HE2 HIS 21 -11.805 -6.096 0.238 193 H SER 22 H SER 22 -12.362 -1.206 -0.457 194 HA SER 22 HA SER 22 -12.784 1.725 -0.215 195 1HB SER 22 1HB SER 22 -13.847 0.926 1.985 196 2HB SER 22 2HB SER 22 -14.598 0.313 0.501 197 HG SER 22 HG SER 22 -13.567 -1.660 0.797 198 H SER 23 H SER 23 -11.411 -0.846 1.758 199 HA SER 23 HA SER 23 -8.832 0.518 1.876 200 1HB SER 23 1HB SER 23 -10.311 -0.400 4.392 201 2HB SER 23 2HB SER 23 -8.572 -0.059 4.341 202 HG SER 23 HG SER 23 -10.204 1.887 3.226 203 H ILE 24 H ILE 24 -7.630 -1.854 3.324 204 HA ILE 24 HA ILE 24 -9.045 -4.137 2.185 205 HB ILE 24 HB ILE 24 -7.740 -3.255 0.264 206 1HG1 ILE 24 1HG1 ILE 24 -6.706 -5.974 1.104 207 2HG1 ILE 24 2HG1 ILE 24 -8.379 -5.690 0.602 208 1HG2 ILE 24 1HG2 ILE 24 -5.782 -2.515 1.767 209 2HG2 ILE 24 2HG2 ILE 24 -5.393 -3.271 0.213 210 3HG2 ILE 24 3HG2 ILE 24 -5.255 -4.199 1.727 211 1HD1 ILE 24 1HD1 ILE 24 -5.917 -5.145 -1.107 212 2HD1 ILE 24 2HD1 ILE 24 -7.583 -4.788 -1.576 213 3HD1 ILE 24 3HD1 ILE 24 -7.074 -6.466 -1.305 214 H ASN 25 H ASN 25 -8.616 -6.088 3.217 215 HA ASN 25 HA ASN 25 -6.987 -5.836 5.679 216 1HB ASN 25 1HB ASN 25 -7.757 -7.993 6.346 217 2HB ASN 25 2HB ASN 25 -9.073 -6.855 6.148 218 1HD2 ASN 25 1HD2 ASN 25 -10.843 -7.863 5.336 219 2HD2 ASN 25 2HD2 ASN 25 -10.821 -9.009 3.996 220 H THR 26 H THR 26 -5.320 -7.257 6.168 221 HA THR 26 HA THR 26 -3.512 -7.443 4.089 222 HB THR 26 HB THR 26 -3.299 -9.143 6.599 223 HG1 THR 26 HG1 THR 26 -3.801 -6.937 7.119 224 1HG2 THR 26 1HG2 THR 26 -1.506 -9.528 4.946 225 2HG2 THR 26 2HG2 THR 26 -0.857 -8.556 6.275 226 3HG2 THR 26 3HG2 THR 26 -1.270 -7.785 4.734 227 H ASN 27 H ASN 27 -5.777 -10.048 5.087 228 HA ASN 27 HA ASN 27 -4.469 -12.088 3.561 229 1HB ASN 27 1HB ASN 27 -6.313 -12.450 5.236 230 2HB ASN 27 2HB ASN 27 -7.467 -11.813 4.061 231 1HD2 ASN 27 1HD2 ASN 27 -5.581 -13.382 1.853 232 2HD2 ASN 27 2HD2 ASN 27 -6.233 -14.990 2.071 233 H GLU 28 H GLU 28 -7.153 -9.815 2.685 234 HA GLU 28 HA GLU 28 -7.315 -10.605 -0.034 235 1HB GLU 28 1HB GLU 28 -8.044 -8.043 1.433 236 2HB GLU 28 2HB GLU 28 -8.410 -8.333 -0.280 237 1HG GLU 28 1HG GLU 28 -9.737 -10.284 0.246 238 2HG GLU 28 2HG GLU 28 -9.292 -10.231 1.942 239 H VAL 29 H VAL 29 -5.305 -8.077 1.584 240 HA VAL 29 HA VAL 29 -4.283 -7.057 -0.848 241 HB VAL 29 HB VAL 29 -4.016 -6.265 1.742 242 1HG1 VAL 29 1HG1 VAL 29 -1.191 -7.128 0.950 243 2HG1 VAL 29 2HG1 VAL 29 -1.639 -6.090 2.303 244 3HG1 VAL 29 3HG1 VAL 29 -2.111 -7.782 2.313 245 1HG2 VAL 29 1HG2 VAL 29 -2.641 -4.460 0.873 246 2HG2 VAL 29 2HG2 VAL 29 -2.162 -5.438 -0.526 247 3HG2 VAL 29 3HG2 VAL 29 -3.832 -4.891 -0.353 248 H ILE 30 H ILE 30 -2.776 -9.551 1.332 249 HA ILE 30 HA ILE 30 -0.648 -10.086 -0.430 250 HB ILE 30 HB ILE 30 -1.963 -11.896 1.643 251 1HG1 ILE 30 1HG1 ILE 30 0.217 -9.791 1.620 252 2HG1 ILE 30 2HG1 ILE 30 -1.111 -9.981 2.732 253 1HG2 ILE 30 1HG2 ILE 30 0.729 -12.174 0.216 254 2HG2 ILE 30 2HG2 ILE 30 -0.671 -13.240 -0.017 255 3HG2 ILE 30 3HG2 ILE 30 0.140 -13.210 1.535 256 1HD1 ILE 30 1HD1 ILE 30 0.850 -10.502 3.926 257 2HD1 ILE 30 2HD1 ILE 30 1.460 -11.552 2.647 258 3HD1 ILE 30 3HD1 ILE 30 0.059 -12.065 3.632 259 H LYS 31 H LYS 31 -3.901 -11.637 -0.287 260 HA LYS 31 HA LYS 31 -3.407 -13.517 -2.313 261 1HB LYS 31 1HB LYS 31 -5.372 -13.491 -0.828 262 2HB LYS 31 2HB LYS 31 -5.989 -12.047 -1.634 263 1HG LYS 31 1HG LYS 31 -7.134 -14.061 -2.381 264 2HG LYS 31 2HG LYS 31 -6.277 -13.303 -3.732 265 1HD LYS 31 1HD LYS 31 -4.513 -14.980 -3.650 266 2HD LYS 31 2HD LYS 31 -5.077 -15.578 -2.082 267 1HE LYS 31 1HE LYS 31 -5.721 -17.112 -3.894 268 2HE LYS 31 2HE LYS 31 -7.144 -16.436 -3.087 269 1HZ LYS 31 1HZ LYS 31 -7.353 -14.883 -4.891 270 2HZ LYS 31 2HZ LYS 31 -7.373 -16.430 -5.455 271 3HZ LYS 31 3HZ LYS 31 -6.020 -15.507 -5.635 272 H GLU 32 H GLU 32 -4.973 -10.273 -2.712 273 HA GLU 32 HA GLU 32 -5.161 -10.432 -5.515 274 1HB GLU 32 1HB GLU 32 -6.416 -8.890 -3.990 275 2HB GLU 32 2HB GLU 32 -4.944 -7.935 -3.783 276 1HG GLU 32 1HG GLU 32 -6.440 -6.937 -5.459 277 2HG GLU 32 2HG GLU 32 -4.931 -7.446 -6.231 278 H LEU 33 H LEU 33 -2.632 -8.857 -3.477 279 HA LEU 33 HA LEU 33 -1.069 -7.867 -5.643 280 1HB LEU 33 1HB LEU 33 -0.418 -8.546 -2.783 281 2HB LEU 33 2HB LEU 33 0.841 -8.160 -3.918 282 HG LEU 33 HG LEU 33 0.163 -6.097 -4.160 283 1HD1 LEU 33 1HD1 LEU 33 -2.513 -6.441 -2.737 284 2HD1 LEU 33 2HD1 LEU 33 -1.842 -4.916 -3.304 285 3HD1 LEU 33 3HD1 LEU 33 -2.274 -6.161 -4.475 286 1HD2 LEU 33 1HD2 LEU 33 1.263 -6.417 -2.103 287 2HD2 LEU 33 2HD2 LEU 33 -0.252 -6.856 -1.268 288 3HD2 LEU 33 3HD2 LEU 33 0.035 -5.193 -1.763 289 H SER 34 H SER 34 -0.660 -10.978 -3.761 290 HA SER 34 HA SER 34 1.489 -11.902 -5.309 291 1HB SER 34 1HB SER 34 0.966 -14.134 -4.503 292 2HB SER 34 2HB SER 34 0.889 -12.938 -3.201 293 HG SER 34 HG SER 34 -1.398 -12.925 -3.477 294 H LYS 35 H LYS 35 -2.030 -12.342 -5.932 295 HA LYS 35 HA LYS 35 -1.681 -14.023 -8.214 296 1HB LYS 35 1HB LYS 35 -3.879 -12.088 -7.383 297 2HB LYS 35 2HB LYS 35 -4.004 -13.059 -8.836 298 1HG LYS 35 1HG LYS 35 -3.679 -14.146 -6.002 299 2HG LYS 35 2HG LYS 35 -5.185 -14.057 -6.922 300 1HD LYS 35 1HD LYS 35 -2.755 -15.819 -7.495 301 2HD LYS 35 2HD LYS 35 -4.350 -16.323 -6.954 302 1HE LYS 35 1HE LYS 35 -5.320 -15.448 -9.121 303 2HE LYS 35 2HE LYS 35 -3.663 -15.128 -9.679 304 1HZ LYS 35 1HZ LYS 35 -4.447 -17.218 -10.443 305 2HZ LYS 35 2HZ LYS 35 -4.717 -17.750 -8.907 306 3HZ LYS 35 3HZ LYS 35 -3.180 -17.437 -9.414 307 H THR 36 H THR 36 -1.977 -10.447 -7.997 308 HA THR 36 HA THR 36 -1.774 -10.151 -10.892 309 HB THR 36 HB THR 36 -1.586 -7.719 -10.311 310 HG1 THR 36 HG1 THR 36 -2.068 -8.578 -7.648 311 1HG2 THR 36 1HG2 THR 36 -3.865 -9.275 -8.984 312 2HG2 THR 36 2HG2 THR 36 -3.893 -7.552 -9.401 313 3HG2 THR 36 3HG2 THR 36 -3.786 -8.777 -10.682 314 H SER 37 H SER 37 0.365 -9.171 -8.237 315 HA SER 37 HA SER 37 2.757 -9.195 -10.026 316 1HB SER 37 1HB SER 37 2.351 -7.936 -7.284 317 2HB SER 37 2HB SER 37 3.727 -7.719 -8.389 318 HG SER 37 HG SER 37 1.022 -6.962 -8.839 319 H THR 38 H THR 38 3.652 -11.250 -9.927 320 HA THR 38 HA THR 38 3.271 -13.091 -7.812 321 HB THR 38 HB THR 38 5.044 -14.354 -9.079 322 HG1 THR 38 HG1 THR 38 6.164 -12.478 -9.740 323 1HG2 THR 38 1HG2 THR 38 2.851 -13.110 -10.817 324 2HG2 THR 38 2HG2 THR 38 3.723 -14.621 -11.127 325 3HG2 THR 38 3HG2 THR 38 2.641 -14.494 -9.726 326 H TRP 39 H TRP 39 3.850 -11.748 -5.973 327 HA TRP 39 HA TRP 39 6.756 -11.883 -5.260 328 1HB TRP 39 1HB TRP 39 4.537 -9.996 -4.391 329 2HB TRP 39 2HB TRP 39 6.176 -9.967 -3.759 330 HD1 TRP 39 HD1 TRP 39 7.637 -10.148 -6.673 331 HE1 TRP 39 HE1 TRP 39 7.726 -7.989 -8.091 332 HE3 TRP 39 HE3 TRP 39 3.719 -7.610 -4.573 333 HZ2 TRP 39 HZ2 TRP 39 6.335 -5.487 -8.238 334 HZ3 TRP 39 HZ3 TRP 39 3.106 -5.370 -5.396 335 HH2 TRP 39 HH2 TRP 39 4.467 -4.258 -7.157 336 H SER 40 H SER 40 7.208 -12.490 -3.052 337 HA SER 40 HA SER 40 5.391 -14.516 -2.079 338 1HB SER 40 1HB SER 40 7.072 -15.038 -0.484 339 2HB SER 40 2HB SER 40 7.949 -14.593 -1.945 340 HG SER 40 HG SER 40 8.443 -12.623 -1.008 341 HA PRO 41 HA PRO 41 3.086 -12.197 0.944 342 1HB PRO 41 1HB PRO 41 4.118 -14.102 3.053 343 2HB PRO 41 2HB PRO 41 2.452 -13.542 2.804 344 1HG PRO 41 1HG PRO 41 3.120 -15.977 1.886 345 2HG PRO 41 2HG PRO 41 2.205 -14.872 0.822 346 1HD PRO 41 1HD PRO 41 5.181 -15.411 0.805 347 2HD PRO 41 2HD PRO 41 4.030 -15.358 -0.566 348 H LYS 42 H LYS 42 6.416 -13.135 1.932 349 HA LYS 42 HA LYS 42 6.777 -11.044 3.876 350 1HB LYS 42 1HB LYS 42 8.810 -12.587 2.219 351 2HB LYS 42 2HB LYS 42 9.167 -11.588 3.640 352 1HG LYS 42 1HG LYS 42 7.650 -13.047 5.006 353 2HG LYS 42 2HG LYS 42 7.449 -14.120 3.621 354 1HD LYS 42 1HD LYS 42 10.031 -13.486 5.118 355 2HD LYS 42 2HD LYS 42 9.144 -15.012 5.129 356 1HE LYS 42 1HE LYS 42 10.693 -13.792 2.796 357 2HE LYS 42 2HE LYS 42 11.083 -15.253 3.706 358 1HZ LYS 42 1HZ LYS 42 8.746 -14.881 1.971 359 2HZ LYS 42 2HZ LYS 42 9.064 -16.238 2.855 360 3HZ LYS 42 3HZ LYS 42 10.079 -15.787 1.637 361 H THR 43 H THR 43 7.749 -11.403 0.429 362 HA THR 43 HA THR 43 8.947 -8.890 0.047 363 HB THR 43 HB THR 43 7.209 -10.463 -1.889 364 HG1 THR 43 HG1 THR 43 9.970 -10.688 -1.317 365 1HG2 THR 43 1HG2 THR 43 9.511 -8.529 -2.409 366 2HG2 THR 43 2HG2 THR 43 7.801 -8.265 -2.809 367 3HG2 THR 43 3HG2 THR 43 8.712 -9.535 -3.637 368 H ILE 44 H ILE 44 5.505 -9.869 -0.202 369 HA ILE 44 HA ILE 44 4.488 -7.303 -0.916 370 HB ILE 44 HB ILE 44 3.275 -9.798 0.299 371 1HG1 ILE 44 1HG1 ILE 44 2.786 -8.410 -2.367 372 2HG1 ILE 44 2HG1 ILE 44 4.099 -9.565 -2.132 373 1HG2 ILE 44 1HG2 ILE 44 1.049 -8.578 -0.237 374 2HG2 ILE 44 2HG2 ILE 44 2.007 -7.088 -0.158 375 3HG2 ILE 44 3HG2 ILE 44 1.886 -8.139 1.256 376 1HD1 ILE 44 1HD1 ILE 44 1.152 -10.207 -1.825 377 2HD1 ILE 44 2HD1 ILE 44 2.246 -10.711 -3.119 378 3HD1 ILE 44 3HD1 ILE 44 2.493 -11.320 -1.473 379 H GLN 45 H GLN 45 4.530 -8.904 2.320 380 HA GLN 45 HA GLN 45 3.489 -6.872 3.889 381 1HB GLN 45 1HB GLN 45 5.693 -8.882 4.418 382 2HB GLN 45 2HB GLN 45 5.045 -7.845 5.694 383 1HG GLN 45 1HG GLN 45 2.917 -8.817 5.639 384 2HG GLN 45 2HG GLN 45 3.131 -9.488 4.027 385 1HE2 GLN 45 1HE2 GLN 45 2.332 -11.533 5.061 386 2HE2 GLN 45 2HE2 GLN 45 3.505 -12.521 5.914 387 H THR 46 H THR 46 6.867 -7.217 2.782 388 HA THR 46 HA THR 46 8.012 -5.074 4.153 389 HB THR 46 HB THR 46 8.665 -5.910 1.299 390 HG1 THR 46 HG1 THR 46 8.667 -7.706 2.720 391 1HG2 THR 46 1HG2 THR 46 10.361 -4.665 3.504 392 2HG2 THR 46 2HG2 THR 46 10.961 -5.246 1.939 393 3HG2 THR 46 3HG2 THR 46 9.854 -3.864 1.999 394 H MET 47 H MET 47 5.962 -4.953 1.202 395 HA MET 47 HA MET 47 6.529 -2.180 0.624 396 1HB MET 47 1HB MET 47 4.172 -3.887 -0.278 397 2HB MET 47 2HB MET 47 4.656 -2.309 -0.917 398 1HG MET 47 1HG MET 47 6.899 -3.278 -1.494 399 2HG MET 47 2HG MET 47 6.300 -4.865 -0.995 400 1HE MET 47 1HE MET 47 6.885 -6.080 -3.123 401 2HE MET 47 2HE MET 47 7.721 -4.574 -3.574 402 3HE MET 47 3HE MET 47 6.664 -5.389 -4.744 403 H LEU 48 H LEU 48 3.640 -3.840 2.320 404 HA LEU 48 HA LEU 48 2.321 -1.498 2.972 405 1HB LEU 48 1HB LEU 48 2.764 -4.151 4.418 406 2HB LEU 48 2HB LEU 48 1.578 -2.956 4.900 407 HG LEU 48 HG LEU 48 0.746 -4.803 3.669 408 1HD1 LEU 48 1HD1 LEU 48 -0.834 -3.581 2.255 409 2HD1 LEU 48 2HD1 LEU 48 -0.344 -2.480 3.560 410 3HD1 LEU 48 3HD1 LEU 48 0.368 -2.315 1.941 411 1HD2 LEU 48 1HD2 LEU 48 2.038 -4.078 1.096 412 2HD2 LEU 48 2HD2 LEU 48 2.322 -5.495 2.165 413 3HD2 LEU 48 3HD2 LEU 48 0.764 -5.267 1.382 414 H LEU 49 H LEU 49 4.843 -3.280 4.792 415 HA LEU 49 HA LEU 49 5.091 -1.603 7.014 416 1HB LEU 49 1HB LEU 49 6.100 -3.783 6.776 417 2HB LEU 49 2HB LEU 49 7.238 -3.206 5.565 418 HG LEU 49 HG LEU 49 7.179 -1.880 8.290 419 1HD1 LEU 49 1HD1 LEU 49 7.204 -4.291 8.777 420 2HD1 LEU 49 2HD1 LEU 49 8.785 -3.572 9.120 421 3HD1 LEU 49 3HD1 LEU 49 8.549 -4.524 7.637 422 1HD2 LEU 49 1HD2 LEU 49 8.706 -0.920 6.576 423 2HD2 LEU 49 2HD2 LEU 49 9.402 -2.524 6.284 424 3HD2 LEU 49 3HD2 LEU 49 9.638 -1.717 7.844 425 H ARG 50 H ARG 50 6.960 -1.365 3.916 426 HA ARG 50 HA ARG 50 8.399 0.945 4.571 427 1HB ARG 50 1HB ARG 50 7.392 -0.177 1.927 428 2HB ARG 50 2HB ARG 50 8.412 1.258 2.002 429 1HG ARG 50 1HG ARG 50 9.398 -1.113 3.516 430 2HG ARG 50 2HG ARG 50 9.415 -1.215 1.751 431 1HD ARG 50 1HD ARG 50 11.550 -0.293 2.564 432 2HD ARG 50 2HD ARG 50 10.692 0.832 1.534 433 HE ARG 50 HE ARG 50 10.467 2.315 3.253 434 1HH1 ARG 50 1HH1 ARG 50 11.390 -0.800 4.623 435 2HH1 ARG 50 2HH1 ARG 50 11.741 -0.170 6.208 436 1HH2 ARG 50 1HH2 ARG 50 10.873 3.162 5.311 437 2HH2 ARG 50 2HH2 ARG 50 11.431 2.143 6.606 438 H LEU 51 H LEU 51 5.185 0.762 2.805 439 HA LEU 51 HA LEU 51 4.895 3.505 2.481 440 1HB LEU 51 1HB LEU 51 3.084 1.088 2.706 441 2HB LEU 51 2HB LEU 51 2.439 2.602 2.389 442 HG LEU 51 HG LEU 51 4.596 1.439 0.608 443 1HD1 LEU 51 1HD1 LEU 51 1.565 1.392 0.264 444 2HD1 LEU 51 2HD1 LEU 51 2.597 -0.014 0.607 445 3HD1 LEU 51 3HD1 LEU 51 2.762 0.847 -0.932 446 1HD2 LEU 51 1HD2 LEU 51 2.626 3.754 0.281 447 2HD2 LEU 51 2HD2 LEU 51 4.391 3.889 0.378 448 3HD2 LEU 51 3HD2 LEU 51 3.633 3.119 -1.017 449 H ILE 52 H ILE 52 3.757 1.366 5.186 450 HA ILE 52 HA ILE 52 2.483 3.397 6.680 451 HB ILE 52 HB ILE 52 3.894 0.851 7.547 452 1HG1 ILE 52 1HG1 ILE 52 0.917 1.496 7.408 453 2HG1 ILE 52 2HG1 ILE 52 1.779 0.805 6.042 454 1HG2 ILE 52 1HG2 ILE 52 3.838 2.370 9.487 455 2HG2 ILE 52 2HG2 ILE 52 2.636 1.109 9.701 456 3HG2 ILE 52 3HG2 ILE 52 2.125 2.727 9.183 457 1HD1 ILE 52 1HD1 ILE 52 2.493 -1.125 7.473 458 2HD1 ILE 52 2HD1 ILE 52 1.427 -0.510 8.759 459 3HD1 ILE 52 3HD1 ILE 52 0.749 -0.994 7.199 460 H LYS 53 H LYS 53 5.935 2.270 6.870 461 HA LYS 53 HA LYS 53 6.689 4.201 8.829 462 1HB LYS 53 1HB LYS 53 8.331 2.779 6.698 463 2HB LYS 53 2HB LYS 53 9.005 3.846 7.945 464 1HG LYS 53 1HG LYS 53 7.966 2.410 9.722 465 2HG LYS 53 2HG LYS 53 7.359 1.332 8.466 466 1HD LYS 53 1HD LYS 53 9.318 0.327 9.344 467 2HD LYS 53 2HD LYS 53 9.733 0.923 7.729 468 1HE LYS 53 1HE LYS 53 10.873 2.893 8.756 469 2HE LYS 53 2HE LYS 53 10.337 2.372 10.361 470 1HZ LYS 53 1HZ LYS 53 12.149 0.873 8.605 471 2HZ LYS 53 2HZ LYS 53 12.581 1.751 9.930 472 3HZ LYS 53 3HZ LYS 53 11.648 0.406 10.104 473 H LYS 54 H LYS 54 6.469 4.465 5.279 474 HA LYS 54 HA LYS 54 7.534 7.184 5.243 475 1HB LYS 54 1HB LYS 54 6.108 5.497 3.159 476 2HB LYS 54 2HB LYS 54 6.801 7.103 2.864 477 1HG LYS 54 1HG LYS 54 9.028 6.369 3.235 478 2HG LYS 54 2HG LYS 54 8.506 4.875 4.002 479 1HD LYS 54 1HD LYS 54 9.361 4.317 1.875 480 2HD LYS 54 2HD LYS 54 7.626 4.020 1.841 481 1HE LYS 54 1HE LYS 54 8.899 6.579 0.742 482 2HE LYS 54 2HE LYS 54 8.718 5.105 -0.218 483 1HZ LYS 54 1HZ LYS 54 6.384 5.179 0.128 484 2HZ LYS 54 2HZ LYS 54 6.925 6.555 -0.597 485 3HZ LYS 54 3HZ LYS 54 6.500 6.577 0.995 486 H GLY 55 H GLY 55 4.769 6.229 6.716 487 1HA GLY 55 1HA GLY 55 2.951 7.372 7.408 488 2HA GLY 55 2HA GLY 55 3.603 8.831 6.647 489 H ALA 56 H ALA 56 3.121 5.999 4.654 490 HA ALA 56 HA ALA 56 1.272 7.401 2.928 491 1HB ALA 56 1HB ALA 56 3.088 5.783 2.167 492 2HB ALA 56 2HB ALA 56 2.172 4.524 2.997 493 3HB ALA 56 3HB ALA 56 1.466 5.307 1.591 494 H LEU 57 H LEU 57 0.925 5.083 5.532 495 HA LEU 57 HA LEU 57 -1.926 4.494 4.942 496 1HB LEU 57 1HB LEU 57 0.434 2.604 4.988 497 2HB LEU 57 2HB LEU 57 -1.052 2.069 5.756 498 HG LEU 57 HG LEU 57 -2.295 2.095 3.751 499 1HD1 LEU 57 1HD1 LEU 57 -1.106 2.452 1.535 500 2HD1 LEU 57 2HD1 LEU 57 -1.561 3.919 2.377 501 3HD1 LEU 57 3HD1 LEU 57 0.130 3.366 2.397 502 1HD2 LEU 57 1HD2 LEU 57 0.460 0.911 3.200 503 2HD2 LEU 57 2HD2 LEU 57 -1.101 0.319 2.598 504 3HD2 LEU 57 3HD2 LEU 57 -0.710 0.199 4.323 505 H ASN 58 H ASN 58 -3.047 3.807 6.780 506 HA ASN 58 HA ASN 58 -1.698 3.856 9.430 507 1HB ASN 58 1HB ASN 58 -3.063 5.761 9.315 508 2HB ASN 58 2HB ASN 58 -4.367 4.964 8.467 509 1HD2 ASN 58 1HD2 ASN 58 -5.866 3.629 9.592 510 2HD2 ASN 58 2HD2 ASN 58 -5.697 3.259 11.307 511 H HIS 59 H HIS 59 -2.647 2.339 10.954 512 HA HIS 59 HA HIS 59 -3.467 -0.187 9.629 513 1HB HIS 59 1HB HIS 59 -1.392 0.033 11.090 514 2HB HIS 59 2HB HIS 59 -2.504 0.324 12.440 515 HD2 HIS 59 HD2 HIS 59 -1.090 -2.596 10.331 516 HE1 HIS 59 HE1 HIS 59 -3.455 -4.163 13.475 517 HE2 HIS 59 HE2 HIS 59 -1.760 -4.759 11.660 518 H HIS 60 H HIS 60 -5.160 -1.404 10.442 519 HA HIS 60 HA HIS 60 -6.931 -0.444 12.572 520 1HB HIS 60 1HB HIS 60 -7.979 0.619 10.674 521 2HB HIS 60 2HB HIS 60 -7.802 -0.835 9.685 522 HD2 HIS 60 HD2 HIS 60 -10.404 -1.606 9.353 523 HE1 HIS 60 HE1 HIS 60 -11.453 -1.692 13.454 524 HE2 HIS 60 HE2 HIS 60 -12.248 -2.263 11.098 525 H LYS 61 H LYS 61 -8.211 -2.222 13.389 526 HA LYS 61 HA LYS 61 -7.097 -4.917 12.693 527 1HB LYS 61 1HB LYS 61 -6.527 -4.153 14.955 528 2HB LYS 61 2HB LYS 61 -8.239 -3.935 15.324 529 1HG LYS 61 1HG LYS 61 -7.372 -6.006 16.256 530 2HG LYS 61 2HG LYS 61 -8.635 -6.362 15.078 531 1HD LYS 61 1HD LYS 61 -7.020 -7.109 13.437 532 2HD LYS 61 2HD LYS 61 -5.666 -6.417 14.365 533 1HE LYS 61 1HE LYS 61 -6.052 -8.035 16.181 534 2HE LYS 61 2HE LYS 61 -7.444 -8.710 15.317 535 1HZ LYS 61 1HZ LYS 61 -6.001 -9.440 13.604 536 2HZ LYS 61 2HZ LYS 61 -5.437 -9.983 15.044 537 3HZ LYS 61 3HZ LYS 61 -4.688 -8.715 14.305 538 H GLU 62 H GLU 62 -8.584 -5.730 11.187 539 HA GLU 62 HA GLU 62 -11.482 -5.156 11.575 540 1HB GLU 62 1HB GLU 62 -10.507 -4.856 9.380 541 2HB GLU 62 2HB GLU 62 -9.984 -6.551 9.332 542 1HG GLU 62 1HG GLU 62 -12.323 -7.307 9.372 543 2HG GLU 62 2HG GLU 62 -12.844 -5.620 9.487 544 H GLY 63 H GLY 63 -11.290 -6.264 13.612 545 1HA GLY 63 1HA GLY 63 -11.926 -7.972 14.983 546 2HA GLY 63 2HA GLY 63 -12.529 -8.829 13.561 547 H ARG 64 H ARG 64 -10.787 -9.874 12.215 548 HA ARG 64 HA ARG 64 -8.958 -11.461 13.991 549 1HB ARG 64 1HB ARG 64 -10.171 -12.171 11.325 550 2HB ARG 64 2HB ARG 64 -9.081 -13.163 12.313 551 1HG ARG 64 1HG ARG 64 -10.793 -12.990 14.197 552 2HG ARG 64 2HG ARG 64 -11.913 -12.268 13.027 553 1HD ARG 64 1HD ARG 64 -10.579 -14.997 12.818 554 2HD ARG 64 2HD ARG 64 -12.249 -14.706 13.286 555 HE ARG 64 HE ARG 64 -12.871 -14.089 11.134 556 1HH1 ARG 64 1HH1 ARG 64 -9.438 -14.995 11.166 557 2HH1 ARG 64 2HH1 ARG 64 -9.353 -15.208 9.441 558 1HH2 ARG 64 1HH2 ARG 64 -12.745 -14.355 8.902 559 2HH2 ARG 64 2HH2 ARG 64 -11.254 -14.829 8.137 560 H VAL 65 H VAL 65 -9.204 -9.795 10.803 561 HA VAL 65 HA VAL 65 -6.249 -10.097 10.430 562 HB VAL 65 HB VAL 65 -6.786 -9.651 8.028 563 1HG1 VAL 65 1HG1 VAL 65 -8.082 -12.141 9.220 564 2HG1 VAL 65 2HG1 VAL 65 -7.538 -11.939 7.543 565 3HG1 VAL 65 3HG1 VAL 65 -6.354 -11.931 8.863 566 1HG2 VAL 65 1HG2 VAL 65 -9.067 -8.637 8.328 567 2HG2 VAL 65 2HG2 VAL 65 -9.688 -10.226 8.817 568 3HG2 VAL 65 3HG2 VAL 65 -9.052 -9.993 7.187 569 H PHE 66 H PHE 66 -5.124 -8.158 9.664 570 HA PHE 66 HA PHE 66 -6.507 -5.705 10.620 571 1HB PHE 66 1HB PHE 66 -4.249 -4.719 10.550 572 2HB PHE 66 2HB PHE 66 -4.631 -5.844 11.837 573 HD1 PHE 66 HD1 PHE 66 -2.342 -5.206 9.055 574 HD2 PHE 66 HD2 PHE 66 -3.748 -8.178 11.858 575 HE1 PHE 66 HE1 PHE 66 -0.167 -6.395 8.915 576 HE2 PHE 66 HE2 PHE 66 -1.630 -9.433 11.582 577 HZ PHE 66 HZ PHE 66 0.171 -8.530 10.126 578 H VAL 67 H VAL 67 -6.577 -3.904 9.500 579 HA VAL 67 HA VAL 67 -6.531 -4.089 6.568 580 HB VAL 67 HB VAL 67 -8.399 -2.767 8.548 581 1HG1 VAL 67 1HG1 VAL 67 -8.238 -2.154 5.568 582 2HG1 VAL 67 2HG1 VAL 67 -7.989 -0.997 6.895 583 3HG1 VAL 67 3HG1 VAL 67 -9.583 -1.702 6.631 584 1HG2 VAL 67 1HG2 VAL 67 -8.838 -5.110 7.752 585 2HG2 VAL 67 2HG2 VAL 67 -8.967 -4.471 6.098 586 3HG2 VAL 67 3HG2 VAL 67 -10.122 -3.949 7.326 587 H TYR 68 H TYR 68 -5.690 -2.568 5.356 588 HA TYR 68 HA TYR 68 -4.047 -0.473 6.732 589 1HB TYR 68 1HB TYR 68 -4.044 -1.382 3.831 590 2HB TYR 68 2HB TYR 68 -2.922 -0.268 4.605 591 HD1 TYR 68 HD1 TYR 68 -3.599 -3.691 3.765 592 HD2 TYR 68 HD2 TYR 68 -1.590 -1.222 6.672 593 HE1 TYR 68 HE1 TYR 68 -2.311 -5.643 4.544 594 HE2 TYR 68 HE2 TYR 68 -0.313 -3.208 7.467 595 HH TYR 68 HH TYR 68 -1.289 -6.390 6.583 596 H THR 69 H THR 69 -5.028 1.494 6.836 597 HA THR 69 HA THR 69 -7.180 2.209 4.884 598 HB THR 69 HB THR 69 -7.640 3.984 6.433 599 HG1 THR 69 HG1 THR 69 -5.420 3.723 7.388 600 1HG2 THR 69 1HG2 THR 69 -8.722 2.599 8.174 601 2HG2 THR 69 2HG2 THR 69 -8.883 1.819 6.588 602 3HG2 THR 69 3HG2 THR 69 -7.680 1.227 7.758 603 HA PRO 70 HA PRO 70 -3.634 4.406 3.123 604 1HB PRO 70 1HB PRO 70 -5.795 5.753 1.495 605 2HB PRO 70 2HB PRO 70 -4.238 5.066 0.945 606 1HG PRO 70 1HG PRO 70 -6.547 3.674 0.570 607 2HG PRO 70 2HG PRO 70 -5.073 2.844 1.158 608 1HD PRO 70 1HD PRO 70 -7.422 3.844 2.812 609 2HD PRO 70 2HD PRO 70 -6.611 2.263 2.868 610 H ASN 71 H ASN 71 -2.657 6.312 3.753 611 HA ASN 71 HA ASN 71 -4.193 8.351 5.257 612 1HB ASN 71 1HB ASN 71 -1.233 8.160 4.535 613 2HB ASN 71 2HB ASN 71 -1.929 9.340 5.617 614 1HD2 ASN 71 1HD2 ASN 71 0.109 7.876 6.537 615 2HD2 ASN 71 2HD2 ASN 71 -0.425 6.612 7.656 616 H ILE 72 H ILE 72 -2.613 7.784 2.197 617 HA ILE 72 HA ILE 72 -3.182 10.524 1.176 618 HB ILE 72 HB ILE 72 -1.345 9.864 -0.491 619 1HG1 ILE 72 1HG1 ILE 72 -0.523 7.899 1.662 620 2HG1 ILE 72 2HG1 ILE 72 -1.484 7.361 0.290 621 1HG2 ILE 72 1HG2 ILE 72 0.454 10.544 1.051 622 2HG2 ILE 72 2HG2 ILE 72 -0.567 10.166 2.448 623 3HG2 ILE 72 3HG2 ILE 72 -1.009 11.488 1.351 624 1HD1 ILE 72 1HD1 ILE 72 1.303 8.547 0.238 625 2HD1 ILE 72 2HD1 ILE 72 0.325 8.255 -1.230 626 3HD1 ILE 72 3HD1 ILE 72 0.800 6.904 -0.180 627 H ASP 73 H ASP 73 -3.589 10.589 -1.135 628 HA ASP 73 HA ASP 73 -5.219 8.327 -2.206 629 1HB ASP 73 1HB ASP 73 -6.749 10.088 -1.538 630 2HB ASP 73 2HB ASP 73 -5.706 11.335 -2.243 631 H GLU 74 H GLU 74 -5.200 8.336 -4.588 632 HA GLU 74 HA GLU 74 -2.802 8.319 -5.897 633 1HB GLU 74 1HB GLU 74 -5.548 9.130 -6.993 634 2HB GLU 74 2HB GLU 74 -4.140 8.739 -7.995 635 1HG GLU 74 1HG GLU 74 -3.998 6.529 -6.957 636 2HG GLU 74 2HG GLU 74 -5.478 6.824 -6.023 637 H SER 75 H SER 75 -5.045 11.127 -5.938 638 HA SER 75 HA SER 75 -3.522 12.889 -7.387 639 1HB SER 75 1HB SER 75 -5.194 13.757 -4.996 640 2HB SER 75 2HB SER 75 -5.017 14.523 -6.585 641 HG SER 75 HG SER 75 -6.585 12.332 -5.809 642 H ASP 76 H ASP 76 -2.907 11.970 -4.035 643 HA ASP 76 HA ASP 76 -1.252 14.337 -3.495 644 1HB ASP 76 1HB ASP 76 -2.533 13.208 -1.697 645 2HB ASP 76 2HB ASP 76 -1.573 11.737 -1.955 646 H TYR 77 H TYR 77 -0.856 11.197 -5.025 647 HA TYR 77 HA TYR 77 1.990 10.999 -4.445 648 1HB TYR 77 1HB TYR 77 0.736 8.970 -4.619 649 2HB TYR 77 2HB TYR 77 0.136 9.404 -6.218 650 HD1 TYR 77 HD1 TYR 77 1.119 8.358 -8.028 651 HD2 TYR 77 HD2 TYR 77 3.550 9.306 -4.599 652 HE1 TYR 77 HE1 TYR 77 3.123 7.588 -9.225 653 HE2 TYR 77 HE2 TYR 77 5.546 8.548 -5.808 654 HH TYR 77 HH TYR 77 6.183 6.959 -7.498 655 H ILE 78 H ILE 78 2.102 13.319 -5.208 656 HA ILE 78 HA ILE 78 2.533 13.679 -8.104 657 HB ILE 78 HB ILE 78 3.037 15.464 -5.690 658 1HG1 ILE 78 1HG1 ILE 78 0.808 15.443 -7.789 659 2HG1 ILE 78 2HG1 ILE 78 0.661 14.811 -6.148 660 1HG2 ILE 78 1HG2 ILE 78 3.002 16.197 -8.653 661 2HG2 ILE 78 2HG2 ILE 78 4.478 16.050 -7.672 662 3HG2 ILE 78 3HG2 ILE 78 3.297 17.295 -7.288 663 1HD1 ILE 78 1HD1 ILE 78 -0.287 17.015 -6.166 664 2HD1 ILE 78 2HD1 ILE 78 1.253 17.118 -5.281 665 3HD1 ILE 78 3HD1 ILE 78 1.135 17.711 -6.957 666 H GLU 79 H GLU 79 4.141 12.279 -8.705 667 HA GLU 79 HA GLU 79 6.431 11.724 -7.006 668 1HB GLU 79 1HB GLU 79 7.086 10.730 -9.510 669 2HB GLU 79 2HB GLU 79 6.405 9.880 -8.139 670 1HG GLU 79 1HG GLU 79 5.143 9.349 -10.093 671 2HG GLU 79 2HG GLU 79 4.136 10.299 -9.000 672 H VAL 80 H VAL 80 7.603 13.580 -6.668 673 HA VAL 80 HA VAL 80 8.583 15.268 -8.835 674 HB VAL 80 HB VAL 80 9.303 15.069 -5.992 675 1HG1 VAL 80 1HG1 VAL 80 11.240 16.015 -7.165 676 2HG1 VAL 80 2HG1 VAL 80 10.402 17.312 -6.314 677 3HG1 VAL 80 3HG1 VAL 80 10.180 17.124 -8.063 678 1HG2 VAL 80 1HG2 VAL 80 6.989 15.925 -6.461 679 2HG2 VAL 80 2HG2 VAL 80 8.026 17.178 -5.765 680 3HG2 VAL 80 3HG2 VAL 80 7.691 17.168 -7.508 681 H LYS 81 H LYS 81 10.796 15.217 -9.632 682 HA LYS 81 HA LYS 81 11.934 12.562 -9.859 683 1HB LYS 81 1HB LYS 81 11.902 14.285 -11.647 684 2HB LYS 81 2HB LYS 81 13.084 15.243 -10.728 685 1HG LYS 81 1HG LYS 81 14.597 13.171 -10.796 686 2HG LYS 81 2HG LYS 81 13.435 12.446 -11.910 687 1HD LYS 81 1HD LYS 81 15.067 15.002 -12.346 688 2HD LYS 81 2HD LYS 81 15.355 13.418 -13.063 689 1HE LYS 81 1HE LYS 81 14.303 14.518 -14.802 690 2HE LYS 81 2HE LYS 81 12.952 13.637 -14.075 691 1HZ LYS 81 1HZ LYS 81 13.657 16.464 -13.636 692 2HZ LYS 81 2HZ LYS 81 12.415 15.909 -14.563 693 3HZ LYS 81 3HZ LYS 81 12.384 15.697 -12.932 694 H SER 82 H SER 82 12.015 12.342 -7.535 695 HA SER 82 HA SER 82 13.680 11.584 -5.978 696 1HB SER 82 1HB SER 82 14.794 14.419 -6.073 697 2HB SER 82 2HB SER 82 15.327 13.086 -5.043 698 HG SER 82 HG SER 82 15.533 13.324 -7.845 Start of MODEL 10 1 1H MET 1 1H MET 1 4.067 8.541 7.674 2 2H MET 1 2H MET 1 4.714 7.578 8.880 3 3H MET 1 3H MET 1 5.509 7.784 7.436 4 HA MET 1 HA MET 1 5.061 9.769 9.516 5 1HB MET 1 1HB MET 1 7.668 9.084 8.082 6 2HB MET 1 2HB MET 1 7.427 10.036 9.556 7 1HG MET 1 1HG MET 1 7.203 7.043 9.192 8 2HG MET 1 2HG MET 1 8.264 7.944 10.269 9 1HE MET 1 1HE MET 1 6.317 5.327 10.861 10 2HE MET 1 2HE MET 1 5.845 5.736 12.527 11 3HE MET 1 3HE MET 1 7.526 5.977 11.999 12 H LYS 2 H LYS 2 7.273 11.271 7.780 13 HA LYS 2 HA LYS 2 5.491 13.112 6.646 14 1HB LYS 2 1HB LYS 2 7.816 13.551 7.280 15 2HB LYS 2 2HB LYS 2 8.413 12.572 5.936 16 1HG LYS 2 1HG LYS 2 6.527 14.880 5.368 17 2HG LYS 2 2HG LYS 2 8.193 15.234 5.824 18 1HD LYS 2 1HD LYS 2 9.105 13.930 4.014 19 2HD LYS 2 2HD LYS 2 7.509 13.387 3.494 20 1HE LYS 2 1HE LYS 2 8.379 16.310 3.549 21 2HE LYS 2 2HE LYS 2 8.460 15.258 2.126 22 1HZ LYS 2 1HZ LYS 2 5.999 15.932 3.570 23 2HZ LYS 2 2HZ LYS 2 6.481 16.550 2.121 24 3HZ LYS 2 3HZ LYS 2 6.114 14.949 2.247 25 H LYS 3 H LYS 3 4.618 13.377 4.634 26 HA LYS 3 HA LYS 3 4.120 11.039 3.032 27 1HB LYS 3 1HB LYS 3 3.407 13.968 2.698 28 2HB LYS 3 2HB LYS 3 2.783 12.646 1.699 29 1HG LYS 3 1HG LYS 3 1.539 11.701 3.515 30 2HG LYS 3 2HG LYS 3 2.474 12.572 4.719 31 1HD LYS 3 1HD LYS 3 0.499 13.705 4.779 32 2HD LYS 3 2HD LYS 3 1.475 14.752 3.754 33 1HE LYS 3 1HE LYS 3 -0.666 12.752 2.851 34 2HE LYS 3 2HE LYS 3 -0.847 14.504 2.952 35 1HZ LYS 3 1HZ LYS 3 0.881 14.720 1.298 36 2HZ LYS 3 2HZ LYS 3 -0.426 13.884 0.740 37 3HZ LYS 3 3HZ LYS 3 0.952 13.080 1.137 38 H ILE 4 H ILE 4 6.040 10.332 2.019 39 HA ILE 4 HA ILE 4 6.700 11.785 -0.418 40 HB ILE 4 HB ILE 4 8.158 12.966 1.057 41 1HG1 ILE 4 1HG1 ILE 4 10.284 12.713 0.015 42 2HG1 ILE 4 2HG1 ILE 4 9.927 11.085 -0.550 43 1HG2 ILE 4 1HG2 ILE 4 8.407 11.245 2.867 44 2HG2 ILE 4 2HG2 ILE 4 9.566 10.385 1.843 45 3HG2 ILE 4 3HG2 ILE 4 9.914 12.028 2.379 46 1HD1 ILE 4 1HD1 ILE 4 8.399 13.581 -1.414 47 2HD1 ILE 4 2HD1 ILE 4 9.738 12.842 -2.316 48 3HD1 ILE 4 3HD1 ILE 4 8.232 11.942 -2.097 49 HA PRO 5 HA PRO 5 6.728 7.157 -0.421 50 1HB PRO 5 1HB PRO 5 4.875 7.234 -2.663 51 2HB PRO 5 2HB PRO 5 4.619 6.548 -1.037 52 1HG PRO 5 1HG PRO 5 3.271 8.803 -1.901 53 2HG PRO 5 2HG PRO 5 3.672 8.451 -0.194 54 1HD PRO 5 1HD PRO 5 5.166 10.177 -2.158 55 2HD PRO 5 2HD PRO 5 4.696 10.538 -0.471 56 H GLN 6 H GLN 6 7.541 5.667 -2.027 57 HA GLN 6 HA GLN 6 9.069 6.920 -4.264 58 1HB GLN 6 1HB GLN 6 9.462 4.364 -2.641 59 2HB GLN 6 2HB GLN 6 10.275 4.647 -4.184 60 1HG GLN 6 1HG GLN 6 11.720 5.181 -2.267 61 2HG GLN 6 2HG GLN 6 11.453 6.572 -3.316 62 1HE2 GLN 6 1HE2 GLN 6 10.839 8.476 -2.251 63 2HE2 GLN 6 2HE2 GLN 6 9.946 8.499 -0.727 64 H ILE 7 H ILE 7 8.901 5.861 -6.340 65 HA ILE 7 HA ILE 7 6.462 4.165 -6.614 66 HB ILE 7 HB ILE 7 7.385 6.222 -8.638 67 1HG1 ILE 7 1HG1 ILE 7 6.724 7.436 -6.571 68 2HG1 ILE 7 2HG1 ILE 7 5.626 7.710 -7.916 69 1HG2 ILE 7 1HG2 ILE 7 4.956 5.897 -9.398 70 2HG2 ILE 7 2HG2 ILE 7 6.012 4.505 -9.647 71 3HG2 ILE 7 3HG2 ILE 7 4.875 4.515 -8.292 72 1HD1 ILE 7 1HD1 ILE 7 5.057 5.651 -5.737 73 2HD1 ILE 7 2HD1 ILE 7 4.475 7.316 -5.711 74 3HD1 ILE 7 3HD1 ILE 7 3.986 6.228 -7.026 75 H SER 8 H SER 8 6.408 2.673 -8.185 76 HA SER 8 HA SER 8 8.316 1.990 -10.084 77 1HB SER 8 1HB SER 8 9.776 1.372 -8.172 78 2HB SER 8 2HB SER 8 8.479 0.374 -7.487 79 HG SER 8 HG SER 8 10.095 -0.749 -8.817 80 H ASP 9 H ASP 9 7.713 -0.551 -10.481 81 HA ASP 9 HA ASP 9 4.990 -0.497 -11.340 82 1HB ASP 9 1HB ASP 9 6.536 -1.922 -12.478 83 2HB ASP 9 2HB ASP 9 6.920 -2.827 -11.005 84 H ALA 10 H ALA 10 6.326 -2.760 -8.886 85 HA ALA 10 HA ALA 10 3.906 -3.586 -7.809 86 1HB ALA 10 1HB ALA 10 5.205 -4.218 -5.803 87 2HB ALA 10 2HB ALA 10 6.572 -3.243 -6.389 88 3HB ALA 10 3HB ALA 10 6.034 -4.670 -7.306 89 H GLU 11 H GLU 11 5.966 -0.899 -6.655 90 HA GLU 11 HA GLU 11 4.439 -0.050 -4.488 91 1HB GLU 11 1HB GLU 11 6.153 1.569 -6.403 92 2HB GLU 11 2HB GLU 11 5.462 2.244 -4.929 93 1HG GLU 11 1HG GLU 11 6.565 0.427 -3.593 94 2HG GLU 11 2HG GLU 11 7.349 -0.170 -5.064 95 H LEU 12 H LEU 12 3.874 0.778 -7.983 96 HA LEU 12 HA LEU 12 1.684 2.492 -7.097 97 1HB LEU 12 1HB LEU 12 2.995 3.124 -9.027 98 2HB LEU 12 2HB LEU 12 2.426 1.697 -9.908 99 HG LEU 12 HG LEU 12 0.134 2.502 -9.897 100 1HD1 LEU 12 1HD1 LEU 12 -0.452 4.734 -8.906 101 2HD1 LEU 12 2HD1 LEU 12 -0.048 3.573 -7.641 102 3HD1 LEU 12 3HD1 LEU 12 1.156 4.767 -8.160 103 1HD2 LEU 12 1HD2 LEU 12 2.035 4.818 -10.482 104 2HD2 LEU 12 2HD2 LEU 12 0.405 4.603 -11.151 105 3HD2 LEU 12 3HD2 LEU 12 1.699 3.462 -11.583 106 H GLU 13 H GLU 13 2.043 -0.692 -8.693 107 HA GLU 13 HA GLU 13 -0.626 -1.272 -9.279 108 1HB GLU 13 1HB GLU 13 1.664 -3.051 -8.351 109 2HB GLU 13 2HB GLU 13 0.110 -3.704 -8.873 110 1HG GLU 13 1HG GLU 13 1.817 -1.911 -10.663 111 2HG GLU 13 2HG GLU 13 1.849 -3.677 -10.697 112 H VAL 14 H VAL 14 1.111 -2.046 -6.187 113 HA VAL 14 HA VAL 14 -1.206 -3.233 -5.022 114 HB VAL 14 HB VAL 14 -0.129 -3.108 -2.930 115 1HG1 VAL 14 1HG1 VAL 14 1.953 -3.642 -5.099 116 2HG1 VAL 14 2HG1 VAL 14 1.982 -4.254 -3.436 117 3HG1 VAL 14 3HG1 VAL 14 0.702 -4.747 -4.558 118 1HG2 VAL 14 1HG2 VAL 14 2.031 -2.006 -2.504 119 2HG2 VAL 14 2HG2 VAL 14 0.688 -0.889 -2.697 120 3HG2 VAL 14 3HG2 VAL 14 1.855 -1.107 -4.026 121 H MET 15 H MET 15 -0.044 0.186 -4.961 122 HA MET 15 HA MET 15 -1.935 1.221 -3.192 123 1HB MET 15 1HB MET 15 -0.636 2.512 -5.551 124 2HB MET 15 2HB MET 15 -1.593 3.318 -4.297 125 1HG MET 15 1HG MET 15 0.742 1.529 -3.584 126 2HG MET 15 2HG MET 15 0.852 3.189 -4.048 127 1HE MET 15 1HE MET 15 -1.914 4.382 -2.296 128 2HE MET 15 2HE MET 15 -0.801 5.067 -1.094 129 3HE MET 15 3HE MET 15 -0.364 5.097 -2.821 130 H LYS 16 H LYS 16 -2.071 0.938 -6.787 131 HA LYS 16 HA LYS 16 -4.695 1.987 -7.176 132 1HB LYS 16 1HB LYS 16 -2.954 1.536 -8.929 133 2HB LYS 16 2HB LYS 16 -3.272 -0.199 -8.765 134 1HG LYS 16 1HG LYS 16 -5.641 0.187 -9.448 135 2HG LYS 16 2HG LYS 16 -5.303 1.925 -9.593 136 1HD LYS 16 1HD LYS 16 -3.577 1.440 -11.320 137 2HD LYS 16 2HD LYS 16 -3.908 -0.297 -11.166 138 1HE LYS 16 1HE LYS 16 -6.260 0.091 -11.892 139 2HE LYS 16 2HE LYS 16 -5.922 1.826 -12.053 140 1HZ LYS 16 1HZ LYS 16 -4.606 -0.321 -13.564 141 2HZ LYS 16 2HZ LYS 16 -4.294 1.290 -13.714 142 3HZ LYS 16 3HZ LYS 16 -5.771 0.694 -14.137 143 H VAL 17 H VAL 17 -3.613 -1.409 -6.560 144 HA VAL 17 HA VAL 17 -6.238 -2.507 -6.631 145 HB VAL 17 HB VAL 17 -3.702 -3.432 -5.235 146 1HG1 VAL 17 1HG1 VAL 17 -5.469 -4.445 -3.971 147 2HG1 VAL 17 2HG1 VAL 17 -6.437 -4.737 -5.442 148 3HG1 VAL 17 3HG1 VAL 17 -4.942 -5.645 -5.166 149 1HG2 VAL 17 1HG2 VAL 17 -5.191 -4.462 -7.693 150 2HG2 VAL 17 2HG2 VAL 17 -3.753 -3.431 -7.766 151 3HG2 VAL 17 3HG2 VAL 17 -3.640 -5.052 -7.065 152 H ILE 18 H ILE 18 -4.404 -1.091 -3.837 153 HA ILE 18 HA ILE 18 -6.488 -1.564 -1.938 154 HB ILE 18 HB ILE 18 -4.394 0.651 -2.019 155 1HG1 ILE 18 1HG1 ILE 18 -4.462 -2.144 -0.805 156 2HG1 ILE 18 2HG1 ILE 18 -3.312 -1.465 -1.915 157 1HG2 ILE 18 1HG2 ILE 18 -6.231 -0.199 0.251 158 2HG2 ILE 18 2HG2 ILE 18 -4.894 0.964 0.384 159 3HG2 ILE 18 3HG2 ILE 18 -6.281 1.343 -0.611 160 1HD1 ILE 18 1HD1 ILE 18 -2.568 0.153 -0.178 161 2HD1 ILE 18 2HD1 ILE 18 -3.559 -0.748 1.005 162 3HD1 ILE 18 3HD1 ILE 18 -2.224 -1.554 0.169 163 H TRP 19 H TRP 19 -5.828 1.337 -3.990 164 HA TRP 19 HA TRP 19 -7.965 2.916 -3.213 165 1HB TRP 19 1HB TRP 19 -6.024 2.650 -5.489 166 2HB TRP 19 2HB TRP 19 -7.383 3.610 -5.818 167 HD1 TRP 19 HD1 TRP 19 -7.548 5.134 -2.939 168 HE1 TRP 19 HE1 TRP 19 -5.750 6.868 -2.298 169 HE3 TRP 19 HE3 TRP 19 -3.868 3.852 -6.285 170 HZ2 TRP 19 HZ2 TRP 19 -3.069 7.471 -2.978 171 HZ3 TRP 19 HZ3 TRP 19 -1.696 5.025 -6.236 172 HH2 TRP 19 HH2 TRP 19 -1.265 6.786 -4.540 173 H LYS 20 H LYS 20 -7.923 0.217 -5.535 174 HA LYS 20 HA LYS 20 -10.433 0.770 -6.709 175 1HB LYS 20 1HB LYS 20 -8.841 -0.892 -7.577 176 2HB LYS 20 2HB LYS 20 -9.082 -1.898 -6.145 177 1HG LYS 20 1HG LYS 20 -10.280 -2.798 -8.040 178 2HG LYS 20 2HG LYS 20 -11.391 -2.340 -6.746 179 1HD LYS 20 1HD LYS 20 -11.998 -0.266 -7.974 180 2HD LYS 20 2HD LYS 20 -10.778 -0.628 -9.210 181 1HE LYS 20 1HE LYS 20 -13.002 -1.227 -10.015 182 2HE LYS 20 2HE LYS 20 -12.034 -2.698 -9.818 183 1HZ LYS 20 1HZ LYS 20 -13.150 -3.073 -7.739 184 2HZ LYS 20 2HZ LYS 20 -14.256 -2.920 -8.950 185 3HZ LYS 20 3HZ LYS 20 -14.012 -1.678 -7.893 186 H HIS 21 H HIS 21 -9.630 -0.526 -3.517 187 HA HIS 21 HA HIS 21 -12.462 -1.269 -2.950 188 1HB HIS 21 1HB HIS 21 -9.831 -1.841 -1.518 189 2HB HIS 21 2HB HIS 21 -11.424 -2.293 -0.917 190 HD2 HIS 21 HD2 HIS 21 -8.717 -3.750 -3.133 191 HE1 HIS 21 HE1 HIS 21 -12.226 -6.022 -3.787 192 HE2 HIS 21 HE2 HIS 21 -9.711 -5.969 -4.161 193 H SER 22 H SER 22 -13.081 -0.555 -0.525 194 HA SER 22 HA SER 22 -12.926 2.345 -0.452 195 1HB SER 22 1HB SER 22 -14.010 1.806 1.858 196 2HB SER 22 2HB SER 22 -14.898 1.322 0.397 197 HG SER 22 HG SER 22 -14.760 -0.410 1.911 198 H SER 23 H SER 23 -11.786 -0.274 1.654 199 HA SER 23 HA SER 23 -9.116 0.931 1.681 200 1HB SER 23 1HB SER 23 -10.641 0.226 4.242 201 2HB SER 23 2HB SER 23 -8.896 0.483 4.192 202 HG SER 23 HG SER 23 -10.331 2.462 2.928 203 H ILE 24 H ILE 24 -7.968 -1.252 3.239 204 HA ILE 24 HA ILE 24 -9.403 -3.661 2.642 205 HB ILE 24 HB ILE 24 -8.348 -3.229 0.467 206 1HG1 ILE 24 1HG1 ILE 24 -7.063 -5.665 1.735 207 2HG1 ILE 24 2HG1 ILE 24 -8.803 -5.548 1.425 208 1HG2 ILE 24 1HG2 ILE 24 -5.673 -3.706 1.840 209 2HG2 ILE 24 2HG2 ILE 24 -6.010 -3.273 0.145 210 3HG2 ILE 24 3HG2 ILE 24 -6.280 -2.093 1.433 211 1HD1 ILE 24 1HD1 ILE 24 -6.657 -5.286 -0.721 212 2HD1 ILE 24 2HD1 ILE 24 -8.413 -5.189 -0.959 213 3HD1 ILE 24 3HD1 ILE 24 -7.673 -6.703 -0.421 214 H ASN 25 H ASN 25 -8.434 -5.530 3.838 215 HA ASN 25 HA ASN 25 -6.685 -4.557 6.058 216 1HB ASN 25 1HB ASN 25 -7.480 -6.174 7.485 217 2HB ASN 25 2HB ASN 25 -8.908 -5.466 6.734 218 1HD2 ASN 25 1HD2 ASN 25 -10.164 -7.316 7.335 219 2HD2 ASN 25 2HD2 ASN 25 -10.034 -8.784 6.341 220 H THR 26 H THR 26 -4.898 -5.974 6.752 221 HA THR 26 HA THR 26 -3.323 -6.655 4.684 222 HB THR 26 HB THR 26 -2.949 -8.275 7.180 223 HG1 THR 26 HG1 THR 26 -2.603 -5.478 7.211 224 1HG2 THR 26 1HG2 THR 26 -1.189 -6.398 5.508 225 2HG2 THR 26 2HG2 THR 26 -0.653 -7.258 6.959 226 3HG2 THR 26 3HG2 THR 26 -1.144 -8.161 5.513 227 H ASN 27 H ASN 27 -5.465 -9.118 6.249 228 HA ASN 27 HA ASN 27 -4.257 -11.322 4.855 229 1HB ASN 27 1HB ASN 27 -5.782 -11.559 6.786 230 2HB ASN 27 2HB ASN 27 -7.157 -11.027 5.801 231 1HD2 ASN 27 1HD2 ASN 27 -7.721 -12.523 3.897 232 2HD2 ASN 27 2HD2 ASN 27 -7.284 -14.215 4.057 233 H GLU 28 H GLU 28 -7.178 -9.341 4.076 234 HA GLU 28 HA GLU 28 -7.657 -10.407 1.526 235 1HB GLU 28 1HB GLU 28 -8.248 -7.799 2.967 236 2HB GLU 28 2HB GLU 28 -8.742 -8.045 1.299 237 1HG GLU 28 1HG GLU 28 -10.517 -8.586 2.937 238 2HG GLU 28 2HG GLU 28 -10.110 -9.896 1.815 239 H VAL 29 H VAL 29 -5.464 -7.713 2.524 240 HA VAL 29 HA VAL 29 -4.910 -6.961 -0.159 241 HB VAL 29 HB VAL 29 -4.393 -5.743 2.169 242 1HG1 VAL 29 1HG1 VAL 29 -2.350 -7.155 2.763 243 2HG1 VAL 29 2HG1 VAL 29 -1.590 -6.567 1.286 244 3HG1 VAL 29 3HG1 VAL 29 -2.053 -5.437 2.571 245 1HG2 VAL 29 1HG2 VAL 29 -3.200 -4.081 0.930 246 2HG2 VAL 29 2HG2 VAL 29 -2.710 -5.256 -0.303 247 3HG2 VAL 29 3HG2 VAL 29 -4.407 -4.786 -0.158 248 H ILE 30 H ILE 30 -2.945 -9.046 2.094 249 HA ILE 30 HA ILE 30 -1.026 -9.763 0.185 250 HB ILE 30 HB ILE 30 -2.125 -11.399 2.519 251 1HG1 ILE 30 1HG1 ILE 30 0.078 -9.332 2.175 252 2HG1 ILE 30 2HG1 ILE 30 -1.219 -9.337 3.342 253 1HG2 ILE 30 1HG2 ILE 30 0.492 -11.705 0.961 254 2HG2 ILE 30 2HG2 ILE 30 -0.893 -12.811 0.826 255 3HG2 ILE 30 3HG2 ILE 30 -0.030 -12.688 2.346 256 1HD1 ILE 30 1HD1 ILE 30 -0.169 -11.367 4.427 257 2HD1 ILE 30 2HD1 ILE 30 0.749 -9.855 4.538 258 3HD1 ILE 30 3HD1 ILE 30 1.249 -11.085 3.376 259 H LYS 31 H LYS 31 -4.208 -11.348 0.850 260 HA LYS 31 HA LYS 31 -3.904 -13.372 -1.065 261 1HB LYS 31 1HB LYS 31 -5.660 -13.221 0.701 262 2HB LYS 31 2HB LYS 31 -6.464 -11.949 -0.219 263 1HG LYS 31 1HG LYS 31 -7.583 -14.042 -0.543 264 2HG LYS 31 2HG LYS 31 -6.860 -13.559 -2.081 265 1HD LYS 31 1HD LYS 31 -5.014 -15.142 -1.783 266 2HD LYS 31 2HD LYS 31 -5.540 -15.523 -0.136 267 1HE LYS 31 1HE LYS 31 -7.126 -16.112 -2.684 268 2HE LYS 31 2HE LYS 31 -6.136 -17.277 -1.794 269 1HZ LYS 31 1HZ LYS 31 -8.406 -17.481 -1.200 270 2HZ LYS 31 2HZ LYS 31 -8.506 -15.904 -0.743 271 3HZ LYS 31 3HZ LYS 31 -7.552 -16.949 0.103 272 H GLU 32 H GLU 32 -5.588 -10.222 -1.496 273 HA GLU 32 HA GLU 32 -6.272 -10.456 -4.203 274 1HB GLU 32 1HB GLU 32 -7.101 -8.766 -2.550 275 2HB GLU 32 2HB GLU 32 -5.539 -7.947 -2.667 276 1HG GLU 32 1HG GLU 32 -6.947 -6.758 -4.075 277 2HG GLU 32 2HG GLU 32 -6.037 -7.744 -5.222 278 H LEU 33 H LEU 33 -3.254 -8.938 -2.760 279 HA LEU 33 HA LEU 33 -2.140 -8.157 -5.208 280 1HB LEU 33 1HB LEU 33 -1.280 -8.577 -2.333 281 2HB LEU 33 2HB LEU 33 -0.139 -8.333 -3.592 282 HG LEU 33 HG LEU 33 -0.939 -6.206 -4.228 283 1HD1 LEU 33 1HD1 LEU 33 -3.218 -6.469 -2.242 284 2HD1 LEU 33 2HD1 LEU 33 -3.353 -6.544 -4.008 285 3HD1 LEU 33 3HD1 LEU 33 -2.815 -5.054 -3.226 286 1HD2 LEU 33 1HD2 LEU 33 -0.781 -6.553 -1.206 287 2HD2 LEU 33 2HD2 LEU 33 0.521 -6.069 -2.324 288 3HD2 LEU 33 3HD2 LEU 33 -0.815 -4.966 -1.977 289 H SER 34 H SER 34 -1.667 -11.123 -3.139 290 HA SER 34 HA SER 34 0.234 -12.342 -4.821 291 1HB SER 34 1HB SER 34 -1.907 -13.689 -3.122 292 2HB SER 34 2HB SER 34 -0.472 -14.471 -3.813 293 HG SER 34 HG SER 34 -0.528 -12.365 -1.914 294 H LYS 35 H LYS 35 -3.366 -12.448 -5.010 295 HA LYS 35 HA LYS 35 -3.500 -14.345 -7.149 296 1HB LYS 35 1HB LYS 35 -5.349 -12.093 -6.257 297 2HB LYS 35 2HB LYS 35 -5.735 -13.187 -7.587 298 1HG LYS 35 1HG LYS 35 -5.776 -15.110 -6.156 299 2HG LYS 35 2HG LYS 35 -5.040 -14.229 -4.819 300 1HD LYS 35 1HD LYS 35 -7.478 -14.529 -4.480 301 2HD LYS 35 2HD LYS 35 -6.991 -12.831 -4.518 302 1HE LYS 35 1HE LYS 35 -9.103 -13.232 -5.740 303 2HE LYS 35 2HE LYS 35 -7.853 -12.569 -6.792 304 1HZ LYS 35 1HZ LYS 35 -9.025 -14.377 -7.812 305 2HZ LYS 35 2HZ LYS 35 -7.445 -14.787 -7.596 306 3HZ LYS 35 3HZ LYS 35 -8.602 -15.408 -6.598 307 H THR 36 H THR 36 -3.465 -10.749 -7.171 308 HA THR 36 HA THR 36 -3.655 -10.611 -10.050 309 HB THR 36 HB THR 36 -3.086 -8.177 -9.650 310 HG1 THR 36 HG1 THR 36 -3.385 -8.918 -6.920 311 1HG2 THR 36 1HG2 THR 36 -5.414 -9.012 -9.758 312 2HG2 THR 36 2HG2 THR 36 -5.369 -9.429 -8.035 313 3HG2 THR 36 3HG2 THR 36 -5.262 -7.732 -8.538 314 H SER 37 H SER 37 -0.864 -10.421 -7.819 315 HA SER 37 HA SER 37 0.909 -11.256 -10.006 316 1HB SER 37 1HB SER 37 1.284 -8.673 -8.455 317 2HB SER 37 2HB SER 37 2.551 -9.455 -9.428 318 HG SER 37 HG SER 37 0.173 -9.203 -10.774 319 H THR 38 H THR 38 1.908 -13.022 -9.157 320 HA THR 38 HA THR 38 1.727 -13.674 -6.402 321 HB THR 38 HB THR 38 3.093 -15.645 -7.167 322 HG1 THR 38 HG1 THR 38 4.267 -14.525 -8.738 323 1HG2 THR 38 1HG2 THR 38 1.401 -16.535 -8.707 324 2HG2 THR 38 2HG2 THR 38 0.624 -15.670 -7.368 325 3HG2 THR 38 3HG2 THR 38 0.731 -14.915 -8.971 326 H TRP 39 H TRP 39 2.840 -11.550 -5.685 327 HA TRP 39 HA TRP 39 5.780 -11.835 -5.418 328 1HB TRP 39 1HB TRP 39 3.795 -9.731 -4.486 329 2HB TRP 39 2HB TRP 39 5.543 -9.628 -4.346 330 HD1 TRP 39 HD1 TRP 39 6.471 -10.270 -7.228 331 HE1 TRP 39 HE1 TRP 39 5.995 -8.627 -9.170 332 HE3 TRP 39 HE3 TRP 39 2.454 -7.769 -5.254 333 HZ2 TRP 39 HZ2 TRP 39 4.153 -6.531 -9.767 334 HZ3 TRP 39 HZ3 TRP 39 1.344 -5.981 -6.554 335 HH2 TRP 39 HH2 TRP 39 2.173 -5.374 -8.817 336 H SER 40 H SER 40 6.409 -13.190 -3.726 337 HA SER 40 HA SER 40 4.868 -14.400 -1.926 338 1HB SER 40 1HB SER 40 7.694 -13.463 -1.304 339 2HB SER 40 2HB SER 40 6.925 -15.000 -0.849 340 HG SER 40 HG SER 40 8.287 -15.197 -2.717 341 HA PRO 41 HA PRO 41 3.179 -11.711 1.184 342 1HB PRO 41 1HB PRO 41 4.608 -13.615 3.077 343 2HB PRO 41 2HB PRO 41 2.992 -12.886 3.292 344 1HG PRO 41 1HG PRO 41 3.094 -15.290 2.333 345 2HG PRO 41 2HG PRO 41 2.079 -14.101 1.471 346 1HD PRO 41 1HD PRO 41 4.801 -15.117 0.654 347 2HD PRO 41 2HD PRO 41 3.369 -14.721 -0.348 348 H LYS 42 H LYS 42 6.595 -12.592 1.971 349 HA LYS 42 HA LYS 42 7.214 -10.391 3.604 350 1HB LYS 42 1HB LYS 42 8.974 -11.901 1.621 351 2HB LYS 42 2HB LYS 42 9.563 -10.772 2.853 352 1HG LYS 42 1HG LYS 42 8.555 -12.168 4.634 353 2HG LYS 42 2HG LYS 42 8.025 -13.351 3.422 354 1HD LYS 42 1HD LYS 42 10.405 -13.645 2.699 355 2HD LYS 42 2HD LYS 42 10.919 -12.539 3.980 356 1HE LYS 42 1HE LYS 42 9.452 -15.194 4.393 357 2HE LYS 42 2HE LYS 42 11.186 -14.922 4.623 358 1HZ LYS 42 1HZ LYS 42 10.029 -14.827 6.681 359 2HZ LYS 42 2HZ LYS 42 10.651 -13.341 6.336 360 3HZ LYS 42 3HZ LYS 42 9.039 -13.626 6.146 361 H THR 43 H THR 43 7.243 -10.649 0.038 362 HA THR 43 HA THR 43 8.398 -8.151 -0.595 363 HB THR 43 HB THR 43 6.172 -9.436 -2.207 364 HG1 THR 43 HG1 THR 43 7.184 -11.200 -1.823 365 1HG2 THR 43 1HG2 THR 43 7.214 -7.472 -3.195 366 2HG2 THR 43 2HG2 THR 43 7.674 -8.921 -4.110 367 3HG2 THR 43 3HG2 THR 43 8.834 -8.192 -2.989 368 H ILE 44 H ILE 44 5.019 -9.226 -0.101 369 HA ILE 44 HA ILE 44 3.740 -6.761 -0.702 370 HB ILE 44 HB ILE 44 2.754 -8.887 1.248 371 1HG1 ILE 44 1HG1 ILE 44 3.258 -10.092 -0.764 372 2HG1 ILE 44 2HG1 ILE 44 1.522 -9.849 -0.653 373 1HG2 ILE 44 1HG2 ILE 44 1.457 -6.610 -0.251 374 2HG2 ILE 44 2HG2 ILE 44 1.428 -6.978 1.478 375 3HG2 ILE 44 3HG2 ILE 44 0.521 -7.990 0.348 376 1HD1 ILE 44 1HD1 ILE 44 1.773 -7.894 -2.250 377 2HD1 ILE 44 2HD1 ILE 44 3.468 -8.373 -2.469 378 3HD1 ILE 44 3HD1 ILE 44 2.155 -9.484 -2.920 379 H GLN 45 H GLN 45 4.670 -8.210 2.444 380 HA GLN 45 HA GLN 45 3.911 -6.009 4.045 381 1HB GLN 45 1HB GLN 45 6.012 -8.151 4.470 382 2HB GLN 45 2HB GLN 45 5.507 -6.988 5.704 383 1HG GLN 45 1HG GLN 45 3.652 -8.976 4.288 384 2HG GLN 45 2HG GLN 45 4.285 -9.116 5.926 385 1HE2 GLN 45 1HE2 GLN 45 3.823 -7.022 7.352 386 2HE2 GLN 45 2HE2 GLN 45 2.175 -6.431 7.204 387 H THR 46 H THR 46 7.034 -6.634 2.381 388 HA THR 46 HA THR 46 8.352 -4.355 3.467 389 HB THR 46 HB THR 46 8.855 -5.649 0.758 390 HG1 THR 46 HG1 THR 46 8.923 -7.167 2.464 391 1HG2 THR 46 1HG2 THR 46 10.690 -4.130 2.671 392 2HG2 THR 46 2HG2 THR 46 10.052 -3.477 1.151 393 3HG2 THR 46 3HG2 THR 46 11.159 -4.862 1.124 394 H MET 47 H MET 47 6.487 -4.746 0.387 395 HA MET 47 HA MET 47 6.812 -2.115 -0.595 396 1HB MET 47 1HB MET 47 4.575 -4.101 -0.951 397 2HB MET 47 2HB MET 47 4.655 -2.540 -1.788 398 1HG MET 47 1HG MET 47 6.869 -4.629 -1.891 399 2HG MET 47 2HG MET 47 5.589 -4.419 -3.079 400 1HE MET 47 1HE MET 47 8.975 -3.333 -4.795 401 2HE MET 47 2HE MET 47 7.729 -4.601 -4.700 402 3HE MET 47 3HE MET 47 8.919 -4.425 -3.392 403 H LEU 48 H LEU 48 4.200 -3.492 1.450 404 HA LEU 48 HA LEU 48 2.743 -1.096 1.875 405 1HB LEU 48 1HB LEU 48 3.163 -3.504 3.688 406 2HB LEU 48 2HB LEU 48 1.973 -2.240 3.997 407 HG LEU 48 HG LEU 48 1.959 -3.943 1.468 408 1HD1 LEU 48 1HD1 LEU 48 1.687 -5.334 3.506 409 2HD1 LEU 48 2HD1 LEU 48 0.362 -4.280 4.045 410 3HD1 LEU 48 3HD1 LEU 48 0.200 -5.242 2.560 411 1HD2 LEU 48 1HD2 LEU 48 -0.150 -2.145 2.738 412 2HD2 LEU 48 2HD2 LEU 48 -0.397 -3.203 1.333 413 3HD2 LEU 48 3HD2 LEU 48 0.717 -1.836 1.215 414 H LEU 49 H LEU 49 5.407 -2.537 3.833 415 HA LEU 49 HA LEU 49 5.472 -0.610 5.826 416 1HB LEU 49 1HB LEU 49 6.658 -2.729 5.905 417 2HB LEU 49 2HB LEU 49 7.783 -2.214 4.654 418 HG LEU 49 HG LEU 49 8.631 -2.238 6.986 419 1HD1 LEU 49 1HD1 LEU 49 10.009 -0.327 6.835 420 2HD1 LEU 49 2HD1 LEU 49 9.709 -0.874 5.178 421 3HD1 LEU 49 3HD1 LEU 49 8.870 0.556 5.821 422 1HD2 LEU 49 1HD2 LEU 49 6.947 0.258 7.430 423 2HD2 LEU 49 2HD2 LEU 49 8.084 -0.494 8.561 424 3HD2 LEU 49 3HD2 LEU 49 6.599 -1.351 8.105 425 H ARG 50 H ARG 50 7.337 -0.595 2.711 426 HA ARG 50 HA ARG 50 8.719 1.826 3.104 427 1HB ARG 50 1HB ARG 50 7.553 0.741 0.506 428 2HB ARG 50 2HB ARG 50 8.648 2.122 0.654 429 1HG ARG 50 1HG ARG 50 10.247 0.476 1.897 430 2HG ARG 50 2HG ARG 50 9.228 -0.795 1.201 431 1HD ARG 50 1HD ARG 50 9.599 0.410 -1.083 432 2HD ARG 50 2HD ARG 50 10.797 1.375 -0.231 433 HE ARG 50 HE ARG 50 12.265 -0.397 -0.183 434 1HH1 ARG 50 1HH1 ARG 50 9.074 -1.578 -1.136 435 2HH1 ARG 50 2HH1 ARG 50 9.641 -3.125 -1.681 436 1HH2 ARG 50 1HH2 ARG 50 13.028 -2.439 -0.844 437 2HH2 ARG 50 2HH2 ARG 50 11.938 -3.640 -1.479 438 H LEU 51 H LEU 51 5.513 1.543 1.301 439 HA LEU 51 HA LEU 51 4.924 4.173 1.068 440 1HB LEU 51 1HB LEU 51 3.532 1.498 1.310 441 2HB LEU 51 2HB LEU 51 2.576 2.873 1.152 442 HG LEU 51 HG LEU 51 3.368 3.443 -0.918 443 1HD1 LEU 51 1HD1 LEU 51 5.768 3.315 -0.793 444 2HD1 LEU 51 2HD1 LEU 51 5.694 1.533 -0.811 445 3HD1 LEU 51 3HD1 LEU 51 5.171 2.477 -2.213 446 1HD2 LEU 51 1HD2 LEU 51 3.436 0.396 -1.005 447 2HD2 LEU 51 2HD2 LEU 51 2.889 1.483 -2.293 448 3HD2 LEU 51 3HD2 LEU 51 1.948 1.328 -0.795 449 H ILE 52 H ILE 52 3.875 2.024 3.807 450 HA ILE 52 HA ILE 52 2.452 4.013 5.221 451 HB ILE 52 HB ILE 52 3.958 1.541 6.133 452 1HG1 ILE 52 1HG1 ILE 52 0.961 2.005 5.951 453 2HG1 ILE 52 2HG1 ILE 52 1.887 1.415 4.575 454 1HG2 ILE 52 1HG2 ILE 52 3.800 3.015 8.091 455 2HG2 ILE 52 2HG2 ILE 52 2.079 3.303 7.761 456 3HG2 ILE 52 3HG2 ILE 52 2.658 1.694 8.253 457 1HD1 ILE 52 1HD1 ILE 52 0.984 -0.492 5.636 458 2HD1 ILE 52 2HD1 ILE 52 2.716 -0.498 5.996 459 3HD1 ILE 52 3HD1 ILE 52 1.550 0.001 7.241 460 H LYS 53 H LYS 53 5.873 2.983 5.654 461 HA LYS 53 HA LYS 53 6.585 4.807 7.669 462 1HB LYS 53 1HB LYS 53 7.901 2.847 6.850 463 2HB LYS 53 2HB LYS 53 8.330 3.790 5.409 464 1HG LYS 53 1HG LYS 53 9.415 5.487 6.875 465 2HG LYS 53 2HG LYS 53 8.886 4.597 8.306 466 1HD LYS 53 1HD LYS 53 11.224 4.119 7.879 467 2HD LYS 53 2HD LYS 53 10.252 2.653 7.684 468 1HE LYS 53 1HE LYS 53 10.360 2.863 5.229 469 2HE LYS 53 2HE LYS 53 11.197 4.422 5.379 470 1HZ LYS 53 1HZ LYS 53 13.003 3.265 6.426 471 2HZ LYS 53 2HZ LYS 53 12.693 2.627 4.939 472 3HZ LYS 53 3HZ LYS 53 12.212 1.824 6.295 473 H LYS 54 H LYS 54 6.698 5.190 4.072 474 HA LYS 54 HA LYS 54 7.534 7.946 4.229 475 1HB LYS 54 1HB LYS 54 6.657 6.070 2.009 476 2HB LYS 54 2HB LYS 54 7.368 7.655 1.769 477 1HG LYS 54 1HG LYS 54 8.862 5.547 3.391 478 2HG LYS 54 2HG LYS 54 8.895 5.566 1.640 479 1HD LYS 54 1HD LYS 54 9.768 7.857 1.628 480 2HD LYS 54 2HD LYS 54 9.696 7.938 3.398 481 1HE LYS 54 1HE LYS 54 11.365 6.146 3.575 482 2HE LYS 54 2HE LYS 54 11.348 5.911 1.816 483 1HZ LYS 54 1HZ LYS 54 12.181 8.120 1.558 484 2HZ LYS 54 2HZ LYS 54 12.205 8.357 3.190 485 3HZ LYS 54 3HZ LYS 54 13.195 7.230 2.504 486 H GLY 55 H GLY 55 4.687 6.984 5.258 487 1HA GLY 55 1HA GLY 55 2.779 8.161 5.639 488 2HA GLY 55 2HA GLY 55 3.506 9.555 4.832 489 H ALA 56 H ALA 56 3.106 6.491 3.151 490 HA ALA 56 HA ALA 56 1.449 7.735 1.134 491 1HB ALA 56 1HB ALA 56 3.170 6.001 0.618 492 2HB ALA 56 2HB ALA 56 1.556 5.570 0.005 493 3HB ALA 56 3HB ALA 56 2.159 4.844 1.493 494 H LEU 57 H LEU 57 1.042 5.191 3.622 495 HA LEU 57 HA LEU 57 -1.941 5.304 3.370 496 1HB LEU 57 1HB LEU 57 -0.221 2.873 3.922 497 2HB LEU 57 2HB LEU 57 -1.981 2.920 3.798 498 HG LEU 57 HG LEU 57 -0.005 3.437 1.514 499 1HD1 LEU 57 1HD1 LEU 57 -1.873 1.107 2.051 500 2HD1 LEU 57 2HD1 LEU 57 -0.734 1.283 0.695 501 3HD1 LEU 57 3HD1 LEU 57 -0.118 1.092 2.350 502 1HD2 LEU 57 1HD2 LEU 57 -2.112 3.159 0.098 503 2HD2 LEU 57 2HD2 LEU 57 -3.050 3.294 1.583 504 3HD2 LEU 57 3HD2 LEU 57 -2.033 4.659 1.020 505 H ASN 58 H ASN 58 -2.979 5.561 5.265 506 HA ASN 58 HA ASN 58 -1.458 5.493 7.851 507 1HB ASN 58 1HB ASN 58 -2.730 7.525 7.617 508 2HB ASN 58 2HB ASN 58 -4.144 6.672 6.992 509 1HD2 ASN 58 1HD2 ASN 58 -5.551 5.532 8.467 510 2HD2 ASN 58 2HD2 ASN 58 -5.345 5.706 10.208 511 H HIS 59 H HIS 59 -2.476 3.963 9.523 512 HA HIS 59 HA HIS 59 -4.424 2.112 8.348 513 1HB HIS 59 1HB HIS 59 -3.160 0.118 9.053 514 2HB HIS 59 2HB HIS 59 -2.354 1.031 7.778 515 HD2 HIS 59 HD2 HIS 59 0.143 1.877 8.301 516 HE1 HIS 59 HE1 HIS 59 0.239 0.814 12.400 517 HE2 HIS 59 HE2 HIS 59 1.638 1.710 10.467 518 H HIS 60 H HIS 60 -5.408 0.668 9.781 519 HA HIS 60 HA HIS 60 -5.489 1.540 12.634 520 1HB HIS 60 1HB HIS 60 -7.441 2.547 11.598 521 2HB HIS 60 2HB HIS 60 -7.835 1.034 10.764 522 HD2 HIS 60 HD2 HIS 60 -10.063 0.141 12.008 523 HE1 HIS 60 HE1 HIS 60 -8.622 0.424 15.978 524 HE2 HIS 60 HE2 HIS 60 -10.548 -0.404 14.530 525 H LYS 61 H LYS 61 -6.025 -0.219 14.069 526 HA LYS 61 HA LYS 61 -5.084 -2.823 12.988 527 1HB LYS 61 1HB LYS 61 -5.573 -1.981 15.862 528 2HB LYS 61 2HB LYS 61 -4.802 -3.470 15.301 529 1HG LYS 61 1HG LYS 61 -3.728 -0.625 15.033 530 2HG LYS 61 2HG LYS 61 -3.092 -1.940 16.028 531 1HD LYS 61 1HD LYS 61 -2.676 -3.245 13.876 532 2HD LYS 61 2HD LYS 61 -3.100 -1.756 12.987 533 1HE LYS 61 1HE LYS 61 -1.276 -0.546 14.138 534 2HE LYS 61 2HE LYS 61 -0.807 -2.051 14.959 535 1HZ LYS 61 1HZ LYS 61 -0.837 -1.595 12.056 536 2HZ LYS 61 2HZ LYS 61 0.499 -1.688 13.015 537 3HZ LYS 61 3HZ LYS 61 -0.443 -3.019 12.784 538 H GLU 62 H GLU 62 -6.338 -4.526 12.659 539 HA GLU 62 HA GLU 62 -9.120 -4.633 13.739 540 1HB GLU 62 1HB GLU 62 -9.182 -3.876 11.438 541 2HB GLU 62 2HB GLU 62 -8.117 -5.185 10.920 542 1HG GLU 62 1HG GLU 62 -9.922 -6.798 11.491 543 2HG GLU 62 2HG GLU 62 -10.948 -5.463 12.034 544 H GLY 63 H GLY 63 -7.918 -5.790 15.400 545 1HA GLY 63 1HA GLY 63 -7.210 -7.664 16.479 546 2HA GLY 63 2HA GLY 63 -8.273 -8.541 15.373 547 H ARG 64 H ARG 64 -7.354 -9.794 13.788 548 HA ARG 64 HA ARG 64 -4.603 -10.610 14.062 549 1HB ARG 64 1HB ARG 64 -6.403 -12.138 13.517 550 2HB ARG 64 2HB ARG 64 -6.682 -11.295 11.982 551 1HG ARG 64 1HG ARG 64 -4.491 -11.975 11.140 552 2HG ARG 64 2HG ARG 64 -4.010 -12.566 12.737 553 1HD ARG 64 1HD ARG 64 -4.572 -14.446 11.325 554 2HD ARG 64 2HD ARG 64 -5.790 -14.191 12.567 555 HE ARG 64 HE ARG 64 -7.391 -13.696 10.975 556 1HH1 ARG 64 1HH1 ARG 64 -4.216 -13.658 9.359 557 2HH1 ARG 64 2HH1 ARG 64 -4.921 -13.863 7.762 558 1HH2 ARG 64 1HH2 ARG 64 -8.240 -13.942 8.847 559 2HH2 ARG 64 2HH2 ARG 64 -7.132 -14.045 7.492 560 H VAL 65 H VAL 65 -6.283 -8.297 11.986 561 HA VAL 65 HA VAL 65 -3.877 -8.017 10.218 562 HB VAL 65 HB VAL 65 -5.546 -7.543 8.408 563 1HG1 VAL 65 1HG1 VAL 65 -5.761 -10.313 9.667 564 2HG1 VAL 65 2HG1 VAL 65 -4.514 -9.762 8.524 565 3HG1 VAL 65 3HG1 VAL 65 -6.221 -9.861 8.026 566 1HG2 VAL 65 1HG2 VAL 65 -7.872 -8.311 8.674 567 2HG2 VAL 65 2HG2 VAL 65 -7.529 -7.006 9.813 568 3HG2 VAL 65 3HG2 VAL 65 -7.607 -8.692 10.365 569 H PHE 66 H PHE 66 -4.006 -5.828 9.029 570 HA PHE 66 HA PHE 66 -5.356 -3.793 10.689 571 1HB PHE 66 1HB PHE 66 -3.507 -2.275 10.515 572 2HB PHE 66 2HB PHE 66 -3.215 -3.675 11.527 573 HD1 PHE 66 HD1 PHE 66 -1.948 -5.745 10.282 574 HD2 PHE 66 HD2 PHE 66 -1.559 -1.527 9.504 575 HE1 PHE 66 HE1 PHE 66 0.409 -6.076 9.667 576 HE2 PHE 66 HE2 PHE 66 0.846 -1.840 9.035 577 HZ PHE 66 HZ PHE 66 1.836 -4.122 9.075 578 H VAL 67 H VAL 67 -6.269 -2.163 9.649 579 HA VAL 67 HA VAL 67 -6.925 -2.629 6.825 580 HB VAL 67 HB VAL 67 -8.089 -0.795 8.943 581 1HG1 VAL 67 1HG1 VAL 67 -8.444 0.203 6.723 582 2HG1 VAL 67 2HG1 VAL 67 -9.957 -0.494 7.309 583 3HG1 VAL 67 3HG1 VAL 67 -9.005 -1.360 6.085 584 1HG2 VAL 67 1HG2 VAL 67 -8.519 -3.239 9.297 585 2HG2 VAL 67 2HG2 VAL 67 -9.991 -2.335 8.911 586 3HG2 VAL 67 3HG2 VAL 67 -9.209 -3.329 7.666 587 H TYR 68 H TYR 68 -6.081 -1.378 5.211 588 HA TYR 68 HA TYR 68 -4.340 0.920 5.975 589 1HB TYR 68 1HB TYR 68 -4.683 -0.449 3.290 590 2HB TYR 68 2HB TYR 68 -3.474 0.757 3.731 591 HD1 TYR 68 HD1 TYR 68 -1.818 0.169 5.636 592 HD2 TYR 68 HD2 TYR 68 -4.280 -2.756 3.647 593 HE1 TYR 68 HE1 TYR 68 -0.680 -1.640 6.882 594 HE2 TYR 68 HE2 TYR 68 -3.099 -4.550 4.844 595 HH TYR 68 HH TYR 68 -0.856 -3.895 7.521 596 H THR 69 H THR 69 -5.180 2.878 5.893 597 HA THR 69 HA THR 69 -7.461 3.582 4.110 598 HB THR 69 HB THR 69 -7.546 5.573 5.650 599 HG1 THR 69 HG1 THR 69 -5.250 4.804 6.387 600 1HG2 THR 69 1HG2 THR 69 -8.603 4.353 7.510 601 2HG2 THR 69 2HG2 THR 69 -7.826 2.842 6.999 602 3HG2 THR 69 3HG2 THR 69 -9.050 3.609 5.962 603 HA PRO 70 HA PRO 70 -3.988 5.271 1.706 604 1HB PRO 70 1HB PRO 70 -6.345 6.698 0.436 605 2HB PRO 70 2HB PRO 70 -4.896 6.025 -0.370 606 1HG PRO 70 1HG PRO 70 -7.200 4.575 -0.352 607 2HG PRO 70 2HG PRO 70 -5.647 3.774 0.033 608 1HD PRO 70 1HD PRO 70 -7.776 4.758 1.944 609 2HD PRO 70 2HD PRO 70 -6.855 3.224 1.956 610 H ASN 71 H ASN 71 -2.685 6.982 2.342 611 HA ASN 71 HA ASN 71 -3.843 9.072 4.063 612 1HB ASN 71 1HB ASN 71 -1.587 7.678 4.309 613 2HB ASN 71 2HB ASN 71 -0.979 8.954 3.279 614 1HD2 ASN 71 1HD2 ASN 71 -2.462 11.231 4.221 615 2HD2 ASN 71 2HD2 ASN 71 -1.892 11.521 5.859 616 H ILE 72 H ILE 72 -2.276 8.621 0.962 617 HA ILE 72 HA ILE 72 -2.502 11.513 0.278 618 HB ILE 72 HB ILE 72 -0.588 11.356 -0.947 619 1HG1 ILE 72 1HG1 ILE 72 -0.993 9.542 -2.439 620 2HG1 ILE 72 2HG1 ILE 72 0.582 9.310 -1.662 621 1HG2 ILE 72 1HG2 ILE 72 -0.011 11.065 1.422 622 2HG2 ILE 72 2HG2 ILE 72 0.003 9.316 1.194 623 3HG2 ILE 72 3HG2 ILE 72 1.182 10.321 0.346 624 1HD1 ILE 72 1HD1 ILE 72 -0.098 7.502 -0.409 625 2HD1 ILE 72 2HD1 ILE 72 -1.829 7.751 -0.694 626 3HD1 ILE 72 3HD1 ILE 72 -0.773 7.257 -2.010 627 H ASP 73 H ASP 73 -3.014 11.971 -2.045 628 HA ASP 73 HA ASP 73 -4.996 10.017 -3.128 629 1HB ASP 73 1HB ASP 73 -5.759 12.326 -2.863 630 2HB ASP 73 2HB ASP 73 -4.412 12.920 -3.853 631 H GLU 74 H GLU 74 -4.884 9.573 -5.445 632 HA GLU 74 HA GLU 74 -2.487 8.555 -6.402 633 1HB GLU 74 1HB GLU 74 -4.776 9.708 -8.069 634 2HB GLU 74 2HB GLU 74 -3.545 8.548 -8.603 635 1HG GLU 74 1HG GLU 74 -4.348 7.031 -6.706 636 2HG GLU 74 2HG GLU 74 -5.758 8.087 -6.547 637 H SER 75 H SER 75 -3.847 11.810 -6.979 638 HA SER 75 HA SER 75 -1.807 12.739 -8.741 639 1HB SER 75 1HB SER 75 -2.588 15.009 -8.077 640 2HB SER 75 2HB SER 75 -3.899 13.929 -8.581 641 HG SER 75 HG SER 75 -4.486 13.667 -6.445 642 H ASP 76 H ASP 76 -1.824 12.435 -5.217 643 HA ASP 76 HA ASP 76 0.503 14.196 -4.829 644 1HB ASP 76 1HB ASP 76 -0.823 12.224 -2.942 645 2HB ASP 76 2HB ASP 76 0.342 13.475 -2.508 646 H TYR 77 H TYR 77 -0.276 10.774 -5.253 647 HA TYR 77 HA TYR 77 2.175 9.728 -4.196 648 1HB TYR 77 1HB TYR 77 -0.083 8.649 -4.330 649 2HB TYR 77 2HB TYR 77 0.175 8.401 -6.050 650 HD1 TYR 77 HD1 TYR 77 1.270 6.407 -6.752 651 HD2 TYR 77 HD2 TYR 77 1.560 7.629 -2.655 652 HE1 TYR 77 HE1 TYR 77 2.500 4.316 -6.201 653 HE2 TYR 77 HE2 TYR 77 2.788 5.554 -2.106 654 HH TYR 77 HH TYR 77 3.135 2.924 -4.369 655 H ILE 78 H ILE 78 3.146 11.618 -5.833 656 HA ILE 78 HA ILE 78 4.476 10.115 -8.027 657 HB ILE 78 HB ILE 78 3.850 13.101 -7.998 658 1HG1 ILE 78 1HG1 ILE 78 2.329 10.761 -9.179 659 2HG1 ILE 78 2HG1 ILE 78 1.727 12.034 -8.124 660 1HG2 ILE 78 1HG2 ILE 78 4.783 11.240 -10.231 661 2HG2 ILE 78 2HG2 ILE 78 4.601 13.008 -10.321 662 3HG2 ILE 78 3HG2 ILE 78 5.853 12.308 -9.298 663 1HD1 ILE 78 1HD1 ILE 78 0.883 12.478 -10.307 664 2HD1 ILE 78 2HD1 ILE 78 2.096 13.718 -9.930 665 3HD1 ILE 78 3HD1 ILE 78 2.491 12.379 -11.041 666 H GLU 79 H GLU 79 6.634 9.860 -7.437 667 HA GLU 79 HA GLU 79 7.602 11.277 -5.095 668 1HB GLU 79 1HB GLU 79 8.280 8.973 -5.600 669 2HB GLU 79 2HB GLU 79 9.163 9.540 -7.036 670 1HG GLU 79 1HG GLU 79 10.601 10.962 -5.601 671 2HG GLU 79 2HG GLU 79 9.626 10.542 -4.182 672 H VAL 80 H VAL 80 7.653 13.494 -5.520 673 HA VAL 80 HA VAL 80 8.824 14.598 -7.910 674 HB VAL 80 HB VAL 80 8.699 16.739 -6.713 675 1HG1 VAL 80 1HG1 VAL 80 6.723 15.821 -7.896 676 2HG1 VAL 80 2HG1 VAL 80 6.165 15.077 -6.383 677 3HG1 VAL 80 3HG1 VAL 80 6.271 16.842 -6.520 678 1HG2 VAL 80 1HG2 VAL 80 7.694 16.917 -4.483 679 2HG2 VAL 80 2HG2 VAL 80 7.682 15.156 -4.307 680 3HG2 VAL 80 3HG2 VAL 80 9.222 16.036 -4.400 681 H LYS 81 H LYS 81 10.887 15.569 -8.177 682 HA LYS 81 HA LYS 81 12.952 15.132 -6.122 683 1HB LYS 81 1HB LYS 81 12.973 14.020 -8.965 684 2HB LYS 81 2HB LYS 81 14.430 14.172 -8.005 685 1HG LYS 81 1HG LYS 81 12.009 12.449 -7.341 686 2HG LYS 81 2HG LYS 81 13.539 11.885 -7.996 687 1HD LYS 81 1HD LYS 81 13.115 13.064 -5.201 688 2HD LYS 81 2HD LYS 81 13.353 11.384 -5.639 689 1HE LYS 81 1HE LYS 81 15.454 11.964 -4.894 690 2HE LYS 81 2HE LYS 81 15.644 12.122 -6.646 691 1HZ LYS 81 1HZ LYS 81 15.399 14.497 -6.363 692 2HZ LYS 81 2HZ LYS 81 16.584 13.948 -5.383 693 3HZ LYS 81 3HZ LYS 81 15.112 14.321 -4.752 694 H SER 82 H SER 82 14.970 16.261 -6.746 695 HA SER 82 HA SER 82 15.256 18.148 -8.761 696 1HB SER 82 1HB SER 82 14.439 19.158 -5.988 697 2HB SER 82 2HB SER 82 15.313 20.129 -7.181 698 HG SER 82 HG SER 82 12.922 18.891 -7.977 Start of MODEL 11 1 1H MET 1 1H MET 1 10.644 19.376 1.176 2 2H MET 1 2H MET 1 9.068 19.893 1.021 3 3H MET 1 3H MET 1 10.137 20.996 1.092 4 HA MET 1 HA MET 1 10.699 19.955 3.415 5 1HB MET 1 1HB MET 1 9.893 22.255 2.998 6 2HB MET 1 2HB MET 1 8.227 21.655 2.921 7 1HG MET 1 1HG MET 1 8.345 20.929 5.263 8 2HG MET 1 2HG MET 1 10.064 21.334 5.326 9 1HE MET 1 1HE MET 1 6.447 22.688 4.950 10 2HE MET 1 2HE MET 1 6.662 24.443 5.145 11 3HE MET 1 3HE MET 1 7.218 23.648 3.658 12 H LYS 2 H LYS 2 7.424 19.480 1.887 13 HA LYS 2 HA LYS 2 6.380 17.973 4.044 14 1HB LYS 2 1HB LYS 2 4.705 17.161 2.495 15 2HB LYS 2 2HB LYS 2 4.973 18.896 2.284 16 1HG LYS 2 1HG LYS 2 6.314 18.471 0.257 17 2HG LYS 2 2HG LYS 2 6.165 16.724 0.490 18 1HD LYS 2 1HD LYS 2 3.725 16.852 0.232 19 2HD LYS 2 2HD LYS 2 3.822 18.618 0.054 20 1HE LYS 2 1HE LYS 2 5.184 18.358 -1.993 21 2HE LYS 2 2HE LYS 2 5.208 16.607 -1.778 22 1HZ LYS 2 1HZ LYS 2 2.786 18.202 -2.237 23 2HZ LYS 2 2HZ LYS 2 3.584 17.315 -3.368 24 3HZ LYS 2 3HZ LYS 2 2.859 16.557 -2.101 25 H LYS 3 H LYS 3 6.257 15.758 4.495 26 HA LYS 3 HA LYS 3 8.554 14.172 3.655 27 1HB LYS 3 1HB LYS 3 6.183 13.568 5.463 28 2HB LYS 3 2HB LYS 3 7.575 12.517 5.277 29 1HG LYS 3 1HG LYS 3 7.568 15.349 6.410 30 2HG LYS 3 2HG LYS 3 7.716 13.854 7.322 31 1HD LYS 3 1HD LYS 3 9.792 14.982 5.371 32 2HD LYS 3 2HD LYS 3 9.835 15.004 7.125 33 1HE LYS 3 1HE LYS 3 11.240 13.234 6.662 34 2HE LYS 3 2HE LYS 3 9.721 12.408 7.032 35 1HZ LYS 3 1HZ LYS 3 10.810 11.540 5.093 36 2HZ LYS 3 2HZ LYS 3 10.787 13.009 4.352 37 3HZ LYS 3 3HZ LYS 3 9.378 12.212 4.647 38 H ILE 4 H ILE 4 7.646 14.489 1.339 39 HA ILE 4 HA ILE 4 5.473 12.902 0.468 40 HB ILE 4 HB ILE 4 6.470 14.722 -0.831 41 1HG1 ILE 4 1HG1 ILE 4 6.654 13.512 -3.070 42 2HG1 ILE 4 2HG1 ILE 4 6.350 12.010 -2.192 43 1HG2 ILE 4 1HG2 ILE 4 8.516 14.577 -2.036 44 2HG2 ILE 4 2HG2 ILE 4 8.801 12.907 -1.531 45 3HG2 ILE 4 3HG2 ILE 4 8.896 14.229 -0.346 46 1HD1 ILE 4 1HD1 ILE 4 4.542 14.469 -2.338 47 2HD1 ILE 4 2HD1 ILE 4 4.174 13.044 -1.355 48 3HD1 ILE 4 3HD1 ILE 4 4.260 12.905 -3.112 49 HA PRO 5 HA PRO 5 7.621 9.040 1.219 50 1HB PRO 5 1HB PRO 5 5.729 7.211 0.403 51 2HB PRO 5 2HB PRO 5 5.643 8.159 1.907 52 1HG PRO 5 1HG PRO 5 4.206 8.734 -0.671 53 2HG PRO 5 2HG PRO 5 3.581 8.779 0.993 54 1HD PRO 5 1HD PRO 5 4.428 10.995 -0.387 55 2HD PRO 5 2HD PRO 5 4.566 10.860 1.395 56 H GLN 6 H GLN 6 9.336 8.603 -0.040 57 HA GLN 6 HA GLN 6 9.170 8.692 -2.981 58 1HB GLN 6 1HB GLN 6 11.725 8.106 -2.631 59 2HB GLN 6 2HB GLN 6 11.077 9.730 -2.470 60 1HG GLN 6 1HG GLN 6 12.708 9.182 -0.707 61 2HG GLN 6 2HG GLN 6 11.139 9.685 -0.093 62 1HE2 GLN 6 1HE2 GLN 6 13.247 6.827 -0.629 63 2HE2 GLN 6 2HE2 GLN 6 12.458 5.839 0.584 64 H ILE 7 H ILE 7 7.613 6.968 -2.890 65 HA ILE 7 HA ILE 7 8.454 4.281 -2.215 66 HB ILE 7 HB ILE 7 6.003 5.631 -3.349 67 1HG1 ILE 7 1HG1 ILE 7 6.548 3.906 -0.896 68 2HG1 ILE 7 2HG1 ILE 7 6.544 5.674 -0.948 69 1HG2 ILE 7 1HG2 ILE 7 6.388 2.673 -3.061 70 2HG2 ILE 7 2HG2 ILE 7 6.130 3.496 -4.619 71 3HG2 ILE 7 3HG2 ILE 7 4.840 3.427 -3.450 72 1HD1 ILE 7 1HD1 ILE 7 4.200 3.803 -1.424 73 2HD1 ILE 7 2HD1 ILE 7 4.370 5.037 -0.169 74 3HD1 ILE 7 3HD1 ILE 7 4.176 5.534 -1.860 75 H SER 8 H SER 8 8.819 2.507 -3.482 76 HA SER 8 HA SER 8 10.002 3.034 -6.135 77 1HB SER 8 1HB SER 8 10.871 0.751 -5.921 78 2HB SER 8 2HB SER 8 11.248 1.699 -4.476 79 HG SER 8 HG SER 8 9.531 0.671 -3.415 80 H ASP 9 H ASP 9 9.552 1.407 -7.910 81 HA ASP 9 HA ASP 9 6.905 1.487 -8.726 82 1HB ASP 9 1HB ASP 9 8.718 1.142 -10.264 83 2HB ASP 9 2HB ASP 9 9.090 -0.447 -9.566 84 H ALA 10 H ALA 10 8.572 -1.429 -7.387 85 HA ALA 10 HA ALA 10 6.414 -3.178 -7.562 86 1HB ALA 10 1HB ALA 10 7.531 -4.491 -5.800 87 2HB ALA 10 2HB ALA 10 8.559 -3.100 -5.391 88 3HB ALA 10 3HB ALA 10 8.704 -3.882 -6.983 89 H GLU 11 H GLU 11 7.244 -0.992 -4.888 90 HA GLU 11 HA GLU 11 5.071 -1.652 -3.134 91 1HB GLU 11 1HB GLU 11 6.852 0.728 -3.581 92 2HB GLU 11 2HB GLU 11 5.629 0.722 -2.286 93 1HG GLU 11 1HG GLU 11 6.746 -1.211 -1.254 94 2HG GLU 11 2HG GLU 11 7.884 -1.331 -2.605 95 H LEU 12 H LEU 12 5.517 0.919 -5.622 96 HA LEU 12 HA LEU 12 3.138 2.273 -5.313 97 1HB LEU 12 1HB LEU 12 4.972 3.033 -6.744 98 2HB LEU 12 2HB LEU 12 4.651 1.733 -7.895 99 HG LEU 12 HG LEU 12 2.446 2.677 -8.431 100 1HD1 LEU 12 1HD1 LEU 12 3.284 4.861 -6.476 101 2HD1 LEU 12 2HD1 LEU 12 1.960 5.028 -7.647 102 3HD1 LEU 12 3HD1 LEU 12 1.863 3.812 -6.361 103 1HD2 LEU 12 1HD2 LEU 12 4.761 4.642 -8.643 104 2HD2 LEU 12 2HD2 LEU 12 4.431 3.290 -9.744 105 3HD2 LEU 12 3HD2 LEU 12 3.294 4.646 -9.644 106 H GLU 13 H GLU 13 3.747 -0.765 -7.204 107 HA GLU 13 HA GLU 13 1.194 -0.987 -8.403 108 1HB GLU 13 1HB GLU 13 2.938 -3.212 -7.264 109 2HB GLU 13 2HB GLU 13 1.600 -3.434 -8.392 110 1HG GLU 13 1HG GLU 13 4.229 -2.014 -8.980 111 2HG GLU 13 2HG GLU 13 3.668 -3.546 -9.634 112 H VAL 14 H VAL 14 2.220 -1.885 -5.067 113 HA VAL 14 HA VAL 14 -0.346 -3.124 -4.535 114 HB VAL 14 HB VAL 14 0.375 -3.782 -2.582 115 1HG1 VAL 14 1HG1 VAL 14 3.118 -2.955 -3.559 116 2HG1 VAL 14 2HG1 VAL 14 2.691 -4.324 -2.520 117 3HG1 VAL 14 3HG1 VAL 14 2.186 -4.309 -4.220 118 1HG2 VAL 14 1HG2 VAL 14 0.306 -1.800 -1.278 119 2HG2 VAL 14 2HG2 VAL 14 1.808 -1.180 -2.003 120 3HG2 VAL 14 3HG2 VAL 14 1.839 -2.614 -0.981 121 H MET 15 H MET 15 1.085 0.114 -3.990 122 HA MET 15 HA MET 15 -1.091 1.286 -2.650 123 1HB MET 15 1HB MET 15 0.373 2.685 -4.916 124 2HB MET 15 2HB MET 15 -0.526 3.382 -3.571 125 1HG MET 15 1HG MET 15 1.149 2.560 -2.000 126 2HG MET 15 2HG MET 15 2.086 1.886 -3.338 127 1HE MET 15 1HE MET 15 0.308 5.082 -2.070 128 2HE MET 15 2HE MET 15 1.756 4.857 -1.066 129 3HE MET 15 3HE MET 15 1.643 6.260 -2.165 130 H LYS 16 H LYS 16 -0.576 0.999 -6.207 131 HA LYS 16 HA LYS 16 -3.002 2.139 -7.093 132 1HB LYS 16 1HB LYS 16 -0.967 1.386 -8.491 133 2HB LYS 16 2HB LYS 16 -1.591 -0.249 -8.342 134 1HG LYS 16 1HG LYS 16 -2.317 0.588 -10.442 135 2HG LYS 16 2HG LYS 16 -3.724 0.448 -9.384 136 1HD LYS 16 1HD LYS 16 -3.807 2.438 -10.779 137 2HD LYS 16 2HD LYS 16 -3.831 2.873 -9.080 138 1HE LYS 16 1HE LYS 16 -1.198 2.834 -10.623 139 2HE LYS 16 2HE LYS 16 -2.327 4.186 -10.807 140 1HZ LYS 16 1HZ LYS 16 -2.257 4.593 -8.516 141 2HZ LYS 16 2HZ LYS 16 -1.235 3.329 -8.232 142 3HZ LYS 16 3HZ LYS 16 -0.724 4.619 -9.121 143 H VAL 17 H VAL 17 -2.440 -1.337 -6.110 144 HA VAL 17 HA VAL 17 -5.140 -2.093 -6.680 145 HB VAL 17 HB VAL 17 -2.936 -3.159 -4.882 146 1HG1 VAL 17 1HG1 VAL 17 -5.763 -4.197 -5.148 147 2HG1 VAL 17 2HG1 VAL 17 -4.905 -3.705 -3.666 148 3HG1 VAL 17 3HG1 VAL 17 -4.388 -5.155 -4.534 149 1HG2 VAL 17 1HG2 VAL 17 -2.730 -3.484 -7.334 150 2HG2 VAL 17 2HG2 VAL 17 -2.991 -5.021 -6.493 151 3HG2 VAL 17 3HG2 VAL 17 -4.332 -4.255 -7.362 152 H ILE 18 H ILE 18 -3.577 -0.963 -3.648 153 HA ILE 18 HA ILE 18 -5.878 -1.078 -2.015 154 HB ILE 18 HB ILE 18 -3.622 0.922 -1.790 155 1HG1 ILE 18 1HG1 ILE 18 -3.281 -1.941 -1.770 156 2HG1 ILE 18 2HG1 ILE 18 -2.140 -0.632 -1.425 157 1HG2 ILE 18 1HG2 ILE 18 -5.336 -0.280 0.410 158 2HG2 ILE 18 2HG2 ILE 18 -5.576 1.300 -0.311 159 3HG2 ILE 18 3HG2 ILE 18 -4.092 0.978 0.572 160 1HD1 ILE 18 1HD1 ILE 18 -2.737 -0.733 0.958 161 2HD1 ILE 18 2HD1 ILE 18 -3.797 -2.108 0.605 162 3HD1 ILE 18 3HD1 ILE 18 -2.062 -2.227 0.311 163 H TRP 19 H TRP 19 -4.751 1.494 -4.204 164 HA TRP 19 HA TRP 19 -6.700 3.472 -3.531 165 1HB TRP 19 1HB TRP 19 -4.474 2.964 -5.505 166 2HB TRP 19 2HB TRP 19 -5.595 4.127 -5.971 167 HD1 TRP 19 HD1 TRP 19 -5.840 5.478 -2.908 168 HE1 TRP 19 HE1 TRP 19 -3.858 6.980 -2.096 169 HE3 TRP 19 HE3 TRP 19 -2.201 3.980 -6.186 170 HZ2 TRP 19 HZ2 TRP 19 -1.191 7.455 -2.795 171 HZ3 TRP 19 HZ3 TRP 19 0.003 5.087 -6.173 172 HH2 TRP 19 HH2 TRP 19 0.532 6.827 -4.481 173 H LYS 20 H LYS 20 -6.471 0.892 -5.995 174 HA LYS 20 HA LYS 20 -8.630 1.826 -7.614 175 1HB LYS 20 1HB LYS 20 -7.012 0.225 -8.459 176 2HB LYS 20 2HB LYS 20 -7.411 -0.936 -7.189 177 1HG LYS 20 1HG LYS 20 -8.366 -1.588 -9.327 178 2HG LYS 20 2HG LYS 20 -9.627 -1.312 -8.122 179 1HD LYS 20 1HD LYS 20 -10.132 0.898 -9.109 180 2HD LYS 20 2HD LYS 20 -8.779 0.720 -10.249 181 1HE LYS 20 1HE LYS 20 -9.903 -1.259 -11.255 182 2HE LYS 20 2HE LYS 20 -11.232 -1.098 -10.089 183 1HZ LYS 20 1HZ LYS 20 -11.767 -0.115 -12.183 184 2HZ LYS 20 2HZ LYS 20 -10.473 0.901 -12.100 185 3HZ LYS 20 3HZ LYS 20 -11.707 1.046 -11.016 186 H HIS 21 H HIS 21 -8.436 -0.638 -5.000 187 HA HIS 21 HA HIS 21 -11.337 -0.923 -4.817 188 1HB HIS 21 1HB HIS 21 -9.091 -1.722 -2.931 189 2HB HIS 21 2HB HIS 21 -10.783 -2.237 -2.800 190 HD2 HIS 21 HD2 HIS 21 -10.944 -4.789 -3.594 191 HE1 HIS 21 HE1 HIS 21 -8.062 -4.654 -6.693 192 HE2 HIS 21 HE2 HIS 21 -9.699 -6.166 -5.468 193 H SER 22 H SER 22 -12.380 -0.378 -2.435 194 HA SER 22 HA SER 22 -12.186 2.492 -2.117 195 1HB SER 22 1HB SER 22 -13.556 1.813 0.005 196 2HB SER 22 2HB SER 22 -14.260 1.467 -1.589 197 HG SER 22 HG SER 22 -14.336 -0.377 -0.201 198 H SER 23 H SER 23 -11.339 -0.272 -0.111 199 HA SER 23 HA SER 23 -8.687 0.821 0.338 200 1HB SER 23 1HB SER 23 -10.483 -0.021 2.672 201 2HB SER 23 2HB SER 23 -8.732 0.192 2.802 202 HG SER 23 HG SER 23 -9.999 2.299 1.571 203 H ILE 24 H ILE 24 -7.864 -1.611 1.849 204 HA ILE 24 HA ILE 24 -9.321 -3.817 0.683 205 HB ILE 24 HB ILE 24 -7.843 -3.094 -1.179 206 1HG1 ILE 24 1HG1 ILE 24 -7.018 -5.809 -0.159 207 2HG1 ILE 24 2HG1 ILE 24 -8.641 -5.461 -0.807 208 1HG2 ILE 24 1HG2 ILE 24 -5.528 -4.059 0.528 209 2HG2 ILE 24 2HG2 ILE 24 -5.474 -3.283 -1.077 210 3HG2 ILE 24 3HG2 ILE 24 -5.976 -2.358 0.340 211 1HD1 ILE 24 1HD1 ILE 24 -7.596 -4.684 -2.938 212 2HD1 ILE 24 2HD1 ILE 24 -6.018 -5.190 -2.309 213 3HD1 ILE 24 3HD1 ILE 24 -7.281 -6.393 -2.588 214 H ASN 25 H ASN 25 -8.846 -5.855 1.769 215 HA ASN 25 HA ASN 25 -7.382 -5.450 4.323 216 1HB ASN 25 1HB ASN 25 -8.623 -7.019 5.342 217 2HB ASN 25 2HB ASN 25 -9.806 -6.265 4.275 218 1HD2 ASN 25 1HD2 ASN 25 -10.996 -8.248 4.861 219 2HD2 ASN 25 2HD2 ASN 25 -10.736 -9.689 3.881 220 H THR 26 H THR 26 -5.944 -7.188 5.129 221 HA THR 26 HA THR 26 -3.911 -7.751 3.489 222 HB THR 26 HB THR 26 -4.589 -9.842 5.544 223 HG1 THR 26 HG1 THR 26 -3.955 -7.132 6.082 224 1HG2 THR 26 1HG2 THR 26 -2.202 -9.441 6.140 225 2HG2 THR 26 2HG2 THR 26 -2.380 -9.892 4.432 226 3HG2 THR 26 3HG2 THR 26 -2.083 -8.208 4.875 227 H ASN 27 H ASN 27 -6.643 -10.104 3.919 228 HA ASN 27 HA ASN 27 -5.357 -12.146 2.376 229 1HB ASN 27 1HB ASN 27 -7.362 -12.397 3.925 230 2HB ASN 27 2HB ASN 27 -8.363 -11.722 2.636 231 1HD2 ASN 27 1HD2 ASN 27 -6.536 -13.296 0.513 232 2HD2 ASN 27 2HD2 ASN 27 -7.158 -14.920 0.732 233 H GLU 28 H GLU 28 -7.569 -9.463 1.508 234 HA GLU 28 HA GLU 28 -7.946 -10.249 -1.236 235 1HB GLU 28 1HB GLU 28 -8.188 -7.615 0.237 236 2HB GLU 28 2HB GLU 28 -8.757 -7.880 -1.425 237 1HG GLU 28 1HG GLU 28 -10.399 -9.480 -0.668 238 2HG GLU 28 2HG GLU 28 -9.786 -9.462 0.979 239 H VAL 29 H VAL 29 -5.757 -7.959 0.463 240 HA VAL 29 HA VAL 29 -4.552 -6.963 -1.887 241 HB VAL 29 HB VAL 29 -4.506 -6.196 0.684 242 1HG1 VAL 29 1HG1 VAL 29 -2.302 -6.228 1.633 243 2HG1 VAL 29 2HG1 VAL 29 -1.661 -7.225 0.308 244 3HG1 VAL 29 3HG1 VAL 29 -2.823 -7.891 1.463 245 1HG2 VAL 29 1HG2 VAL 29 -3.018 -4.484 0.088 246 2HG2 VAL 29 2HG2 VAL 29 -3.923 -4.886 -1.381 247 3HG2 VAL 29 3HG2 VAL 29 -2.257 -5.457 -1.182 248 H ILE 30 H ILE 30 -3.373 -9.585 0.333 249 HA ILE 30 HA ILE 30 -1.160 -10.220 -1.281 250 HB ILE 30 HB ILE 30 -2.766 -12.002 0.598 251 1HG1 ILE 30 1HG1 ILE 30 -0.421 -10.088 0.852 252 2HG1 ILE 30 2HG1 ILE 30 -1.878 -10.146 1.808 253 1HG2 ILE 30 1HG2 ILE 30 -0.724 -13.434 0.595 254 2HG2 ILE 30 2HG2 ILE 30 -1.443 -13.366 -1.002 255 3HG2 ILE 30 3HG2 ILE 30 -0.006 -12.389 -0.654 256 1HD1 ILE 30 1HD1 ILE 30 0.502 -11.979 2.000 257 2HD1 ILE 30 2HD1 ILE 30 -0.213 -10.922 3.228 258 3HD1 ILE 30 3HD1 ILE 30 -1.077 -12.387 2.733 259 H LYS 31 H LYS 31 -4.503 -11.612 -1.396 260 HA LYS 31 HA LYS 31 -3.943 -13.430 -3.449 261 1HB LYS 31 1HB LYS 31 -6.044 -13.243 -2.034 262 2HB LYS 31 2HB LYS 31 -6.553 -11.907 -3.056 263 1HG LYS 31 1HG LYS 31 -7.632 -13.974 -3.748 264 2HG LYS 31 2HG LYS 31 -6.571 -13.390 -5.024 265 1HD LYS 31 1HD LYS 31 -6.447 -15.862 -4.704 266 2HD LYS 31 2HD LYS 31 -4.885 -15.071 -4.511 267 1HE LYS 31 1HE LYS 31 -5.275 -16.848 -2.837 268 2HE LYS 31 2HE LYS 31 -5.047 -15.283 -2.058 269 1HZ LYS 31 1HZ LYS 31 -7.424 -15.122 -1.834 270 2HZ LYS 31 2HZ LYS 31 -7.639 -16.568 -2.596 271 3HZ LYS 31 3HZ LYS 31 -6.877 -16.513 -1.137 272 H GLU 32 H GLU 32 -5.164 -10.061 -3.763 273 HA GLU 32 HA GLU 32 -5.348 -9.982 -6.566 274 1HB GLU 32 1HB GLU 32 -6.319 -8.375 -4.854 275 2HB GLU 32 2HB GLU 32 -4.704 -7.679 -4.691 276 1HG GLU 32 1HG GLU 32 -5.891 -6.303 -6.228 277 2HG GLU 32 2HG GLU 32 -4.809 -7.250 -7.251 278 H LEU 33 H LEU 33 -2.641 -8.851 -4.417 279 HA LEU 33 HA LEU 33 -1.002 -8.100 -6.638 280 1HB LEU 33 1HB LEU 33 -0.393 -8.617 -3.724 281 2HB LEU 33 2HB LEU 33 0.902 -8.457 -4.908 282 HG LEU 33 HG LEU 33 0.672 -6.370 -3.903 283 1HD1 LEU 33 1HD1 LEU 33 0.383 -4.882 -5.727 284 2HD1 LEU 33 2HD1 LEU 33 -0.700 -5.971 -6.583 285 3HD1 LEU 33 3HD1 LEU 33 1.018 -6.384 -6.386 286 1HD2 LEU 33 1HD2 LEU 33 -1.550 -6.505 -2.971 287 2HD2 LEU 33 2HD2 LEU 33 -1.408 -5.013 -3.893 288 3HD2 LEU 33 3HD2 LEU 33 -2.300 -6.380 -4.576 289 H SER 34 H SER 34 -0.897 -11.177 -4.655 290 HA SER 34 HA SER 34 1.105 -12.379 -6.183 291 1HB SER 34 1HB SER 34 -1.275 -13.656 -4.795 292 2HB SER 34 2HB SER 34 0.119 -14.541 -5.448 293 HG SER 34 HG SER 34 1.467 -13.259 -4.061 294 H LYS 35 H LYS 35 -2.438 -12.256 -6.939 295 HA LYS 35 HA LYS 35 -2.257 -14.016 -9.197 296 1HB LYS 35 1HB LYS 35 -4.188 -11.805 -8.394 297 2HB LYS 35 2HB LYS 35 -4.316 -12.630 -9.951 298 1HG LYS 35 1HG LYS 35 -4.516 -14.801 -8.871 299 2HG LYS 35 2HG LYS 35 -4.390 -14.055 -7.265 300 1HD LYS 35 1HD LYS 35 -6.416 -12.737 -7.659 301 2HD LYS 35 2HD LYS 35 -6.529 -13.305 -9.329 302 1HE LYS 35 1HE LYS 35 -6.746 -15.109 -6.880 303 2HE LYS 35 2HE LYS 35 -8.121 -14.455 -7.784 304 1HZ LYS 35 1HZ LYS 35 -7.608 -16.652 -8.484 305 2HZ LYS 35 2HZ LYS 35 -7.313 -15.603 -9.719 306 3HZ LYS 35 3HZ LYS 35 -6.059 -16.243 -8.862 307 H THR 36 H THR 36 -2.032 -10.430 -8.954 308 HA THR 36 HA THR 36 -1.630 -10.160 -11.839 309 HB THR 36 HB THR 36 -1.195 -7.760 -11.213 310 HG1 THR 36 HG1 THR 36 -2.027 -8.589 -8.622 311 1HG2 THR 36 1HG2 THR 36 -3.461 -8.557 -11.811 312 2HG2 THR 36 2HG2 THR 36 -3.532 -7.306 -10.556 313 3HG2 THR 36 3HG2 THR 36 -3.767 -9.009 -10.122 314 H SER 37 H SER 37 0.449 -9.239 -9.095 315 HA SER 37 HA SER 37 2.931 -9.588 -10.710 316 1HB SER 37 1HB SER 37 3.858 -8.381 -8.676 317 2HB SER 37 2HB SER 37 2.695 -7.435 -9.627 318 HG SER 37 HG SER 37 1.779 -9.058 -7.517 319 H THR 38 H THR 38 3.592 -11.762 -10.554 320 HA THR 38 HA THR 38 2.840 -13.511 -8.462 321 HB THR 38 HB THR 38 4.554 -14.990 -9.556 322 HG1 THR 38 HG1 THR 38 5.948 -13.285 -10.130 323 1HG2 THR 38 1HG2 THR 38 2.688 -13.536 -11.499 324 2HG2 THR 38 2HG2 THR 38 3.399 -15.145 -11.711 325 3HG2 THR 38 3HG2 THR 38 2.218 -14.861 -10.417 326 H TRP 39 H TRP 39 3.426 -12.120 -6.611 327 HA TRP 39 HA TRP 39 6.197 -12.635 -5.618 328 1HB TRP 39 1HB TRP 39 4.161 -10.512 -4.861 329 2HB TRP 39 2HB TRP 39 5.746 -10.705 -4.129 330 HD1 TRP 39 HD1 TRP 39 7.325 -10.956 -6.995 331 HE1 TRP 39 HE1 TRP 39 7.726 -8.776 -8.327 332 HE3 TRP 39 HE3 TRP 39 3.689 -8.019 -4.907 333 HZ2 TRP 39 HZ2 TRP 39 6.608 -6.145 -8.476 334 HZ3 TRP 39 HZ3 TRP 39 3.345 -5.709 -5.697 335 HH2 TRP 39 HH2 TRP 39 4.761 -4.778 -7.511 336 H SER 40 H SER 40 6.358 -13.678 -3.635 337 HA SER 40 HA SER 40 4.216 -15.272 -2.787 338 1HB SER 40 1HB SER 40 6.755 -14.586 -1.252 339 2HB SER 40 2HB SER 40 5.837 -16.105 -1.193 340 HG SER 40 HG SER 40 7.704 -16.196 -2.578 341 HA PRO 41 HA PRO 41 2.067 -12.916 0.313 342 1HB PRO 41 1HB PRO 41 2.829 -15.111 2.270 343 2HB PRO 41 2HB PRO 41 1.248 -14.304 2.076 344 1HG PRO 41 1HG PRO 41 1.641 -16.724 0.944 345 2HG PRO 41 2HG PRO 41 0.874 -15.430 -0.024 346 1HD PRO 41 1HD PRO 41 3.752 -16.348 -0.092 347 2HD PRO 41 2HD PRO 41 2.640 -15.970 -1.442 348 H LYS 42 H LYS 42 5.123 -14.354 1.567 349 HA LYS 42 HA LYS 42 5.598 -12.444 3.597 350 1HB LYS 42 1HB LYS 42 6.701 -14.676 3.263 351 2HB LYS 42 2HB LYS 42 7.707 -13.975 1.992 352 1HG LYS 42 1HG LYS 42 7.573 -12.856 4.829 353 2HG LYS 42 2HG LYS 42 8.644 -14.191 4.397 354 1HD LYS 42 1HD LYS 42 9.864 -12.828 2.791 355 2HD LYS 42 2HD LYS 42 8.770 -11.466 3.040 356 1HE LYS 42 1HE LYS 42 9.405 -11.473 5.491 357 2HE LYS 42 2HE LYS 42 10.697 -12.616 5.072 358 1HZ LYS 42 1HZ LYS 42 11.512 -10.945 3.530 359 2HZ LYS 42 2HZ LYS 42 11.442 -10.350 5.067 360 3HZ LYS 42 3HZ LYS 42 10.290 -9.920 3.967 361 H THR 43 H THR 43 6.771 -12.581 0.196 362 HA THR 43 HA THR 43 8.252 -10.248 0.070 363 HB THR 43 HB THR 43 6.433 -11.410 -2.085 364 HG1 THR 43 HG1 THR 43 9.024 -12.232 -1.321 365 1HG2 THR 43 1HG2 THR 43 9.093 -9.967 -2.311 366 2HG2 THR 43 2HG2 THR 43 8.200 -10.745 -3.639 367 3HG2 THR 43 3HG2 THR 43 7.496 -9.352 -2.805 368 H ILE 44 H ILE 44 4.758 -10.695 -0.722 369 HA ILE 44 HA ILE 44 4.194 -7.971 -1.254 370 HB ILE 44 HB ILE 44 2.468 -10.285 -0.356 371 1HG1 ILE 44 1HG1 ILE 44 2.446 -8.716 -2.961 372 2HG1 ILE 44 2HG1 ILE 44 3.638 -9.994 -2.686 373 1HG2 ILE 44 1HG2 ILE 44 1.287 -8.432 0.531 374 2HG2 ILE 44 2HG2 ILE 44 1.714 -7.364 -0.820 375 3HG2 ILE 44 3HG2 ILE 44 0.539 -8.668 -1.043 376 1HD1 ILE 44 1HD1 ILE 44 1.879 -11.641 -2.289 377 2HD1 ILE 44 2HD1 ILE 44 1.757 -10.894 -3.897 378 3HD1 ILE 44 3HD1 ILE 44 0.637 -10.413 -2.613 379 H GLN 45 H GLN 45 3.733 -9.794 1.840 380 HA GLN 45 HA GLN 45 2.803 -7.567 3.294 381 1HB GLN 45 1HB GLN 45 4.359 -10.039 4.135 382 2HB GLN 45 2HB GLN 45 3.772 -8.840 5.303 383 1HG GLN 45 1HG GLN 45 1.481 -9.150 4.673 384 2HG GLN 45 2HG GLN 45 1.919 -10.113 3.260 385 1HE2 GLN 45 1HE2 GLN 45 3.197 -12.115 3.714 386 2HE2 GLN 45 2HE2 GLN 45 2.713 -13.088 5.114 387 H THR 46 H THR 46 6.206 -8.637 2.771 388 HA THR 46 HA THR 46 7.405 -6.634 4.370 389 HB THR 46 HB THR 46 8.520 -7.835 1.795 390 HG1 THR 46 HG1 THR 46 7.848 -9.420 3.289 391 1HG2 THR 46 1HG2 THR 46 9.889 -6.676 4.261 392 2HG2 THR 46 2HG2 THR 46 10.700 -7.467 2.895 393 3HG2 THR 46 3HG2 THR 46 9.856 -5.928 2.648 394 H MET 47 H MET 47 6.820 -6.570 0.790 395 HA MET 47 HA MET 47 7.696 -3.962 0.295 396 1HB MET 47 1HB MET 47 5.493 -5.617 -1.012 397 2HB MET 47 2HB MET 47 6.110 -4.094 -1.667 398 1HG MET 47 1HG MET 47 8.348 -5.025 -1.851 399 2HG MET 47 2HG MET 47 7.824 -6.562 -1.184 400 1HE MET 47 1HE MET 47 9.151 -7.484 -3.337 401 2HE MET 47 2HE MET 47 9.319 -5.895 -4.124 402 3HE MET 47 3HE MET 47 8.580 -7.251 -5.008 403 H LEU 48 H LEU 48 4.395 -5.051 1.313 404 HA LEU 48 HA LEU 48 3.295 -2.400 0.950 405 1HB LEU 48 1HB LEU 48 1.396 -3.434 1.022 406 2HB LEU 48 2HB LEU 48 2.362 -4.865 0.741 407 HG LEU 48 HG LEU 48 2.162 -5.219 3.283 408 1HD1 LEU 48 1HD1 LEU 48 0.068 -4.110 4.170 409 2HD1 LEU 48 2HD1 LEU 48 -0.182 -3.306 2.609 410 3HD1 LEU 48 3HD1 LEU 48 1.165 -2.816 3.632 411 1HD2 LEU 48 1HD2 LEU 48 -0.101 -6.226 2.962 412 2HD2 LEU 48 2HD2 LEU 48 1.089 -6.634 1.717 413 3HD2 LEU 48 3HD2 LEU 48 -0.163 -5.427 1.368 414 H LEU 49 H LEU 49 4.052 -4.444 3.629 415 HA LEU 49 HA LEU 49 3.539 -2.859 5.844 416 1HB LEU 49 1HB LEU 49 4.356 -5.088 6.064 417 2HB LEU 49 2HB LEU 49 5.985 -4.629 5.530 418 HG LEU 49 HG LEU 49 4.750 -3.235 7.922 419 1HD1 LEU 49 1HD1 LEU 49 4.286 -5.610 8.333 420 2HD1 LEU 49 2HD1 LEU 49 5.977 -6.023 7.973 421 3HD1 LEU 49 3HD1 LEU 49 5.579 -5.040 9.399 422 1HD2 LEU 49 1HD2 LEU 49 7.098 -3.284 8.727 423 2HD2 LEU 49 2HD2 LEU 49 7.587 -4.182 7.276 424 3HD2 LEU 49 3HD2 LEU 49 7.025 -2.508 7.147 425 H ARG 50 H ARG 50 6.467 -2.534 3.778 426 HA ARG 50 HA ARG 50 7.856 -0.534 5.111 427 1HB ARG 50 1HB ARG 50 7.309 -0.549 2.144 428 2HB ARG 50 2HB ARG 50 8.592 0.298 3.012 429 1HG ARG 50 1HG ARG 50 8.830 -2.410 3.873 430 2HG ARG 50 2HG ARG 50 8.413 -2.490 2.155 431 1HD ARG 50 1HD ARG 50 10.287 -0.643 1.909 432 2HD ARG 50 2HD ARG 50 10.793 -1.189 3.500 433 HE ARG 50 HE ARG 50 11.612 -3.141 2.606 434 1HH1 ARG 50 1HH1 ARG 50 9.513 -1.594 0.198 435 2HH1 ARG 50 2HH1 ARG 50 9.959 -2.687 -1.084 436 1HH2 ARG 50 1HH2 ARG 50 12.179 -4.575 0.937 437 2HH2 ARG 50 2HH2 ARG 50 11.494 -4.414 -0.657 438 H LEU 51 H LEU 51 4.894 -0.187 3.155 439 HA LEU 51 HA LEU 51 4.821 2.695 3.125 440 1HB LEU 51 1HB LEU 51 2.545 0.742 2.637 441 2HB LEU 51 2HB LEU 51 2.698 2.394 2.058 442 HG LEU 51 HG LEU 51 4.440 0.020 1.191 443 1HD1 LEU 51 1HD1 LEU 51 3.383 0.426 -0.990 444 2HD1 LEU 51 2HD1 LEU 51 2.214 -0.028 0.260 445 3HD1 LEU 51 3HD1 LEU 51 2.348 1.671 -0.245 446 1HD2 LEU 51 1HD2 LEU 51 4.639 2.993 0.711 447 2HD2 LEU 51 2HD2 LEU 51 5.292 1.830 -0.459 448 3HD2 LEU 51 3HD2 LEU 51 5.922 1.872 1.186 449 H ILE 52 H ILE 52 3.782 0.219 5.351 450 HA ILE 52 HA ILE 52 1.876 1.918 6.777 451 HB ILE 52 HB ILE 52 3.130 -0.712 7.664 452 1HG1 ILE 52 1HG1 ILE 52 0.553 -0.255 6.112 453 2HG1 ILE 52 2HG1 ILE 52 2.018 -0.989 5.455 454 1HG2 ILE 52 1HG2 ILE 52 1.179 -0.831 9.139 455 2HG2 ILE 52 2HG2 ILE 52 0.543 0.683 8.457 456 3HG2 ILE 52 3HG2 ILE 52 2.031 0.685 9.425 457 1HD1 ILE 52 1HD1 ILE 52 1.854 -2.770 7.276 458 2HD1 ILE 52 2HD1 ILE 52 0.200 -2.176 7.545 459 3HD1 ILE 52 3HD1 ILE 52 0.673 -2.813 5.963 460 H LYS 53 H LYS 53 5.167 0.577 7.216 461 HA LYS 53 HA LYS 53 5.848 1.929 9.591 462 1HB LYS 53 1HB LYS 53 7.120 0.080 8.454 463 2HB LYS 53 2HB LYS 53 7.727 1.268 7.286 464 1HG LYS 53 1HG LYS 53 8.732 2.565 9.176 465 2HG LYS 53 2HG LYS 53 8.122 1.349 10.314 466 1HD LYS 53 1HD LYS 53 9.468 -0.401 9.167 467 2HD LYS 53 2HD LYS 53 10.079 0.817 8.027 468 1HE LYS 53 1HE LYS 53 11.093 2.079 9.919 469 2HE LYS 53 2HE LYS 53 10.481 0.865 11.059 470 1HZ LYS 53 1HZ LYS 53 12.392 0.363 8.887 471 2HZ LYS 53 2HZ LYS 53 12.753 0.481 10.490 472 3HZ LYS 53 3HZ LYS 53 11.823 -0.765 9.947 473 H LYS 54 H LYS 54 6.198 3.024 6.166 474 HA LYS 54 HA LYS 54 7.283 5.592 6.785 475 1HB LYS 54 1HB LYS 54 5.948 4.271 4.396 476 2HB LYS 54 2HB LYS 54 6.521 5.928 4.355 477 1HG LYS 54 1HG LYS 54 8.799 5.304 4.718 478 2HG LYS 54 2HG LYS 54 8.361 3.657 5.171 479 1HD LYS 54 1HD LYS 54 9.329 3.820 2.877 480 2HD LYS 54 2HD LYS 54 7.735 3.064 2.942 481 1HE LYS 54 1HE LYS 54 7.989 4.610 1.018 482 2HE LYS 54 2HE LYS 54 6.656 5.069 2.086 483 1HZ LYS 54 1HZ LYS 54 9.333 6.298 2.005 484 2HZ LYS 54 2HZ LYS 54 8.141 6.695 3.076 485 3HZ LYS 54 3HZ LYS 54 7.930 6.947 1.462 486 H GLY 55 H GLY 55 4.098 4.467 7.407 487 1HA GLY 55 1HA GLY 55 2.167 5.552 7.879 488 2HA GLY 55 2HA GLY 55 3.093 7.059 7.967 489 H ALA 56 H ALA 56 3.052 5.114 5.025 490 HA ALA 56 HA ALA 56 1.803 7.335 3.513 491 1HB ALA 56 1HB ALA 56 3.800 6.257 2.586 492 2HB ALA 56 2HB ALA 56 2.393 5.969 1.549 493 3HB ALA 56 3HB ALA 56 2.987 4.678 2.607 494 H LEU 57 H LEU 57 1.231 3.983 4.566 495 HA LEU 57 HA LEU 57 -1.679 4.223 3.797 496 1HB LEU 57 1HB LEU 57 0.309 1.945 3.705 497 2HB LEU 57 2HB LEU 57 -1.381 1.611 4.071 498 HG LEU 57 HG LEU 57 -2.166 2.367 1.983 499 1HD1 LEU 57 1HD1 LEU 57 -0.619 3.185 0.163 500 2HD1 LEU 57 2HD1 LEU 57 0.630 3.441 1.396 501 3HD1 LEU 57 3HD1 LEU 57 -0.898 4.350 1.446 502 1HD2 LEU 57 1HD2 LEU 57 0.441 0.872 1.511 503 2HD2 LEU 57 2HD2 LEU 57 -1.009 0.820 0.490 504 3HD2 LEU 57 3HD2 LEU 57 -1.037 0.129 2.134 505 H ASN 58 H ASN 58 -2.970 4.328 5.598 506 HA ASN 58 HA ASN 58 -1.737 3.766 8.262 507 1HB ASN 58 1HB ASN 58 -2.837 5.888 8.216 508 2HB ASN 58 2HB ASN 58 -4.254 5.220 7.396 509 1HD2 ASN 58 1HD2 ASN 58 -2.313 4.421 10.389 510 2HD2 ASN 58 2HD2 ASN 58 -3.745 4.111 11.353 511 H HIS 59 H HIS 59 -2.207 1.806 9.279 512 HA HIS 59 HA HIS 59 -4.130 0.069 7.913 513 1HB HIS 59 1HB HIS 59 -3.139 -1.699 9.258 514 2HB HIS 59 2HB HIS 59 -2.014 -0.881 8.184 515 HD2 HIS 59 HD2 HIS 59 -1.231 -2.529 11.054 516 HE1 HIS 59 HE1 HIS 59 0.100 1.331 12.179 517 HE2 HIS 59 HE2 HIS 59 0.246 -1.156 12.736 518 H HIS 60 H HIS 60 -5.656 -1.082 8.961 519 HA HIS 60 HA HIS 60 -6.602 -0.275 11.679 520 1HB HIS 60 1HB HIS 60 -8.037 0.945 10.312 521 2HB HIS 60 2HB HIS 60 -8.046 -0.343 9.110 522 HD2 HIS 60 HD2 HIS 60 -9.584 0.266 12.704 523 HE1 HIS 60 HE1 HIS 60 -11.712 -2.843 10.771 524 HE2 HIS 60 HE2 HIS 60 -11.605 -1.404 12.872 525 H LYS 61 H LYS 61 -7.517 -2.093 12.847 526 HA LYS 61 HA LYS 61 -6.792 -4.747 11.741 527 1HB LYS 61 1HB LYS 61 -7.664 -3.835 14.499 528 2HB LYS 61 2HB LYS 61 -7.421 -5.513 14.018 529 1HG LYS 61 1HG LYS 61 -5.028 -4.833 13.293 530 2HG LYS 61 2HG LYS 61 -5.362 -3.278 14.062 531 1HD LYS 61 1HD LYS 61 -4.341 -4.347 15.813 532 2HD LYS 61 2HD LYS 61 -6.011 -4.795 16.163 533 1HE LYS 61 1HE LYS 61 -3.897 -6.492 14.725 534 2HE LYS 61 2HE LYS 61 -4.458 -6.707 16.388 535 1HZ LYS 61 1HZ LYS 61 -5.500 -8.253 14.949 536 2HZ LYS 61 2HZ LYS 61 -6.076 -7.066 13.969 537 3HZ LYS 61 3HZ LYS 61 -6.639 -7.207 15.511 538 H GLU 62 H GLU 62 -8.293 -5.627 10.423 539 HA GLU 62 HA GLU 62 -11.204 -5.278 10.987 540 1HB GLU 62 1HB GLU 62 -10.444 -4.885 8.711 541 2HB GLU 62 2HB GLU 62 -9.711 -6.496 8.642 542 1HG GLU 62 1HG GLU 62 -11.940 -7.542 8.871 543 2HG GLU 62 2HG GLU 62 -12.650 -5.927 9.011 544 H GLY 63 H GLY 63 -10.716 -6.318 13.002 545 1HA GLY 63 1HA GLY 63 -10.942 -8.058 14.454 546 2HA GLY 63 2HA GLY 63 -11.591 -9.019 13.121 547 H ARG 64 H ARG 64 -9.976 -9.977 11.651 548 HA ARG 64 HA ARG 64 -7.664 -11.121 13.191 549 1HB ARG 64 1HB ARG 64 -9.193 -12.334 10.886 550 2HB ARG 64 2HB ARG 64 -7.906 -13.098 11.822 551 1HG ARG 64 1HG ARG 64 -10.655 -12.307 12.888 552 2HG ARG 64 2HG ARG 64 -10.114 -13.935 12.494 553 1HD ARG 64 1HD ARG 64 -8.356 -13.570 14.261 554 2HD ARG 64 2HD ARG 64 -9.128 -12.051 14.690 555 HE ARG 64 HE ARG 64 -10.828 -13.136 15.748 556 1HH1 ARG 64 1HH1 ARG 64 -9.060 -15.509 13.819 557 2HH1 ARG 64 2HH1 ARG 64 -9.840 -16.891 14.540 558 1HH2 ARG 64 1HH2 ARG 64 -11.872 -14.921 16.681 559 2HH2 ARG 64 2HH2 ARG 64 -11.481 -16.546 16.188 560 H VAL 65 H VAL 65 -8.651 -9.551 10.173 561 HA VAL 65 HA VAL 65 -5.829 -9.714 9.168 562 HB VAL 65 HB VAL 65 -6.760 -9.277 6.935 563 1HG1 VAL 65 1HG1 VAL 65 -7.575 -11.536 6.508 564 2HG1 VAL 65 2HG1 VAL 65 -6.238 -11.580 7.671 565 3HG1 VAL 65 3HG1 VAL 65 -7.912 -11.780 8.233 566 1HG2 VAL 65 1HG2 VAL 65 -8.900 -8.225 7.491 567 2HG2 VAL 65 2HG2 VAL 65 -9.501 -9.738 8.203 568 3HG2 VAL 65 3HG2 VAL 65 -9.149 -9.647 6.472 569 H PHE 66 H PHE 66 -5.423 -7.566 7.764 570 HA PHE 66 HA PHE 66 -6.608 -5.316 9.275 571 1HB PHE 66 1HB PHE 66 -4.502 -4.173 9.386 572 2HB PHE 66 2HB PHE 66 -4.605 -5.599 10.395 573 HD1 PHE 66 HD1 PHE 66 -2.265 -3.790 8.911 574 HD2 PHE 66 HD2 PHE 66 -3.616 -7.879 9.067 575 HE1 PHE 66 HE1 PHE 66 0.027 -4.583 8.432 576 HE2 PHE 66 HE2 PHE 66 -1.369 -8.647 8.446 577 HZ PHE 66 HZ PHE 66 0.468 -7.007 8.113 578 H VAL 67 H VAL 67 -6.984 -3.487 8.259 579 HA VAL 67 HA VAL 67 -7.125 -3.632 5.310 580 HB VAL 67 HB VAL 67 -8.819 -2.262 7.417 581 1HG1 VAL 67 1HG1 VAL 67 -10.172 -1.331 5.534 582 2HG1 VAL 67 2HG1 VAL 67 -8.903 -1.829 4.398 583 3HG1 VAL 67 3HG1 VAL 67 -8.572 -0.594 5.635 584 1HG2 VAL 67 1HG2 VAL 67 -9.252 -4.689 6.752 585 2HG2 VAL 67 2HG2 VAL 67 -10.610 -3.580 6.461 586 3HG2 VAL 67 3HG2 VAL 67 -9.583 -4.102 5.113 587 H TYR 68 H TYR 68 -6.256 -2.064 4.078 588 HA TYR 68 HA TYR 68 -4.479 -0.093 5.472 589 1HB TYR 68 1HB TYR 68 -4.399 -0.995 2.597 590 2HB TYR 68 2HB TYR 68 -3.144 -0.143 3.499 591 HD1 TYR 68 HD1 TYR 68 -4.508 -3.351 2.536 592 HD2 TYR 68 HD2 TYR 68 -2.107 -1.406 5.539 593 HE1 TYR 68 HE1 TYR 68 -4.001 -5.534 3.535 594 HE2 TYR 68 HE2 TYR 68 -1.563 -3.601 6.511 595 HH TYR 68 HH TYR 68 -2.136 -5.859 6.575 596 H THR 69 H THR 69 -5.150 1.977 5.464 597 HA THR 69 HA THR 69 -7.071 2.931 3.396 598 HB THR 69 HB THR 69 -7.635 4.686 4.945 599 HG1 THR 69 HG1 THR 69 -5.862 3.342 6.715 600 1HG2 THR 69 1HG2 THR 69 -8.910 2.546 4.934 601 2HG2 THR 69 2HG2 THR 69 -8.884 3.311 6.533 602 3HG2 THR 69 3HG2 THR 69 -7.846 1.912 6.209 603 HA PRO 70 HA PRO 70 -3.251 4.820 1.857 604 1HB PRO 70 1HB PRO 70 -5.263 6.285 0.136 605 2HB PRO 70 2HB PRO 70 -3.693 5.558 -0.320 606 1HG PRO 70 1HG PRO 70 -6.027 4.208 -0.847 607 2HG PRO 70 2HG PRO 70 -4.594 3.363 -0.189 608 1HD PRO 70 1HD PRO 70 -7.034 4.388 1.298 609 2HD PRO 70 2HD PRO 70 -6.225 2.796 1.401 610 H ASN 71 H ASN 71 -2.238 6.475 2.990 611 HA ASN 71 HA ASN 71 -3.761 8.584 4.292 612 1HB ASN 71 1HB ASN 71 -1.606 7.424 5.077 613 2HB ASN 71 2HB ASN 71 -0.792 8.474 3.915 614 1HD2 ASN 71 1HD2 ASN 71 0.250 8.955 6.181 615 2HD2 ASN 71 2HD2 ASN 71 -0.444 10.367 6.975 616 H ILE 72 H ILE 72 -1.686 8.157 1.531 617 HA ILE 72 HA ILE 72 -2.184 10.941 0.560 618 HB ILE 72 HB ILE 72 -0.192 10.885 -0.669 619 1HG1 ILE 72 1HG1 ILE 72 0.086 8.711 -1.533 620 2HG1 ILE 72 2HG1 ILE 72 1.498 9.091 -0.567 621 1HG2 ILE 72 1HG2 ILE 72 0.042 11.521 1.671 622 2HG2 ILE 72 2HG2 ILE 72 0.468 9.856 2.116 623 3HG2 ILE 72 3HG2 ILE 72 1.521 10.785 1.039 624 1HD1 ILE 72 1HD1 ILE 72 -0.720 7.156 0.152 625 2HD1 ILE 72 2HD1 ILE 72 1.004 6.861 -0.060 626 3HD1 ILE 72 3HD1 ILE 72 0.467 7.773 1.339 627 H ASP 73 H ASP 73 -2.461 11.244 -1.702 628 HA ASP 73 HA ASP 73 -4.150 9.144 -2.975 629 1HB ASP 73 1HB ASP 73 -5.241 11.297 -2.670 630 2HB ASP 73 2HB ASP 73 -3.862 12.152 -3.382 631 H GLU 74 H GLU 74 -3.865 8.819 -5.282 632 HA GLU 74 HA GLU 74 -1.414 8.127 -6.270 633 1HB GLU 74 1HB GLU 74 -3.689 9.338 -7.921 634 2HB GLU 74 2HB GLU 74 -2.384 8.291 -8.497 635 1HG GLU 74 1HG GLU 74 -3.213 6.543 -6.856 636 2HG GLU 74 2HG GLU 74 -4.663 7.529 -6.608 637 H SER 75 H SER 75 -2.984 11.309 -6.761 638 HA SER 75 HA SER 75 -1.065 12.540 -8.350 639 1HB SER 75 1HB SER 75 -2.579 13.950 -6.114 640 2HB SER 75 2HB SER 75 -2.028 14.610 -7.662 641 HG SER 75 HG SER 75 -4.166 12.846 -7.112 642 H ASP 76 H ASP 76 -1.032 11.993 -4.840 643 HA ASP 76 HA ASP 76 1.421 13.622 -4.515 644 1HB ASP 76 1HB ASP 76 -0.578 14.085 -3.084 645 2HB ASP 76 2HB ASP 76 -0.402 12.464 -2.394 646 H TYR 77 H TYR 77 1.381 10.947 -5.882 647 HA TYR 77 HA TYR 77 2.651 9.039 -4.156 648 1HB TYR 77 1HB TYR 77 1.904 8.197 -6.211 649 2HB TYR 77 2HB TYR 77 2.529 9.553 -7.128 650 HD1 TYR 77 HD1 TYR 77 4.052 6.940 -4.850 651 HD2 TYR 77 HD2 TYR 77 4.186 8.996 -8.643 652 HE1 TYR 77 HE1 TYR 77 6.067 5.647 -5.515 653 HE2 TYR 77 HE2 TYR 77 6.258 7.775 -9.228 654 HH TYR 77 HH TYR 77 7.888 5.602 -6.915 655 H ILE 78 H ILE 78 4.342 10.867 -6.735 656 HA ILE 78 HA ILE 78 6.351 11.848 -4.758 657 HB ILE 78 HB ILE 78 6.932 10.682 -7.503 658 1HG1 ILE 78 1HG1 ILE 78 7.787 9.933 -4.657 659 2HG1 ILE 78 2HG1 ILE 78 6.682 9.023 -5.685 660 1HG2 ILE 78 1HG2 ILE 78 8.235 12.794 -7.056 661 2HG2 ILE 78 2HG2 ILE 78 9.259 11.371 -7.107 662 3HG2 ILE 78 3HG2 ILE 78 8.813 12.078 -5.538 663 1HD1 ILE 78 1HD1 ILE 78 9.664 9.403 -6.106 664 2HD1 ILE 78 2HD1 ILE 78 8.780 7.910 -5.771 665 3HD1 ILE 78 3HD1 ILE 78 8.575 8.720 -7.340 666 H GLU 79 H GLU 79 5.324 13.794 -4.591 667 HA GLU 79 HA GLU 79 4.894 15.430 -7.045 668 1HB GLU 79 1HB GLU 79 2.789 14.696 -5.992 669 2HB GLU 79 2HB GLU 79 3.315 15.371 -4.442 670 1HG GLU 79 1HG GLU 79 3.383 17.654 -5.575 671 2HG GLU 79 2HG GLU 79 2.669 16.875 -6.995 672 H VAL 80 H VAL 80 5.731 17.507 -6.915 673 HA VAL 80 HA VAL 80 7.347 18.207 -4.506 674 HB VAL 80 HB VAL 80 8.661 18.010 -6.553 675 1HG1 VAL 80 1HG1 VAL 80 6.950 18.542 -8.273 676 2HG1 VAL 80 2HG1 VAL 80 8.399 19.540 -8.439 677 3HG1 VAL 80 3HG1 VAL 80 6.934 20.235 -7.730 678 1HG2 VAL 80 1HG2 VAL 80 8.330 20.918 -5.701 679 2HG2 VAL 80 2HG2 VAL 80 9.264 19.682 -4.827 680 3HG2 VAL 80 3HG2 VAL 80 9.757 20.182 -6.453 681 H LYS 81 H LYS 81 6.793 20.142 -3.462 682 HA LYS 81 HA LYS 81 4.878 21.987 -4.620 683 1HB LYS 81 1HB LYS 81 3.413 20.049 -3.808 684 2HB LYS 81 2HB LYS 81 3.980 20.427 -2.172 685 1HG LYS 81 1HG LYS 81 3.091 22.815 -2.555 686 2HG LYS 81 2HG LYS 81 2.455 22.236 -4.092 687 1HD LYS 81 1HD LYS 81 0.671 22.226 -2.473 688 2HD LYS 81 2HD LYS 81 1.061 20.556 -2.896 689 1HE LYS 81 1HE LYS 81 0.642 20.878 -0.465 690 2HE LYS 81 2HE LYS 81 2.261 20.254 -0.769 691 1HZ LYS 81 1HZ LYS 81 2.232 22.017 0.847 692 2HZ LYS 81 2HZ LYS 81 3.116 22.477 -0.458 693 3HZ LYS 81 3HZ LYS 81 1.595 23.070 -0.246 694 H SER 82 H SER 82 6.291 20.790 -1.481 695 HA SER 82 HA SER 82 7.454 23.426 -1.007 696 1HB SER 82 1HB SER 82 5.518 22.197 1.003 697 2HB SER 82 2HB SER 82 6.343 23.765 1.097 698 HG SER 82 HG SER 82 5.117 24.014 -1.090 Start of MODEL 12 1 1H MET 1 1H MET 1 8.748 11.968 -1.917 2 2H MET 1 2H MET 1 9.794 10.706 -1.830 3 3H MET 1 3H MET 1 8.580 10.684 -2.909 4 HA MET 1 HA MET 1 10.941 12.430 -2.892 5 1HB MET 1 1HB MET 1 10.022 10.442 -5.024 6 2HB MET 1 2HB MET 1 11.334 11.608 -5.186 7 1HG MET 1 1HG MET 1 12.358 9.560 -4.639 8 2HG MET 1 2HG MET 1 12.464 10.572 -3.197 9 1HE MET 1 1HE MET 1 13.285 7.872 -2.643 10 2HE MET 1 2HE MET 1 12.797 8.893 -1.266 11 3HE MET 1 3HE MET 1 12.206 7.218 -1.392 12 H LYS 2 H LYS 2 8.020 11.794 -4.995 13 HA LYS 2 HA LYS 2 8.095 14.376 -6.207 14 1HB LYS 2 1HB LYS 2 5.643 12.663 -5.560 15 2HB LYS 2 2HB LYS 2 5.696 14.059 -6.639 16 1HG LYS 2 1HG LYS 2 7.352 12.824 -8.084 17 2HG LYS 2 2HG LYS 2 7.109 11.391 -7.061 18 1HD LYS 2 1HD LYS 2 4.620 11.590 -7.515 19 2HD LYS 2 2HD LYS 2 4.973 12.902 -8.645 20 1HE LYS 2 1HE LYS 2 6.373 11.303 -9.991 21 2HE LYS 2 2HE LYS 2 5.916 10.009 -8.866 22 1HZ LYS 2 1HZ LYS 2 3.596 10.502 -9.444 23 2HZ LYS 2 2HZ LYS 2 4.489 9.968 -10.730 24 3HZ LYS 2 3HZ LYS 2 4.115 11.565 -10.580 25 H LYS 3 H LYS 3 6.276 13.132 -3.458 26 HA LYS 3 HA LYS 3 6.172 15.792 -2.109 27 1HB LYS 3 1HB LYS 3 4.106 13.604 -2.466 28 2HB LYS 3 2HB LYS 3 4.097 14.551 -0.982 29 1HG LYS 3 1HG LYS 3 2.511 15.405 -2.533 30 2HG LYS 3 2HG LYS 3 3.738 16.621 -2.161 31 1HD LYS 3 1HD LYS 3 4.777 16.391 -4.297 32 2HD LYS 3 2HD LYS 3 3.896 14.898 -4.669 33 1HE LYS 3 1HE LYS 3 2.663 17.684 -4.392 34 2HE LYS 3 2HE LYS 3 3.052 16.861 -5.913 35 1HZ LYS 3 1HZ LYS 3 1.544 15.089 -5.206 36 2HZ LYS 3 2HZ LYS 3 1.069 16.013 -3.933 37 3HZ LYS 3 3HZ LYS 3 0.791 16.537 -5.470 38 H ILE 4 H ILE 4 5.643 15.034 0.363 39 HA ILE 4 HA ILE 4 8.021 14.146 1.421 40 HB ILE 4 HB ILE 4 5.248 14.206 2.642 41 1HG1 ILE 4 1HG1 ILE 4 7.676 16.019 2.965 42 2HG1 ILE 4 2HG1 ILE 4 6.329 16.343 1.869 43 1HG2 ILE 4 1HG2 ILE 4 6.585 12.555 3.916 44 2HG2 ILE 4 2HG2 ILE 4 6.372 14.024 4.848 45 3HG2 ILE 4 3HG2 ILE 4 7.920 13.722 4.032 46 1HD1 ILE 4 1HD1 ILE 4 4.758 16.313 3.823 47 2HD1 ILE 4 2HD1 ILE 4 5.956 17.621 3.836 48 3HD1 ILE 4 3HD1 ILE 4 6.175 16.227 4.899 49 HA PRO 5 HA PRO 5 6.180 9.659 2.001 50 1HB PRO 5 1HB PRO 5 4.867 9.654 -0.739 51 2HB PRO 5 2HB PRO 5 4.561 8.523 0.614 52 1HG PRO 5 1HG PRO 5 2.975 10.665 0.263 53 2HG PRO 5 2HG PRO 5 3.576 10.323 1.903 54 1HD PRO 5 1HD PRO 5 4.506 12.364 -0.091 55 2HD PRO 5 2HD PRO 5 4.305 12.527 1.673 56 H GLN 6 H GLN 6 7.860 8.326 1.730 57 HA GLN 6 HA GLN 6 9.810 9.062 -0.200 58 1HB GLN 6 1HB GLN 6 9.972 6.894 1.874 59 2HB GLN 6 2HB GLN 6 11.329 7.548 0.983 60 1HG GLN 6 1HG GLN 6 11.332 9.565 2.187 61 2HG GLN 6 2HG GLN 6 9.658 9.401 2.722 62 1HE2 GLN 6 1HE2 GLN 6 9.356 8.717 4.806 63 2HE2 GLN 6 2HE2 GLN 6 10.425 7.622 5.656 64 H ILE 7 H ILE 7 7.761 8.172 -1.635 65 HA ILE 7 HA ILE 7 7.681 5.259 -1.929 66 HB ILE 7 HB ILE 7 6.031 7.542 -2.989 67 1HG1 ILE 7 1HG1 ILE 7 5.535 5.124 -1.231 68 2HG1 ILE 7 2HG1 ILE 7 5.690 6.802 -0.697 69 1HG2 ILE 7 1HG2 ILE 7 4.588 5.986 -4.207 70 2HG2 ILE 7 2HG2 ILE 7 5.655 4.632 -3.809 71 3HG2 ILE 7 3HG2 ILE 7 6.185 5.930 -4.896 72 1HD1 ILE 7 1HD1 ILE 7 3.652 7.343 -2.104 73 2HD1 ILE 7 2HD1 ILE 7 3.458 5.590 -2.362 74 3HD1 ILE 7 3HD1 ILE 7 3.366 6.253 -0.729 75 H SER 8 H SER 8 8.593 4.061 -3.348 76 HA SER 8 HA SER 8 9.844 5.150 -5.819 77 1HB SER 8 1HB SER 8 11.048 2.962 -5.794 78 2HB SER 8 2HB SER 8 11.337 3.903 -4.325 79 HG SER 8 HG SER 8 9.945 2.589 -3.207 80 H ASP 9 H ASP 9 9.702 3.285 -7.617 81 HA ASP 9 HA ASP 9 7.138 3.266 -8.619 82 1HB ASP 9 1HB ASP 9 9.059 2.844 -9.996 83 2HB ASP 9 2HB ASP 9 9.385 1.301 -9.183 84 H ALA 10 H ALA 10 8.662 0.306 -7.191 85 HA ALA 10 HA ALA 10 6.399 -1.324 -7.363 86 1HB ALA 10 1HB ALA 10 8.644 -2.164 -6.823 87 2HB ALA 10 2HB ALA 10 8.571 -1.385 -5.224 88 3HB ALA 10 3HB ALA 10 7.446 -2.702 -5.629 89 H GLU 11 H GLU 11 7.397 0.785 -4.663 90 HA GLU 11 HA GLU 11 5.294 0.204 -2.850 91 1HB GLU 11 1HB GLU 11 6.921 2.720 -3.383 92 2HB GLU 11 2HB GLU 11 5.782 2.597 -2.050 93 1HG GLU 11 1HG GLU 11 7.048 0.590 -1.200 94 2HG GLU 11 2HG GLU 11 8.200 0.770 -2.530 95 H LEU 12 H LEU 12 5.511 2.636 -5.507 96 HA LEU 12 HA LEU 12 2.935 3.688 -5.022 97 1HB LEU 12 1HB LEU 12 4.706 4.848 -6.287 98 2HB LEU 12 2HB LEU 12 4.594 3.671 -7.559 99 HG LEU 12 HG LEU 12 2.138 4.407 -7.861 100 1HD1 LEU 12 1HD1 LEU 12 3.087 6.684 -6.056 101 2HD1 LEU 12 2HD1 LEU 12 1.912 5.460 -5.575 102 3HD1 LEU 12 3HD1 LEU 12 1.520 6.581 -6.889 103 1HD2 LEU 12 1HD2 LEU 12 2.810 6.470 -9.066 104 2HD2 LEU 12 2HD2 LEU 12 4.391 6.418 -8.258 105 3HD2 LEU 12 3HD2 LEU 12 3.914 5.122 -9.371 106 H GLU 13 H GLU 13 3.999 1.031 -7.212 107 HA GLU 13 HA GLU 13 1.495 0.517 -8.448 108 1HB GLU 13 1HB GLU 13 3.623 -1.481 -7.527 109 2HB GLU 13 2HB GLU 13 2.288 -1.857 -8.610 110 1HG GLU 13 1HG GLU 13 4.519 0.135 -9.221 111 2HG GLU 13 2HG GLU 13 4.371 -1.500 -9.860 112 H VAL 14 H VAL 14 2.866 -0.827 -5.435 113 HA VAL 14 HA VAL 14 0.602 -2.349 -4.634 114 HB VAL 14 HB VAL 14 2.884 -1.009 -3.115 115 1HG1 VAL 14 1HG1 VAL 14 2.257 -2.546 -1.211 116 2HG1 VAL 14 2HG1 VAL 14 1.201 -1.148 -1.443 117 3HG1 VAL 14 3HG1 VAL 14 0.674 -2.742 -2.002 118 1HG2 VAL 14 1HG2 VAL 14 2.327 -3.875 -3.843 119 2HG2 VAL 14 2HG2 VAL 14 3.464 -2.816 -4.682 120 3HG2 VAL 14 3HG2 VAL 14 3.759 -3.270 -2.989 121 H MET 15 H MET 15 1.516 1.034 -3.813 122 HA MET 15 HA MET 15 -0.504 1.685 -2.087 123 1HB MET 15 1HB MET 15 0.767 3.423 -4.192 124 2HB MET 15 2HB MET 15 -0.410 3.950 -2.993 125 1HG MET 15 1HG MET 15 1.557 2.391 -1.658 126 2HG MET 15 2HG MET 15 2.327 3.618 -2.604 127 1HE MET 15 1HE MET 15 -1.326 3.994 -1.026 128 2HE MET 15 2HE MET 15 -0.880 4.541 0.593 129 3HE MET 15 3HE MET 15 -0.465 2.887 0.054 130 H LYS 16 H LYS 16 -0.720 1.738 -5.689 131 HA LYS 16 HA LYS 16 -3.336 2.811 -5.799 132 1HB LYS 16 1HB LYS 16 -1.534 2.193 -7.671 133 2HB LYS 16 2HB LYS 16 -2.523 0.736 -7.832 134 1HG LYS 16 1HG LYS 16 -4.543 2.162 -8.165 135 2HG LYS 16 2HG LYS 16 -3.560 3.616 -7.900 136 1HD LYS 16 1HD LYS 16 -2.181 3.058 -9.898 137 2HD LYS 16 2HD LYS 16 -3.180 1.624 -10.176 138 1HE LYS 16 1HE LYS 16 -3.904 3.443 -11.639 139 2HE LYS 16 2HE LYS 16 -5.186 3.079 -10.474 140 1HZ LYS 16 1HZ LYS 16 -4.802 5.429 -10.765 141 2HZ LYS 16 2HZ LYS 16 -3.252 5.282 -10.232 142 3HZ LYS 16 3HZ LYS 16 -4.513 4.988 -9.210 143 H VAL 17 H VAL 17 -2.355 -0.624 -5.251 144 HA VAL 17 HA VAL 17 -5.070 -1.638 -5.432 145 HB VAL 17 HB VAL 17 -2.429 -2.629 -4.383 146 1HG1 VAL 17 1HG1 VAL 17 -5.076 -3.793 -3.478 147 2HG1 VAL 17 2HG1 VAL 17 -3.503 -4.615 -3.387 148 3HG1 VAL 17 3HG1 VAL 17 -3.760 -3.157 -2.452 149 1HG2 VAL 17 1HG2 VAL 17 -2.943 -4.536 -5.767 150 2HG2 VAL 17 2HG2 VAL 17 -3.243 -3.064 -6.705 151 3HG2 VAL 17 3HG2 VAL 17 -4.609 -3.974 -6.014 152 H ILE 18 H ILE 18 -3.015 -0.461 -2.771 153 HA ILE 18 HA ILE 18 -4.913 -0.829 -0.689 154 HB ILE 18 HB ILE 18 -2.651 1.209 -0.859 155 1HG1 ILE 18 1HG1 ILE 18 -2.740 -1.755 -0.215 156 2HG1 ILE 18 2HG1 ILE 18 -1.660 -0.875 -1.279 157 1HG2 ILE 18 1HG2 ILE 18 -2.683 1.164 1.593 158 2HG2 ILE 18 2HG2 ILE 18 -4.211 1.735 0.954 159 3HG2 ILE 18 3HG2 ILE 18 -4.086 0.078 1.563 160 1HD1 ILE 18 1HD1 ILE 18 -0.607 0.197 0.722 161 2HD1 ILE 18 2HD1 ILE 18 -1.596 -0.906 1.732 162 3HD1 ILE 18 3HD1 ILE 18 -0.406 -1.563 0.605 163 H TRP 19 H TRP 19 -4.486 1.848 -2.987 164 HA TRP 19 HA TRP 19 -6.419 3.573 -1.760 165 1HB TRP 19 1HB TRP 19 -4.609 3.437 -4.170 166 2HB TRP 19 2HB TRP 19 -5.841 4.593 -4.215 167 HD1 TRP 19 HD1 TRP 19 -5.402 5.267 -0.891 168 HE1 TRP 19 HE1 TRP 19 -3.359 6.673 -0.211 169 HE3 TRP 19 HE3 TRP 19 -2.538 4.791 -5.150 170 HZ2 TRP 19 HZ2 TRP 19 -0.827 7.262 -1.219 171 HZ3 TRP 19 HZ3 TRP 19 -0.244 5.674 -5.143 172 HH2 TRP 19 HH2 TRP 19 0.595 7.035 -3.231 173 H LYS 20 H LYS 20 -6.601 1.141 -4.370 174 HA LYS 20 HA LYS 20 -9.122 2.068 -5.397 175 1HB LYS 20 1HB LYS 20 -7.828 -0.688 -5.269 176 2HB LYS 20 2HB LYS 20 -9.384 -0.416 -6.059 177 1HG LYS 20 1HG LYS 20 -6.971 1.246 -6.792 178 2HG LYS 20 2HG LYS 20 -7.208 -0.369 -7.485 179 1HD LYS 20 1HD LYS 20 -9.373 0.311 -8.435 180 2HD LYS 20 2HD LYS 20 -9.273 1.886 -7.640 181 1HE LYS 20 1HE LYS 20 -8.669 2.106 -9.990 182 2HE LYS 20 2HE LYS 20 -7.279 2.480 -8.958 183 1HZ LYS 20 1HZ LYS 20 -6.440 0.288 -9.400 184 2HZ LYS 20 2HZ LYS 20 -6.704 1.084 -10.818 185 3HZ LYS 20 3HZ LYS 20 -7.755 -0.083 -10.322 186 H HIS 21 H HIS 21 -8.316 -0.376 -2.929 187 HA HIS 21 HA HIS 21 -11.064 -0.701 -2.044 188 1HB HIS 21 1HB HIS 21 -8.433 -1.382 -0.660 189 2HB HIS 21 2HB HIS 21 -10.050 -1.938 -0.184 190 HD2 HIS 21 HD2 HIS 21 -9.655 -4.575 -0.528 191 HE1 HIS 21 HE1 HIS 21 -8.405 -4.422 -4.568 192 HE2 HIS 21 HE2 HIS 21 -8.919 -5.989 -2.618 193 H SER 22 H SER 22 -11.978 0.169 0.041 194 HA SER 22 HA SER 22 -11.498 2.879 0.471 195 1HB SER 22 1HB SER 22 -12.587 0.977 2.591 196 2HB SER 22 2HB SER 22 -13.040 2.662 2.278 197 HG SER 22 HG SER 22 -13.852 1.917 0.228 198 H SER 23 H SER 23 -10.409 0.107 2.392 199 HA SER 23 HA SER 23 -7.837 1.355 2.730 200 1HB SER 23 1HB SER 23 -9.350 0.299 5.177 201 2HB SER 23 2HB SER 23 -7.624 0.716 5.139 202 HG SER 23 HG SER 23 -9.132 2.716 4.094 203 H ILE 24 H ILE 24 -6.818 -1.166 4.089 204 HA ILE 24 HA ILE 24 -8.265 -3.275 2.641 205 HB ILE 24 HB ILE 24 -6.774 -2.203 0.968 206 1HG1 ILE 24 1HG1 ILE 24 -5.910 -5.050 1.462 207 2HG1 ILE 24 2HG1 ILE 24 -7.555 -4.619 0.946 208 1HG2 ILE 24 1HG2 ILE 24 -4.406 -2.422 1.076 209 2HG2 ILE 24 2HG2 ILE 24 -4.474 -3.426 2.539 210 3HG2 ILE 24 3HG2 ILE 24 -4.921 -1.711 2.607 211 1HD1 ILE 24 1HD1 ILE 24 -5.032 -3.938 -0.601 212 2HD1 ILE 24 2HD1 ILE 24 -6.214 -5.190 -1.006 213 3HD1 ILE 24 3HD1 ILE 24 -6.671 -3.476 -1.051 214 H ASN 25 H ASN 25 -8.141 -5.288 3.558 215 HA ASN 25 HA ASN 25 -6.638 -5.397 6.106 216 1HB ASN 25 1HB ASN 25 -7.832 -7.231 6.744 217 2HB ASN 25 2HB ASN 25 -9.009 -6.152 5.999 218 1HD2 ASN 25 1HD2 ASN 25 -10.560 -7.551 5.211 219 2HD2 ASN 25 2HD2 ASN 25 -10.221 -8.961 4.231 220 H THR 26 H THR 26 -5.223 -7.271 6.597 221 HA THR 26 HA THR 26 -3.178 -7.386 4.808 222 HB THR 26 HB THR 26 -3.442 -9.776 6.564 223 HG1 THR 26 HG1 THR 26 -3.504 -7.127 7.612 224 1HG2 THR 26 1HG2 THR 26 -1.302 -8.815 5.471 225 2HG2 THR 26 2HG2 THR 26 -1.440 -7.486 6.644 226 3HG2 THR 26 3HG2 THR 26 -1.220 -9.139 7.217 227 H ASN 27 H ASN 27 -5.847 -9.813 5.045 228 HA ASN 27 HA ASN 27 -4.610 -11.682 3.230 229 1HB ASN 27 1HB ASN 27 -6.408 -12.503 4.556 230 2HB ASN 27 2HB ASN 27 -7.502 -11.210 4.054 231 1HD2 ASN 27 1HD2 ASN 27 -8.564 -11.319 2.014 232 2HD2 ASN 27 2HD2 ASN 27 -8.526 -12.786 1.056 233 H GLU 28 H GLU 28 -6.883 -8.931 2.737 234 HA GLU 28 HA GLU 28 -7.281 -9.336 -0.071 235 1HB GLU 28 1HB GLU 28 -7.341 -6.857 1.684 236 2HB GLU 28 2HB GLU 28 -7.874 -6.894 -0.005 237 1HG GLU 28 1HG GLU 28 -9.634 -8.468 0.517 238 2HG GLU 28 2HG GLU 28 -9.094 -8.624 2.185 239 H VAL 29 H VAL 29 -4.954 -7.365 1.840 240 HA VAL 29 HA VAL 29 -3.700 -6.242 -0.418 241 HB VAL 29 HB VAL 29 -3.513 -5.830 2.286 242 1HG1 VAL 29 1HG1 VAL 29 -1.142 -5.944 2.906 243 2HG1 VAL 29 2HG1 VAL 29 -1.787 -7.566 2.732 244 3HG1 VAL 29 3HG1 VAL 29 -0.774 -6.881 1.449 245 1HG2 VAL 29 1HG2 VAL 29 -1.980 -4.067 1.724 246 2HG2 VAL 29 2HG2 VAL 29 -1.527 -4.883 0.201 247 3HG2 VAL 29 3HG2 VAL 29 -3.159 -4.236 0.427 248 H ILE 30 H ILE 30 -2.673 -9.166 1.479 249 HA ILE 30 HA ILE 30 -0.484 -9.668 -0.255 250 HB ILE 30 HB ILE 30 -2.001 -11.641 1.491 251 1HG1 ILE 30 1HG1 ILE 30 0.239 -9.647 1.914 252 2HG1 ILE 30 2HG1 ILE 30 -1.133 -10.005 2.941 253 1HG2 ILE 30 1HG2 ILE 30 -0.651 -12.774 -0.297 254 2HG2 ILE 30 2HG2 ILE 30 0.011 -13.051 1.302 255 3HG2 ILE 30 3HG2 ILE 30 0.776 -11.859 0.232 256 1HD1 ILE 30 1HD1 ILE 30 -0.060 -12.181 3.556 257 2HD1 ILE 30 2HD1 ILE 30 0.850 -10.731 4.032 258 3HD1 ILE 30 3HD1 ILE 30 1.380 -11.666 2.630 259 H LYS 31 H LYS 31 -3.867 -10.865 -0.434 260 HA LYS 31 HA LYS 31 -3.465 -12.517 -2.700 261 1HB LYS 31 1HB LYS 31 -5.890 -10.966 -1.726 262 2HB LYS 31 2HB LYS 31 -5.955 -12.106 -3.073 263 1HG LYS 31 1HG LYS 31 -4.895 -12.933 -0.336 264 2HG LYS 31 2HG LYS 31 -6.614 -12.962 -0.735 265 1HD LYS 31 1HD LYS 31 -6.248 -14.556 -2.538 266 2HD LYS 31 2HD LYS 31 -4.492 -14.407 -2.387 267 1HE LYS 31 1HE LYS 31 -5.291 -16.480 -1.343 268 2HE LYS 31 2HE LYS 31 -4.526 -15.412 -0.156 269 1HZ LYS 31 1HZ LYS 31 -6.573 -16.404 0.614 270 2HZ LYS 31 2HZ LYS 31 -7.426 -15.635 -0.568 271 3HZ LYS 31 3HZ LYS 31 -6.657 -14.765 0.610 272 H GLU 32 H GLU 32 -4.695 -9.112 -2.660 273 HA GLU 32 HA GLU 32 -4.768 -8.739 -5.451 274 1HB GLU 32 1HB GLU 32 -4.481 -6.861 -3.100 275 2HB GLU 32 2HB GLU 32 -4.172 -6.276 -4.725 276 1HG GLU 32 1HG GLU 32 -6.424 -5.816 -3.931 277 2HG GLU 32 2HG GLU 32 -6.287 -6.718 -5.430 278 H LEU 33 H LEU 33 -2.015 -7.998 -3.205 279 HA LEU 33 HA LEU 33 -0.319 -7.038 -5.295 280 1HB LEU 33 1HB LEU 33 0.196 -8.063 -2.520 281 2HB LEU 33 2HB LEU 33 1.514 -7.766 -3.631 282 HG LEU 33 HG LEU 33 1.120 -5.597 -3.667 283 1HD1 LEU 33 1HD1 LEU 33 -1.289 -5.366 -4.099 284 2HD1 LEU 33 2HD1 LEU 33 -0.790 -4.276 -2.816 285 3HD1 LEU 33 3HD1 LEU 33 -1.635 -5.763 -2.401 286 1HD2 LEU 33 1HD2 LEU 33 0.432 -6.447 -0.848 287 2HD2 LEU 33 2HD2 LEU 33 1.003 -4.827 -1.267 288 3HD2 LEU 33 3HD2 LEU 33 2.052 -6.213 -1.561 289 H SER 34 H SER 34 -0.600 -10.368 -3.893 290 HA SER 34 HA SER 34 1.360 -11.547 -5.554 291 1HB SER 34 1HB SER 34 -1.192 -12.829 -4.489 292 2HB SER 34 2HB SER 34 0.260 -13.667 -5.068 293 HG SER 34 HG SER 34 0.048 -11.950 -2.816 294 H LYS 35 H LYS 35 -2.138 -11.009 -6.145 295 HA LYS 35 HA LYS 35 -2.286 -12.422 -8.631 296 1HB LYS 35 1HB LYS 35 -3.914 -10.170 -7.396 297 2HB LYS 35 2HB LYS 35 -4.330 -10.912 -8.945 298 1HG LYS 35 1HG LYS 35 -4.830 -13.002 -7.988 299 2HG LYS 35 2HG LYS 35 -3.918 -12.669 -6.515 300 1HD LYS 35 1HD LYS 35 -6.330 -12.606 -6.080 301 2HD LYS 35 2HD LYS 35 -5.562 -11.050 -5.753 302 1HE LYS 35 1HE LYS 35 -6.376 -10.167 -7.924 303 2HE LYS 35 2HE LYS 35 -7.162 -11.724 -8.256 304 1HZ LYS 35 1HZ LYS 35 -7.729 -9.959 -5.969 305 2HZ LYS 35 2HZ LYS 35 -8.497 -11.377 -6.308 306 3HZ LYS 35 3HZ LYS 35 -8.654 -10.093 -7.329 307 H THR 36 H THR 36 -1.747 -8.958 -7.868 308 HA THR 36 HA THR 36 -1.620 -8.213 -10.660 309 HB THR 36 HB THR 36 -0.874 -6.002 -9.755 310 HG1 THR 36 HG1 THR 36 -1.378 -7.228 -7.242 311 1HG2 THR 36 1HG2 THR 36 -3.053 -5.501 -8.690 312 2HG2 THR 36 2HG2 THR 36 -3.255 -6.507 -10.138 313 3HG2 THR 36 3HG2 THR 36 -3.391 -7.235 -8.527 314 H SER 37 H SER 37 0.940 -9.022 -8.248 315 HA SER 37 HA SER 37 2.797 -9.266 -10.522 316 1HB SER 37 1HB SER 37 3.209 -7.362 -8.202 317 2HB SER 37 2HB SER 37 4.534 -7.925 -9.246 318 HG SER 37 HG SER 37 2.331 -7.022 -10.631 319 H THR 38 H THR 38 4.526 -10.682 -10.161 320 HA THR 38 HA THR 38 3.984 -12.752 -8.242 321 HB THR 38 HB THR 38 6.085 -13.688 -9.305 322 HG1 THR 38 HG1 THR 38 7.028 -11.681 -9.743 323 1HG2 THR 38 1HG2 THR 38 3.843 -14.135 -10.290 324 2HG2 THR 38 2HG2 THR 38 3.978 -12.661 -11.273 325 3HG2 THR 38 3HG2 THR 38 5.104 -14.004 -11.532 326 H TRP 39 H TRP 39 4.115 -11.180 -6.382 327 HA TRP 39 HA TRP 39 6.901 -11.013 -5.279 328 1HB TRP 39 1HB TRP 39 4.417 -9.372 -4.652 329 2HB TRP 39 2HB TRP 39 5.966 -9.207 -3.850 330 HD1 TRP 39 HD1 TRP 39 7.741 -9.281 -6.583 331 HE1 TRP 39 HE1 TRP 39 7.811 -7.175 -8.067 332 HE3 TRP 39 HE3 TRP 39 3.457 -6.963 -4.969 333 HZ2 TRP 39 HZ2 TRP 39 6.242 -4.834 -8.505 334 HZ3 TRP 39 HZ3 TRP 39 2.739 -4.828 -6.026 335 HH2 TRP 39 HH2 TRP 39 4.131 -3.761 -7.765 336 H SER 40 H SER 40 7.280 -12.260 -3.484 337 HA SER 40 HA SER 40 5.279 -14.229 -2.786 338 1HB SER 40 1HB SER 40 6.981 -15.100 -1.287 339 2HB SER 40 2HB SER 40 7.781 -14.622 -2.786 340 HG SER 40 HG SER 40 8.477 -12.731 -1.752 341 HA PRO 41 HA PRO 41 3.374 -12.265 0.775 342 1HB PRO 41 1HB PRO 41 4.390 -14.630 2.375 343 2HB PRO 41 2HB PRO 41 2.797 -13.821 2.475 344 1HG PRO 41 1HG PRO 41 2.984 -16.088 1.035 345 2HG PRO 41 2HG PRO 41 2.175 -14.679 0.294 346 1HD PRO 41 1HD PRO 41 5.029 -15.603 -0.128 347 2HD PRO 41 2HD PRO 41 3.803 -15.128 -1.345 348 H LYS 42 H LYS 42 6.707 -13.568 1.170 349 HA LYS 42 HA LYS 42 7.417 -11.887 3.400 350 1HB LYS 42 1HB LYS 42 8.614 -13.976 2.778 351 2HB LYS 42 2HB LYS 42 9.206 -13.189 1.303 352 1HG LYS 42 1HG LYS 42 10.333 -11.455 2.708 353 2HG LYS 42 2HG LYS 42 9.739 -12.270 4.168 354 1HD LYS 42 1HD LYS 42 10.968 -14.340 3.478 355 2HD LYS 42 2HD LYS 42 11.610 -13.478 2.071 356 1HE LYS 42 1HE LYS 42 12.079 -12.736 5.004 357 2HE LYS 42 2HE LYS 42 13.237 -13.551 3.941 358 1HZ LYS 42 1HZ LYS 42 12.182 -10.837 3.562 359 2HZ LYS 42 2HZ LYS 42 13.692 -11.237 4.077 360 3HZ LYS 42 3HZ LYS 42 13.223 -11.606 2.541 361 H THR 43 H THR 43 7.943 -11.684 -0.165 362 HA THR 43 HA THR 43 9.246 -9.196 -0.280 363 HB THR 43 HB THR 43 7.146 -10.249 -2.217 364 HG1 THR 43 HG1 THR 43 9.907 -10.846 -2.099 365 1HG2 THR 43 1HG2 THR 43 9.568 -8.467 -2.669 366 2HG2 THR 43 2HG2 THR 43 7.857 -7.994 -2.774 367 3HG2 THR 43 3HG2 THR 43 8.527 -9.144 -3.941 368 H ILE 44 H ILE 44 5.762 -9.961 -0.332 369 HA ILE 44 HA ILE 44 4.749 -7.333 -0.540 370 HB ILE 44 HB ILE 44 3.625 -9.955 0.458 371 1HG1 ILE 44 1HG1 ILE 44 3.014 -8.268 -2.004 372 2HG1 ILE 44 2HG1 ILE 44 4.262 -9.502 -1.995 373 1HG2 ILE 44 1HG2 ILE 44 2.385 -7.198 0.448 374 2HG2 ILE 44 2HG2 ILE 44 1.385 -8.634 0.205 375 3HG2 ILE 44 3HG2 ILE 44 2.325 -8.459 1.691 376 1HD1 ILE 44 1HD1 ILE 44 2.276 -10.420 -2.974 377 2HD1 ILE 44 2HD1 ILE 44 1.316 -10.043 -1.542 378 3HD1 ILE 44 3HD1 ILE 44 2.619 -11.247 -1.445 379 H GLN 45 H GLN 45 5.196 -9.354 2.438 380 HA GLN 45 HA GLN 45 4.435 -7.326 4.274 381 1HB GLN 45 1HB GLN 45 6.288 -9.703 4.495 382 2HB GLN 45 2HB GLN 45 5.894 -8.652 5.868 383 1HG GLN 45 1HG GLN 45 3.536 -9.103 5.702 384 2HG GLN 45 2HG GLN 45 3.708 -9.940 4.165 385 1HE2 GLN 45 1HE2 GLN 45 5.121 -11.877 4.143 386 2HE2 GLN 45 2HE2 GLN 45 5.061 -12.958 5.547 387 H THR 46 H THR 46 7.601 -7.970 2.736 388 HA THR 46 HA THR 46 9.006 -5.941 4.154 389 HB THR 46 HB THR 46 9.585 -6.871 1.313 390 HG1 THR 46 HG1 THR 46 9.415 -8.630 2.770 391 1HG2 THR 46 1HG2 THR 46 10.897 -4.898 2.031 392 2HG2 THR 46 2HG2 THR 46 11.910 -6.350 1.940 393 3HG2 THR 46 3HG2 THR 46 11.365 -5.752 3.519 394 H MET 47 H MET 47 7.241 -5.793 0.980 395 HA MET 47 HA MET 47 7.755 -3.044 0.488 396 1HB MET 47 1HB MET 47 5.507 -4.880 -0.410 397 2HB MET 47 2HB MET 47 5.670 -3.203 -0.953 398 1HG MET 47 1HG MET 47 7.889 -3.631 -1.843 399 2HG MET 47 2HG MET 47 7.850 -5.301 -1.272 400 1HE MET 47 1HE MET 47 7.812 -5.487 -5.192 401 2HE MET 47 2HE MET 47 8.600 -4.254 -4.183 402 3HE MET 47 3HE MET 47 8.679 -5.965 -3.716 403 H LEU 48 H LEU 48 5.087 -4.593 2.315 404 HA LEU 48 HA LEU 48 3.616 -2.199 2.845 405 1HB LEU 48 1HB LEU 48 3.887 -4.853 4.302 406 2HB LEU 48 2HB LEU 48 2.755 -3.607 4.815 407 HG LEU 48 HG LEU 48 2.739 -4.526 1.916 408 1HD1 LEU 48 1HD1 LEU 48 1.170 -6.284 2.400 409 2HD1 LEU 48 2HD1 LEU 48 1.278 -5.987 4.145 410 3HD1 LEU 48 3HD1 LEU 48 2.672 -6.608 3.249 411 1HD2 LEU 48 1HD2 LEU 48 0.518 -3.639 3.802 412 2HD2 LEU 48 2HD2 LEU 48 1.317 -2.588 2.624 413 3HD2 LEU 48 3HD2 LEU 48 0.360 -3.980 2.075 414 H LEU 49 H LEU 49 6.010 -3.966 4.849 415 HA LEU 49 HA LEU 49 6.269 -2.131 6.958 416 1HB LEU 49 1HB LEU 49 7.184 -4.358 6.958 417 2HB LEU 49 2HB LEU 49 8.353 -3.962 5.701 418 HG LEU 49 HG LEU 49 8.375 -2.253 8.186 419 1HD1 LEU 49 1HD1 LEU 49 8.096 -4.500 9.120 420 2HD1 LEU 49 2HD1 LEU 49 9.745 -3.914 9.394 421 3HD1 LEU 49 3HD1 LEU 49 9.431 -5.107 8.113 422 1HD2 LEU 49 1HD2 LEU 49 10.028 -1.837 6.354 423 2HD2 LEU 49 2HD2 LEU 49 10.570 -3.523 6.474 424 3HD2 LEU 49 3HD2 LEU 49 10.833 -2.403 7.820 425 H ARG 50 H ARG 50 7.947 -2.187 3.774 426 HA ARG 50 HA ARG 50 9.580 0.072 4.222 427 1HB ARG 50 1HB ARG 50 8.440 -1.162 1.696 428 2HB ARG 50 2HB ARG 50 9.454 0.264 1.657 429 1HG ARG 50 1HG ARG 50 10.342 -2.319 2.993 430 2HG ARG 50 2HG ARG 50 10.600 -1.976 1.280 431 1HD ARG 50 1HD ARG 50 11.863 0.066 1.860 432 2HD ARG 50 2HD ARG 50 11.696 -0.284 3.583 433 HE ARG 50 HE ARG 50 13.521 -1.471 1.686 434 1HH1 ARG 50 1HH1 ARG 50 11.723 -2.172 4.642 435 2HH1 ARG 50 2HH1 ARG 50 12.843 -3.382 5.210 436 1HH2 ARG 50 1HH2 ARG 50 14.978 -3.066 2.394 437 2HH2 ARG 50 2HH2 ARG 50 14.719 -3.908 3.896 438 H LEU 51 H LEU 51 6.367 0.000 2.448 439 HA LEU 51 HA LEU 51 6.099 2.745 2.189 440 1HB LEU 51 1HB LEU 51 4.127 0.504 2.480 441 2HB LEU 51 2HB LEU 51 3.518 2.150 2.527 442 HG LEU 51 HG LEU 51 5.325 1.289 0.268 443 1HD1 LEU 51 1HD1 LEU 51 2.279 1.189 0.358 444 2HD1 LEU 51 2HD1 LEU 51 3.302 0.903 -1.067 445 3HD1 LEU 51 3HD1 LEU 51 3.363 -0.221 0.297 446 1HD2 LEU 51 1HD2 LEU 51 3.262 3.512 0.689 447 2HD2 LEU 51 2HD2 LEU 51 5.014 3.743 0.568 448 3HD2 LEU 51 3HD2 LEU 51 4.077 3.223 -0.838 449 H ILE 52 H ILE 52 5.470 0.899 5.164 450 HA ILE 52 HA ILE 52 4.248 3.094 6.552 451 HB ILE 52 HB ILE 52 5.668 0.591 7.514 452 1HG1 ILE 52 1HG1 ILE 52 2.744 1.373 7.634 453 2HG1 ILE 52 2HG1 ILE 52 3.409 0.577 6.209 454 1HG2 ILE 52 1HG2 ILE 52 4.642 1.095 9.749 455 2HG2 ILE 52 2HG2 ILE 52 5.878 2.264 9.306 456 3HG2 ILE 52 3HG2 ILE 52 4.163 2.691 9.142 457 1HD1 ILE 52 1HD1 ILE 52 4.091 -1.370 7.471 458 2HD1 ILE 52 2HD1 ILE 52 2.361 -1.053 7.674 459 3HD1 ILE 52 3HD1 ILE 52 3.492 -0.655 8.981 460 H LYS 53 H LYS 53 7.673 1.927 6.597 461 HA LYS 53 HA LYS 53 8.548 4.137 8.242 462 1HB LYS 53 1HB LYS 53 10.085 2.180 6.493 463 2HB LYS 53 2HB LYS 53 10.823 3.344 7.614 464 1HG LYS 53 1HG LYS 53 9.564 2.344 9.502 465 2HG LYS 53 2HG LYS 53 8.845 1.156 8.402 466 1HD LYS 53 1HD LYS 53 11.110 0.284 7.861 467 2HD LYS 53 2HD LYS 53 11.832 1.487 8.952 468 1HE LYS 53 1HE LYS 53 10.547 0.506 10.861 469 2HE LYS 53 2HE LYS 53 9.877 -0.720 9.768 470 1HZ LYS 53 1HZ LYS 53 11.748 -1.538 10.979 471 2HZ LYS 53 2HZ LYS 53 12.722 -0.342 10.399 472 3HZ LYS 53 3HZ LYS 53 12.114 -1.481 9.374 473 H LYS 54 H LYS 54 8.367 3.541 4.794 474 HA LYS 54 HA LYS 54 9.894 5.704 3.869 475 1HB LYS 54 1HB LYS 54 8.061 3.695 2.563 476 2HB LYS 54 2HB LYS 54 8.929 4.882 1.658 477 1HG LYS 54 1HG LYS 54 10.369 2.961 3.518 478 2HG LYS 54 2HG LYS 54 10.044 2.625 1.812 479 1HD LYS 54 1HD LYS 54 11.246 4.707 1.160 480 2HD LYS 54 2HD LYS 54 11.721 4.960 2.846 481 1HE LYS 54 1HE LYS 54 12.428 2.536 1.129 482 2HE LYS 54 2HE LYS 54 13.505 3.882 1.531 483 1HZ LYS 54 1HZ LYS 54 13.879 2.025 2.957 484 2HZ LYS 54 2HZ LYS 54 12.315 2.030 3.471 485 3HZ LYS 54 3HZ LYS 54 13.304 3.297 3.833 486 H GLY 55 H GLY 55 7.685 6.591 5.651 487 1HA GLY 55 1HA GLY 55 6.606 8.636 5.598 488 2HA GLY 55 2HA GLY 55 7.154 8.762 3.905 489 H ALA 56 H ALA 56 5.017 5.950 4.384 490 HA ALA 56 HA ALA 56 2.838 7.677 3.204 491 1HB ALA 56 1HB ALA 56 3.804 4.988 2.266 492 2HB ALA 56 2HB ALA 56 2.502 5.958 1.544 493 3HB ALA 56 3HB ALA 56 4.181 6.539 1.498 494 H LEU 57 H LEU 57 3.363 4.565 4.947 495 HA LEU 57 HA LEU 57 0.366 4.472 5.266 496 1HB LEU 57 1HB LEU 57 2.323 2.528 4.322 497 2HB LEU 57 2HB LEU 57 1.463 1.919 5.723 498 HG LEU 57 HG LEU 57 -0.702 2.411 4.673 499 1HD1 LEU 57 1HD1 LEU 57 0.023 4.208 2.994 500 2HD1 LEU 57 2HD1 LEU 57 -0.880 2.856 2.307 501 3HD1 LEU 57 3HD1 LEU 57 0.874 2.956 2.100 502 1HD2 LEU 57 1HD2 LEU 57 1.147 0.661 2.996 503 2HD2 LEU 57 2HD2 LEU 57 0.417 0.192 4.544 504 3HD2 LEU 57 3HD2 LEU 57 -0.619 0.529 3.151 505 H ASN 58 H ASN 58 -0.581 3.382 6.969 506 HA ASN 58 HA ASN 58 0.874 3.018 9.499 507 1HB ASN 58 1HB ASN 58 -0.019 5.268 9.756 508 2HB ASN 58 2HB ASN 58 -1.574 4.805 9.055 509 1HD2 ASN 58 1HD2 ASN 58 -3.118 3.612 10.358 510 2HD2 ASN 58 2HD2 ASN 58 -2.816 3.344 12.071 511 H HIS 59 H HIS 59 -0.507 1.441 10.863 512 HA HIS 59 HA HIS 59 -2.719 0.246 9.367 513 1HB HIS 59 1HB HIS 59 -1.959 -1.953 9.340 514 2HB HIS 59 2HB HIS 59 -0.555 -1.030 8.813 515 HD2 HIS 59 HD2 HIS 59 1.689 -1.432 10.317 516 HE1 HIS 59 HE1 HIS 59 -0.142 -3.774 13.333 517 HE2 HIS 59 HE2 HIS 59 2.094 -2.920 12.446 518 H HIS 60 H HIS 60 -4.039 -1.167 10.653 519 HA HIS 60 HA HIS 60 -3.960 -0.637 13.590 520 1HB HIS 60 1HB HIS 60 -5.600 0.908 12.701 521 2HB HIS 60 2HB HIS 60 -6.281 -0.338 11.644 522 HD2 HIS 60 HD2 HIS 60 -6.281 0.604 15.467 523 HE1 HIS 60 HE1 HIS 60 -9.200 -2.386 14.779 524 HE2 HIS 60 HE2 HIS 60 -8.241 -0.792 16.522 525 H LYS 61 H LYS 61 -4.640 -2.411 14.809 526 HA LYS 61 HA LYS 61 -4.664 -5.002 13.409 527 1HB LYS 61 1HB LYS 61 -4.612 -5.925 15.714 528 2HB LYS 61 2HB LYS 61 -3.208 -4.988 15.200 529 1HG LYS 61 1HG LYS 61 -3.855 -3.086 16.559 530 2HG LYS 61 2HG LYS 61 -5.408 -3.848 16.968 531 1HD LYS 61 1HD LYS 61 -4.197 -5.690 18.113 532 2HD LYS 61 2HD LYS 61 -2.651 -4.966 17.648 533 1HE LYS 61 1HE LYS 61 -3.144 -4.408 19.964 534 2HE LYS 61 2HE LYS 61 -3.192 -2.934 18.984 535 1HZ LYS 61 1HZ LYS 61 -5.019 -3.080 20.517 536 2HZ LYS 61 2HZ LYS 61 -5.577 -3.106 18.968 537 3HZ LYS 61 3HZ LYS 61 -5.529 -4.498 19.849 538 H GLU 62 H GLU 62 -6.615 -5.446 12.461 539 HA GLU 62 HA GLU 62 -9.143 -4.798 13.882 540 1HB GLU 62 1HB GLU 62 -8.851 -4.251 11.482 541 2HB GLU 62 2HB GLU 62 -8.595 -5.971 11.133 542 1HG GLU 62 1HG GLU 62 -10.906 -6.453 11.978 543 2HG GLU 62 2HG GLU 62 -11.126 -4.722 12.292 544 H GLY 63 H GLY 63 -8.354 -6.227 15.568 545 1HA GLY 63 1HA GLY 63 -8.602 -8.110 16.830 546 2HA GLY 63 2HA GLY 63 -9.760 -8.699 15.635 547 H ARG 64 H ARG 64 -8.756 -9.624 13.628 548 HA ARG 64 HA ARG 64 -6.605 -11.556 14.411 549 1HB ARG 64 1HB ARG 64 -8.794 -12.497 13.919 550 2HB ARG 64 2HB ARG 64 -8.766 -11.783 12.296 551 1HG ARG 64 1HG ARG 64 -6.850 -13.163 11.656 552 2HG ARG 64 2HG ARG 64 -6.605 -13.677 13.335 553 1HD ARG 64 1HD ARG 64 -7.692 -15.454 12.079 554 2HD ARG 64 2HD ARG 64 -8.764 -14.809 13.347 555 HE ARG 64 HE ARG 64 -9.228 -13.432 10.878 556 1HH1 ARG 64 1HH1 ARG 64 -9.749 -16.592 12.353 557 2HH1 ARG 64 2HH1 ARG 64 -11.162 -16.970 11.406 558 1HH2 ARG 64 1HH2 ARG 64 -11.078 -13.896 9.629 559 2HH2 ARG 64 2HH2 ARG 64 -11.929 -15.404 9.823 560 H VAL 65 H VAL 65 -7.690 -9.330 11.810 561 HA VAL 65 HA VAL 65 -5.099 -9.762 10.365 562 HB VAL 65 HB VAL 65 -6.262 -8.882 8.388 563 1HG1 VAL 65 1HG1 VAL 65 -7.677 -11.299 9.587 564 2HG1 VAL 65 2HG1 VAL 65 -6.097 -11.320 8.773 565 3HG1 VAL 65 3HG1 VAL 65 -7.555 -10.880 7.866 566 1HG2 VAL 65 1HG2 VAL 65 -8.057 -7.554 9.417 567 2HG2 VAL 65 2HG2 VAL 65 -8.736 -8.767 8.325 568 3HG2 VAL 65 3HG2 VAL 65 -8.814 -9.023 10.070 569 H PHE 66 H PHE 66 -4.190 -7.740 9.420 570 HA PHE 66 HA PHE 66 -4.867 -5.392 11.128 571 1HB PHE 66 1HB PHE 66 -2.576 -4.613 10.802 572 2HB PHE 66 2HB PHE 66 -2.805 -5.959 11.895 573 HD1 PHE 66 HD1 PHE 66 -2.443 -8.396 10.889 574 HD2 PHE 66 HD2 PHE 66 -0.622 -4.733 9.513 575 HE1 PHE 66 HE1 PHE 66 -0.470 -9.664 10.126 576 HE2 PHE 66 HE2 PHE 66 1.432 -5.989 8.950 577 HZ PHE 66 HZ PHE 66 1.489 -8.464 9.172 578 H VAL 67 H VAL 67 -5.620 -3.714 10.156 579 HA VAL 67 HA VAL 67 -5.946 -3.761 7.228 580 HB VAL 67 HB VAL 67 -7.253 -2.142 9.444 581 1HG1 VAL 67 1HG1 VAL 67 -7.124 -0.707 7.452 582 2HG1 VAL 67 2HG1 VAL 67 -7.741 -2.027 6.433 583 3HG1 VAL 67 3HG1 VAL 67 -8.777 -1.286 7.667 584 1HG2 VAL 67 1HG2 VAL 67 -7.985 -4.536 9.214 585 2HG2 VAL 67 2HG2 VAL 67 -8.397 -4.219 7.520 586 3HG2 VAL 67 3HG2 VAL 67 -9.271 -3.383 8.817 587 H TYR 68 H TYR 68 -4.947 -2.334 5.911 588 HA TYR 68 HA TYR 68 -2.912 -0.543 7.140 589 1HB TYR 68 1HB TYR 68 -3.332 -1.518 4.302 590 2HB TYR 68 2HB TYR 68 -2.083 -0.390 4.819 591 HD1 TYR 68 HD1 TYR 68 -3.097 -3.906 4.716 592 HD2 TYR 68 HD2 TYR 68 -0.316 -1.108 6.454 593 HE1 TYR 68 HE1 TYR 68 -1.585 -5.760 5.291 594 HE2 TYR 68 HE2 TYR 68 1.147 -2.999 7.139 595 HH TYR 68 HH TYR 68 0.382 -6.384 6.385 596 H THR 69 H THR 69 -3.354 1.511 7.361 597 HA THR 69 HA THR 69 -5.576 2.842 5.900 598 HB THR 69 HB THR 69 -5.252 4.506 7.782 599 HG1 THR 69 HG1 THR 69 -3.069 3.413 8.158 600 1HG2 THR 69 1HG2 THR 69 -7.034 2.761 7.877 601 2HG2 THR 69 2HG2 THR 69 -6.379 3.129 9.485 602 3HG2 THR 69 3HG2 THR 69 -5.890 1.641 8.651 603 HA PRO 70 HA PRO 70 -1.784 4.538 4.043 604 1HB PRO 70 1HB PRO 70 -2.773 5.704 1.788 605 2HB PRO 70 2HB PRO 70 -2.692 3.925 1.921 606 1HG PRO 70 1HG PRO 70 -4.991 5.667 2.491 607 2HG PRO 70 2HG PRO 70 -5.002 4.203 1.463 608 1HD PRO 70 1HD PRO 70 -5.832 4.134 4.063 609 2HD PRO 70 2HD PRO 70 -4.880 2.775 3.389 610 H ASN 71 H ASN 71 -0.804 6.471 4.539 611 HA ASN 71 HA ASN 71 -2.259 8.370 6.134 612 1HB ASN 71 1HB ASN 71 0.170 7.616 6.254 613 2HB ASN 71 2HB ASN 71 0.477 8.747 4.960 614 1HD2 ASN 71 1HD2 ASN 71 -1.468 10.873 5.943 615 2HD2 ASN 71 2HD2 ASN 71 -0.692 11.486 7.390 616 H ILE 72 H ILE 72 -1.037 8.234 2.882 617 HA ILE 72 HA ILE 72 -2.272 10.872 2.181 618 HB ILE 72 HB ILE 72 -0.677 11.214 0.535 619 1HG1 ILE 72 1HG1 ILE 72 -0.380 9.198 -0.569 620 2HG1 ILE 72 2HG1 ILE 72 1.199 9.629 0.015 621 1HG2 ILE 72 1HG2 ILE 72 0.042 11.670 2.877 622 2HG2 ILE 72 2HG2 ILE 72 0.973 10.157 2.853 623 3HG2 ILE 72 3HG2 ILE 72 1.354 11.463 1.719 624 1HD1 ILE 72 1HD1 ILE 72 1.064 7.338 0.329 625 2HD1 ILE 72 2HD1 ILE 72 0.959 8.060 1.939 626 3HD1 ILE 72 3HD1 ILE 72 -0.493 7.405 1.152 627 H ASP 73 H ASP 73 -3.060 11.052 -0.076 628 HA ASP 73 HA ASP 73 -4.536 8.594 -0.912 629 1HB ASP 73 1HB ASP 73 -5.958 10.450 -0.156 630 2HB ASP 73 2HB ASP 73 -5.180 11.538 -1.320 631 H GLU 74 H GLU 74 -4.904 8.487 -3.290 632 HA GLU 74 HA GLU 74 -2.723 8.118 -4.850 633 1HB GLU 74 1HB GLU 74 -5.411 9.201 -5.837 634 2HB GLU 74 2HB GLU 74 -4.153 8.456 -6.835 635 1HG GLU 74 1HG GLU 74 -4.345 6.397 -5.379 636 2HG GLU 74 2HG GLU 74 -5.789 7.108 -4.644 637 H SER 75 H SER 75 -4.597 11.183 -4.983 638 HA SER 75 HA SER 75 -3.251 12.680 -6.720 639 1HB SER 75 1HB SER 75 -4.295 13.616 -4.025 640 2HB SER 75 2HB SER 75 -4.227 14.553 -5.530 641 HG SER 75 HG SER 75 -5.813 13.293 -6.384 642 H ASP 76 H ASP 76 -1.945 11.821 -3.555 643 HA ASP 76 HA ASP 76 -0.068 13.950 -3.301 644 1HB ASP 76 1HB ASP 76 -0.731 12.404 -1.495 645 2HB ASP 76 2HB ASP 76 0.092 11.071 -2.330 646 H TYR 77 H TYR 77 -0.035 10.945 -5.198 647 HA TYR 77 HA TYR 77 2.634 11.719 -6.320 648 1HB TYR 77 1HB TYR 77 1.809 9.214 -5.043 649 2HB TYR 77 2HB TYR 77 2.309 8.959 -6.702 650 HD1 TYR 77 HD1 TYR 77 3.506 10.985 -3.754 651 HD2 TYR 77 HD2 TYR 77 4.553 8.419 -7.043 652 HE1 TYR 77 HE1 TYR 77 5.853 10.924 -2.955 653 HE2 TYR 77 HE2 TYR 77 6.889 8.340 -6.245 654 HH TYR 77 HH TYR 77 8.245 8.762 -4.401 655 H ILE 78 H ILE 78 -0.487 10.076 -7.019 656 HA ILE 78 HA ILE 78 -0.109 10.739 -9.910 657 HB ILE 78 HB ILE 78 -1.290 8.222 -8.680 658 1HG1 ILE 78 1HG1 ILE 78 1.192 8.221 -8.766 659 2HG1 ILE 78 2HG1 ILE 78 0.437 6.986 -9.767 660 1HG2 ILE 78 1HG2 ILE 78 -1.555 7.499 -11.089 661 2HG2 ILE 78 2HG2 ILE 78 -2.661 8.776 -10.573 662 3HG2 ILE 78 3HG2 ILE 78 -1.251 9.184 -11.567 663 1HD1 ILE 78 1HD1 ILE 78 2.353 8.026 -10.902 664 2HD1 ILE 78 2HD1 ILE 78 0.861 8.313 -11.802 665 3HD1 ILE 78 3HD1 ILE 78 1.580 9.613 -10.822 666 H GLU 79 H GLU 79 -1.525 12.333 -10.363 667 HA GLU 79 HA GLU 79 -3.910 12.700 -8.751 668 1HB GLU 79 1HB GLU 79 -2.617 14.571 -9.748 669 2HB GLU 79 2HB GLU 79 -3.226 14.076 -11.340 670 1HG GLU 79 1HG GLU 79 -4.619 15.835 -10.406 671 2HG GLU 79 2HG GLU 79 -5.581 14.358 -10.473 672 H VAL 80 H VAL 80 -5.215 10.972 -8.860 673 HA VAL 80 HA VAL 80 -5.909 9.611 -11.284 674 HB VAL 80 HB VAL 80 -5.931 8.605 -9.024 675 1HG1 VAL 80 1HG1 VAL 80 -6.902 10.501 -7.727 676 2HG1 VAL 80 2HG1 VAL 80 -7.785 8.993 -7.468 677 3HG1 VAL 80 3HG1 VAL 80 -8.465 10.235 -8.524 678 1HG2 VAL 80 1HG2 VAL 80 -8.672 8.469 -10.344 679 2HG2 VAL 80 2HG2 VAL 80 -7.928 7.260 -9.285 680 3HG2 VAL 80 3HG2 VAL 80 -7.225 7.583 -10.879 681 H LYS 81 H LYS 81 -7.967 9.644 -12.409 682 HA LYS 81 HA LYS 81 -9.766 11.920 -11.986 683 1HB LYS 81 1HB LYS 81 -8.376 11.429 -14.661 684 2HB LYS 81 2HB LYS 81 -9.545 12.704 -14.275 685 1HG LYS 81 1HG LYS 81 -7.888 13.631 -12.607 686 2HG LYS 81 2HG LYS 81 -6.730 12.401 -13.156 687 1HD LYS 81 1HD LYS 81 -6.860 13.315 -15.473 688 2HD LYS 81 2HD LYS 81 -7.959 14.577 -14.890 689 1HE LYS 81 1HE LYS 81 -5.692 15.474 -15.009 690 2HE LYS 81 2HE LYS 81 -6.187 15.375 -13.311 691 1HZ LYS 81 1HZ LYS 81 -4.490 13.426 -14.715 692 2HZ LYS 81 2HZ LYS 81 -3.961 14.584 -13.672 693 3HZ LYS 81 3HZ LYS 81 -4.905 13.353 -13.123 694 H SER 82 H SER 82 -11.711 11.625 -13.502 695 HA SER 82 HA SER 82 -12.160 9.055 -14.749 696 1HB SER 82 1HB SER 82 -14.110 8.617 -13.204 697 2HB SER 82 2HB SER 82 -12.546 8.415 -12.378 698 HG SER 82 HG SER 82 -13.838 10.916 -12.447 Start of MODEL 13 1 1H MET 1 1H MET 1 9.060 11.514 2.880 2 2H MET 1 2H MET 1 7.523 12.020 2.710 3 3H MET 1 3H MET 1 8.596 12.795 3.687 4 HA MET 1 HA MET 1 7.360 10.144 4.025 5 1HB MET 1 1HB MET 1 9.214 11.610 5.952 6 2HB MET 1 2HB MET 1 8.330 10.120 6.316 7 1HG MET 1 1HG MET 1 9.529 8.994 4.406 8 2HG MET 1 2HG MET 1 10.468 10.474 4.177 9 1HE MET 1 1HE MET 1 10.065 7.173 6.181 10 2HE MET 1 2HE MET 1 9.378 8.319 7.361 11 3HE MET 1 3HE MET 1 10.934 7.529 7.686 12 H LYS 2 H LYS 2 5.608 10.075 5.567 13 HA LYS 2 HA LYS 2 3.758 10.825 6.659 14 1HB LYS 2 1HB LYS 2 5.331 12.127 8.098 15 2HB LYS 2 2HB LYS 2 5.111 13.530 7.037 16 1HG LYS 2 1HG LYS 2 2.680 13.510 7.494 17 2HG LYS 2 2HG LYS 2 2.892 12.100 8.560 18 1HD LYS 2 1HD LYS 2 4.415 13.435 10.007 19 2HD LYS 2 2HD LYS 2 4.199 14.836 8.938 20 1HE LYS 2 1HE LYS 2 1.759 14.839 9.432 21 2HE LYS 2 2HE LYS 2 1.974 13.438 10.502 22 1HZ LYS 2 1HZ LYS 2 1.922 15.480 11.713 23 2HZ LYS 2 2HZ LYS 2 3.404 14.777 11.863 24 3HZ LYS 2 3HZ LYS 2 3.205 16.078 10.870 25 H LYS 3 H LYS 3 2.558 10.542 4.826 26 HA LYS 3 HA LYS 3 1.272 10.973 3.067 27 1HB LYS 3 1HB LYS 3 1.677 13.956 3.635 28 2HB LYS 3 2HB LYS 3 0.741 13.285 2.303 29 1HG LYS 3 1HG LYS 3 -0.696 12.063 3.866 30 2HG LYS 3 2HG LYS 3 0.198 12.745 5.246 31 1HD LYS 3 1HD LYS 3 -0.427 15.033 4.502 32 2HD LYS 3 2HD LYS 3 -1.291 14.360 3.111 33 1HE LYS 3 1HE LYS 3 -2.006 13.868 6.042 34 2HE LYS 3 2HE LYS 3 -2.828 14.985 4.939 35 1HZ LYS 3 1HZ LYS 3 -4.025 12.987 5.035 36 2HZ LYS 3 2HZ LYS 3 -2.709 12.063 4.704 37 3HZ LYS 3 3HZ LYS 3 -3.326 13.047 3.541 38 H ILE 4 H ILE 4 3.706 13.531 2.831 39 HA ILE 4 HA ILE 4 4.489 13.593 0.203 40 HB ILE 4 HB ILE 4 6.149 13.731 2.727 41 1HG1 ILE 4 1HG1 ILE 4 4.935 15.934 1.002 42 2HG1 ILE 4 2HG1 ILE 4 4.272 15.374 2.540 43 1HG2 ILE 4 1HG2 ILE 4 7.617 13.376 0.653 44 2HG2 ILE 4 2HG2 ILE 4 7.890 14.853 1.556 45 3HG2 ILE 4 3HG2 ILE 4 6.961 14.914 0.054 46 1HD1 ILE 4 1HD1 ILE 4 6.926 16.790 2.154 47 2HD1 ILE 4 2HD1 ILE 4 5.480 17.361 2.995 48 3HD1 ILE 4 3HD1 ILE 4 6.413 16.013 3.673 49 HA PRO 5 HA PRO 5 5.832 9.244 0.257 50 1HB PRO 5 1HB PRO 5 4.646 8.298 -1.945 51 2HB PRO 5 2HB PRO 5 3.684 8.931 -0.577 52 1HG PRO 5 1HG PRO 5 4.374 10.400 -3.107 53 2HG PRO 5 2HG PRO 5 2.788 10.226 -2.364 54 1HD PRO 5 1HD PRO 5 4.527 12.372 -1.960 55 2HD PRO 5 2HD PRO 5 3.290 11.880 -0.791 56 H GLN 6 H GLN 6 7.301 7.912 -0.706 57 HA GLN 6 HA GLN 6 8.907 8.789 -3.057 58 1HB GLN 6 1HB GLN 6 9.864 7.668 -0.375 59 2HB GLN 6 2HB GLN 6 10.829 7.675 -1.863 60 1HG GLN 6 1HG GLN 6 10.589 10.161 -1.946 61 2HG GLN 6 2HG GLN 6 9.755 10.117 -0.382 62 1HE2 GLN 6 1HE2 GLN 6 11.266 10.967 1.125 63 2HE2 GLN 6 2HE2 GLN 6 12.908 10.360 1.246 64 H ILE 7 H ILE 7 8.091 7.313 -4.522 65 HA ILE 7 HA ILE 7 7.371 4.572 -3.583 66 HB ILE 7 HB ILE 7 6.406 6.254 -5.894 67 1HG1 ILE 7 1HG1 ILE 7 5.591 7.173 -3.805 68 2HG1 ILE 7 2HG1 ILE 7 4.289 6.427 -4.714 69 1HG2 ILE 7 1HG2 ILE 7 5.574 3.459 -5.018 70 2HG2 ILE 7 2HG2 ILE 7 4.556 4.488 -6.027 71 3HG2 ILE 7 3HG2 ILE 7 6.142 3.986 -6.608 72 1HD1 ILE 7 1HD1 ILE 7 4.040 5.794 -2.413 73 2HD1 ILE 7 2HD1 ILE 7 4.551 4.351 -3.303 74 3HD1 ILE 7 3HD1 ILE 7 5.714 5.232 -2.299 75 H SER 8 H SER 8 7.599 2.824 -4.947 76 HA SER 8 HA SER 8 9.611 2.903 -7.102 77 1HB SER 8 1HB SER 8 10.514 0.726 -6.163 78 2HB SER 8 2HB SER 8 10.895 2.157 -5.191 79 HG SER 8 HG SER 8 9.089 1.610 -3.846 80 H ASP 9 H ASP 9 9.151 1.083 -8.617 81 HA ASP 9 HA ASP 9 6.535 0.864 -9.353 82 1HB ASP 9 1HB ASP 9 8.330 0.217 -10.810 83 2HB ASP 9 2HB ASP 9 8.743 -1.174 -9.786 84 H ALA 10 H ALA 10 8.228 -1.568 -7.322 85 HA ALA 10 HA ALA 10 6.062 -3.345 -7.144 86 1HB ALA 10 1HB ALA 10 8.357 -3.964 -6.510 87 2HB ALA 10 2HB ALA 10 7.231 -4.279 -5.176 88 3HB ALA 10 3HB ALA 10 8.292 -2.850 -5.124 89 H GLU 11 H GLU 11 6.799 -0.441 -5.238 90 HA GLU 11 HA GLU 11 4.671 -0.883 -3.278 91 1HB GLU 11 1HB GLU 11 6.391 1.490 -4.071 92 2HB GLU 11 2HB GLU 11 5.098 1.624 -2.900 93 1HG GLU 11 1HG GLU 11 6.169 -0.115 -1.491 94 2HG GLU 11 2HG GLU 11 7.466 -0.278 -2.685 95 H LEU 12 H LEU 12 5.130 0.996 -6.306 96 HA LEU 12 HA LEU 12 2.744 2.365 -6.301 97 1HB LEU 12 1HB LEU 12 4.566 2.729 -7.889 98 2HB LEU 12 2HB LEU 12 4.204 1.230 -8.731 99 HG LEU 12 HG LEU 12 3.452 3.442 -9.737 100 1HD1 LEU 12 1HD1 LEU 12 1.295 1.319 -9.511 101 2HD1 LEU 12 2HD1 LEU 12 2.714 1.235 -10.575 102 3HD1 LEU 12 3HD1 LEU 12 1.510 2.516 -10.791 103 1HD2 LEU 12 1HD2 LEU 12 1.351 4.396 -9.071 104 2HD2 LEU 12 2HD2 LEU 12 2.411 4.362 -7.641 105 3HD2 LEU 12 3HD2 LEU 12 1.101 3.184 -7.815 106 H GLU 13 H GLU 13 3.355 -0.972 -7.599 107 HA GLU 13 HA GLU 13 0.805 -1.652 -8.547 108 1HB GLU 13 1HB GLU 13 2.833 -3.204 -6.949 109 2HB GLU 13 2HB GLU 13 1.381 -3.983 -7.543 110 1HG GLU 13 1HG GLU 13 3.237 -2.505 -9.457 111 2HG GLU 13 2HG GLU 13 3.472 -4.203 -9.032 112 H VAL 14 H VAL 14 1.986 -1.743 -5.187 113 HA VAL 14 HA VAL 14 -0.430 -2.794 -4.058 114 HB VAL 14 HB VAL 14 2.086 -1.516 -2.968 115 1HG1 VAL 14 1HG1 VAL 14 -0.341 -2.344 -1.347 116 2HG1 VAL 14 2HG1 VAL 14 1.282 -2.011 -0.691 117 3HG1 VAL 14 3HG1 VAL 14 0.361 -0.709 -1.448 118 1HG2 VAL 14 1HG2 VAL 14 2.159 -3.800 -3.822 119 2HG2 VAL 14 2HG2 VAL 14 2.522 -3.660 -2.091 120 3HG2 VAL 14 3HG2 VAL 14 0.929 -4.241 -2.598 121 H MET 15 H MET 15 0.845 0.534 -4.424 122 HA MET 15 HA MET 15 -1.289 1.863 -3.134 123 1HB MET 15 1HB MET 15 0.024 2.947 -5.646 124 2HB MET 15 2HB MET 15 -0.787 3.801 -4.321 125 1HG MET 15 1HG MET 15 1.015 3.016 -2.789 126 2HG MET 15 2HG MET 15 1.839 2.359 -4.196 127 1HE MET 15 1HE MET 15 1.757 5.332 -1.935 128 2HE MET 15 2HE MET 15 0.211 5.473 -2.796 129 3HE MET 15 3HE MET 15 1.472 6.718 -3.021 130 H LYS 16 H LYS 16 -0.916 1.004 -6.574 131 HA LYS 16 HA LYS 16 -3.312 1.968 -7.638 132 1HB LYS 16 1HB LYS 16 -1.381 1.140 -8.889 133 2HB LYS 16 2HB LYS 16 -1.723 -0.516 -8.371 134 1HG LYS 16 1HG LYS 16 -4.018 -0.232 -9.539 135 2HG LYS 16 2HG LYS 16 -3.315 1.209 -10.289 136 1HD LYS 16 1HD LYS 16 -2.243 -1.660 -10.426 137 2HD LYS 16 2HD LYS 16 -3.095 -0.808 -11.722 138 1HE LYS 16 1HE LYS 16 -1.245 0.848 -11.860 139 2HE LYS 16 2HE LYS 16 -0.379 -0.006 -10.566 140 1HZ LYS 16 1HZ LYS 16 -1.093 -1.222 -13.125 141 2HZ LYS 16 2HZ LYS 16 0.384 -0.601 -12.738 142 3HZ LYS 16 3HZ LYS 16 -0.195 -1.897 -11.911 143 H VAL 17 H VAL 17 -2.663 -1.375 -6.355 144 HA VAL 17 HA VAL 17 -5.305 -2.309 -6.650 145 HB VAL 17 HB VAL 17 -2.902 -3.057 -4.981 146 1HG1 VAL 17 1HG1 VAL 17 -4.636 -3.387 -3.348 147 2HG1 VAL 17 2HG1 VAL 17 -4.191 -4.956 -4.001 148 3HG1 VAL 17 3HG1 VAL 17 -5.690 -4.185 -4.553 149 1HG2 VAL 17 1HG2 VAL 17 -3.235 -5.188 -6.218 150 2HG2 VAL 17 2HG2 VAL 17 -4.748 -4.548 -6.888 151 3HG2 VAL 17 3HG2 VAL 17 -3.197 -3.824 -7.351 152 H ILE 18 H ILE 18 -3.801 -0.625 -3.826 153 HA ILE 18 HA ILE 18 -6.172 -0.842 -2.248 154 HB ILE 18 HB ILE 18 -3.949 1.211 -2.094 155 1HG1 ILE 18 1HG1 ILE 18 -4.214 -1.153 -0.232 156 2HG1 ILE 18 2HG1 ILE 18 -3.439 -1.444 -1.791 157 1HG2 ILE 18 1HG2 ILE 18 -6.115 0.379 -0.099 158 2HG2 ILE 18 2HG2 ILE 18 -5.967 1.948 -0.882 159 3HG2 ILE 18 3HG2 ILE 18 -4.752 1.434 0.297 160 1HD1 ILE 18 1HD1 ILE 18 -1.843 0.390 -1.263 161 2HD1 ILE 18 2HD1 ILE 18 -2.664 0.625 0.299 162 3HD1 ILE 18 3HD1 ILE 18 -1.830 -0.902 -0.038 163 H TRP 19 H TRP 19 -4.982 1.962 -4.191 164 HA TRP 19 HA TRP 19 -7.182 3.662 -3.769 165 1HB TRP 19 1HB TRP 19 -5.303 3.379 -6.143 166 2HB TRP 19 2HB TRP 19 -6.481 4.674 -5.982 167 HD1 TRP 19 HD1 TRP 19 -6.019 5.591 -3.031 168 HE1 TRP 19 HE1 TRP 19 -3.888 6.970 -2.451 169 HE3 TRP 19 HE3 TRP 19 -2.997 4.162 -6.925 170 HZ2 TRP 19 HZ2 TRP 19 -1.339 7.438 -3.571 171 HZ3 TRP 19 HZ3 TRP 19 -0.694 5.061 -7.085 172 HH2 TRP 19 HH2 TRP 19 0.100 6.774 -5.497 173 H LYS 20 H LYS 20 -6.872 0.952 -6.091 174 HA LYS 20 HA LYS 20 -9.147 1.612 -7.627 175 1HB LYS 20 1HB LYS 20 -7.429 -0.099 -8.209 176 2HB LYS 20 2HB LYS 20 -8.035 -1.132 -6.919 177 1HG LYS 20 1HG LYS 20 -8.828 -1.849 -9.121 178 2HG LYS 20 2HG LYS 20 -10.156 -1.444 -8.038 179 1HD LYS 20 1HD LYS 20 -10.560 -0.655 -10.325 180 2HD LYS 20 2HD LYS 20 -10.527 0.689 -9.187 181 1HE LYS 20 1HE LYS 20 -8.209 1.252 -9.897 182 2HE LYS 20 2HE LYS 20 -8.182 -0.167 -10.963 183 1HZ LYS 20 1HZ LYS 20 -9.966 0.824 -12.202 184 2HZ LYS 20 2HZ LYS 20 -9.992 2.133 -11.199 185 3HZ LYS 20 3HZ LYS 20 -8.670 1.840 -12.138 186 H HIS 21 H HIS 21 -8.941 0.380 -4.353 187 HA HIS 21 HA HIS 21 -11.835 -0.347 -4.289 188 1HB HIS 21 1HB HIS 21 -9.934 -2.012 -3.739 189 2HB HIS 21 2HB HIS 21 -9.627 -1.037 -2.328 190 HD2 HIS 21 HD2 HIS 21 -10.532 -4.140 -2.074 191 HE1 HIS 21 HE1 HIS 21 -14.296 -2.621 -0.897 192 HE2 HIS 21 HE2 HIS 21 -12.767 -4.688 -0.849 193 H SER 22 H SER 22 -12.615 0.208 -1.771 194 HA SER 22 HA SER 22 -12.471 3.142 -1.614 195 1HB SER 22 1HB SER 22 -13.779 2.652 0.540 196 2HB SER 22 2HB SER 22 -14.520 2.084 -0.972 197 HG SER 22 HG SER 22 -14.541 0.424 0.593 198 H SER 23 H SER 23 -11.566 0.461 0.469 199 HA SER 23 HA SER 23 -8.863 1.524 0.731 200 1HB SER 23 1HB SER 23 -10.538 0.774 3.181 201 2HB SER 23 2HB SER 23 -8.775 0.964 3.204 202 HG SER 23 HG SER 23 -10.124 3.047 1.997 203 H ILE 24 H ILE 24 -7.999 -0.926 2.246 204 HA ILE 24 HA ILE 24 -9.570 -3.083 1.058 205 HB ILE 24 HB ILE 24 -8.085 -2.294 -0.788 206 1HG1 ILE 24 1HG1 ILE 24 -7.271 -5.080 0.024 207 2HG1 ILE 24 2HG1 ILE 24 -8.930 -4.686 -0.466 208 1HG2 ILE 24 1HG2 ILE 24 -6.161 -1.709 0.777 209 2HG2 ILE 24 2HG2 ILE 24 -5.750 -2.596 -0.704 210 3HG2 ILE 24 3HG2 ILE 24 -5.799 -3.438 0.864 211 1HD1 ILE 24 1HD1 ILE 24 -7.638 -5.495 -2.405 212 2HD1 ILE 24 2HD1 ILE 24 -6.451 -4.215 -2.158 213 3HD1 ILE 24 3HD1 ILE 24 -8.107 -3.799 -2.626 214 H ASN 25 H ASN 25 -9.193 -5.157 2.031 215 HA ASN 25 HA ASN 25 -7.700 -4.894 4.602 216 1HB ASN 25 1HB ASN 25 -8.661 -6.787 5.426 217 2HB ASN 25 2HB ASN 25 -9.971 -5.803 4.846 218 1HD2 ASN 25 1HD2 ASN 25 -11.555 -7.136 3.963 219 2HD2 ASN 25 2HD2 ASN 25 -11.234 -8.638 3.120 220 H THR 26 H THR 26 -6.259 -6.599 5.241 221 HA THR 26 HA THR 26 -4.321 -6.940 3.248 222 HB THR 26 HB THR 26 -4.405 -8.628 5.769 223 HG1 THR 26 HG1 THR 26 -4.681 -6.335 6.198 224 1HG2 THR 26 1HG2 THR 26 -1.911 -8.304 5.567 225 2HG2 THR 26 2HG2 THR 26 -2.162 -7.494 4.009 226 3HG2 THR 26 3HG2 THR 26 -2.579 -9.206 4.196 227 H ASN 27 H ASN 27 -6.968 -9.222 3.887 228 HA ASN 27 HA ASN 27 -5.621 -11.404 2.483 229 1HB ASN 27 1HB ASN 27 -7.487 -11.906 3.995 230 2HB ASN 27 2HB ASN 27 -8.582 -10.919 3.016 231 1HD2 ASN 27 1HD2 ASN 27 -6.429 -13.811 2.834 232 2HD2 ASN 27 2HD2 ASN 27 -7.370 -14.586 1.574 233 H GLU 28 H GLU 28 -7.924 -8.803 1.656 234 HA GLU 28 HA GLU 28 -8.344 -9.462 -1.093 235 1HB GLU 28 1HB GLU 28 -8.526 -6.930 0.555 236 2HB GLU 28 2HB GLU 28 -8.904 -6.918 -1.152 237 1HG GLU 28 1HG GLU 28 -10.589 -8.436 -0.674 238 2HG GLU 28 2HG GLU 28 -10.249 -8.536 1.049 239 H VAL 29 H VAL 29 -6.076 -7.231 0.565 240 HA VAL 29 HA VAL 29 -4.838 -6.329 -1.792 241 HB VAL 29 HB VAL 29 -4.739 -5.596 0.837 242 1HG1 VAL 29 1HG1 VAL 29 -1.908 -6.553 0.238 243 2HG1 VAL 29 2HG1 VAL 29 -2.966 -7.223 1.493 244 3HG1 VAL 29 3HG1 VAL 29 -2.442 -5.549 1.599 245 1HG2 VAL 29 1HG2 VAL 29 -3.315 -3.822 0.153 246 2HG2 VAL 29 2HG2 VAL 29 -2.707 -4.757 -1.232 247 3HG2 VAL 29 3HG2 VAL 29 -4.392 -4.229 -1.192 248 H ILE 30 H ILE 30 -3.706 -8.941 0.462 249 HA ILE 30 HA ILE 30 -1.431 -9.538 -1.137 250 HB ILE 30 HB ILE 30 -2.940 -11.238 0.881 251 1HG1 ILE 30 1HG1 ILE 30 -0.409 -9.522 0.895 252 2HG1 ILE 30 2HG1 ILE 30 -1.889 -9.258 1.809 253 1HG2 ILE 30 1HG2 ILE 30 -0.250 -11.795 -0.452 254 2HG2 ILE 30 2HG2 ILE 30 -1.737 -12.730 -0.713 255 3HG2 ILE 30 3HG2 ILE 30 -0.979 -12.736 0.867 256 1HD1 ILE 30 1HD1 ILE 30 0.274 -11.313 2.254 257 2HD1 ILE 30 2HD1 ILE 30 -0.313 -10.084 3.364 258 3HD1 ILE 30 3HD1 ILE 30 -1.334 -11.495 3.005 259 H LYS 31 H LYS 31 -4.767 -10.867 -1.223 260 HA LYS 31 HA LYS 31 -4.301 -12.762 -3.230 261 1HB LYS 31 1HB LYS 31 -6.395 -12.538 -1.917 262 2HB LYS 31 2HB LYS 31 -6.781 -11.047 -2.767 263 1HG LYS 31 1HG LYS 31 -8.050 -12.930 -3.670 264 2HG LYS 31 2HG LYS 31 -6.994 -12.230 -4.886 265 1HD LYS 31 1HD LYS 31 -6.963 -14.682 -5.007 266 2HD LYS 31 2HD LYS 31 -5.365 -14.046 -4.620 267 1HE LYS 31 1HE LYS 31 -5.934 -16.069 -3.303 268 2HE LYS 31 2HE LYS 31 -5.626 -14.680 -2.259 269 1HZ LYS 31 1HZ LYS 31 -7.983 -14.387 -2.045 270 2HZ LYS 31 2HZ LYS 31 -8.283 -15.657 -3.054 271 3HZ LYS 31 3HZ LYS 31 -7.559 -15.913 -1.596 272 H GLU 32 H GLU 32 -5.402 -9.331 -3.684 273 HA GLU 32 HA GLU 32 -5.392 -9.454 -6.484 274 1HB GLU 32 1HB GLU 32 -6.094 -7.513 -4.637 275 2HB GLU 32 2HB GLU 32 -4.634 -6.823 -5.326 276 1HG GLU 32 1HG GLU 32 -7.189 -7.643 -6.734 277 2HG GLU 32 2HG GLU 32 -6.518 -6.030 -6.590 278 H LEU 33 H LEU 33 -2.653 -8.378 -4.243 279 HA LEU 33 HA LEU 33 -0.967 -7.666 -6.364 280 1HB LEU 33 1HB LEU 33 -0.767 -8.312 -3.408 281 2HB LEU 33 2HB LEU 33 0.640 -8.363 -4.393 282 HG LEU 33 HG LEU 33 0.715 -6.225 -3.500 283 1HD1 LEU 33 1HD1 LEU 33 0.979 -6.226 -6.028 284 2HD1 LEU 33 2HD1 LEU 33 -0.669 -5.547 -6.112 285 3HD1 LEU 33 3HD1 LEU 33 0.599 -4.676 -5.266 286 1HD2 LEU 33 1HD2 LEU 33 -1.272 -4.670 -3.467 287 2HD2 LEU 33 2HD2 LEU 33 -1.458 -6.133 -2.508 288 3HD2 LEU 33 3HD2 LEU 33 -2.248 -6.000 -4.098 289 H SER 34 H SER 34 -1.340 -10.760 -4.536 290 HA SER 34 HA SER 34 0.694 -12.152 -5.849 291 1HB SER 34 1HB SER 34 -1.976 -13.257 -4.883 292 2HB SER 34 2HB SER 34 -0.524 -14.203 -5.265 293 HG SER 34 HG SER 34 -0.809 -12.238 -3.237 294 H LYS 35 H LYS 35 -2.716 -11.631 -6.889 295 HA LYS 35 HA LYS 35 -2.579 -13.278 -9.231 296 1HB LYS 35 1HB LYS 35 -4.292 -10.867 -8.505 297 2HB LYS 35 2HB LYS 35 -4.476 -11.775 -10.007 298 1HG LYS 35 1HG LYS 35 -5.059 -13.801 -8.847 299 2HG LYS 35 2HG LYS 35 -4.579 -13.137 -7.288 300 1HD LYS 35 1HD LYS 35 -7.039 -13.168 -7.543 301 2HD LYS 35 2HD LYS 35 -6.394 -11.544 -7.280 302 1HE LYS 35 1HE LYS 35 -8.182 -11.575 -8.990 303 2HE LYS 35 2HE LYS 35 -6.656 -10.979 -9.644 304 1HZ LYS 35 1HZ LYS 35 -7.703 -13.711 -9.954 305 2HZ LYS 35 2HZ LYS 35 -7.721 -12.532 -11.106 306 3HZ LYS 35 3HZ LYS 35 -6.286 -13.148 -10.583 307 H THR 36 H THR 36 -1.935 -9.764 -8.745 308 HA THR 36 HA THR 36 -1.328 -9.403 -11.591 309 HB THR 36 HB THR 36 -0.722 -7.068 -10.773 310 HG1 THR 36 HG1 THR 36 -2.064 -7.901 -8.413 311 1HG2 THR 36 1HG2 THR 36 -3.110 -6.483 -10.455 312 2HG2 THR 36 2HG2 THR 36 -3.506 -8.195 -10.187 313 3HG2 THR 36 3HG2 THR 36 -2.913 -7.657 -11.768 314 H SER 37 H SER 37 0.658 -8.825 -8.657 315 HA SER 37 HA SER 37 3.109 -9.618 -10.236 316 1HB SER 37 1HB SER 37 2.813 -7.706 -7.880 317 2HB SER 37 2HB SER 37 4.332 -8.265 -8.596 318 HG SER 37 HG SER 37 2.329 -6.677 -9.842 319 H THR 38 H THR 38 3.083 -11.812 -9.743 320 HA THR 38 HA THR 38 2.332 -12.833 -7.237 321 HB THR 38 HB THR 38 3.885 -14.292 -9.384 322 HG1 THR 38 HG1 THR 38 1.163 -13.476 -9.304 323 1HG2 THR 38 1HG2 THR 38 2.362 -16.138 -8.764 324 2HG2 THR 38 2HG2 THR 38 1.589 -15.119 -7.534 325 3HG2 THR 38 3HG2 THR 38 3.287 -15.608 -7.347 326 H TRP 39 H TRP 39 3.899 -11.284 -6.055 327 HA TRP 39 HA TRP 39 6.548 -12.539 -5.548 328 1HB TRP 39 1HB TRP 39 5.197 -10.326 -3.991 329 2HB TRP 39 2HB TRP 39 6.913 -10.756 -4.050 330 HD1 TRP 39 HD1 TRP 39 7.895 -10.473 -6.783 331 HE1 TRP 39 HE1 TRP 39 7.804 -8.247 -8.113 332 HE3 TRP 39 HE3 TRP 39 3.997 -8.212 -4.366 333 HZ2 TRP 39 HZ2 TRP 39 6.296 -5.825 -8.076 334 HZ3 TRP 39 HZ3 TRP 39 3.303 -5.901 -4.989 335 HH2 TRP 39 HH2 TRP 39 4.382 -4.766 -6.890 336 H SER 40 H SER 40 6.789 -12.471 -2.808 337 HA SER 40 HA SER 40 4.983 -14.648 -1.979 338 1HB SER 40 1HB SER 40 7.214 -15.015 -1.339 339 2HB SER 40 2HB SER 40 7.446 -13.356 -0.776 340 HG SER 40 HG SER 40 7.120 -14.940 0.909 341 HA PRO 41 HA PRO 41 2.166 -11.965 0.345 342 1HB PRO 41 1HB PRO 41 2.649 -13.969 2.554 343 2HB PRO 41 2HB PRO 41 1.105 -13.292 2.016 344 1HG PRO 41 1HG PRO 41 1.767 -15.769 1.209 345 2HG PRO 41 2HG PRO 41 1.081 -14.607 0.036 346 1HD PRO 41 1HD PRO 41 3.969 -15.395 0.396 347 2HD PRO 41 2HD PRO 41 3.026 -15.141 -1.104 348 H LYS 42 H LYS 42 5.214 -13.248 1.722 349 HA LYS 42 HA LYS 42 5.529 -11.316 3.808 350 1HB LYS 42 1HB LYS 42 6.724 -13.495 3.613 351 2HB LYS 42 2HB LYS 42 7.671 -12.837 2.263 352 1HG LYS 42 1HG LYS 42 8.503 -11.018 3.790 353 2HG LYS 42 2HG LYS 42 7.610 -11.753 5.125 354 1HD LYS 42 1HD LYS 42 9.844 -13.092 3.517 355 2HD LYS 42 2HD LYS 42 10.033 -12.311 5.094 356 1HE LYS 42 1HE LYS 42 8.384 -13.942 6.070 357 2HE LYS 42 2HE LYS 42 8.345 -14.791 4.512 358 1HZ LYS 42 1HZ LYS 42 10.723 -14.396 6.178 359 2HZ LYS 42 2HZ LYS 42 10.684 -15.175 4.726 360 3HZ LYS 42 3HZ LYS 42 9.867 -15.794 6.016 361 H THR 43 H THR 43 6.524 -11.391 0.331 362 HA THR 43 HA THR 43 8.076 -8.996 0.393 363 HB THR 43 HB THR 43 6.449 -9.990 -1.967 364 HG1 THR 43 HG1 THR 43 8.907 -11.028 -1.022 365 1HG2 THR 43 1HG2 THR 43 8.447 -9.213 -3.243 366 2HG2 THR 43 2HG2 THR 43 7.709 -7.905 -2.306 367 3HG2 THR 43 3HG2 THR 43 9.199 -8.682 -1.729 368 H ILE 44 H ILE 44 4.648 -9.736 -0.371 369 HA ILE 44 HA ILE 44 3.867 -7.075 -1.005 370 HB ILE 44 HB ILE 44 2.257 -9.424 0.055 371 1HG1 ILE 44 1HG1 ILE 44 2.344 -8.271 -2.751 372 2HG1 ILE 44 2HG1 ILE 44 3.536 -9.471 -2.254 373 1HG2 ILE 44 1HG2 ILE 44 1.405 -6.697 -1.025 374 2HG2 ILE 44 2HG2 ILE 44 0.975 -7.441 0.530 375 3HG2 ILE 44 3HG2 ILE 44 0.314 -8.087 -0.971 376 1HD1 ILE 44 1HD1 ILE 44 1.715 -10.540 -3.442 377 2HD1 ILE 44 2HD1 ILE 44 1.816 -11.115 -1.773 378 3HD1 ILE 44 3HD1 ILE 44 0.545 -9.968 -2.243 379 H GLN 45 H GLN 45 3.726 -8.838 2.147 380 HA GLN 45 HA GLN 45 2.843 -6.645 3.717 381 1HB GLN 45 1HB GLN 45 4.458 -9.106 4.354 382 2HB GLN 45 2HB GLN 45 4.073 -7.892 5.578 383 1HG GLN 45 1HG GLN 45 1.943 -9.255 3.873 384 2HG GLN 45 2HG GLN 45 2.469 -9.814 5.459 385 1HE2 GLN 45 1HE2 GLN 45 0.578 -7.357 3.788 386 2HE2 GLN 45 2HE2 GLN 45 -0.056 -6.586 5.231 387 H THR 46 H THR 46 6.152 -7.511 2.638 388 HA THR 46 HA THR 46 7.448 -5.494 4.172 389 HB THR 46 HB THR 46 8.352 -6.606 1.486 390 HG1 THR 46 HG1 THR 46 7.925 -8.199 3.137 391 1HG2 THR 46 1HG2 THR 46 9.880 -5.330 3.788 392 2HG2 THR 46 2HG2 THR 46 9.635 -4.618 2.177 393 3HG2 THR 46 3HG2 THR 46 10.601 -6.093 2.358 394 H MET 47 H MET 47 6.156 -5.392 0.778 395 HA MET 47 HA MET 47 6.879 -2.710 0.212 396 1HB MET 47 1HB MET 47 4.511 -4.304 -0.778 397 2HB MET 47 2HB MET 47 5.042 -2.737 -1.413 398 1HG MET 47 1HG MET 47 6.657 -5.310 -1.400 399 2HG MET 47 2HG MET 47 5.909 -4.497 -2.768 400 1HE MET 47 1HE MET 47 9.946 -4.448 -2.992 401 2HE MET 47 2HE MET 47 8.514 -5.404 -3.441 402 3HE MET 47 3HE MET 47 9.148 -5.475 -1.778 403 H LEU 48 H LEU 48 3.852 -4.017 1.596 404 HA LEU 48 HA LEU 48 2.498 -1.575 2.068 405 1HB LEU 48 1HB LEU 48 2.502 -4.247 3.510 406 2HB LEU 48 2HB LEU 48 1.399 -2.955 3.950 407 HG LEU 48 HG LEU 48 1.578 -3.857 1.045 408 1HD1 LEU 48 1HD1 LEU 48 -0.141 -5.514 1.398 409 2HD1 LEU 48 2HD1 LEU 48 -0.141 -5.213 3.150 410 3HD1 LEU 48 3HD1 LEU 48 1.276 -5.929 2.355 411 1HD2 LEU 48 1HD2 LEU 48 -0.801 -3.216 1.023 412 2HD2 LEU 48 2HD2 LEU 48 0.173 -1.860 1.641 413 3HD2 LEU 48 3HD2 LEU 48 -0.747 -2.886 2.756 414 H LEU 49 H LEU 49 4.649 -3.419 4.258 415 HA LEU 49 HA LEU 49 4.685 -1.640 6.394 416 1HB LEU 49 1HB LEU 49 5.554 -3.912 6.440 417 2HB LEU 49 2HB LEU 49 6.926 -3.463 5.434 418 HG LEU 49 HG LEU 49 7.343 -3.774 7.871 419 1HD1 LEU 49 1HD1 LEU 49 8.898 -2.497 6.396 420 2HD1 LEU 49 2HD1 LEU 49 8.141 -0.992 6.962 421 3HD1 LEU 49 3HD1 LEU 49 8.959 -2.053 8.110 422 1HD2 LEU 49 1HD2 LEU 49 5.972 -1.084 8.262 423 2HD2 LEU 49 2HD2 LEU 49 5.287 -2.660 8.724 424 3HD2 LEU 49 3HD2 LEU 49 6.778 -2.077 9.486 425 H ARG 50 H ARG 50 6.886 -1.601 3.476 426 HA ARG 50 HA ARG 50 8.398 0.642 4.322 427 1HB ARG 50 1HB ARG 50 7.668 -0.241 1.477 428 2HB ARG 50 2HB ARG 50 8.857 0.978 1.932 429 1HG ARG 50 1HG ARG 50 9.785 -0.945 3.485 430 2HG ARG 50 2HG ARG 50 8.986 -2.002 2.326 431 1HD ARG 50 1HD ARG 50 11.113 0.072 1.645 432 2HD ARG 50 2HD ARG 50 11.354 -1.656 1.793 433 HE ARG 50 HE ARG 50 10.031 -2.116 -0.110 434 1HH1 ARG 50 1HH1 ARG 50 10.556 1.371 0.260 435 2HH1 ARG 50 2HH1 ARG 50 10.394 1.692 -1.446 436 1HH2 ARG 50 1HH2 ARG 50 9.995 -1.702 -2.323 437 2HH2 ARG 50 2HH2 ARG 50 10.037 -0.077 -2.943 438 H LEU 51 H LEU 51 5.435 0.498 2.339 439 HA LEU 51 HA LEU 51 5.105 3.320 2.068 440 1HB LEU 51 1HB LEU 51 3.078 1.069 2.120 441 2HB LEU 51 2HB LEU 51 2.635 2.748 1.797 442 HG LEU 51 HG LEU 51 4.688 1.217 0.147 443 1HD1 LEU 51 1HD1 LEU 51 2.430 0.191 -0.013 444 2HD1 LEU 51 2HD1 LEU 51 1.764 1.774 -0.485 445 3HD1 LEU 51 3HD1 LEU 51 2.936 0.952 -1.532 446 1HD2 LEU 51 1HD2 LEU 51 3.224 3.878 -0.235 447 2HD2 LEU 51 2HD2 LEU 51 4.114 3.051 -1.512 448 3HD2 LEU 51 3HD2 LEU 51 4.983 3.641 -0.097 449 H ILE 52 H ILE 52 4.066 1.177 4.735 450 HA ILE 52 HA ILE 52 2.732 3.269 6.191 451 HB ILE 52 HB ILE 52 3.881 0.595 7.031 452 1HG1 ILE 52 1HG1 ILE 52 0.987 1.501 6.933 453 2HG1 ILE 52 2HG1 ILE 52 1.779 0.866 5.493 454 1HG2 ILE 52 1HG2 ILE 52 2.626 0.914 9.172 455 2HG2 ILE 52 2HG2 ILE 52 3.954 2.051 9.012 456 3HG2 ILE 52 3HG2 ILE 52 2.290 2.590 8.701 457 1HD1 ILE 52 1HD1 ILE 52 0.532 -0.882 6.632 458 2HD1 ILE 52 2HD1 ILE 52 1.481 -0.667 8.108 459 3HD1 ILE 52 3HD1 ILE 52 2.265 -1.255 6.626 460 H LYS 53 H LYS 53 6.090 1.998 6.355 461 HA LYS 53 HA LYS 53 7.009 3.661 8.434 462 1HB LYS 53 1HB LYS 53 8.157 1.667 7.439 463 2HB LYS 53 2HB LYS 53 8.614 2.664 6.044 464 1HG LYS 53 1HG LYS 53 9.771 4.246 7.659 465 2HG LYS 53 2HG LYS 53 9.415 3.105 8.959 466 1HD LYS 53 1HD LYS 53 11.101 2.553 6.466 467 2HD LYS 53 2HD LYS 53 11.715 2.881 8.094 468 1HE LYS 53 1HE LYS 53 10.501 0.819 8.914 469 2HE LYS 53 2HE LYS 53 10.079 0.455 7.228 470 1HZ LYS 53 1HZ LYS 53 12.401 0.365 6.721 471 2HZ LYS 53 2HZ LYS 53 12.800 0.694 8.287 472 3HZ LYS 53 3HZ LYS 53 12.020 -0.708 7.912 473 H LYS 54 H LYS 54 6.819 4.260 4.888 474 HA LYS 54 HA LYS 54 8.013 6.862 4.958 475 1HB LYS 54 1HB LYS 54 6.217 5.326 3.044 476 2HB LYS 54 2HB LYS 54 6.882 6.907 2.676 477 1HG LYS 54 1HG LYS 54 9.137 6.124 2.690 478 2HG LYS 54 2HG LYS 54 8.691 4.595 3.463 479 1HD LYS 54 1HD LYS 54 7.405 3.905 1.496 480 2HD LYS 54 2HD LYS 54 7.773 5.419 0.666 481 1HE LYS 54 1HE LYS 54 9.903 3.443 1.626 482 2HE LYS 54 2HE LYS 54 9.170 3.409 0.010 483 1HZ LYS 54 1HZ LYS 54 9.947 5.542 -0.426 484 2HZ LYS 54 2HZ LYS 54 11.220 4.587 0.004 485 3HZ LYS 54 3HZ LYS 54 10.631 5.699 1.072 486 H GLY 55 H GLY 55 4.938 5.750 6.116 487 1HA GLY 55 1HA GLY 55 3.119 6.857 6.874 488 2HA GLY 55 2HA GLY 55 3.989 8.387 6.675 489 H ALA 56 H ALA 56 3.516 6.070 4.045 490 HA ALA 56 HA ALA 56 1.995 8.051 2.441 491 1HB ALA 56 1HB ALA 56 3.099 5.282 1.780 492 2HB ALA 56 2HB ALA 56 2.368 6.418 0.633 493 3HB ALA 56 3HB ALA 56 3.896 6.831 1.433 494 H LEU 57 H LEU 57 1.683 4.855 4.020 495 HA LEU 57 HA LEU 57 -1.288 4.863 3.525 496 1HB LEU 57 1HB LEU 57 0.800 2.691 3.472 497 2HB LEU 57 2HB LEU 57 -0.821 2.309 4.035 498 HG LEU 57 HG LEU 57 -1.859 2.783 1.984 499 1HD1 LEU 57 1HD1 LEU 57 -0.630 3.525 -0.070 500 2HD1 LEU 57 2HD1 LEU 57 -0.832 4.763 1.149 501 3HD1 LEU 57 3HD1 LEU 57 0.750 3.973 0.949 502 1HD2 LEU 57 1HD2 LEU 57 -0.874 0.624 2.059 503 2HD2 LEU 57 2HD2 LEU 57 -0.470 1.272 0.449 504 3HD2 LEU 57 3HD2 LEU 57 0.748 1.249 1.719 505 H ASN 58 H ASN 58 -2.531 4.735 5.314 506 HA ASN 58 HA ASN 58 -1.246 4.384 8.005 507 1HB ASN 58 1HB ASN 58 -2.376 6.510 7.858 508 2HB ASN 58 2HB ASN 58 -3.767 5.811 7.030 509 1HD2 ASN 58 1HD2 ASN 58 -5.385 4.653 8.233 510 2HD2 ASN 58 2HD2 ASN 58 -5.344 4.633 9.993 511 H HIS 59 H HIS 59 -2.221 2.600 9.287 512 HA HIS 59 HA HIS 59 -4.363 1.108 7.902 513 1HB HIS 59 1HB HIS 59 -3.282 -1.005 8.271 514 2HB HIS 59 2HB HIS 59 -2.251 0.034 7.304 515 HD2 HIS 59 HD2 HIS 59 -1.437 -2.530 9.530 516 HE1 HIS 59 HE1 HIS 59 0.834 0.629 11.200 517 HE2 HIS 59 HE2 HIS 59 0.532 -1.904 11.150 518 H HIS 60 H HIS 60 -5.452 -0.407 9.182 519 HA HIS 60 HA HIS 60 -5.343 -0.031 12.111 520 1HB HIS 60 1HB HIS 60 -7.672 0.583 12.325 521 2HB HIS 60 2HB HIS 60 -6.804 1.796 11.384 522 HD2 HIS 60 HD2 HIS 60 -7.475 1.899 8.635 523 HE1 HIS 60 HE1 HIS 60 -11.006 -0.389 9.120 524 HE2 HIS 60 HE2 HIS 60 -9.742 1.152 7.529 525 H LYS 61 H LYS 61 -6.324 -1.719 13.269 526 HA LYS 61 HA LYS 61 -6.458 -4.269 11.797 527 1HB LYS 61 1HB LYS 61 -6.313 -3.490 14.712 528 2HB LYS 61 2HB LYS 61 -6.710 -5.124 14.179 529 1HG LYS 61 1HG LYS 61 -4.369 -5.001 14.683 530 2HG LYS 61 2HG LYS 61 -4.615 -5.346 12.971 531 1HD LYS 61 1HD LYS 61 -4.033 -2.986 12.406 532 2HD LYS 61 2HD LYS 61 -3.949 -2.596 14.132 533 1HE LYS 61 1HE LYS 61 -1.711 -2.877 13.231 534 2HE LYS 61 2HE LYS 61 -2.043 -4.183 14.378 535 1HZ LYS 61 1HZ LYS 61 -0.997 -4.967 12.380 536 2HZ LYS 61 2HZ LYS 61 -2.219 -4.388 11.444 537 3HZ LYS 61 3HZ LYS 61 -2.504 -5.610 12.509 538 H GLU 62 H GLU 62 -8.425 -4.291 10.649 539 HA GLU 62 HA GLU 62 -10.874 -3.452 12.061 540 1HB GLU 62 1HB GLU 62 -10.354 -2.894 9.667 541 2HB GLU 62 2HB GLU 62 -10.525 -4.614 9.274 542 1HG GLU 62 1HG GLU 62 -12.881 -4.539 10.134 543 2HG GLU 62 2HG GLU 62 -12.674 -2.817 10.501 544 H GLY 63 H GLY 63 -10.419 -5.092 13.689 545 1HA GLY 63 1HA GLY 63 -11.036 -6.956 14.837 546 2HA GLY 63 2HA GLY 63 -12.313 -7.180 13.641 547 H ARG 64 H ARG 64 -11.517 -8.187 11.527 548 HA ARG 64 HA ARG 64 -10.408 -10.788 12.249 549 1HB ARG 64 1HB ARG 64 -12.329 -9.951 10.485 550 2HB ARG 64 2HB ARG 64 -11.001 -10.345 9.399 551 1HG ARG 64 1HG ARG 64 -12.007 -12.207 11.619 552 2HG ARG 64 2HG ARG 64 -12.670 -12.155 10.004 553 1HD ARG 64 1HD ARG 64 -11.087 -13.989 10.083 554 2HD ARG 64 2HD ARG 64 -10.465 -12.729 9.025 555 HE ARG 64 HE ARG 64 -8.768 -12.227 10.514 556 1HH1 ARG 64 1HH1 ARG 64 -10.891 -14.602 12.063 557 2HH1 ARG 64 2HH1 ARG 64 -9.958 -14.637 13.535 558 1HH2 ARG 64 1HH2 ARG 64 -7.747 -12.097 12.410 559 2HH2 ARG 64 2HH2 ARG 64 -8.037 -13.231 13.717 560 H VAL 65 H VAL 65 -9.593 -8.216 9.808 561 HA VAL 65 HA VAL 65 -6.727 -8.904 10.026 562 HB VAL 65 HB VAL 65 -6.639 -8.718 7.472 563 1HG1 VAL 65 1HG1 VAL 65 -6.243 -10.840 8.675 564 2HG1 VAL 65 2HG1 VAL 65 -7.044 -11.096 7.115 565 3HG1 VAL 65 3HG1 VAL 65 -7.981 -11.201 8.617 566 1HG2 VAL 65 1HG2 VAL 65 -9.549 -9.615 7.588 567 2HG2 VAL 65 2HG2 VAL 65 -8.570 -9.240 6.164 568 3HG2 VAL 65 3HG2 VAL 65 -9.075 -7.941 7.270 569 H PHE 66 H PHE 66 -5.403 -7.172 8.941 570 HA PHE 66 HA PHE 66 -6.625 -4.621 9.697 571 1HB PHE 66 1HB PHE 66 -4.268 -3.741 9.139 572 2HB PHE 66 2HB PHE 66 -4.587 -4.589 10.627 573 HD1 PHE 66 HD1 PHE 66 -2.329 -4.419 7.930 574 HD2 PHE 66 HD2 PHE 66 -4.070 -7.110 10.819 575 HE1 PHE 66 HE1 PHE 66 -0.319 -5.870 7.811 576 HE2 PHE 66 HE2 PHE 66 -2.106 -8.603 10.604 577 HZ PHE 66 HZ PHE 66 -0.229 -7.983 9.088 578 H VAL 67 H VAL 67 -6.709 -2.822 8.494 579 HA VAL 67 HA VAL 67 -7.032 -3.196 5.582 580 HB VAL 67 HB VAL 67 -8.630 -1.665 7.658 581 1HG1 VAL 67 1HG1 VAL 67 -10.035 -0.772 5.809 582 2HG1 VAL 67 2HG1 VAL 67 -8.872 -1.398 4.628 583 3HG1 VAL 67 3HG1 VAL 67 -8.398 -0.113 5.761 584 1HG2 VAL 67 1HG2 VAL 67 -9.520 -3.651 5.538 585 2HG2 VAL 67 2HG2 VAL 67 -9.231 -4.069 7.242 586 3HG2 VAL 67 3HG2 VAL 67 -10.523 -2.937 6.804 587 H TYR 68 H TYR 68 -6.170 -1.694 4.266 588 HA TYR 68 HA TYR 68 -4.338 0.305 5.534 589 1HB TYR 68 1HB TYR 68 -4.289 -0.712 2.687 590 2HB TYR 68 2HB TYR 68 -3.079 0.266 3.511 591 HD1 TYR 68 HD1 TYR 68 -1.578 -0.786 5.237 592 HD2 TYR 68 HD2 TYR 68 -4.477 -3.084 3.024 593 HE1 TYR 68 HE1 TYR 68 -0.577 -2.902 6.102 594 HE2 TYR 68 HE2 TYR 68 -3.443 -5.153 3.841 595 HH TYR 68 HH TYR 68 -2.165 -5.963 5.683 596 H THR 69 H THR 69 -5.004 2.323 5.490 597 HA THR 69 HA THR 69 -7.008 3.338 3.543 598 HB THR 69 HB THR 69 -7.124 5.193 5.128 599 HG1 THR 69 HG1 THR 69 -5.010 4.194 6.145 600 1HG2 THR 69 1HG2 THR 69 -7.798 2.418 6.221 601 2HG2 THR 69 2HG2 THR 69 -8.824 3.415 5.167 602 3HG2 THR 69 3HG2 THR 69 -8.480 3.944 6.825 603 HA PRO 70 HA PRO 70 -3.185 5.125 1.809 604 1HB PRO 70 1HB PRO 70 -5.174 6.704 0.171 605 2HB PRO 70 2HB PRO 70 -3.719 5.818 -0.369 606 1HG PRO 70 1HG PRO 70 -6.191 4.728 -0.740 607 2HG PRO 70 2HG PRO 70 -4.810 3.743 -0.162 608 1HD PRO 70 1HD PRO 70 -7.020 5.019 1.500 609 2HD PRO 70 2HD PRO 70 -6.426 3.340 1.542 610 H ASN 71 H ASN 71 -2.052 6.851 2.728 611 HA ASN 71 HA ASN 71 -3.465 9.050 4.055 612 1HB ASN 71 1HB ASN 71 -1.194 7.771 4.658 613 2HB ASN 71 2HB ASN 71 -0.523 8.994 3.581 614 1HD2 ASN 71 1HD2 ASN 71 0.662 9.466 5.688 615 2HD2 ASN 71 2HD2 ASN 71 -0.112 10.639 6.754 616 H ILE 72 H ILE 72 -1.798 8.274 1.178 617 HA ILE 72 HA ILE 72 -1.979 10.982 -0.028 618 HB ILE 72 HB ILE 72 -0.453 9.657 -1.791 619 1HG1 ILE 72 1HG1 ILE 72 1.186 8.239 -0.797 620 2HG1 ILE 72 2HG1 ILE 72 0.478 8.401 0.799 621 1HG2 ILE 72 1HG2 ILE 72 1.537 10.488 -0.572 622 2HG2 ILE 72 2HG2 ILE 72 0.259 11.700 -0.721 623 3HG2 ILE 72 3HG2 ILE 72 0.513 10.842 0.822 624 1HD1 ILE 72 1HD1 ILE 72 0.149 6.197 -0.358 625 2HD1 ILE 72 2HD1 ILE 72 -0.873 7.014 -1.547 626 3HD1 ILE 72 3HD1 ILE 72 -1.388 6.889 0.125 627 H ASP 73 H ASP 73 -3.033 11.288 -1.873 628 HA ASP 73 HA ASP 73 -4.083 9.149 -3.550 629 1HB ASP 73 1HB ASP 73 -5.745 9.340 -1.698 630 2HB ASP 73 2HB ASP 73 -5.997 11.041 -2.093 631 H GLU 74 H GLU 74 -4.467 12.594 -2.697 632 HA GLU 74 HA GLU 74 -4.845 13.697 -5.227 633 1HB GLU 74 1HB GLU 74 -3.267 14.877 -2.875 634 2HB GLU 74 2HB GLU 74 -3.918 15.775 -4.255 635 1HG GLU 74 1HG GLU 74 -6.208 15.057 -3.634 636 2HG GLU 74 2HG GLU 74 -5.583 14.233 -2.200 637 H SER 75 H SER 75 -1.720 13.345 -3.481 638 HA SER 75 HA SER 75 -0.055 13.929 -5.700 639 1HB SER 75 1HB SER 75 0.670 12.359 -3.194 640 2HB SER 75 2HB SER 75 1.666 13.502 -4.104 641 HG SER 75 HG SER 75 0.205 15.154 -3.396 642 H ASP 76 H ASP 76 -1.755 12.049 -6.743 643 HA ASP 76 HA ASP 76 -1.381 9.361 -6.489 644 1HB ASP 76 1HB ASP 76 -3.130 10.354 -7.843 645 2HB ASP 76 2HB ASP 76 -1.938 10.962 -9.008 646 H TYR 77 H TYR 77 0.695 8.724 -6.121 647 HA TYR 77 HA TYR 77 2.695 7.858 -6.541 648 1HB TYR 77 1HB TYR 77 1.438 6.575 -8.196 649 2HB TYR 77 2HB TYR 77 1.687 7.826 -9.407 650 HD1 TYR 77 HD1 TYR 77 2.690 6.475 -11.087 651 HD2 TYR 77 HD2 TYR 77 4.389 6.579 -7.128 652 HE1 TYR 77 HE1 TYR 77 4.860 5.681 -11.976 653 HE2 TYR 77 HE2 TYR 77 6.558 5.839 -8.038 654 HH TYR 77 HH TYR 77 7.745 6.083 -10.138 655 H ILE 78 H ILE 78 2.446 10.770 -6.446 656 HA ILE 78 HA ILE 78 4.562 11.691 -8.333 657 HB ILE 78 HB ILE 78 3.009 13.221 -6.221 658 1HG1 ILE 78 1HG1 ILE 78 2.643 12.806 -9.224 659 2HG1 ILE 78 2HG1 ILE 78 1.499 12.433 -7.933 660 1HG2 ILE 78 1HG2 ILE 78 3.947 15.205 -7.313 661 2HG2 ILE 78 2HG2 ILE 78 5.271 14.167 -6.808 662 3HG2 ILE 78 3HG2 ILE 78 4.782 14.192 -8.512 663 1HD1 ILE 78 1HD1 ILE 78 2.279 15.199 -8.899 664 2HD1 ILE 78 2HD1 ILE 78 0.703 14.402 -8.989 665 3HD1 ILE 78 3HD1 ILE 78 1.347 14.899 -7.411 666 H GLU 79 H GLU 79 6.477 10.681 -7.711 667 HA GLU 79 HA GLU 79 7.148 10.244 -4.961 668 1HB GLU 79 1HB GLU 79 9.088 10.241 -7.297 669 2HB GLU 79 2HB GLU 79 9.182 9.388 -5.763 670 1HG GLU 79 1HG GLU 79 8.411 7.624 -6.946 671 2HG GLU 79 2HG GLU 79 6.816 8.364 -6.738 672 H VAL 80 H VAL 80 7.697 11.884 -3.581 673 HA VAL 80 HA VAL 80 9.405 14.136 -4.575 674 HB VAL 80 HB VAL 80 8.375 15.250 -2.444 675 1HG1 VAL 80 1HG1 VAL 80 8.171 16.122 -4.730 676 2HG1 VAL 80 2HG1 VAL 80 6.860 14.972 -5.073 677 3HG1 VAL 80 3HG1 VAL 80 6.623 16.268 -3.881 678 1HG2 VAL 80 1HG2 VAL 80 6.033 14.727 -2.040 679 2HG2 VAL 80 2HG2 VAL 80 6.052 13.456 -3.261 680 3HG2 VAL 80 3HG2 VAL 80 6.989 13.253 -1.764 681 H LYS 81 H LYS 81 11.422 13.878 -3.909 682 HA LYS 81 HA LYS 81 12.101 11.910 -1.938 683 1HB LYS 81 1HB LYS 81 13.359 12.715 -4.085 684 2HB LYS 81 2HB LYS 81 14.101 13.897 -3.011 685 1HG LYS 81 1HG LYS 81 14.093 10.852 -2.771 686 2HG LYS 81 2HG LYS 81 15.462 11.874 -3.234 687 1HD LYS 81 1HD LYS 81 15.389 12.937 -0.946 688 2HD LYS 81 2HD LYS 81 14.139 11.772 -0.479 689 1HE LYS 81 1HE LYS 81 16.980 11.094 -1.342 690 2HE LYS 81 2HE LYS 81 16.309 11.011 0.296 691 1HZ LYS 81 1HZ LYS 81 16.302 8.870 -0.654 692 2HZ LYS 81 2HZ LYS 81 15.509 9.377 -2.004 693 3HZ LYS 81 3HZ LYS 81 14.728 9.363 -0.560 694 H SER 82 H SER 82 10.768 12.812 -0.186 695 HA SER 82 HA SER 82 12.391 14.134 1.778 696 1HB SER 82 1HB SER 82 11.650 16.179 0.603 697 2HB SER 82 2HB SER 82 9.970 15.601 0.632 698 HG SER 82 HG SER 82 10.312 15.503 2.988 Start of MODEL 14 1 1H MET 1 1H MET 1 7.928 10.986 -2.931 2 2H MET 1 2H MET 1 7.705 12.061 -1.704 3 3H MET 1 3H MET 1 8.954 11.010 -1.630 4 HA MET 1 HA MET 1 10.341 12.310 -2.578 5 1HB MET 1 1HB MET 1 8.132 12.748 -4.625 6 2HB MET 1 2HB MET 1 9.667 13.611 -4.697 7 1HG MET 1 1HG MET 1 9.776 11.705 -6.149 8 2HG MET 1 2HG MET 1 10.935 11.574 -4.836 9 1HE MET 1 1HE MET 1 7.391 8.781 -5.649 10 2HE MET 1 2HE MET 1 7.065 10.493 -5.303 11 3HE MET 1 3HE MET 1 8.018 10.034 -6.740 12 H LYS 2 H LYS 2 9.743 15.126 -3.484 13 HA LYS 2 HA LYS 2 9.364 16.298 -0.894 14 1HB LYS 2 1HB LYS 2 10.670 17.383 -2.686 15 2HB LYS 2 2HB LYS 2 9.235 17.450 -3.715 16 1HG LYS 2 1HG LYS 2 9.661 19.614 -2.803 17 2HG LYS 2 2HG LYS 2 8.148 19.017 -2.122 18 1HD LYS 2 1HD LYS 2 9.357 18.388 -0.016 19 2HD LYS 2 2HD LYS 2 10.874 18.970 -0.718 20 1HE LYS 2 1HE LYS 2 8.378 20.660 -0.191 21 2HE LYS 2 2HE LYS 2 9.815 20.596 0.841 22 1HZ LYS 2 1HZ LYS 2 9.750 21.542 -1.936 23 2HZ LYS 2 2HZ LYS 2 11.099 21.436 -0.994 24 3HZ LYS 2 3HZ LYS 2 9.885 22.472 -0.586 25 H LYS 3 H LYS 3 7.431 16.676 0.103 26 HA LYS 3 HA LYS 3 5.270 16.886 0.581 27 1HB LYS 3 1HB LYS 3 5.038 18.727 -0.882 28 2HB LYS 3 2HB LYS 3 5.026 17.726 -2.330 29 1HG LYS 3 1HG LYS 3 2.832 18.557 -1.898 30 2HG LYS 3 2HG LYS 3 2.842 16.803 -1.791 31 1HD LYS 3 1HD LYS 3 2.979 17.046 0.759 32 2HD LYS 3 2HD LYS 3 2.757 18.788 0.531 33 1HE LYS 3 1HE LYS 3 0.841 16.545 -0.298 34 2HE LYS 3 2HE LYS 3 0.632 17.659 1.062 35 1HZ LYS 3 1HZ LYS 3 0.552 19.458 -0.553 36 2HZ LYS 3 2HZ LYS 3 0.641 18.363 -1.789 37 3HZ LYS 3 3HZ LYS 3 -0.653 18.354 -0.776 38 H ILE 4 H ILE 4 5.232 15.303 -2.647 39 HA ILE 4 HA ILE 4 3.085 13.587 -1.913 40 HB ILE 4 HB ILE 4 3.468 12.474 -4.054 41 1HG1 ILE 4 1HG1 ILE 4 6.078 14.023 -4.243 42 2HG1 ILE 4 2HG1 ILE 4 5.911 12.275 -3.990 43 1HG2 ILE 4 1HG2 ILE 4 3.058 14.353 -5.455 44 2HG2 ILE 4 2HG2 ILE 4 3.993 15.445 -4.417 45 3HG2 ILE 4 3HG2 ILE 4 2.443 14.787 -3.857 46 1HD1 ILE 4 1HD1 ILE 4 5.019 13.809 -6.461 47 2HD1 ILE 4 2HD1 ILE 4 4.715 12.080 -6.165 48 3HD1 ILE 4 3HD1 ILE 4 6.374 12.686 -6.329 49 HA PRO 5 HA PRO 5 4.810 10.351 0.461 50 1HB PRO 5 1HB PRO 5 3.791 8.009 -0.748 51 2HB PRO 5 2HB PRO 5 2.967 9.103 0.379 52 1HG PRO 5 1HG PRO 5 2.810 9.223 -2.614 53 2HG PRO 5 2HG PRO 5 1.460 9.282 -1.491 54 1HD PRO 5 1HD PRO 5 2.332 11.535 -2.462 55 2HD PRO 5 2HD PRO 5 2.106 11.459 -0.700 56 H GLN 6 H GLN 6 6.326 8.445 0.511 57 HA GLN 6 HA GLN 6 8.387 9.080 -1.387 58 1HB GLN 6 1HB GLN 6 8.765 7.205 0.901 59 2HB GLN 6 2HB GLN 6 9.962 8.056 -0.044 60 1HG GLN 6 1HG GLN 6 7.975 9.294 1.908 61 2HG GLN 6 2HG GLN 6 9.723 9.160 2.100 62 1HE2 GLN 6 1HE2 GLN 6 7.561 11.525 1.671 63 2HE2 GLN 6 2HE2 GLN 6 8.383 12.542 0.506 64 H ILE 7 H ILE 7 6.640 8.030 -2.967 65 HA ILE 7 HA ILE 7 6.525 5.123 -2.955 66 HB ILE 7 HB ILE 7 5.534 7.164 -4.971 67 1HG1 ILE 7 1HG1 ILE 7 4.475 7.537 -2.843 68 2HG1 ILE 7 2HG1 ILE 7 3.320 6.837 -3.966 69 1HG2 ILE 7 1HG2 ILE 7 5.572 5.096 -6.152 70 2HG2 ILE 7 2HG2 ILE 7 3.910 5.345 -5.636 71 3HG2 ILE 7 3HG2 ILE 7 4.930 4.191 -4.763 72 1HD1 ILE 7 1HD1 ILE 7 3.699 4.581 -2.904 73 2HD1 ILE 7 2HD1 ILE 7 4.727 5.371 -1.687 74 3HD1 ILE 7 3HD1 ILE 7 3.016 5.797 -1.816 75 H SER 8 H SER 8 7.067 3.731 -4.566 76 HA SER 8 HA SER 8 9.185 4.396 -6.508 77 1HB SER 8 1HB SER 8 9.225 1.854 -4.840 78 2HB SER 8 2HB SER 8 10.525 2.548 -5.820 79 HG SER 8 HG SER 8 9.438 3.626 -3.414 80 H ASP 9 H ASP 9 9.224 2.621 -8.208 81 HA ASP 9 HA ASP 9 6.821 2.225 -9.419 82 1HB ASP 9 1HB ASP 9 8.904 1.911 -10.563 83 2HB ASP 9 2HB ASP 9 9.293 0.470 -9.608 84 H ALA 10 H ALA 10 8.429 -0.574 -7.784 85 HA ALA 10 HA ALA 10 6.234 -2.306 -7.962 86 1HB ALA 10 1HB ALA 10 8.508 -3.028 -7.357 87 2HB ALA 10 2HB ALA 10 7.312 -3.590 -6.173 88 3HB ALA 10 3HB ALA 10 8.363 -2.212 -5.782 89 H GLU 11 H GLU 11 6.994 0.086 -5.446 90 HA GLU 11 HA GLU 11 5.010 -0.685 -3.563 91 1HB GLU 11 1HB GLU 11 6.180 2.073 -4.065 92 2HB GLU 11 2HB GLU 11 5.321 1.573 -2.635 93 1HG GLU 11 1HG GLU 11 7.004 -0.125 -2.097 94 2HG GLU 11 2HG GLU 11 7.922 0.251 -3.556 95 H LEU 12 H LEU 12 4.933 1.539 -6.396 96 HA LEU 12 HA LEU 12 2.354 2.524 -5.918 97 1HB LEU 12 1HB LEU 12 3.971 3.432 -7.580 98 2HB LEU 12 2HB LEU 12 3.630 2.049 -8.628 99 HG LEU 12 HG LEU 12 1.262 2.741 -8.818 100 1HD1 LEU 12 1HD1 LEU 12 0.628 5.049 -8.048 101 2HD1 LEU 12 2HD1 LEU 12 2.134 5.122 -7.116 102 3HD1 LEU 12 3HD1 LEU 12 0.882 3.935 -6.707 103 1HD2 LEU 12 1HD2 LEU 12 1.688 4.727 -10.214 104 2HD2 LEU 12 2HD2 LEU 12 2.927 3.485 -10.458 105 3HD2 LEU 12 3HD2 LEU 12 3.293 4.912 -9.468 106 H GLU 13 H GLU 13 3.361 -0.622 -7.318 107 HA GLU 13 HA GLU 13 0.786 -1.298 -8.402 108 1HB GLU 13 1HB GLU 13 2.971 -3.143 -7.348 109 2HB GLU 13 2HB GLU 13 1.640 -3.593 -8.412 110 1HG GLU 13 1HG GLU 13 3.884 -1.629 -9.109 111 2HG GLU 13 2HG GLU 13 3.721 -3.278 -9.688 112 H VAL 14 H VAL 14 2.342 -1.991 -5.207 113 HA VAL 14 HA VAL 14 0.021 -3.415 -4.293 114 HB VAL 14 HB VAL 14 0.928 -3.525 -2.200 115 1HG1 VAL 14 1HG1 VAL 14 3.352 -3.448 -4.061 116 2HG1 VAL 14 2HG1 VAL 14 3.151 -4.432 -2.602 117 3HG1 VAL 14 3HG1 VAL 14 2.145 -4.743 -4.030 118 1HG2 VAL 14 1HG2 VAL 14 2.778 -2.345 -1.262 119 2HG2 VAL 14 2HG2 VAL 14 2.983 -1.393 -2.732 120 3HG2 VAL 14 3HG2 VAL 14 1.537 -1.173 -1.715 121 H MET 15 H MET 15 1.059 -0.005 -4.098 122 HA MET 15 HA MET 15 -1.035 1.007 -2.510 123 1HB MET 15 1HB MET 15 0.391 2.240 -4.890 124 2HB MET 15 2HB MET 15 -0.639 3.120 -3.807 125 1HG MET 15 1HG MET 15 1.532 1.605 -2.402 126 2HG MET 15 2HG MET 15 2.029 2.909 -3.480 127 1HE MET 15 1HE MET 15 -1.520 3.296 -1.791 128 2HE MET 15 2HE MET 15 -0.686 2.245 -0.622 129 3HE MET 15 3HE MET 15 -1.058 3.941 -0.216 130 H LYS 16 H LYS 16 -0.926 0.580 -6.068 131 HA LYS 16 HA LYS 16 -3.507 1.487 -6.686 132 1HB LYS 16 1HB LYS 16 -1.793 1.049 -8.295 133 2HB LYS 16 2HB LYS 16 -1.769 -0.672 -7.932 134 1HG LYS 16 1HG LYS 16 -3.898 -1.052 -8.928 135 2HG LYS 16 2HG LYS 16 -4.269 0.676 -8.987 136 1HD LYS 16 1HD LYS 16 -3.613 -0.331 -11.210 137 2HD LYS 16 2HD LYS 16 -2.696 1.095 -10.718 138 1HE LYS 16 1HE LYS 16 -1.253 -0.635 -11.738 139 2HE LYS 16 2HE LYS 16 -0.766 -0.253 -10.089 140 1HZ LYS 16 1HZ LYS 16 -0.752 -2.579 -10.498 141 2HZ LYS 16 2HZ LYS 16 -1.903 -2.237 -9.368 142 3HZ LYS 16 3HZ LYS 16 -2.349 -2.587 -10.917 143 H VAL 17 H VAL 17 -2.446 -1.888 -5.901 144 HA VAL 17 HA VAL 17 -5.021 -3.047 -5.956 145 HB VAL 17 HB VAL 17 -2.430 -3.722 -4.537 146 1HG1 VAL 17 1HG1 VAL 17 -5.104 -5.109 -4.234 147 2HG1 VAL 17 2HG1 VAL 17 -4.028 -4.491 -2.948 148 3HG1 VAL 17 3HG1 VAL 17 -3.542 -5.891 -3.909 149 1HG2 VAL 17 1HG2 VAL 17 -4.102 -5.162 -6.644 150 2HG2 VAL 17 2HG2 VAL 17 -2.509 -5.659 -6.051 151 3HG2 VAL 17 3HG2 VAL 17 -2.670 -4.162 -6.984 152 H ILE 18 H ILE 18 -3.304 -1.519 -3.152 153 HA ILE 18 HA ILE 18 -5.375 -1.946 -1.286 154 HB ILE 18 HB ILE 18 -3.338 0.307 -1.484 155 1HG1 ILE 18 1HG1 ILE 18 -3.228 -1.930 0.513 156 2HG1 ILE 18 2HG1 ILE 18 -2.682 -2.290 -1.120 157 1HG2 ILE 18 1HG2 ILE 18 -3.815 0.530 1.012 158 2HG2 ILE 18 2HG2 ILE 18 -5.241 -0.487 0.763 159 3HG2 ILE 18 3HG2 ILE 18 -5.123 1.082 -0.048 160 1HD1 ILE 18 1HD1 ILE 18 -0.949 -0.637 -0.986 161 2HD1 ILE 18 2HD1 ILE 18 -0.909 -1.536 0.534 162 3HD1 ILE 18 3HD1 ILE 18 -1.644 0.084 0.468 163 H TRP 19 H TRP 19 -4.789 1.000 -3.286 164 HA TRP 19 HA TRP 19 -7.134 2.363 -2.495 165 1HB TRP 19 1HB TRP 19 -5.412 2.562 -4.993 166 2HB TRP 19 2HB TRP 19 -6.739 3.662 -4.634 167 HD1 TRP 19 HD1 TRP 19 -6.303 4.344 -1.663 168 HE1 TRP 19 HE1 TRP 19 -4.355 5.902 -0.957 169 HE3 TRP 19 HE3 TRP 19 -3.148 3.669 -5.680 170 HZ2 TRP 19 HZ2 TRP 19 -1.829 6.642 -1.929 171 HZ3 TRP 19 HZ3 TRP 19 -1.114 5.049 -5.861 172 HH2 TRP 19 HH2 TRP 19 -0.370 6.445 -3.941 173 H LYS 20 H LYS 20 -6.772 -0.167 -4.967 174 HA LYS 20 HA LYS 20 -9.251 0.331 -6.246 175 1HB LYS 20 1HB LYS 20 -7.509 -1.183 -7.116 176 2HB LYS 20 2HB LYS 20 -7.801 -2.305 -5.783 177 1HG LYS 20 1HG LYS 20 -8.822 -3.089 -7.836 178 2HG LYS 20 2HG LYS 20 -10.052 -2.789 -6.604 179 1HD LYS 20 1HD LYS 20 -10.684 -0.674 -7.679 180 2HD LYS 20 2HD LYS 20 -9.344 -0.828 -8.841 181 1HE LYS 20 1HE LYS 20 -10.387 -2.898 -9.746 182 2HE LYS 20 2HE LYS 20 -11.699 -2.759 -8.558 183 1HZ LYS 20 1HZ LYS 20 -12.300 -0.679 -9.558 184 2HZ LYS 20 2HZ LYS 20 -12.324 -1.888 -10.677 185 3HZ LYS 20 3HZ LYS 20 -11.082 -0.805 -10.662 186 H HIS 21 H HIS 21 -8.532 -0.975 -3.068 187 HA HIS 21 HA HIS 21 -11.328 -1.922 -2.665 188 1HB HIS 21 1HB HIS 21 -9.229 -3.407 -2.291 189 2HB HIS 21 2HB HIS 21 -8.875 -2.376 -0.936 190 HD2 HIS 21 HD2 HIS 21 -9.477 -5.508 -0.463 191 HE1 HIS 21 HE1 HIS 21 -13.310 -4.307 0.859 192 HE2 HIS 21 HE2 HIS 21 -11.597 -6.220 0.888 193 H SER 22 H SER 22 -11.941 -1.374 -0.139 194 HA SER 22 HA SER 22 -12.013 1.558 0.002 195 1HB SER 22 1HB SER 22 -13.100 0.984 2.257 196 2HB SER 22 2HB SER 22 -13.909 0.341 0.811 197 HG SER 22 HG SER 22 -13.666 -1.298 2.380 198 H SER 23 H SER 23 -10.721 -1.016 2.018 199 HA SER 23 HA SER 23 -8.110 0.305 2.117 200 1HB SER 23 1HB SER 23 -9.575 -0.615 4.644 201 2HB SER 23 2HB SER 23 -7.837 -0.279 4.578 202 HG SER 23 HG SER 23 -9.438 1.690 3.482 203 H ILE 24 H ILE 24 -6.947 -2.077 3.575 204 HA ILE 24 HA ILE 24 -8.369 -4.342 2.405 205 HB ILE 24 HB ILE 24 -7.085 -3.485 0.491 206 1HG1 ILE 24 1HG1 ILE 24 -5.901 -6.131 1.337 207 2HG1 ILE 24 2HG1 ILE 24 -7.615 -5.934 0.931 208 1HG2 ILE 24 1HG2 ILE 24 -4.587 -4.244 2.062 209 2HG2 ILE 24 2HG2 ILE 24 -4.695 -3.563 0.425 210 3HG2 ILE 24 3HG2 ILE 24 -5.146 -2.576 1.825 211 1HD1 ILE 24 1HD1 ILE 24 -6.355 -6.688 -1.037 212 2HD1 ILE 24 2HD1 ILE 24 -7.047 -5.077 -1.299 213 3HD1 ILE 24 3HD1 ILE 24 -5.319 -5.260 -0.952 214 H ASN 25 H ASN 25 -7.939 -6.319 3.384 215 HA ASN 25 HA ASN 25 -6.449 -6.035 5.938 216 1HB ASN 25 1HB ASN 25 -7.581 -7.774 6.832 217 2HB ASN 25 2HB ASN 25 -8.806 -6.944 5.879 218 1HD2 ASN 25 1HD2 ASN 25 -10.214 -8.603 5.376 219 2HD2 ASN 25 2HD2 ASN 25 -9.731 -10.127 4.663 220 H THR 26 H THR 26 -4.785 -7.597 6.528 221 HA THR 26 HA THR 26 -3.001 -7.874 4.423 222 HB THR 26 HB THR 26 -2.841 -9.519 6.972 223 HG1 THR 26 HG1 THR 26 -3.139 -7.259 7.393 224 1HG2 THR 26 1HG2 THR 26 -0.802 -8.416 4.972 225 2HG2 THR 26 2HG2 THR 26 -1.132 -10.130 5.312 226 3HG2 THR 26 3HG2 THR 26 -0.373 -9.117 6.550 227 H ASN 27 H ASN 27 -5.427 -10.357 5.266 228 HA ASN 27 HA ASN 27 -4.057 -12.444 3.753 229 1HB ASN 27 1HB ASN 27 -5.782 -13.071 5.343 230 2HB ASN 27 2HB ASN 27 -6.999 -12.104 4.502 231 1HD2 ASN 27 1HD2 ASN 27 -7.764 -12.803 2.369 232 2HD2 ASN 27 2HD2 ASN 27 -7.516 -14.471 1.887 233 H GLU 28 H GLU 28 -6.634 -10.078 3.072 234 HA GLU 28 HA GLU 28 -7.064 -10.643 0.317 235 1HB GLU 28 1HB GLU 28 -7.233 -8.094 1.951 236 2HB GLU 28 2HB GLU 28 -7.734 -8.160 0.266 237 1HG GLU 28 1HG GLU 28 -9.465 -9.802 0.822 238 2HG GLU 28 2HG GLU 28 -8.908 -9.818 2.505 239 H VAL 29 H VAL 29 -4.761 -8.372 1.915 240 HA VAL 29 HA VAL 29 -3.716 -7.395 -0.514 241 HB VAL 29 HB VAL 29 -3.423 -6.652 2.105 242 1HG1 VAL 29 1HG1 VAL 29 -1.099 -6.538 2.672 243 2HG1 VAL 29 2HG1 VAL 29 -0.637 -7.541 1.282 244 3HG1 VAL 29 3HG1 VAL 29 -1.577 -8.226 2.620 245 1HG2 VAL 29 1HG2 VAL 29 -3.236 -5.259 0.006 246 2HG2 VAL 29 2HG2 VAL 29 -1.569 -5.821 -0.169 247 3HG2 VAL 29 3HG2 VAL 29 -2.043 -4.852 1.242 248 H ILE 30 H ILE 30 -2.266 -9.962 1.638 249 HA ILE 30 HA ILE 30 -0.153 -10.521 -0.143 250 HB ILE 30 HB ILE 30 -1.522 -12.336 1.888 251 1HG1 ILE 30 1HG1 ILE 30 0.728 -10.301 1.935 252 2HG1 ILE 30 2HG1 ILE 30 -0.640 -10.423 3.006 253 1HG2 ILE 30 1HG2 ILE 30 -0.169 -13.639 0.193 254 2HG2 ILE 30 2HG2 ILE 30 0.507 -13.706 1.812 255 3HG2 ILE 30 3HG2 ILE 30 1.235 -12.632 0.607 256 1HD1 ILE 30 1HD1 ILE 30 1.301 -11.029 4.233 257 2HD1 ILE 30 2HD1 ILE 30 1.817 -12.194 3.012 258 3HD1 ILE 30 3HD1 ILE 30 0.356 -12.513 3.988 259 H LYS 31 H LYS 31 -3.480 -11.882 -0.059 260 HA LYS 31 HA LYS 31 -3.046 -13.742 -2.120 261 1HB LYS 31 1HB LYS 31 -5.006 -13.614 -0.556 262 2HB LYS 31 2HB LYS 31 -5.631 -12.259 -1.498 263 1HG LYS 31 1HG LYS 31 -6.734 -14.331 -2.099 264 2HG LYS 31 2HG LYS 31 -5.809 -13.745 -3.489 265 1HD LYS 31 1HD LYS 31 -4.095 -15.425 -3.167 266 2HD LYS 31 2HD LYS 31 -4.665 -15.786 -1.529 267 1HE LYS 31 1HE LYS 31 -5.292 -17.571 -3.075 268 2HE LYS 31 2HE LYS 31 -6.732 -16.778 -2.419 269 1HZ LYS 31 1HZ LYS 31 -6.903 -15.543 -4.451 270 2HZ LYS 31 2HZ LYS 31 -5.542 -16.255 -5.055 271 3HZ LYS 31 3HZ LYS 31 -6.890 -17.159 -4.768 272 H GLU 32 H GLU 32 -4.441 -10.373 -2.434 273 HA GLU 32 HA GLU 32 -4.628 -10.578 -5.250 274 1HB GLU 32 1HB GLU 32 -5.874 -8.994 -3.707 275 2HB GLU 32 2HB GLU 32 -4.390 -8.035 -3.620 276 1HG GLU 32 1HG GLU 32 -5.969 -7.142 -5.314 277 2HG GLU 32 2HG GLU 32 -4.471 -7.694 -6.077 278 H LEU 33 H LEU 33 -2.025 -9.260 -3.155 279 HA LEU 33 HA LEU 33 -0.404 -8.278 -5.310 280 1HB LEU 33 1HB LEU 33 0.134 -9.022 -2.457 281 2HB LEU 33 2HB LEU 33 1.483 -8.894 -3.562 282 HG LEU 33 HG LEU 33 1.030 -6.744 -3.971 283 1HD1 LEU 33 1HD1 LEU 33 -1.386 -6.557 -4.173 284 2HD1 LEU 33 2HD1 LEU 33 -1.591 -6.829 -2.430 285 3HD1 LEU 33 3HD1 LEU 33 -0.826 -5.347 -3.017 286 1HD2 LEU 33 1HD2 LEU 33 1.184 -5.687 -1.683 287 2HD2 LEU 33 2HD2 LEU 33 0.617 -7.219 -1.010 288 3HD2 LEU 33 3HD2 LEU 33 2.170 -7.141 -1.895 289 H SER 34 H SER 34 -0.301 -11.495 -3.584 290 HA SER 34 HA SER 34 1.695 -12.501 -5.253 291 1HB SER 34 1HB SER 34 0.947 -14.762 -4.588 292 2HB SER 34 2HB SER 34 1.164 -13.642 -3.232 293 HG SER 34 HG SER 34 -1.101 -13.320 -3.239 294 H LYS 35 H LYS 35 -1.847 -12.479 -5.830 295 HA LYS 35 HA LYS 35 -1.807 -14.012 -8.241 296 1HB LYS 35 1HB LYS 35 -3.621 -11.775 -7.260 297 2HB LYS 35 2HB LYS 35 -3.893 -12.655 -8.770 298 1HG LYS 35 1HG LYS 35 -4.318 -14.701 -7.672 299 2HG LYS 35 2HG LYS 35 -3.640 -14.135 -6.139 300 1HD LYS 35 1HD LYS 35 -6.138 -14.197 -6.129 301 2HD LYS 35 2HD LYS 35 -5.466 -12.604 -5.775 302 1HE LYS 35 1HE LYS 35 -5.939 -11.889 -8.129 303 2HE LYS 35 2HE LYS 35 -6.616 -13.498 -8.458 304 1HZ LYS 35 1HZ LYS 35 -8.241 -13.015 -6.726 305 2HZ LYS 35 2HZ LYS 35 -8.295 -11.918 -7.955 306 3HZ LYS 35 3HZ LYS 35 -7.590 -11.507 -6.527 307 H THR 36 H THR 36 -1.607 -10.436 -7.763 308 HA THR 36 HA THR 36 -1.450 -9.925 -10.607 309 HB THR 36 HB THR 36 -0.887 -7.586 -9.846 310 HG1 THR 36 HG1 THR 36 -1.463 -8.638 -7.271 311 1HG2 THR 36 1HG2 THR 36 -3.364 -8.918 -8.646 312 2HG2 THR 36 2HG2 THR 36 -3.146 -7.176 -8.904 313 3HG2 THR 36 3HG2 THR 36 -3.208 -8.278 -10.293 314 H SER 37 H SER 37 1.005 -10.017 -8.033 315 HA SER 37 HA SER 37 3.108 -10.590 -10.019 316 1HB SER 37 1HB SER 37 3.121 -8.213 -8.121 317 2HB SER 37 2HB SER 37 4.578 -8.842 -8.913 318 HG SER 37 HG SER 37 2.439 -8.459 -10.621 319 H THR 38 H THR 38 3.482 -12.598 -9.212 320 HA THR 38 HA THR 38 3.121 -13.388 -6.587 321 HB THR 38 HB THR 38 4.757 -14.834 -8.665 322 HG1 THR 38 HG1 THR 38 1.970 -14.296 -8.475 323 1HG2 THR 38 1HG2 THR 38 3.566 -16.795 -7.749 324 2HG2 THR 38 2HG2 THR 38 4.474 -15.981 -6.462 325 3HG2 THR 38 3HG2 THR 38 2.713 -15.764 -6.583 326 H TRP 39 H TRP 39 4.408 -11.532 -5.643 327 HA TRP 39 HA TRP 39 7.227 -12.140 -5.092 328 1HB TRP 39 1HB TRP 39 5.237 -10.159 -3.902 329 2HB TRP 39 2HB TRP 39 6.961 -10.198 -3.561 330 HD1 TRP 39 HD1 TRP 39 8.349 -10.216 -6.220 331 HE1 TRP 39 HE1 TRP 39 8.196 -8.242 -7.883 332 HE3 TRP 39 HE3 TRP 39 3.934 -8.132 -4.653 333 HZ2 TRP 39 HZ2 TRP 39 6.450 -6.043 -8.409 334 HZ3 TRP 39 HZ3 TRP 39 3.054 -6.111 -5.779 335 HH2 TRP 39 HH2 TRP 39 4.337 -5.027 -7.610 336 H SER 40 H SER 40 7.936 -12.992 -3.023 337 HA SER 40 HA SER 40 6.109 -14.920 -1.949 338 1HB SER 40 1HB SER 40 7.898 -15.583 -0.493 339 2HB SER 40 2HB SER 40 8.581 -15.225 -2.081 340 HG SER 40 HG SER 40 9.097 -13.077 -1.152 341 HA PRO 41 HA PRO 41 3.962 -12.740 1.263 342 1HB PRO 41 1HB PRO 41 5.082 -14.859 3.127 343 2HB PRO 41 2HB PRO 41 3.450 -14.128 3.132 344 1HG PRO 41 1HG PRO 41 3.763 -16.491 1.886 345 2HG PRO 41 2HG PRO 41 2.916 -15.185 1.017 346 1HD PRO 41 1HD PRO 41 5.808 -16.033 0.703 347 2HD PRO 41 2HD PRO 41 4.581 -15.676 -0.553 348 H LYS 42 H LYS 42 7.238 -13.831 2.375 349 HA LYS 42 HA LYS 42 7.640 -11.711 4.199 350 1HB LYS 42 1HB LYS 42 10.054 -12.189 3.956 351 2HB LYS 42 2HB LYS 42 9.052 -13.602 4.311 352 1HG LYS 42 1HG LYS 42 9.175 -14.338 1.969 353 2HG LYS 42 2HG LYS 42 10.094 -12.879 1.542 354 1HD LYS 42 1HD LYS 42 11.967 -13.567 2.898 355 2HD LYS 42 2HD LYS 42 11.042 -14.898 3.612 356 1HE LYS 42 1HE LYS 42 12.620 -15.670 1.841 357 2HE LYS 42 2HE LYS 42 10.933 -16.078 1.491 358 1HZ LYS 42 1HZ LYS 42 12.089 -15.214 -0.414 359 2HZ LYS 42 2HZ LYS 42 10.822 -14.246 0.002 360 3HZ LYS 42 3HZ LYS 42 12.369 -13.783 0.356 361 H THR 43 H THR 43 8.201 -11.819 0.652 362 HA THR 43 HA THR 43 9.547 -9.294 0.475 363 HB THR 43 HB THR 43 7.797 -10.656 -1.606 364 HG1 THR 43 HG1 THR 43 10.525 -11.056 -0.990 365 1HG2 THR 43 1HG2 THR 43 9.341 -9.584 -3.215 366 2HG2 THR 43 2HG2 THR 43 8.465 -8.391 -2.242 367 3HG2 THR 43 3HG2 THR 43 10.165 -8.759 -1.875 368 H ILE 44 H ILE 44 6.096 -10.289 -0.003 369 HA ILE 44 HA ILE 44 4.994 -7.759 -0.391 370 HB ILE 44 HB ILE 44 3.863 -10.290 0.881 371 1HG1 ILE 44 1HG1 ILE 44 3.819 -9.101 -1.913 372 2HG1 ILE 44 2HG1 ILE 44 4.736 -10.496 -1.429 373 1HG2 ILE 44 1HG2 ILE 44 2.443 -8.619 1.673 374 2HG2 ILE 44 2HG2 ILE 44 2.614 -7.619 0.231 375 3HG2 ILE 44 3HG2 ILE 44 1.641 -9.101 0.180 376 1HD1 ILE 44 1HD1 ILE 44 2.748 -11.792 -0.932 377 2HD1 ILE 44 2HD1 ILE 44 1.718 -10.461 -1.509 378 3HD1 ILE 44 3HD1 ILE 44 2.826 -11.263 -2.621 379 H GLN 45 H GLN 45 5.441 -9.489 2.707 380 HA GLN 45 HA GLN 45 4.439 -7.517 4.464 381 1HB GLN 45 1HB GLN 45 6.623 -9.591 4.779 382 2HB GLN 45 2HB GLN 45 6.000 -8.615 6.117 383 1HG GLN 45 1HG GLN 45 3.850 -9.593 6.023 384 2HG GLN 45 2HG GLN 45 4.057 -10.195 4.382 385 1HE2 GLN 45 1HE2 GLN 45 6.193 -10.533 7.288 386 2HE2 GLN 45 2HE2 GLN 45 6.163 -12.288 7.251 387 H THR 46 H THR 46 7.748 -7.938 3.109 388 HA THR 46 HA THR 46 8.866 -5.670 4.389 389 HB THR 46 HB THR 46 9.673 -6.783 1.670 390 HG1 THR 46 HG1 THR 46 9.654 -8.388 3.307 391 1HG2 THR 46 1HG2 THR 46 11.209 -5.229 3.791 392 2HG2 THR 46 2HG2 THR 46 10.720 -4.605 2.200 393 3HG2 THR 46 3HG2 THR 46 11.893 -5.928 2.311 394 H MET 47 H MET 47 7.295 -5.907 1.102 395 HA MET 47 HA MET 47 7.557 -3.181 0.435 396 1HB MET 47 1HB MET 47 5.363 -5.166 -0.308 397 2HB MET 47 2HB MET 47 5.556 -3.557 -1.016 398 1HG MET 47 1HG MET 47 7.842 -4.143 -1.743 399 2HG MET 47 2HG MET 47 7.623 -5.784 -1.141 400 1HE MET 47 1HE MET 47 7.664 -5.944 -5.107 401 2HE MET 47 2HE MET 47 8.478 -4.718 -4.113 402 3HE MET 47 3HE MET 47 8.521 -6.430 -3.628 403 H LEU 48 H LEU 48 4.921 -4.784 2.282 404 HA LEU 48 HA LEU 48 3.339 -2.433 2.625 405 1HB LEU 48 1HB LEU 48 3.666 -4.907 4.360 406 2HB LEU 48 2HB LEU 48 2.408 -3.694 4.621 407 HG LEU 48 HG LEU 48 2.722 -5.028 1.898 408 1HD1 LEU 48 1HD1 LEU 48 2.540 -6.825 3.599 409 2HD1 LEU 48 2HD1 LEU 48 1.158 -6.729 2.520 410 3HD1 LEU 48 3HD1 LEU 48 1.031 -6.100 4.179 411 1HD2 LEU 48 1HD2 LEU 48 0.334 -4.496 1.717 412 2HD2 LEU 48 2HD2 LEU 48 1.265 -3.028 2.039 413 3HD2 LEU 48 3HD2 LEU 48 0.347 -3.794 3.347 414 H LEU 49 H LEU 49 5.910 -3.834 4.717 415 HA LEU 49 HA LEU 49 5.924 -1.787 6.672 416 1HB LEU 49 1HB LEU 49 7.062 -3.917 6.883 417 2HB LEU 49 2HB LEU 49 8.247 -3.478 5.656 418 HG LEU 49 HG LEU 49 7.904 -1.603 7.995 419 1HD1 LEU 49 1HD1 LEU 49 9.430 -2.970 9.375 420 2HD1 LEU 49 2HD1 LEU 49 9.344 -4.279 8.174 421 3HD1 LEU 49 3HD1 LEU 49 7.892 -3.798 9.081 422 1HD2 LEU 49 1HD2 LEU 49 10.348 -1.381 7.746 423 2HD2 LEU 49 2HD2 LEU 49 10.362 -2.662 6.519 424 3HD2 LEU 49 3HD2 LEU 49 9.578 -1.107 6.180 425 H ARG 50 H ARG 50 7.523 -1.990 3.467 426 HA ARG 50 HA ARG 50 8.955 0.441 3.679 427 1HB ARG 50 1HB ARG 50 7.887 -0.850 1.139 428 2HB ARG 50 2HB ARG 50 8.945 0.533 1.218 429 1HG ARG 50 1HG ARG 50 9.726 -2.036 2.595 430 2HG ARG 50 2HG ARG 50 9.958 -1.828 0.855 431 1HD ARG 50 1HD ARG 50 11.259 0.194 1.229 432 2HD ARG 50 2HD ARG 50 11.114 0.042 2.983 433 HE ARG 50 HE ARG 50 12.909 -1.378 1.218 434 1HH1 ARG 50 1HH1 ARG 50 11.105 -1.731 4.232 435 2HH1 ARG 50 2HH1 ARG 50 12.205 -2.890 4.927 436 1HH2 ARG 50 1HH2 ARG 50 14.337 -2.922 2.090 437 2HH2 ARG 50 2HH2 ARG 50 14.063 -3.596 3.672 438 H LEU 51 H LEU 51 5.601 0.053 1.991 439 HA LEU 51 HA LEU 51 5.179 2.750 1.711 440 1HB LEU 51 1HB LEU 51 3.314 0.501 2.302 441 2HB LEU 51 2HB LEU 51 2.773 2.169 2.097 442 HG LEU 51 HG LEU 51 2.565 1.083 0.146 443 1HD1 LEU 51 1HD1 LEU 51 3.619 2.500 -1.507 444 2HD1 LEU 51 2HD1 LEU 51 3.312 3.462 -0.082 445 3HD1 LEU 51 3HD1 LEU 51 4.954 2.891 -0.426 446 1HD2 LEU 51 1HD2 LEU 51 4.119 0.108 -1.313 447 2HD2 LEU 51 2HD2 LEU 51 5.428 0.340 -0.131 448 3HD2 LEU 51 3HD2 LEU 51 4.030 -0.731 0.240 449 H ILE 52 H ILE 52 4.698 0.900 4.781 450 HA ILE 52 HA ILE 52 3.496 3.064 6.157 451 HB ILE 52 HB ILE 52 5.114 0.704 7.152 452 1HG1 ILE 52 1HG1 ILE 52 2.125 1.250 7.309 453 2HG1 ILE 52 2HG1 ILE 52 2.824 0.490 5.890 454 1HG2 ILE 52 1HG2 ILE 52 3.467 2.726 8.742 455 2HG2 ILE 52 2HG2 ILE 52 4.094 1.198 9.390 456 3HG2 ILE 52 3HG2 ILE 52 5.216 2.455 8.879 457 1HD1 ILE 52 1HD1 ILE 52 1.941 -1.195 7.414 458 2HD1 ILE 52 2HD1 ILE 52 3.694 -1.368 7.232 459 3HD1 ILE 52 3HD1 ILE 52 3.022 -0.643 8.705 460 H LYS 53 H LYS 53 6.983 2.223 5.851 461 HA LYS 53 HA LYS 53 7.820 4.498 7.434 462 1HB LYS 53 1HB LYS 53 9.059 2.338 7.146 463 2HB LYS 53 2HB LYS 53 9.424 2.811 5.478 464 1HG LYS 53 1HG LYS 53 10.578 4.856 6.355 465 2HG LYS 53 2HG LYS 53 10.214 4.328 8.010 466 1HD LYS 53 1HD LYS 53 11.477 2.204 7.583 467 2HD LYS 53 2HD LYS 53 11.912 2.799 5.973 468 1HE LYS 53 1HE LYS 53 12.652 4.113 8.637 469 2HE LYS 53 2HE LYS 53 13.732 3.140 7.626 470 1HZ LYS 53 1HZ LYS 53 12.499 5.688 6.849 471 2HZ LYS 53 2HZ LYS 53 14.074 5.450 7.262 472 3HZ LYS 53 3HZ LYS 53 13.472 4.767 5.889 473 H LYS 54 H LYS 54 7.479 3.843 3.994 474 HA LYS 54 HA LYS 54 8.842 6.057 2.927 475 1HB LYS 54 1HB LYS 54 7.022 3.902 1.828 476 2HB LYS 54 2HB LYS 54 7.766 5.078 0.805 477 1HG LYS 54 1HG LYS 54 9.392 3.215 2.572 478 2HG LYS 54 2HG LYS 54 8.945 2.929 0.883 479 1HD LYS 54 1HD LYS 54 10.074 5.194 0.347 480 2HD LYS 54 2HD LYS 54 10.742 5.120 1.985 481 1HE LYS 54 1HE LYS 54 12.394 4.236 0.498 482 2HE LYS 54 2HE LYS 54 11.725 2.848 1.373 483 1HZ LYS 54 1HZ LYS 54 11.945 2.449 -0.981 484 2HZ LYS 54 2HZ LYS 54 10.972 3.726 -1.339 485 3HZ LYS 54 3HZ LYS 54 10.351 2.412 -0.568 486 H GLY 55 H GLY 55 6.642 6.960 4.727 487 1HA GLY 55 1HA GLY 55 5.347 8.904 4.548 488 2HA GLY 55 2HA GLY 55 5.832 8.946 2.826 489 H ALA 56 H ALA 56 4.158 5.940 3.647 490 HA ALA 56 HA ALA 56 1.809 7.098 2.185 491 1HB ALA 56 1HB ALA 56 1.723 4.813 1.129 492 2HB ALA 56 2HB ALA 56 3.150 5.795 0.711 493 3HB ALA 56 3HB ALA 56 3.273 4.479 1.873 494 H LEU 57 H LEU 57 2.509 4.221 4.278 495 HA LEU 57 HA LEU 57 -0.482 4.082 4.643 496 1HB LEU 57 1HB LEU 57 1.654 2.100 4.117 497 2HB LEU 57 2HB LEU 57 0.515 1.635 5.369 498 HG LEU 57 HG LEU 57 -1.380 1.912 3.945 499 1HD1 LEU 57 1HD1 LEU 57 -0.577 3.773 2.412 500 2HD1 LEU 57 2HD1 LEU 57 0.494 2.610 1.627 501 3HD1 LEU 57 3HD1 LEU 57 -1.268 2.387 1.583 502 1HD2 LEU 57 1HD2 LEU 57 0.759 0.345 2.441 503 2HD2 LEU 57 2HD2 LEU 57 0.060 -0.194 3.977 504 3HD2 LEU 57 3HD2 LEU 57 -0.980 -0.002 2.560 505 H ASN 58 H ASN 58 -1.506 3.463 6.467 506 HA ASN 58 HA ASN 58 0.037 3.376 9.016 507 1HB ASN 58 1HB ASN 58 -1.152 5.539 8.785 508 2HB ASN 58 2HB ASN 58 -2.658 4.692 8.428 509 1HD2 ASN 58 1HD2 ASN 58 -0.114 5.011 10.972 510 2HD2 ASN 58 2HD2 ASN 58 -1.193 4.594 12.294 511 H HIS 59 H HIS 59 -0.240 1.260 9.833 512 HA HIS 59 HA HIS 59 -2.559 -0.264 8.825 513 1HB HIS 59 1HB HIS 59 -1.338 -2.230 9.541 514 2HB HIS 59 2HB HIS 59 -0.482 -1.264 8.340 515 HD2 HIS 59 HD2 HIS 59 1.178 -3.333 10.157 516 HE1 HIS 59 HE1 HIS 59 2.704 0.183 11.961 517 HE2 HIS 59 HE2 HIS 59 3.087 -2.323 11.661 518 H HIS 60 H HIS 60 -3.963 -1.290 10.126 519 HA HIS 60 HA HIS 60 -4.071 -0.551 13.026 520 1HB HIS 60 1HB HIS 60 -5.714 0.786 11.921 521 2HB HIS 60 2HB HIS 60 -6.165 -0.532 10.830 522 HD2 HIS 60 HD2 HIS 60 -8.624 -1.305 11.469 523 HE1 HIS 60 HE1 HIS 60 -8.157 -1.387 15.674 524 HE2 HIS 60 HE2 HIS 60 -9.767 -1.903 13.746 525 H LYS 61 H LYS 61 -4.939 -2.193 14.360 526 HA LYS 61 HA LYS 61 -4.697 -4.976 13.298 527 1HB LYS 61 1HB LYS 61 -4.822 -3.889 16.130 528 2HB LYS 61 2HB LYS 61 -4.676 -5.598 15.676 529 1HG LYS 61 1HG LYS 61 -2.550 -5.033 14.443 530 2HG LYS 61 2HG LYS 61 -2.646 -3.387 15.084 531 1HD LYS 61 1HD LYS 61 -2.448 -5.951 16.742 532 2HD LYS 61 2HD LYS 61 -1.116 -4.842 16.379 533 1HE LYS 61 1HE LYS 61 -2.366 -3.002 17.559 534 2HE LYS 61 2HE LYS 61 -3.604 -4.186 18.028 535 1HZ LYS 61 1HZ LYS 61 -0.767 -4.313 18.750 536 2HZ LYS 61 2HZ LYS 61 -2.006 -3.869 19.740 537 3HZ LYS 61 3HZ LYS 61 -1.919 -5.413 19.173 538 H GLU 62 H GLU 62 -6.722 -5.399 12.276 539 HA GLU 62 HA GLU 62 -9.142 -4.324 13.596 540 1HB GLU 62 1HB GLU 62 -8.664 -4.212 11.077 541 2HB GLU 62 2HB GLU 62 -8.984 -5.951 11.047 542 1HG GLU 62 1HG GLU 62 -11.040 -4.928 10.483 543 2HG GLU 62 2HG GLU 62 -11.247 -5.381 12.179 544 H GLY 63 H GLY 63 -8.631 -5.617 15.458 545 1HA GLY 63 1HA GLY 63 -9.371 -7.223 16.920 546 2HA GLY 63 2HA GLY 63 -10.410 -7.877 15.651 547 H ARG 64 H ARG 64 -9.080 -9.051 13.859 548 HA ARG 64 HA ARG 64 -7.207 -10.975 15.206 549 1HB ARG 64 1HB ARG 64 -9.109 -11.496 12.945 550 2HB ARG 64 2HB ARG 64 -8.000 -12.676 13.665 551 1HG ARG 64 1HG ARG 64 -10.539 -11.427 14.706 552 2HG ARG 64 2HG ARG 64 -10.181 -13.150 14.486 553 1HD ARG 64 1HD ARG 64 -9.127 -11.213 16.492 554 2HD ARG 64 2HD ARG 64 -10.195 -12.562 16.870 555 HE ARG 64 HE ARG 64 -8.302 -14.069 16.124 556 1HH1 ARG 64 1HH1 ARG 64 -7.451 -10.828 17.439 557 2HH1 ARG 64 2HH1 ARG 64 -6.076 -11.448 18.291 558 1HH2 ARG 64 1HH2 ARG 64 -6.414 -14.759 17.126 559 2HH2 ARG 64 2HH2 ARG 64 -5.416 -13.653 18.030 560 H VAL 65 H VAL 65 -7.989 -9.508 12.016 561 HA VAL 65 HA VAL 65 -5.144 -9.951 11.219 562 HB VAL 65 HB VAL 65 -6.521 -11.133 9.784 563 1HG1 VAL 65 1HG1 VAL 65 -8.352 -10.097 8.406 564 2HG1 VAL 65 2HG1 VAL 65 -8.185 -8.603 9.348 565 3HG1 VAL 65 3HG1 VAL 65 -8.742 -10.100 10.128 566 1HG2 VAL 65 1HG2 VAL 65 -5.829 -8.630 8.257 567 2HG2 VAL 65 2HG2 VAL 65 -4.683 -9.917 8.714 568 3HG2 VAL 65 3HG2 VAL 65 -6.031 -10.266 7.621 569 H PHE 66 H PHE 66 -4.188 -8.287 10.031 570 HA PHE 66 HA PHE 66 -5.014 -5.623 11.062 571 1HB PHE 66 1HB PHE 66 -2.662 -4.934 10.456 572 2HB PHE 66 2HB PHE 66 -2.949 -5.880 11.895 573 HD1 PHE 66 HD1 PHE 66 -2.617 -8.442 11.848 574 HD2 PHE 66 HD2 PHE 66 -0.830 -5.645 9.093 575 HE1 PHE 66 HE1 PHE 66 -0.868 -10.101 11.297 576 HE2 PHE 66 HE2 PHE 66 0.978 -7.273 8.632 577 HZ PHE 66 HZ PHE 66 0.933 -9.524 9.682 578 H VAL 67 H VAL 67 -5.259 -3.895 9.812 579 HA VAL 67 HA VAL 67 -5.733 -4.338 6.918 580 HB VAL 67 HB VAL 67 -7.246 -2.716 9.009 581 1HG1 VAL 67 1HG1 VAL 67 -7.234 -1.405 6.931 582 2HG1 VAL 67 2HG1 VAL 67 -8.829 -2.106 7.205 583 3HG1 VAL 67 3HG1 VAL 67 -7.747 -2.833 6.004 584 1HG2 VAL 67 1HG2 VAL 67 -9.140 -4.166 8.473 585 2HG2 VAL 67 2HG2 VAL 67 -7.764 -5.176 8.945 586 3HG2 VAL 67 3HG2 VAL 67 -8.193 -5.003 7.232 587 H TYR 68 H TYR 68 -4.970 -2.821 5.512 588 HA TYR 68 HA TYR 68 -3.113 -0.776 6.663 589 1HB TYR 68 1HB TYR 68 -3.420 -1.707 3.790 590 2HB TYR 68 2HB TYR 68 -2.206 -0.619 4.454 591 HD1 TYR 68 HD1 TYR 68 -0.440 -1.499 6.024 592 HD2 TYR 68 HD2 TYR 68 -3.273 -4.093 4.069 593 HE1 TYR 68 HE1 TYR 68 0.736 -3.490 6.948 594 HE2 TYR 68 HE2 TYR 68 -2.062 -6.049 4.931 595 HH TYR 68 HH TYR 68 -0.705 -6.706 6.711 596 H THR 69 H THR 69 -3.843 1.286 6.816 597 HA THR 69 HA THR 69 -6.081 2.154 5.053 598 HB THR 69 HB THR 69 -6.594 3.820 6.568 599 HG1 THR 69 HG1 THR 69 -4.366 2.891 8.050 600 1HG2 THR 69 1HG2 THR 69 -6.309 1.154 8.037 601 2HG2 THR 69 2HG2 THR 69 -7.596 1.565 6.879 602 3HG2 THR 69 3HG2 THR 69 -7.457 2.452 8.409 603 HA PRO 70 HA PRO 70 -2.655 4.373 3.137 604 1HB PRO 70 1HB PRO 70 -4.932 5.646 1.609 605 2HB PRO 70 2HB PRO 70 -3.387 4.995 0.980 606 1HG PRO 70 1HG PRO 70 -5.673 3.560 0.719 607 2HG PRO 70 2HG PRO 70 -4.161 2.766 1.265 608 1HD PRO 70 1HD PRO 70 -6.455 3.761 2.996 609 2HD PRO 70 2HD PRO 70 -5.638 2.174 3.004 610 H ASN 71 H ASN 71 -1.720 6.324 3.764 611 HA ASN 71 HA ASN 71 -3.343 8.371 5.159 612 1HB ASN 71 1HB ASN 71 -0.958 7.370 5.737 613 2HB ASN 71 2HB ASN 71 -0.400 8.481 4.478 614 1HD2 ASN 71 1HD2 ASN 71 -1.634 10.867 4.951 615 2HD2 ASN 71 2HD2 ASN 71 -1.396 11.380 6.620 616 H ILE 72 H ILE 72 -2.842 7.569 2.018 617 HA ILE 72 HA ILE 72 -2.800 10.290 0.876 618 HB ILE 72 HB ILE 72 -1.141 9.222 -0.822 619 1HG1 ILE 72 1HG1 ILE 72 -0.474 7.412 1.537 620 2HG1 ILE 72 2HG1 ILE 72 -1.559 6.873 0.263 621 1HG2 ILE 72 1HG2 ILE 72 -0.453 10.998 0.733 622 2HG2 ILE 72 2HG2 ILE 72 0.835 9.820 0.520 623 3HG2 ILE 72 3HG2 ILE 72 -0.114 9.789 1.995 624 1HD1 ILE 72 1HD1 ILE 72 0.548 6.042 -0.235 625 2HD1 ILE 72 2HD1 ILE 72 0.292 7.344 -1.404 626 3HD1 ILE 72 3HD1 ILE 72 1.355 7.583 0.010 627 H ASP 73 H ASP 73 -3.366 10.196 -1.417 628 HA ASP 73 HA ASP 73 -5.009 7.878 -2.292 629 1HB ASP 73 1HB ASP 73 -6.529 9.578 -1.373 630 2HB ASP 73 2HB ASP 73 -5.760 10.838 -2.352 631 H GLU 74 H GLU 74 -5.201 7.878 -4.626 632 HA GLU 74 HA GLU 74 -2.942 8.165 -6.168 633 1HB GLU 74 1HB GLU 74 -5.808 8.659 -7.150 634 2HB GLU 74 2HB GLU 74 -4.400 8.216 -8.115 635 1HG GLU 74 1HG GLU 74 -5.424 6.212 -7.924 636 2HG GLU 74 2HG GLU 74 -4.306 6.084 -6.563 637 H SER 75 H SER 75 -5.580 10.553 -5.818 638 HA SER 75 HA SER 75 -4.608 12.603 -7.410 639 1HB SER 75 1HB SER 75 -6.173 13.004 -4.832 640 2HB SER 75 2HB SER 75 -6.242 13.922 -6.344 641 HG SER 75 HG SER 75 -7.300 11.383 -5.743 642 H ASP 76 H ASP 76 -3.499 11.665 -4.192 643 HA ASP 76 HA ASP 76 -2.128 14.256 -3.734 644 1HB ASP 76 1HB ASP 76 -3.171 13.124 -1.799 645 2HB ASP 76 2HB ASP 76 -2.127 11.712 -2.072 646 H TYR 77 H TYR 77 -1.475 10.799 -4.490 647 HA TYR 77 HA TYR 77 1.365 11.026 -4.532 648 1HB TYR 77 1HB TYR 77 0.356 8.821 -4.563 649 2HB TYR 77 2HB TYR 77 -0.526 9.198 -6.039 650 HD1 TYR 77 HD1 TYR 77 0.258 7.784 -7.738 651 HD2 TYR 77 HD2 TYR 77 3.121 9.624 -5.082 652 HE1 TYR 77 HE1 TYR 77 2.091 7.124 -9.249 653 HE2 TYR 77 HE2 TYR 77 4.954 8.910 -6.576 654 HH TYR 77 HH TYR 77 4.373 7.111 -9.604 655 H ILE 78 H ILE 78 -1.019 11.326 -7.201 656 HA ILE 78 HA ILE 78 1.008 12.785 -8.851 657 HB ILE 78 HB ILE 78 -1.639 11.556 -9.721 658 1HG1 ILE 78 1HG1 ILE 78 1.176 10.408 -9.761 659 2HG1 ILE 78 2HG1 ILE 78 -0.272 9.754 -8.976 660 1HG2 ILE 78 1HG2 ILE 78 -0.784 11.946 -11.972 661 2HG2 ILE 78 2HG2 ILE 78 -0.703 13.464 -11.089 662 3HG2 ILE 78 3HG2 ILE 78 0.774 12.510 -11.329 663 1HD1 ILE 78 1HD1 ILE 78 -1.331 9.441 -11.216 664 2HD1 ILE 78 2HD1 ILE 78 0.224 9.891 -11.965 665 3HD1 ILE 78 3HD1 ILE 78 0.120 8.457 -10.935 666 H GLU 79 H GLU 79 0.811 14.839 -7.794 667 HA GLU 79 HA GLU 79 -1.747 15.991 -7.187 668 1HB GLU 79 1HB GLU 79 1.051 17.169 -7.475 669 2HB GLU 79 2HB GLU 79 -0.364 18.007 -6.833 670 1HG GLU 79 1HG GLU 79 -0.574 16.254 -5.051 671 2HG GLU 79 2HG GLU 79 0.907 15.503 -5.661 672 H VAL 80 H VAL 80 -3.042 16.017 -9.011 673 HA VAL 80 HA VAL 80 -2.177 17.046 -11.549 674 HB VAL 80 HB VAL 80 -4.567 16.987 -12.136 675 1HG1 VAL 80 1HG1 VAL 80 -3.134 14.973 -12.327 676 2HG1 VAL 80 2HG1 VAL 80 -4.828 14.567 -12.003 677 3HG1 VAL 80 3HG1 VAL 80 -3.632 14.469 -10.699 678 1HG2 VAL 80 1HG2 VAL 80 -5.070 16.049 -9.273 679 2HG2 VAL 80 2HG2 VAL 80 -5.618 17.584 -9.978 680 3HG2 VAL 80 3HG2 VAL 80 -6.237 16.053 -10.603 681 H LYS 81 H LYS 81 -2.393 19.078 -12.461 682 HA LYS 81 HA LYS 81 -3.827 21.268 -11.392 683 1HB LYS 81 1HB LYS 81 -1.781 22.620 -10.726 684 2HB LYS 81 2HB LYS 81 -2.221 21.346 -9.592 685 1HG LYS 81 1HG LYS 81 -0.482 19.867 -10.528 686 2HG LYS 81 2HG LYS 81 -0.022 21.113 -11.700 687 1HD LYS 81 1HD LYS 81 0.660 22.618 -9.911 688 2HD LYS 81 2HD LYS 81 0.047 21.513 -8.669 689 1HE LYS 81 1HE LYS 81 2.272 20.799 -10.640 690 2HE LYS 81 2HE LYS 81 2.548 21.413 -9.001 691 1HZ LYS 81 1HZ LYS 81 1.099 18.926 -9.626 692 2HZ LYS 81 2HZ LYS 81 1.413 19.529 -8.129 693 3HZ LYS 81 3HZ LYS 81 2.653 19.037 -9.092 694 H SER 82 H SER 82 -2.744 23.374 -12.594 695 HA SER 82 HA SER 82 -1.264 23.031 -14.946 696 1HB SER 82 1HB SER 82 -4.297 23.359 -15.188 697 2HB SER 82 2HB SER 82 -3.145 23.774 -16.465 698 HG SER 82 HG SER 82 -2.933 21.208 -15.398 Start of MODEL 15 1 1H MET 1 1H MET 1 7.662 12.405 -0.268 2 2H MET 1 2H MET 1 6.343 13.382 -0.238 3 3H MET 1 3H MET 1 6.451 12.292 -1.410 4 HA MET 1 HA MET 1 8.454 14.438 -1.072 5 1HB MET 1 1HB MET 1 7.548 12.991 -3.612 6 2HB MET 1 2HB MET 1 8.955 14.051 -3.424 7 1HG MET 1 1HG MET 1 8.560 11.264 -2.288 8 2HG MET 1 2HG MET 1 9.720 11.777 -3.503 9 1HE MET 1 1HE MET 1 11.875 13.101 -3.060 10 2HE MET 1 2HE MET 1 12.407 13.674 -1.464 11 3HE MET 1 3HE MET 1 11.026 14.453 -2.264 12 H LYS 2 H LYS 2 7.571 15.529 -3.792 13 HA LYS 2 HA LYS 2 5.576 17.400 -2.981 14 1HB LYS 2 1HB LYS 2 7.098 17.626 -4.970 15 2HB LYS 2 2HB LYS 2 6.172 16.358 -5.797 16 1HG LYS 2 1HG LYS 2 4.096 17.817 -5.467 17 2HG LYS 2 2HG LYS 2 5.163 19.095 -4.881 18 1HD LYS 2 1HD LYS 2 5.277 17.767 -7.637 19 2HD LYS 2 2HD LYS 2 4.534 19.328 -7.271 20 1HE LYS 2 1HE LYS 2 6.762 20.195 -6.509 21 2HE LYS 2 2HE LYS 2 7.503 18.658 -6.999 22 1HZ LYS 2 1HZ LYS 2 6.079 20.506 -8.773 23 2HZ LYS 2 2HZ LYS 2 6.763 19.075 -9.222 24 3HZ LYS 2 3HZ LYS 2 7.712 20.309 -8.682 25 H LYS 3 H LYS 3 5.512 14.329 -4.740 26 HA LYS 3 HA LYS 3 2.639 13.784 -4.458 27 1HB LYS 3 1HB LYS 3 5.149 12.094 -4.990 28 2HB LYS 3 2HB LYS 3 3.508 11.432 -4.948 29 1HG LYS 3 1HG LYS 3 2.837 12.678 -6.855 30 2HG LYS 3 2HG LYS 3 4.224 13.772 -6.752 31 1HD LYS 3 1HD LYS 3 5.756 11.952 -7.406 32 2HD LYS 3 2HD LYS 3 4.400 10.817 -7.464 33 1HE LYS 3 1HE LYS 3 4.968 11.590 -9.718 34 2HE LYS 3 2HE LYS 3 3.337 12.108 -9.272 35 1HZ LYS 3 1HZ LYS 3 4.192 14.275 -8.793 36 2HZ LYS 3 2HZ LYS 3 4.591 13.838 -10.328 37 3HZ LYS 3 3HZ LYS 3 5.733 13.798 -9.142 38 H ILE 4 H ILE 4 2.034 13.887 -2.309 39 HA ILE 4 HA ILE 4 3.458 14.315 -0.134 40 HB ILE 4 HB ILE 4 0.900 12.747 -0.352 41 1HG1 ILE 4 1HG1 ILE 4 0.987 15.159 -1.051 42 2HG1 ILE 4 2HG1 ILE 4 -0.190 14.738 0.189 43 1HG2 ILE 4 1HG2 ILE 4 1.768 12.019 1.793 44 2HG2 ILE 4 2HG2 ILE 4 0.540 13.250 2.083 45 3HG2 ILE 4 3HG2 ILE 4 2.264 13.666 2.212 46 1HD1 ILE 4 1HD1 ILE 4 1.238 15.735 1.930 47 2HD1 ILE 4 2HD1 ILE 4 0.905 16.885 0.631 48 3HD1 ILE 4 3HD1 ILE 4 2.489 16.107 0.719 49 HA PRO 5 HA PRO 5 4.352 9.965 1.469 50 1HB PRO 5 1HB PRO 5 4.129 7.748 -0.155 51 2HB PRO 5 2HB PRO 5 2.861 8.377 0.889 52 1HG PRO 5 1HG PRO 5 3.153 8.947 -2.044 53 2HG PRO 5 2HG PRO 5 1.699 8.439 -1.193 54 1HD PRO 5 1HD PRO 5 2.212 11.018 -1.811 55 2HD PRO 5 2HD PRO 5 1.473 10.624 -0.239 56 H GLN 6 H GLN 6 6.241 8.558 1.401 57 HA GLN 6 HA GLN 6 8.319 9.781 -0.210 58 1HB GLN 6 1HB GLN 6 8.614 7.834 2.072 59 2HB GLN 6 2HB GLN 6 9.906 8.709 1.264 60 1HG GLN 6 1HG GLN 6 7.620 10.015 2.819 61 2HG GLN 6 2HG GLN 6 9.240 9.715 3.442 62 1HE2 GLN 6 1HE2 GLN 6 11.043 10.963 2.614 63 2HE2 GLN 6 2HE2 GLN 6 10.752 12.438 1.713 64 H ILE 7 H ILE 7 7.061 8.550 -2.076 65 HA ILE 7 HA ILE 7 7.242 5.656 -2.105 66 HB ILE 7 HB ILE 7 6.316 7.651 -4.167 67 1HG1 ILE 7 1HG1 ILE 7 5.003 7.813 -2.214 68 2HG1 ILE 7 2HG1 ILE 7 4.043 6.955 -3.412 69 1HG2 ILE 7 1HG2 ILE 7 5.937 4.620 -4.192 70 2HG2 ILE 7 2HG2 ILE 7 4.970 5.757 -5.129 71 3HG2 ILE 7 3HG2 ILE 7 6.694 5.641 -5.437 72 1HD1 ILE 7 1HD1 ILE 7 5.408 5.772 -0.951 73 2HD1 ILE 7 2HD1 ILE 7 3.694 5.846 -1.333 74 3HD1 ILE 7 3HD1 ILE 7 4.746 4.769 -2.262 75 H SER 8 H SER 8 7.909 4.325 -3.798 76 HA SER 8 HA SER 8 10.162 5.082 -5.463 77 1HB SER 8 1HB SER 8 10.356 2.847 -3.381 78 2HB SER 8 2HB SER 8 11.577 3.253 -4.607 79 HG SER 8 HG SER 8 10.991 5.500 -3.326 80 H ASP 9 H ASP 9 10.391 3.403 -7.152 81 HA ASP 9 HA ASP 9 8.069 2.838 -8.394 82 1HB ASP 9 1HB ASP 9 10.190 2.773 -9.511 83 2HB ASP 9 2HB ASP 9 10.669 1.295 -8.657 84 H ALA 10 H ALA 10 9.865 0.105 -6.851 85 HA ALA 10 HA ALA 10 7.923 -1.849 -7.285 86 1HB ALA 10 1HB ALA 10 9.017 -3.117 -5.531 87 2HB ALA 10 2HB ALA 10 9.770 -1.646 -4.870 88 3HB ALA 10 3HB ALA 10 10.237 -2.252 -6.476 89 H GLU 11 H GLU 11 8.094 0.502 -4.609 90 HA GLU 11 HA GLU 11 5.879 -0.633 -3.127 91 1HB GLU 11 1HB GLU 11 7.157 2.137 -3.072 92 2HB GLU 11 2HB GLU 11 5.916 1.560 -1.964 93 1HG GLU 11 1HG GLU 11 7.375 -0.289 -1.221 94 2HG GLU 11 2HG GLU 11 8.647 0.249 -2.329 95 H LEU 12 H LEU 12 6.222 2.009 -5.552 96 HA LEU 12 HA LEU 12 3.539 2.839 -5.503 97 1HB LEU 12 1HB LEU 12 5.378 4.043 -6.557 98 2HB LEU 12 2HB LEU 12 5.511 2.886 -7.831 99 HG LEU 12 HG LEU 12 4.358 5.077 -8.292 100 1HD1 LEU 12 1HD1 LEU 12 2.757 4.248 -9.844 101 2HD1 LEU 12 2HD1 LEU 12 2.646 2.686 -9.026 102 3HD1 LEU 12 3HD1 LEU 12 4.158 3.163 -9.836 103 1HD2 LEU 12 1HD2 LEU 12 1.969 3.823 -6.888 104 2HD2 LEU 12 2HD2 LEU 12 2.925 5.177 -6.250 105 3HD2 LEU 12 3HD2 LEU 12 2.003 5.344 -7.764 106 H GLU 13 H GLU 13 5.067 0.149 -7.382 107 HA GLU 13 HA GLU 13 2.806 -0.625 -8.895 108 1HB GLU 13 1HB GLU 13 4.817 -2.420 -7.462 109 2HB GLU 13 2HB GLU 13 3.736 -2.938 -8.751 110 1HG GLU 13 1HG GLU 13 6.026 -0.938 -9.020 111 2HG GLU 13 2HG GLU 13 5.957 -2.574 -9.665 112 H VAL 14 H VAL 14 3.721 -1.578 -5.569 113 HA VAL 14 HA VAL 14 1.418 -3.200 -5.053 114 HB VAL 14 HB VAL 14 3.340 -1.691 -3.221 115 1HG1 VAL 14 1HG1 VAL 14 1.020 -3.477 -2.509 116 2HG1 VAL 14 2HG1 VAL 14 1.347 -1.827 -1.951 117 3HG1 VAL 14 3HG1 VAL 14 2.390 -3.147 -1.412 118 1HG2 VAL 14 1HG2 VAL 14 4.226 -3.933 -2.815 119 2HG2 VAL 14 2HG2 VAL 14 4.313 -3.507 -4.541 120 3HG2 VAL 14 3HG2 VAL 14 3.052 -4.609 -3.956 121 H MET 15 H MET 15 2.017 0.332 -4.518 122 HA MET 15 HA MET 15 -0.489 0.839 -3.304 123 1HB MET 15 1HB MET 15 0.901 2.744 -5.218 124 2HB MET 15 2HB MET 15 -0.329 3.081 -3.990 125 1HG MET 15 1HG MET 15 1.278 2.160 -2.286 126 2HG MET 15 2HG MET 15 2.519 2.243 -3.523 127 1HE MET 15 1HE MET 15 0.519 5.679 -1.323 128 2HE MET 15 2HE MET 15 0.756 4.005 -0.754 129 3HE MET 15 3HE MET 15 -0.404 4.329 -2.039 130 H LYS 16 H LYS 16 0.389 0.889 -6.778 131 HA LYS 16 HA LYS 16 -2.108 1.625 -7.836 132 1HB LYS 16 1HB LYS 16 0.035 1.543 -9.055 133 2HB LYS 16 2HB LYS 16 -0.018 -0.230 -9.047 134 1HG LYS 16 1HG LYS 16 -2.091 -0.192 -10.377 135 2HG LYS 16 2HG LYS 16 -2.097 1.587 -10.328 136 1HD LYS 16 1HD LYS 16 0.080 1.622 -11.538 137 2HD LYS 16 2HD LYS 16 0.132 -0.145 -11.510 138 1HE LYS 16 1HE LYS 16 -0.605 0.622 -13.703 139 2HE LYS 16 2HE LYS 16 -1.921 -0.250 -12.902 140 1HZ LYS 16 1HZ LYS 16 -2.874 1.866 -12.317 141 2HZ LYS 16 2HZ LYS 16 -2.657 1.770 -13.947 142 3HZ LYS 16 3HZ LYS 16 -1.628 2.674 -13.032 143 H VAL 17 H VAL 17 -0.902 -1.600 -6.911 144 HA VAL 17 HA VAL 17 -3.278 -3.019 -7.724 145 HB VAL 17 HB VAL 17 -1.004 -3.651 -5.799 146 1HG1 VAL 17 1HG1 VAL 17 -1.853 -6.000 -5.948 147 2HG1 VAL 17 2HG1 VAL 17 -2.841 -4.925 -4.941 148 3HG1 VAL 17 3HG1 VAL 17 -3.378 -5.354 -6.591 149 1HG2 VAL 17 1HG2 VAL 17 -0.473 -3.606 -8.249 150 2HG2 VAL 17 2HG2 VAL 17 -0.328 -5.220 -7.534 151 3HG2 VAL 17 3HG2 VAL 17 -1.752 -4.814 -8.511 152 H ILE 18 H ILE 18 -2.200 -1.733 -4.534 153 HA ILE 18 HA ILE 18 -4.446 -2.666 -3.073 154 HB ILE 18 HB ILE 18 -2.470 -0.424 -2.554 155 1HG1 ILE 18 1HG1 ILE 18 -2.833 -3.269 -1.486 156 2HG1 ILE 18 2HG1 ILE 18 -1.590 -2.740 -2.592 157 1HG2 ILE 18 1HG2 ILE 18 -4.654 -1.477 -0.708 158 2HG2 ILE 18 2HG2 ILE 18 -4.516 0.172 -1.344 159 3HG2 ILE 18 3HG2 ILE 18 -3.322 -0.412 -0.206 160 1HD1 ILE 18 1HD1 ILE 18 -0.739 -1.169 -0.799 161 2HD1 ILE 18 2HD1 ILE 18 -1.854 -1.984 0.332 162 3HD1 ILE 18 3HD1 ILE 18 -0.574 -2.905 -0.458 163 H TRP 19 H TRP 19 -3.932 0.566 -4.571 164 HA TRP 19 HA TRP 19 -6.314 1.737 -3.675 165 1HB TRP 19 1HB TRP 19 -4.587 2.224 -6.121 166 2HB TRP 19 2HB TRP 19 -6.018 3.188 -5.790 167 HD1 TRP 19 HD1 TRP 19 -5.811 3.829 -2.793 168 HE1 TRP 19 HE1 TRP 19 -4.064 5.524 -1.957 169 HE3 TRP 19 HE3 TRP 19 -2.386 3.481 -6.604 170 HZ2 TRP 19 HZ2 TRP 19 -1.547 6.542 -2.780 171 HZ3 TRP 19 HZ3 TRP 19 -0.243 4.709 -6.423 172 HH2 TRP 19 HH2 TRP 19 0.105 6.381 -4.636 173 H LYS 20 H LYS 20 -6.156 -0.869 -5.968 174 HA LYS 20 HA LYS 20 -8.530 -0.158 -7.462 175 1HB LYS 20 1HB LYS 20 -7.411 -2.910 -6.915 176 2HB LYS 20 2HB LYS 20 -8.576 -2.414 -8.156 177 1HG LYS 20 1HG LYS 20 -6.482 -0.595 -8.535 178 2HG LYS 20 2HG LYS 20 -5.641 -2.063 -8.040 179 1HD LYS 20 1HD LYS 20 -7.026 -3.276 -9.856 180 2HD LYS 20 2HD LYS 20 -7.592 -1.656 -10.326 181 1HE LYS 20 1HE LYS 20 -4.725 -2.745 -10.370 182 2HE LYS 20 2HE LYS 20 -5.715 -2.304 -11.772 183 1HZ LYS 20 1HZ LYS 20 -4.159 -0.604 -11.298 184 2HZ LYS 20 2HZ LYS 20 -4.638 -0.489 -9.725 185 3HZ LYS 20 3HZ LYS 20 -5.659 -0.022 -10.938 186 H HIS 21 H HIS 21 -7.854 -1.489 -4.281 187 HA HIS 21 HA HIS 21 -10.660 -2.330 -3.785 188 1HB HIS 21 1HB HIS 21 -8.115 -2.739 -2.153 189 2HB HIS 21 2HB HIS 21 -9.712 -3.447 -1.858 190 HD2 HIS 21 HD2 HIS 21 -6.781 -3.801 -4.478 191 HE1 HIS 21 HE1 HIS 21 -9.177 -7.288 -4.531 192 HE2 HIS 21 HE2 HIS 21 -7.056 -6.246 -5.451 193 H SER 22 H SER 22 -11.570 -1.592 -1.571 194 HA SER 22 HA SER 22 -11.404 1.280 -1.330 195 1HB SER 22 1HB SER 22 -12.802 0.673 0.774 196 2HB SER 22 2HB SER 22 -13.466 0.217 -0.809 197 HG SER 22 HG SER 22 -13.540 -1.555 0.647 198 H SER 23 H SER 23 -10.528 -1.425 0.772 199 HA SER 23 HA SER 23 -7.949 -0.135 1.405 200 1HB SER 23 1HB SER 23 -8.123 -0.949 3.810 201 2HB SER 23 2HB SER 23 -9.207 0.393 3.432 202 HG SER 23 HG SER 23 -10.869 -1.178 3.112 203 H ILE 24 H ILE 24 -7.096 -2.592 2.903 204 HA ILE 24 HA ILE 24 -8.188 -4.815 1.404 205 HB ILE 24 HB ILE 24 -6.665 -3.888 -0.256 206 1HG1 ILE 24 1HG1 ILE 24 -5.442 -6.459 0.749 207 2HG1 ILE 24 2HG1 ILE 24 -7.092 -6.375 0.104 208 1HG2 ILE 24 1HG2 ILE 24 -4.389 -4.452 1.675 209 2HG2 ILE 24 2HG2 ILE 24 -4.301 -3.757 0.044 210 3HG2 ILE 24 3HG2 ILE 24 -5.041 -2.832 1.344 211 1HD1 ILE 24 1HD1 ILE 24 -5.500 -7.034 -1.651 212 2HD1 ILE 24 2HD1 ILE 24 -6.327 -5.513 -2.019 213 3HD1 ILE 24 3HD1 ILE 24 -4.644 -5.492 -1.472 214 H ASN 25 H ASN 25 -7.916 -6.811 2.539 215 HA ASN 25 HA ASN 25 -6.717 -6.400 5.228 216 1HB ASN 25 1HB ASN 25 -7.643 -8.344 6.003 217 2HB ASN 25 2HB ASN 25 -8.903 -7.472 5.183 218 1HD2 ASN 25 1HD2 ASN 25 -10.237 -8.917 4.082 219 2HD2 ASN 25 2HD2 ASN 25 -9.712 -10.463 3.456 220 H THR 26 H THR 26 -5.192 -7.941 6.106 221 HA THR 26 HA THR 26 -2.977 -8.113 4.399 222 HB THR 26 HB THR 26 -3.327 -9.806 6.897 223 HG1 THR 26 HG1 THR 26 -3.644 -7.524 7.267 224 1HG2 THR 26 1HG2 THR 26 -0.838 -9.515 7.001 225 2HG2 THR 26 2HG2 THR 26 -1.322 -10.422 5.558 226 3HG2 THR 26 3HG2 THR 26 -0.873 -8.709 5.424 227 H ASN 27 H ASN 27 -5.373 -10.773 4.853 228 HA ASN 27 HA ASN 27 -3.695 -12.681 3.445 229 1HB ASN 27 1HB ASN 27 -5.526 -13.551 4.723 230 2HB ASN 27 2HB ASN 27 -6.707 -12.560 3.855 231 1HD2 ASN 27 1HD2 ASN 27 -7.551 -13.307 1.885 232 2HD2 ASN 27 2HD2 ASN 27 -7.028 -14.809 1.148 233 H GLU 28 H GLU 28 -6.193 -10.330 2.458 234 HA GLU 28 HA GLU 28 -6.324 -11.049 -0.318 235 1HB GLU 28 1HB GLU 28 -6.876 -8.506 1.238 236 2HB GLU 28 2HB GLU 28 -7.177 -8.624 -0.498 237 1HG GLU 28 1HG GLU 28 -8.790 -10.421 -0.123 238 2HG GLU 28 2HG GLU 28 -8.407 -10.420 1.603 239 H VAL 29 H VAL 29 -4.385 -8.666 1.537 240 HA VAL 29 HA VAL 29 -3.111 -7.602 -0.739 241 HB VAL 29 HB VAL 29 -3.259 -6.844 1.855 242 1HG1 VAL 29 1HG1 VAL 29 -0.308 -7.535 1.532 243 2HG1 VAL 29 2HG1 VAL 29 -1.097 -6.646 2.852 244 3HG1 VAL 29 3HG1 VAL 29 -1.395 -8.362 2.659 245 1HG2 VAL 29 1HG2 VAL 29 -1.128 -5.934 -0.088 246 2HG2 VAL 29 2HG2 VAL 29 -1.856 -4.999 1.244 247 3HG2 VAL 29 3HG2 VAL 29 -2.837 -5.472 -0.149 248 H ILE 30 H ILE 30 -1.840 -10.133 1.568 249 HA ILE 30 HA ILE 30 0.512 -10.566 0.083 250 HB ILE 30 HB ILE 30 -1.038 -12.551 1.795 251 1HG1 ILE 30 1HG1 ILE 30 1.085 -10.441 2.308 252 2HG1 ILE 30 2HG1 ILE 30 -0.432 -10.669 3.139 253 1HG2 ILE 30 1HG2 ILE 30 1.857 -12.611 0.817 254 2HG2 ILE 30 2HG2 ILE 30 0.567 -13.686 0.243 255 3HG2 ILE 30 3HG2 ILE 30 1.100 -13.792 1.909 256 1HD1 ILE 30 1HD1 ILE 30 2.058 -12.363 3.432 257 2HD1 ILE 30 2HD1 ILE 30 1.293 -11.313 4.628 258 3HD1 ILE 30 3HD1 ILE 30 0.469 -12.803 4.121 259 H LYS 31 H LYS 31 -2.668 -12.253 -0.285 260 HA LYS 31 HA LYS 31 -1.799 -13.930 -2.402 261 1HB LYS 31 1HB LYS 31 -4.537 -12.740 -1.812 262 2HB LYS 31 2HB LYS 31 -4.242 -13.998 -3.016 263 1HG LYS 31 1HG LYS 31 -3.647 -14.283 -0.034 264 2HG LYS 31 2HG LYS 31 -5.094 -14.870 -0.858 265 1HD LYS 31 1HD LYS 31 -3.576 -16.264 -2.349 266 2HD LYS 31 2HD LYS 31 -2.221 -15.798 -1.306 267 1HE LYS 31 1HE LYS 31 -4.733 -17.306 -0.437 268 2HE LYS 31 2HE LYS 31 -3.115 -17.989 -0.657 269 1HZ LYS 31 1HZ LYS 31 -2.356 -16.510 1.098 270 2HZ LYS 31 2HZ LYS 31 -3.511 -17.564 1.615 271 3HZ LYS 31 3HZ LYS 31 -3.903 -15.992 1.353 272 H GLU 32 H GLU 32 -3.467 -10.742 -2.651 273 HA GLU 32 HA GLU 32 -3.507 -10.596 -5.441 274 1HB GLU 32 1HB GLU 32 -4.780 -9.171 -3.816 275 2HB GLU 32 2HB GLU 32 -3.279 -8.304 -3.475 276 1HG GLU 32 1HG GLU 32 -4.380 -6.973 -5.033 277 2HG GLU 32 2HG GLU 32 -3.227 -7.828 -6.065 278 H LEU 33 H LEU 33 -0.942 -9.149 -3.190 279 HA LEU 33 HA LEU 33 0.619 -8.082 -5.248 280 1HB LEU 33 1HB LEU 33 0.922 -8.880 -2.343 281 2HB LEU 33 2HB LEU 33 2.264 -8.440 -3.324 282 HG LEU 33 HG LEU 33 1.561 -6.234 -3.743 283 1HD1 LEU 33 1HD1 LEU 33 -0.554 -5.292 -2.987 284 2HD1 LEU 33 2HD1 LEU 33 -1.073 -6.862 -2.353 285 3HD1 LEU 33 3HD1 LEU 33 -0.850 -6.633 -4.096 286 1HD2 LEU 33 1HD2 LEU 33 2.581 -6.494 -1.560 287 2HD2 LEU 33 2HD2 LEU 33 1.044 -7.054 -0.852 288 3HD2 LEU 33 3HD2 LEU 33 1.230 -5.377 -1.362 289 H SER 34 H SER 34 0.734 -11.306 -3.550 290 HA SER 34 HA SER 34 3.042 -12.234 -4.908 291 1HB SER 34 1HB SER 34 0.687 -13.877 -3.896 292 2HB SER 34 2HB SER 34 2.311 -14.473 -4.290 293 HG SER 34 HG SER 34 1.608 -12.631 -2.250 294 H LYS 35 H LYS 35 -0.430 -12.408 -5.842 295 HA LYS 35 HA LYS 35 -0.034 -14.010 -8.190 296 1HB LYS 35 1HB LYS 35 -2.167 -11.999 -7.378 297 2HB LYS 35 2HB LYS 35 -2.233 -12.943 -8.878 298 1HG LYS 35 1HG LYS 35 -2.470 -14.997 -7.753 299 2HG LYS 35 2HG LYS 35 -1.902 -14.341 -6.219 300 1HD LYS 35 1HD LYS 35 -4.289 -14.736 -6.137 301 2HD LYS 35 2HD LYS 35 -3.947 -13.020 -5.934 302 1HE LYS 35 1HE LYS 35 -4.742 -14.216 -8.630 303 2HE LYS 35 2HE LYS 35 -5.935 -13.702 -7.429 304 1HZ LYS 35 1HZ LYS 35 -3.931 -11.950 -8.647 305 2HZ LYS 35 2HZ LYS 35 -5.540 -11.986 -8.976 306 3HZ LYS 35 3HZ LYS 35 -5.014 -11.500 -7.495 307 H THR 36 H THR 36 -0.242 -10.456 -7.705 308 HA THR 36 HA THR 36 0.092 -9.909 -10.523 309 HB THR 36 HB THR 36 0.312 -7.532 -9.749 310 HG1 THR 36 HG1 THR 36 -0.317 -8.642 -7.213 311 1HG2 THR 36 1HG2 THR 36 -2.082 -9.130 -8.709 312 2HG2 THR 36 2HG2 THR 36 -1.871 -8.504 -10.356 313 3HG2 THR 36 3HG2 THR 36 -2.041 -7.380 -8.995 314 H SER 37 H SER 37 2.458 -10.199 -7.851 315 HA SER 37 HA SER 37 4.581 -10.088 -9.897 316 1HB SER 37 1HB SER 37 4.366 -8.225 -7.522 317 2HB SER 37 2HB SER 37 5.894 -8.514 -8.389 318 HG SER 37 HG SER 37 3.745 -7.957 -10.030 319 H THR 38 H THR 38 6.306 -11.413 -9.446 320 HA THR 38 HA THR 38 5.886 -13.499 -7.536 321 HB THR 38 HB THR 38 8.151 -14.198 -8.446 322 HG1 THR 38 HG1 THR 38 8.869 -12.083 -8.844 323 1HG2 THR 38 1HG2 THR 38 6.066 -13.429 -10.550 324 2HG2 THR 38 2HG2 THR 38 6.043 -14.906 -9.562 325 3HG2 THR 38 3HG2 THR 38 7.354 -14.633 -10.727 326 H TRP 39 H TRP 39 5.734 -12.055 -5.641 327 HA TRP 39 HA TRP 39 8.390 -11.623 -4.322 328 1HB TRP 39 1HB TRP 39 5.763 -10.100 -4.093 329 2HB TRP 39 2HB TRP 39 7.153 -9.825 -3.061 330 HD1 TRP 39 HD1 TRP 39 9.348 -9.838 -5.454 331 HE1 TRP 39 HE1 TRP 39 9.555 -7.729 -6.920 332 HE3 TRP 39 HE3 TRP 39 4.722 -7.769 -4.624 333 HZ2 TRP 39 HZ2 TRP 39 7.973 -5.459 -7.608 334 HZ3 TRP 39 HZ3 TRP 39 4.093 -5.661 -5.769 335 HH2 TRP 39 HH2 TRP 39 5.746 -4.467 -7.199 336 H SER 40 H SER 40 8.557 -12.502 -2.214 337 HA SER 40 HA SER 40 6.691 -14.710 -1.738 338 1HB SER 40 1HB SER 40 8.273 -15.414 -0.068 339 2HB SER 40 2HB SER 40 9.217 -14.851 -1.447 340 HG SER 40 HG SER 40 9.549 -12.893 -0.337 341 HA PRO 41 HA PRO 41 4.196 -12.816 1.460 342 1HB PRO 41 1HB PRO 41 5.290 -14.921 3.353 343 2HB PRO 41 2HB PRO 41 3.611 -14.328 3.203 344 1HG PRO 41 1HG PRO 41 4.271 -16.643 1.992 345 2HG PRO 41 2HG PRO 41 3.364 -15.419 1.057 346 1HD PRO 41 1HD PRO 41 6.338 -15.965 1.004 347 2HD PRO 41 2HD PRO 41 5.210 -15.733 -0.368 348 H LYS 42 H LYS 42 7.477 -13.831 2.610 349 HA LYS 42 HA LYS 42 7.727 -11.806 4.586 350 1HB LYS 42 1HB LYS 42 9.711 -13.432 2.970 351 2HB LYS 42 2HB LYS 42 10.287 -12.212 4.101 352 1HG LYS 42 1HG LYS 42 8.253 -14.188 5.135 353 2HG LYS 42 2HG LYS 42 9.880 -14.773 4.790 354 1HD LYS 42 1HD LYS 42 9.726 -14.190 7.101 355 2HD LYS 42 2HD LYS 42 10.885 -13.128 6.310 356 1HE LYS 42 1HE LYS 42 7.988 -12.301 6.850 357 2HE LYS 42 2HE LYS 42 9.268 -12.127 8.051 358 1HZ LYS 42 1HZ LYS 42 9.309 -10.845 5.417 359 2HZ LYS 42 2HZ LYS 42 8.993 -10.125 6.859 360 3HZ LYS 42 3HZ LYS 42 10.485 -10.751 6.564 361 H THR 43 H THR 43 8.557 -11.842 1.086 362 HA THR 43 HA THR 43 9.703 -9.247 0.986 363 HB THR 43 HB THR 43 7.960 -10.486 -1.163 364 HG1 THR 43 HG1 THR 43 10.707 -10.942 -0.673 365 1HG2 THR 43 1HG2 THR 43 10.349 -8.605 -1.300 366 2HG2 THR 43 2HG2 THR 43 8.657 -8.201 -1.662 367 3HG2 THR 43 3HG2 THR 43 9.536 -9.337 -2.696 368 H ILE 44 H ILE 44 6.266 -10.349 0.637 369 HA ILE 44 HA ILE 44 5.159 -7.781 0.227 370 HB ILE 44 HB ILE 44 3.841 -10.145 1.638 371 1HG1 ILE 44 1HG1 ILE 44 4.250 -11.057 -0.438 372 2HG1 ILE 44 2HG1 ILE 44 2.678 -10.332 -0.670 373 1HG2 ILE 44 1HG2 ILE 44 1.753 -8.876 0.795 374 2HG2 ILE 44 2HG2 ILE 44 2.602 -8.270 2.211 375 3HG2 ILE 44 3HG2 ILE 44 2.837 -7.486 0.641 376 1HD1 ILE 44 1HD1 ILE 44 3.987 -9.864 -2.599 377 2HD1 ILE 44 2HD1 ILE 44 5.357 -9.278 -1.646 378 3HD1 ILE 44 3HD1 ILE 44 3.863 -8.329 -1.710 379 H GLN 45 H GLN 45 5.630 -9.544 3.329 380 HA GLN 45 HA GLN 45 4.599 -7.515 5.008 381 1HB GLN 45 1HB GLN 45 6.787 -9.561 5.502 382 2HB GLN 45 2HB GLN 45 6.032 -8.554 6.750 383 1HG GLN 45 1HG GLN 45 3.792 -9.480 6.156 384 2HG GLN 45 2HG GLN 45 4.514 -10.488 4.926 385 1HE2 GLN 45 1HE2 GLN 45 4.699 -9.867 8.469 386 2HE2 GLN 45 2HE2 GLN 45 5.131 -11.522 8.862 387 H THR 46 H THR 46 7.892 -7.922 3.680 388 HA THR 46 HA THR 46 9.013 -5.648 4.971 389 HB THR 46 HB THR 46 9.813 -6.746 2.243 390 HG1 THR 46 HG1 THR 46 9.732 -8.428 3.769 391 1HG2 THR 46 1HG2 THR 46 10.926 -4.628 2.878 392 2HG2 THR 46 2HG2 THR 46 12.054 -5.996 2.937 393 3HG2 THR 46 3HG2 THR 46 11.383 -5.338 4.443 394 H MET 47 H MET 47 7.389 -5.956 1.744 395 HA MET 47 HA MET 47 7.701 -3.221 1.023 396 1HB MET 47 1HB MET 47 5.639 -5.267 0.126 397 2HB MET 47 2HB MET 47 5.870 -3.664 -0.589 398 1HG MET 47 1HG MET 47 8.274 -4.246 -1.031 399 2HG MET 47 2HG MET 47 7.959 -5.874 -0.469 400 1HE MET 47 1HE MET 47 8.185 -3.579 -3.365 401 2HE MET 47 2HE MET 47 6.497 -3.199 -2.959 402 3HE MET 47 3HE MET 47 6.877 -4.047 -4.475 403 H LEU 48 H LEU 48 5.078 -4.869 2.823 404 HA LEU 48 HA LEU 48 3.333 -2.613 3.029 405 1HB LEU 48 1HB LEU 48 3.820 -4.993 4.869 406 2HB LEU 48 2HB LEU 48 2.541 -3.818 5.142 407 HG LEU 48 HG LEU 48 2.767 -5.430 2.559 408 1HD1 LEU 48 1HD1 LEU 48 2.556 -6.981 4.470 409 2HD1 LEU 48 2HD1 LEU 48 1.188 -6.050 5.094 410 3HD1 LEU 48 3HD1 LEU 48 1.055 -6.925 3.555 411 1HD2 LEU 48 1HD2 LEU 48 0.378 -4.893 2.355 412 2HD2 LEU 48 2HD2 LEU 48 1.327 -3.406 2.436 413 3HD2 LEU 48 3HD2 LEU 48 0.437 -3.968 3.868 414 H LEU 49 H LEU 49 5.800 -3.878 5.316 415 HA LEU 49 HA LEU 49 5.704 -1.820 7.202 416 1HB LEU 49 1HB LEU 49 6.911 -3.930 7.454 417 2HB LEU 49 2HB LEU 49 8.094 -3.462 6.241 418 HG LEU 49 HG LEU 49 8.805 -3.356 8.630 419 1HD1 LEU 49 1HD1 LEU 49 9.979 -2.094 6.811 420 2HD1 LEU 49 2HD1 LEU 49 9.095 -0.635 7.315 421 3HD1 LEU 49 3HD1 LEU 49 10.179 -1.444 8.447 422 1HD2 LEU 49 1HD2 LEU 49 7.090 -0.848 8.833 423 2HD2 LEU 49 2HD2 LEU 49 8.161 -1.527 10.069 424 3HD2 LEU 49 3HD2 LEU 49 6.707 -2.417 9.580 425 H ARG 50 H ARG 50 7.657 -2.021 4.181 426 HA ARG 50 HA ARG 50 8.992 0.435 4.411 427 1HB ARG 50 1HB ARG 50 8.127 -1.191 2.026 428 2HB ARG 50 2HB ARG 50 8.990 0.330 1.857 429 1HG ARG 50 1HG ARG 50 10.080 -1.844 3.673 430 2HG ARG 50 2HG ARG 50 10.308 -1.870 1.920 431 1HD ARG 50 1HD ARG 50 11.375 0.353 1.990 432 2HD ARG 50 2HD ARG 50 11.152 0.413 3.756 433 HE ARG 50 HE ARG 50 12.529 -1.973 3.103 434 1HH1 ARG 50 1HH1 ARG 50 13.043 1.517 3.117 435 2HH1 ARG 50 2HH1 ARG 50 14.768 1.414 3.342 436 1HH2 ARG 50 1HH2 ARG 50 14.784 -2.135 3.402 437 2HH2 ARG 50 2HH2 ARG 50 15.775 -0.707 3.511 438 H LEU 51 H LEU 51 5.965 -0.204 2.495 439 HA LEU 51 HA LEU 51 5.423 2.482 1.921 440 1HB LEU 51 1HB LEU 51 3.697 0.037 2.191 441 2HB LEU 51 2HB LEU 51 2.912 1.604 1.994 442 HG LEU 51 HG LEU 51 5.089 0.687 0.096 443 1HD1 LEU 51 1HD1 LEU 51 3.266 -0.959 0.056 444 2HD1 LEU 51 2HD1 LEU 51 2.079 0.347 -0.187 445 3HD1 LEU 51 3HD1 LEU 51 3.297 0.004 -1.434 446 1HD2 LEU 51 1HD2 LEU 51 2.855 2.784 -0.073 447 2HD2 LEU 51 2HD2 LEU 51 3.909 2.357 -1.415 448 3HD2 LEU 51 3HD2 LEU 51 4.590 3.134 0.014 449 H ILE 52 H ILE 52 4.632 0.768 4.954 450 HA ILE 52 HA ILE 52 3.065 2.943 5.990 451 HB ILE 52 HB ILE 52 4.541 0.665 7.340 452 1HG1 ILE 52 1HG1 ILE 52 1.568 1.191 7.000 453 2HG1 ILE 52 2HG1 ILE 52 2.494 0.270 5.821 454 1HG2 ILE 52 1HG2 ILE 52 3.253 1.263 9.396 455 2HG2 ILE 52 2HG2 ILE 52 2.677 2.734 8.590 456 3HG2 ILE 52 3HG2 ILE 52 4.400 2.521 8.962 457 1HD1 ILE 52 1HD1 ILE 52 2.100 -0.516 8.732 458 2HD1 ILE 52 2HD1 ILE 52 1.399 -1.276 7.296 459 3HD1 ILE 52 3HD1 ILE 52 3.148 -1.363 7.571 460 H LYS 53 H LYS 53 6.526 2.071 6.494 461 HA LYS 53 HA LYS 53 7.134 4.374 8.066 462 1HB LYS 53 1HB LYS 53 8.457 2.282 7.933 463 2HB LYS 53 2HB LYS 53 8.964 2.705 6.289 464 1HG LYS 53 1HG LYS 53 10.087 4.741 7.157 465 2HG LYS 53 2HG LYS 53 9.498 4.368 8.790 466 1HD LYS 53 1HD LYS 53 10.801 2.257 8.793 467 2HD LYS 53 2HD LYS 53 11.308 2.551 7.123 468 1HE LYS 53 1HE LYS 53 13.110 3.156 8.657 469 2HE LYS 53 2HE LYS 53 12.515 4.601 7.825 470 1HZ LYS 53 1HZ LYS 53 12.845 4.957 10.163 471 2HZ LYS 53 2HZ LYS 53 11.771 3.768 10.545 472 3HZ LYS 53 3HZ LYS 53 11.254 5.134 9.780 473 H LYS 54 H LYS 54 7.250 3.805 4.580 474 HA LYS 54 HA LYS 54 8.584 6.160 3.795 475 1HB LYS 54 1HB LYS 54 7.094 3.940 2.370 476 2HB LYS 54 2HB LYS 54 7.853 5.237 1.511 477 1HG LYS 54 1HG LYS 54 9.406 3.476 3.440 478 2HG LYS 54 2HG LYS 54 9.241 3.148 1.721 479 1HD LYS 54 1HD LYS 54 10.058 5.894 1.937 480 2HD LYS 54 2HD LYS 54 11.052 4.980 3.072 481 1HE LYS 54 1HE LYS 54 12.141 5.138 0.899 482 2HE LYS 54 2HE LYS 54 11.713 3.443 1.194 483 1HZ LYS 54 1HZ LYS 54 11.192 4.311 -1.054 484 2HZ LYS 54 2HZ LYS 54 9.900 3.665 -0.266 485 3HZ LYS 54 3HZ LYS 54 10.065 5.302 -0.375 486 H GLY 55 H GLY 55 6.127 6.750 5.383 487 1HA GLY 55 1HA GLY 55 4.762 8.623 5.256 488 2HA GLY 55 2HA GLY 55 5.441 8.884 3.625 489 H ALA 56 H ALA 56 3.833 5.765 3.788 490 HA ALA 56 HA ALA 56 1.641 7.073 2.218 491 1HB ALA 56 1HB ALA 56 1.742 5.325 0.713 492 2HB ALA 56 2HB ALA 56 3.422 5.802 0.999 493 3HB ALA 56 3HB ALA 56 2.782 4.329 1.744 494 H LEU 57 H LEU 57 2.127 3.995 4.039 495 HA LEU 57 HA LEU 57 -0.883 3.831 4.117 496 1HB LEU 57 1HB LEU 57 1.304 1.832 3.765 497 2HB LEU 57 2HB LEU 57 -0.113 1.336 4.681 498 HG LEU 57 HG LEU 57 -1.625 1.851 2.889 499 1HD1 LEU 57 1HD1 LEU 57 -0.598 3.774 1.752 500 2HD1 LEU 57 2HD1 LEU 57 0.800 2.784 1.289 501 3HD1 LEU 57 3HD1 LEU 57 -0.803 2.461 0.603 502 1HD2 LEU 57 1HD2 LEU 57 -0.913 0.129 1.312 503 2HD2 LEU 57 2HD2 LEU 57 0.768 0.264 1.870 504 3HD2 LEU 57 3HD2 LEU 57 -0.481 -0.357 2.960 505 H ASN 58 H ASN 58 -1.963 2.938 5.820 506 HA ASN 58 HA ASN 58 -0.759 2.887 8.495 507 1HB ASN 58 1HB ASN 58 -1.631 5.171 7.969 508 2HB ASN 58 2HB ASN 58 -3.242 4.488 7.682 509 1HD2 ASN 58 1HD2 ASN 58 -3.045 6.452 9.480 510 2HD2 ASN 58 2HD2 ASN 58 -3.198 5.831 11.130 511 H HIS 59 H HIS 59 -2.464 1.626 9.925 512 HA HIS 59 HA HIS 59 -4.269 0.025 8.248 513 1HB HIS 59 1HB HIS 59 -3.416 -2.106 8.786 514 2HB HIS 59 2HB HIS 59 -2.027 -1.166 8.254 515 HD2 HIS 59 HD2 HIS 59 0.033 -1.127 10.051 516 HE1 HIS 59 HE1 HIS 59 -2.040 -3.006 13.230 517 HE2 HIS 59 HE2 HIS 59 0.246 -2.188 12.445 518 H HIS 60 H HIS 60 -5.738 -1.301 9.371 519 HA HIS 60 HA HIS 60 -6.303 -0.488 12.193 520 1HB HIS 60 1HB HIS 60 -7.849 0.832 10.912 521 2HB HIS 60 2HB HIS 60 -8.193 -0.514 9.813 522 HD2 HIS 60 HD2 HIS 60 -10.605 -1.549 10.364 523 HE1 HIS 60 HE1 HIS 60 -10.372 -1.381 14.587 524 HE2 HIS 60 HE2 HIS 60 -11.803 -2.147 12.623 525 H LYS 61 H LYS 61 -7.301 -2.139 13.408 526 HA LYS 61 HA LYS 61 -6.711 -4.895 12.462 527 1HB LYS 61 1HB LYS 61 -7.540 -3.770 15.150 528 2HB LYS 61 2HB LYS 61 -7.229 -5.480 14.794 529 1HG LYS 61 1HG LYS 61 -4.894 -5.008 14.251 530 2HG LYS 61 2HG LYS 61 -5.168 -3.265 14.373 531 1HD LYS 61 1HD LYS 61 -4.048 -4.047 16.366 532 2HD LYS 61 2HD LYS 61 -5.672 -3.476 16.779 533 1HE LYS 61 1HE LYS 61 -6.489 -5.803 16.917 534 2HE LYS 61 2HE LYS 61 -4.916 -6.412 16.363 535 1HZ LYS 61 1HZ LYS 61 -5.161 -6.551 18.721 536 2HZ LYS 61 2HZ LYS 61 -5.414 -4.929 18.847 537 3HZ LYS 61 3HZ LYS 61 -3.950 -5.499 18.347 538 H GLU 62 H GLU 62 -8.398 -5.243 10.906 539 HA GLU 62 HA GLU 62 -11.202 -4.852 11.833 540 1HB GLU 62 1HB GLU 62 -10.437 -4.365 9.478 541 2HB GLU 62 2HB GLU 62 -10.213 -6.122 9.276 542 1HG GLU 62 1HG GLU 62 -12.670 -6.398 9.885 543 2HG GLU 62 2HG GLU 62 -12.809 -4.635 9.830 544 H GLY 63 H GLY 63 -10.689 -6.308 13.668 545 1HA GLY 63 1HA GLY 63 -10.994 -8.240 14.834 546 2HA GLY 63 2HA GLY 63 -12.141 -8.683 13.571 547 H ARG 64 H ARG 64 -11.058 -9.602 11.561 548 HA ARG 64 HA ARG 64 -9.957 -12.169 12.139 549 1HB ARG 64 1HB ARG 64 -10.026 -10.626 9.538 550 2HB ARG 64 2HB ARG 64 -9.759 -12.366 9.744 551 1HG ARG 64 1HG ARG 64 -12.046 -12.498 10.846 552 2HG ARG 64 2HG ARG 64 -12.302 -10.802 10.416 553 1HD ARG 64 1HD ARG 64 -11.778 -13.151 8.601 554 2HD ARG 64 2HD ARG 64 -13.288 -12.223 8.659 555 HE ARG 64 HE ARG 64 -10.964 -11.688 7.074 556 1HH1 ARG 64 1HH1 ARG 64 -13.461 -9.924 8.882 557 2HH1 ARG 64 2HH1 ARG 64 -13.060 -8.387 8.132 558 1HH2 ARG 64 1HH2 ARG 64 -10.502 -9.660 6.114 559 2HH2 ARG 64 2HH2 ARG 64 -11.437 -8.245 6.590 560 H VAL 65 H VAL 65 -8.515 -9.398 10.334 561 HA VAL 65 HA VAL 65 -5.889 -9.721 11.502 562 HB VAL 65 HB VAL 65 -4.777 -9.876 9.306 563 1HG1 VAL 65 1HG1 VAL 65 -4.999 -12.234 8.890 564 2HG1 VAL 65 2HG1 VAL 65 -6.591 -12.290 9.662 565 3HG1 VAL 65 3HG1 VAL 65 -5.138 -11.955 10.634 566 1HG2 VAL 65 1HG2 VAL 65 -6.533 -9.016 7.839 567 2HG2 VAL 65 2HG2 VAL 65 -5.980 -10.600 7.281 568 3HG2 VAL 65 3HG2 VAL 65 -7.530 -10.459 8.132 569 H PHE 66 H PHE 66 -4.520 -7.824 10.390 570 HA PHE 66 HA PHE 66 -6.356 -5.543 10.419 571 1HB PHE 66 1HB PHE 66 -4.325 -4.159 10.388 572 2HB PHE 66 2HB PHE 66 -4.573 -5.131 11.810 573 HD1 PHE 66 HD1 PHE 66 -2.215 -4.396 9.173 574 HD2 PHE 66 HD2 PHE 66 -3.270 -7.196 12.281 575 HE1 PHE 66 HE1 PHE 66 0.151 -5.106 9.353 576 HE2 PHE 66 HE2 PHE 66 -0.921 -7.973 12.375 577 HZ PHE 66 HZ PHE 66 0.799 -6.913 10.925 578 H VAL 67 H VAL 67 -6.501 -3.935 8.879 579 HA VAL 67 HA VAL 67 -5.910 -4.742 6.161 580 HB VAL 67 HB VAL 67 -8.006 -3.927 5.580 581 1HG1 VAL 67 1HG1 VAL 67 -8.555 -5.062 8.324 582 2HG1 VAL 67 2HG1 VAL 67 -8.149 -6.053 6.926 583 3HG1 VAL 67 3HG1 VAL 67 -9.647 -5.105 6.921 584 1HG2 VAL 67 1HG2 VAL 67 -9.568 -2.661 7.032 585 2HG2 VAL 67 2HG2 VAL 67 -8.104 -1.764 6.637 586 3HG2 VAL 67 3HG2 VAL 67 -8.275 -2.517 8.243 587 H TYR 68 H TYR 68 -5.200 -3.191 4.735 588 HA TYR 68 HA TYR 68 -3.820 -0.949 6.112 589 1HB TYR 68 1HB TYR 68 -3.435 -1.986 3.297 590 2HB TYR 68 2HB TYR 68 -2.431 -0.826 4.168 591 HD1 TYR 68 HD1 TYR 68 -3.373 -4.362 3.798 592 HD2 TYR 68 HD2 TYR 68 -0.978 -1.587 6.067 593 HE1 TYR 68 HE1 TYR 68 -2.415 -6.222 5.077 594 HE2 TYR 68 HE2 TYR 68 0.032 -3.491 7.310 595 HH TYR 68 HH TYR 68 -1.275 -6.778 7.031 596 H THR 69 H THR 69 -4.606 0.997 6.019 597 HA THR 69 HA THR 69 -6.647 1.861 4.050 598 HB THR 69 HB THR 69 -6.882 3.689 5.799 599 HG1 THR 69 HG1 THR 69 -4.720 3.024 6.681 600 1HG2 THR 69 1HG2 THR 69 -8.442 1.745 5.720 601 2HG2 THR 69 2HG2 THR 69 -8.131 2.273 7.386 602 3HG2 THR 69 3HG2 THR 69 -7.334 0.819 6.759 603 HA PRO 70 HA PRO 70 -2.934 4.004 2.370 604 1HB PRO 70 1HB PRO 70 -5.126 5.255 0.702 605 2HB PRO 70 2HB PRO 70 -3.548 4.610 0.157 606 1HG PRO 70 1HG PRO 70 -5.778 3.166 -0.264 607 2HG PRO 70 2HG PRO 70 -4.283 2.374 0.320 608 1HD PRO 70 1HD PRO 70 -6.699 3.214 1.936 609 2HD PRO 70 2HD PRO 70 -5.767 1.686 1.982 610 H ASN 71 H ASN 71 -2.138 5.821 3.544 611 HA ASN 71 HA ASN 71 -4.133 7.492 4.952 612 1HB ASN 71 1HB ASN 71 -1.952 6.295 5.860 613 2HB ASN 71 2HB ASN 71 -1.165 7.738 5.216 614 1HD2 ASN 71 1HD2 ASN 71 -2.528 9.885 5.976 615 2HD2 ASN 71 2HD2 ASN 71 -2.903 9.885 7.697 616 H ILE 72 H ILE 72 -2.858 7.626 2.018 617 HA ILE 72 HA ILE 72 -2.385 10.564 1.881 618 HB ILE 72 HB ILE 72 -1.121 10.175 -0.100 619 1HG1 ILE 72 1HG1 ILE 72 -2.192 8.365 -1.231 620 2HG1 ILE 72 2HG1 ILE 72 -0.500 7.971 -0.963 621 1HG2 ILE 72 1HG2 ILE 72 0.739 8.776 0.801 622 2HG2 ILE 72 2HG2 ILE 72 -0.261 8.362 2.181 623 3HG2 ILE 72 3HG2 ILE 72 0.180 10.055 1.881 624 1HD1 ILE 72 1HD1 ILE 72 -1.261 6.549 1.026 625 2HD1 ILE 72 2HD1 ILE 72 -2.914 6.772 0.379 626 3HD1 ILE 72 3HD1 ILE 72 -1.691 5.974 -0.585 627 H ASP 73 H ASP 73 -3.462 11.788 0.275 628 HA ASP 73 HA ASP 73 -5.302 10.506 -1.564 629 1HB ASP 73 1HB ASP 73 -6.512 10.733 0.632 630 2HB ASP 73 2HB ASP 73 -6.256 12.480 0.574 631 H GLU 74 H GLU 74 -6.239 12.152 -2.956 632 HA GLU 74 HA GLU 74 -6.002 13.715 -4.531 633 1HB GLU 74 1HB GLU 74 -5.207 15.465 -2.161 634 2HB GLU 74 2HB GLU 74 -5.655 16.049 -3.771 635 1HG GLU 74 1HG GLU 74 -7.882 14.955 -3.537 636 2HG GLU 74 2HG GLU 74 -7.439 14.407 -1.911 637 H SER 75 H SER 75 -3.217 14.829 -2.565 638 HA SER 75 HA SER 75 -1.606 14.896 -5.071 639 1HB SER 75 1HB SER 75 -0.938 16.019 -2.336 640 2HB SER 75 2HB SER 75 -0.102 16.322 -3.872 641 HG SER 75 HG SER 75 -2.540 16.898 -4.454 642 H ASP 76 H ASP 76 -2.143 12.382 -4.533 643 HA ASP 76 HA ASP 76 0.040 11.165 -2.939 644 1HB ASP 76 1HB ASP 76 -1.093 9.080 -3.384 645 2HB ASP 76 2HB ASP 76 -2.250 10.261 -2.783 646 H TYR 77 H TYR 77 0.358 8.892 -4.868 647 HA TYR 77 HA TYR 77 2.423 10.088 -6.430 648 1HB TYR 77 1HB TYR 77 2.066 7.581 -5.662 649 2HB TYR 77 2HB TYR 77 1.308 7.421 -7.249 650 HD1 TYR 77 HD1 TYR 77 4.391 8.411 -5.419 651 HD2 TYR 77 HD2 TYR 77 2.704 7.569 -9.290 652 HE1 TYR 77 HE1 TYR 77 6.671 8.317 -6.381 653 HE2 TYR 77 HE2 TYR 77 4.993 7.457 -10.250 654 HH TYR 77 HH TYR 77 7.926 7.990 -8.287 655 H ILE 78 H ILE 78 -0.971 9.285 -7.106 656 HA ILE 78 HA ILE 78 -0.769 10.385 -9.877 657 HB ILE 78 HB ILE 78 -3.169 9.468 -8.217 658 1HG1 ILE 78 1HG1 ILE 78 -1.619 8.035 -10.425 659 2HG1 ILE 78 2HG1 ILE 78 -1.669 7.582 -8.713 660 1HG2 ILE 78 1HG2 ILE 78 -2.956 10.067 -11.201 661 2HG2 ILE 78 2HG2 ILE 78 -3.639 11.186 -10.003 662 3HG2 ILE 78 3HG2 ILE 78 -4.426 9.641 -10.296 663 1HD1 ILE 78 1HD1 ILE 78 -3.158 6.128 -9.867 664 2HD1 ILE 78 2HD1 ILE 78 -3.983 7.467 -10.675 665 3HD1 ILE 78 3HD1 ILE 78 -4.152 7.250 -8.914 666 H GLU 79 H GLU 79 0.058 12.408 -9.281 667 HA GLU 79 HA GLU 79 -0.866 13.819 -6.988 668 1HB GLU 79 1HB GLU 79 1.418 13.853 -8.075 669 2HB GLU 79 2HB GLU 79 0.760 14.959 -9.282 670 1HG GLU 79 1HG GLU 79 0.089 16.505 -7.393 671 2HG GLU 79 2HG GLU 79 0.917 15.398 -6.281 672 H VAL 80 H VAL 80 -3.123 14.398 -7.045 673 HA VAL 80 HA VAL 80 -3.756 16.506 -9.054 674 HB VAL 80 HB VAL 80 -6.073 16.007 -8.624 675 1HG1 VAL 80 1HG1 VAL 80 -4.905 15.062 -10.594 676 2HG1 VAL 80 2HG1 VAL 80 -4.511 13.604 -9.659 677 3HG1 VAL 80 3HG1 VAL 80 -6.202 13.991 -10.032 678 1HG2 VAL 80 1HG2 VAL 80 -5.902 14.883 -6.432 679 2HG2 VAL 80 2HG2 VAL 80 -6.873 13.984 -7.608 680 3HG2 VAL 80 3HG2 VAL 80 -5.227 13.444 -7.254 681 H LYS 81 H LYS 81 -4.772 18.390 -8.283 682 HA LYS 81 HA LYS 81 -5.147 18.945 -5.513 683 1HB LYS 81 1HB LYS 81 -2.667 18.990 -5.539 684 2HB LYS 81 2HB LYS 81 -2.675 20.106 -6.912 685 1HG LYS 81 1HG LYS 81 -3.590 21.865 -5.589 686 2HG LYS 81 2HG LYS 81 -3.993 20.758 -4.244 687 1HD LYS 81 1HD LYS 81 -1.510 20.417 -3.933 688 2HD LYS 81 2HD LYS 81 -1.239 21.672 -5.160 689 1HE LYS 81 1HE LYS 81 -2.698 21.968 -2.485 690 2HE LYS 81 2HE LYS 81 -1.149 22.699 -2.937 691 1HZ LYS 81 1HZ LYS 81 -3.789 23.328 -4.108 692 2HZ LYS 81 2HZ LYS 81 -2.354 23.971 -4.603 693 3HZ LYS 81 3HZ LYS 81 -2.914 24.269 -3.084 694 H SER 82 H SER 82 -5.592 21.500 -5.415 695 HA SER 82 HA SER 82 -6.213 22.904 -7.771 696 1HB SER 82 1HB SER 82 -8.498 21.873 -6.018 697 2HB SER 82 2HB SER 82 -8.633 23.167 -7.220 698 HG SER 82 HG SER 82 -7.491 20.888 -8.239 Start of MODEL 16 1 1H MET 1 1H MET 1 8.042 8.297 6.991 2 2H MET 1 2H MET 1 9.227 9.403 7.136 3 3H MET 1 3H MET 1 8.730 8.539 8.487 4 HA MET 1 HA MET 1 6.590 9.528 8.391 5 1HB MET 1 1HB MET 1 8.576 11.813 7.991 6 2HB MET 1 2HB MET 1 7.086 11.809 8.945 7 1HG MET 1 1HG MET 1 9.727 10.476 9.577 8 2HG MET 1 2HG MET 1 8.853 11.687 10.512 9 1HE MET 1 1HE MET 1 9.007 8.438 12.769 10 2HE MET 1 2HE MET 1 9.507 10.137 12.619 11 3HE MET 1 3HE MET 1 10.221 8.899 11.554 12 H LYS 2 H LYS 2 5.539 11.749 7.293 13 HA LYS 2 HA LYS 2 4.896 10.897 4.682 14 1HB LYS 2 1HB LYS 2 3.343 12.196 5.925 15 2HB LYS 2 2HB LYS 2 4.457 13.574 6.027 16 1HG LYS 2 1HG LYS 2 4.329 14.015 3.695 17 2HG LYS 2 2HG LYS 2 3.555 12.472 3.329 18 1HD LYS 2 1HD LYS 2 2.253 14.603 5.082 19 2HD LYS 2 2HD LYS 2 2.116 14.629 3.323 20 1HE LYS 2 1HE LYS 2 1.183 12.319 5.087 21 2HE LYS 2 2HE LYS 2 0.155 13.575 4.383 22 1HZ LYS 2 1HZ LYS 2 1.705 11.570 2.907 23 2HZ LYS 2 2HZ LYS 2 0.921 12.842 2.202 24 3HZ LYS 2 3HZ LYS 2 0.073 11.695 3.022 25 H LYS 3 H LYS 3 5.992 10.986 2.865 26 HA LYS 3 HA LYS 3 7.581 13.327 2.104 27 1HB LYS 3 1HB LYS 3 9.230 11.779 3.160 28 2HB LYS 3 2HB LYS 3 8.602 10.441 2.195 29 1HG LYS 3 1HG LYS 3 10.703 11.176 1.309 30 2HG LYS 3 2HG LYS 3 9.449 11.509 0.122 31 1HD LYS 3 1HD LYS 3 9.432 13.923 0.875 32 2HD LYS 3 2HD LYS 3 10.687 13.542 2.057 33 1HE LYS 3 1HE LYS 3 10.976 13.220 -0.977 34 2HE LYS 3 2HE LYS 3 11.562 14.598 -0.036 35 1HZ LYS 3 1HZ LYS 3 12.963 13.091 1.191 36 2HZ LYS 3 2HZ LYS 3 12.470 11.824 0.257 37 3HZ LYS 3 3HZ LYS 3 13.295 13.068 -0.422 38 H ILE 4 H ILE 4 7.741 13.230 -0.349 39 HA ILE 4 HA ILE 4 5.357 12.396 -1.644 40 HB ILE 4 HB ILE 4 8.147 12.996 -2.694 41 1HG1 ILE 4 1HG1 ILE 4 7.009 15.002 -3.636 42 2HG1 ILE 4 2HG1 ILE 4 5.513 14.554 -2.811 43 1HG2 ILE 4 1HG2 ILE 4 5.599 12.451 -4.279 44 2HG2 ILE 4 2HG2 ILE 4 7.114 13.102 -4.935 45 3HG2 ILE 4 3HG2 ILE 4 7.078 11.464 -4.301 46 1HD1 ILE 4 1HD1 ILE 4 6.524 15.023 -0.647 47 2HD1 ILE 4 2HD1 ILE 4 8.145 15.163 -1.386 48 3HD1 ILE 4 3HD1 ILE 4 6.890 16.368 -1.726 49 HA PRO 5 HA PRO 5 6.511 8.132 -0.931 50 1HB PRO 5 1HB PRO 5 4.078 7.663 -2.708 51 2HB PRO 5 2HB PRO 5 4.640 6.722 -1.274 52 1HG PRO 5 1HG PRO 5 2.731 8.572 -1.015 53 2HG PRO 5 2HG PRO 5 4.108 8.680 0.123 54 1HD PRO 5 1HD PRO 5 3.766 10.203 -2.497 55 2HD PRO 5 2HD PRO 5 4.085 10.848 -0.868 56 H GLN 6 H GLN 6 8.326 7.450 -1.841 57 HA GLN 6 HA GLN 6 8.863 7.569 -4.696 58 1HB GLN 6 1HB GLN 6 10.487 6.469 -2.363 59 2HB GLN 6 2HB GLN 6 11.071 6.714 -4.023 60 1HG GLN 6 1HG GLN 6 10.565 9.143 -3.844 61 2HG GLN 6 2HG GLN 6 9.989 8.905 -2.186 62 1HE2 GLN 6 1HE2 GLN 6 11.604 10.656 -1.841 63 2HE2 GLN 6 2HE2 GLN 6 13.272 10.198 -1.550 64 H ILE 7 H ILE 7 6.874 6.251 -4.958 65 HA ILE 7 HA ILE 7 7.020 3.394 -4.318 66 HB ILE 7 HB ILE 7 4.946 5.328 -5.358 67 1HG1 ILE 7 1HG1 ILE 7 5.418 3.710 -2.835 68 2HG1 ILE 7 2HG1 ILE 7 5.446 5.458 -3.034 69 1HG2 ILE 7 1HG2 ILE 7 4.292 2.429 -4.892 70 2HG2 ILE 7 2HG2 ILE 7 4.575 3.092 -6.519 71 3HG2 ILE 7 3HG2 ILE 7 3.266 3.713 -5.529 72 1HD1 ILE 7 1HD1 ILE 7 2.946 5.281 -3.625 73 2HD1 ILE 7 2HD1 ILE 7 3.097 3.588 -3.063 74 3HD1 ILE 7 3HD1 ILE 7 3.399 4.905 -1.945 75 H SER 8 H SER 8 7.926 1.938 -5.555 76 HA SER 8 HA SER 8 8.571 2.416 -8.367 77 1HB SER 8 1HB SER 8 9.441 0.098 -8.253 78 2HB SER 8 2HB SER 8 10.057 1.080 -6.915 79 HG SER 8 HG SER 8 8.592 0.087 -5.541 80 H ASP 9 H ASP 9 7.782 0.801 -10.073 81 HA ASP 9 HA ASP 9 5.038 0.841 -10.396 82 1HB ASP 9 1HB ASP 9 6.542 0.403 -12.220 83 2HB ASP 9 2HB ASP 9 7.033 -1.154 -11.520 84 H ALA 10 H ALA 10 6.970 -1.858 -9.030 85 HA ALA 10 HA ALA 10 4.870 -3.710 -8.718 86 1HB ALA 10 1HB ALA 10 6.338 -4.787 -7.067 87 2HB ALA 10 2HB ALA 10 7.338 -3.320 -6.962 88 3HB ALA 10 3HB ALA 10 7.274 -4.256 -8.473 89 H GLU 11 H GLU 11 5.973 -1.101 -6.530 90 HA GLU 11 HA GLU 11 4.062 -1.726 -4.426 91 1HB GLU 11 1HB GLU 11 5.692 0.744 -5.104 92 2HB GLU 11 2HB GLU 11 4.668 0.579 -3.663 93 1HG GLU 11 1HG GLU 11 6.032 -1.177 -2.778 94 2HG GLU 11 2HG GLU 11 6.951 -1.334 -4.285 95 H LEU 12 H LEU 12 4.165 0.463 -7.263 96 HA LEU 12 HA LEU 12 1.858 1.925 -6.771 97 1HB LEU 12 1HB LEU 12 3.562 2.313 -8.614 98 2HB LEU 12 2HB LEU 12 2.784 1.004 -9.514 99 HG LEU 12 HG LEU 12 0.633 2.285 -9.493 100 1HD1 LEU 12 1HD1 LEU 12 0.922 3.751 -7.562 101 2HD1 LEU 12 2HD1 LEU 12 2.396 4.450 -8.258 102 3HD1 LEU 12 3HD1 LEU 12 0.815 4.753 -9.010 103 1HD2 LEU 12 1HD2 LEU 12 2.117 2.319 -11.421 104 2HD2 LEU 12 2HD2 LEU 12 3.092 3.610 -10.697 105 3HD2 LEU 12 3HD2 LEU 12 1.414 3.929 -11.193 106 H GLU 13 H GLU 13 2.175 -1.332 -8.286 107 HA GLU 13 HA GLU 13 -0.532 -1.709 -8.973 108 1HB GLU 13 1HB GLU 13 1.511 -3.633 -7.870 109 2HB GLU 13 2HB GLU 13 -0.037 -4.160 -8.501 110 1HG GLU 13 1HG GLU 13 2.055 -2.589 -10.109 111 2HG GLU 13 2HG GLU 13 1.826 -4.332 -10.178 112 H VAL 14 H VAL 14 1.043 -2.279 -5.773 113 HA VAL 14 HA VAL 14 -1.414 -3.272 -4.620 114 HB VAL 14 HB VAL 14 -0.354 -3.619 -2.703 115 1HG1 VAL 14 1HG1 VAL 14 0.968 -4.589 -4.628 116 2HG1 VAL 14 2HG1 VAL 14 2.150 -3.293 -4.390 117 3HG1 VAL 14 3HG1 VAL 14 1.836 -4.459 -3.090 118 1HG2 VAL 14 1HG2 VAL 14 1.544 -1.271 -2.987 119 2HG2 VAL 14 2HG2 VAL 14 1.451 -2.405 -1.645 120 3HG2 VAL 14 3HG2 VAL 14 0.096 -1.323 -1.968 121 H MET 15 H MET 15 0.170 -0.035 -4.736 122 HA MET 15 HA MET 15 -1.731 1.311 -3.141 123 1HB MET 15 1HB MET 15 -0.184 2.213 -5.598 124 2HB MET 15 2HB MET 15 -1.070 3.290 -4.527 125 1HG MET 15 1HG MET 15 1.037 1.384 -3.447 126 2HG MET 15 2HG MET 15 1.437 2.901 -4.175 127 1HE MET 15 1HE MET 15 0.306 5.220 -3.206 128 2HE MET 15 2HE MET 15 -0.323 5.381 -1.547 129 3HE MET 15 3HE MET 15 -1.330 4.632 -2.789 130 H LYS 16 H LYS 16 -1.778 0.659 -6.692 131 HA LYS 16 HA LYS 16 -4.235 1.923 -7.253 132 1HB LYS 16 1HB LYS 16 -2.524 1.048 -8.912 133 2HB LYS 16 2HB LYS 16 -3.131 -0.578 -8.586 134 1HG LYS 16 1HG LYS 16 -4.186 0.153 -10.559 135 2HG LYS 16 2HG LYS 16 -5.431 0.226 -9.300 136 1HD LYS 16 1HD LYS 16 -5.136 2.671 -9.099 137 2HD LYS 16 2HD LYS 16 -3.804 2.637 -10.262 138 1HE LYS 16 1HE LYS 16 -6.703 1.849 -10.837 139 2HE LYS 16 2HE LYS 16 -5.964 3.409 -11.228 140 1HZ LYS 16 1HZ LYS 16 -5.967 1.987 -13.111 141 2HZ LYS 16 2HZ LYS 16 -5.135 0.811 -12.314 142 3HZ LYS 16 3HZ LYS 16 -4.412 2.257 -12.637 143 H VAL 17 H VAL 17 -3.608 -1.511 -6.276 144 HA VAL 17 HA VAL 17 -6.344 -2.301 -6.229 145 HB VAL 17 HB VAL 17 -3.924 -3.214 -4.627 146 1HG1 VAL 17 1HG1 VAL 17 -6.684 -4.499 -4.677 147 2HG1 VAL 17 2HG1 VAL 17 -5.873 -3.805 -3.252 148 3HG1 VAL 17 3HG1 VAL 17 -5.200 -5.236 -4.028 149 1HG2 VAL 17 1HG2 VAL 17 -3.933 -3.661 -7.091 150 2HG2 VAL 17 2HG2 VAL 17 -4.036 -5.150 -6.140 151 3HG2 VAL 17 3HG2 VAL 17 -5.491 -4.486 -6.915 152 H ILE 18 H ILE 18 -4.327 -0.839 -3.634 153 HA ILE 18 HA ILE 18 -6.503 -0.713 -1.791 154 HB ILE 18 HB ILE 18 -3.822 0.685 -1.761 155 1HG1 ILE 18 1HG1 ILE 18 -4.750 -1.789 -0.227 156 2HG1 ILE 18 2HG1 ILE 18 -3.940 -1.929 -1.773 157 1HG2 ILE 18 1HG2 ILE 18 -5.724 0.204 0.597 158 2HG2 ILE 18 2HG2 ILE 18 -4.143 0.963 0.666 159 3HG2 ILE 18 3HG2 ILE 18 -5.452 1.781 -0.149 160 1HD1 ILE 18 1HD1 ILE 18 -2.769 -0.856 0.792 161 2HD1 ILE 18 2HD1 ILE 18 -1.997 -0.640 -0.805 162 3HD1 ILE 18 3HD1 ILE 18 -2.282 -2.264 -0.157 163 H TRP 19 H TRP 19 -5.652 1.402 -4.493 164 HA TRP 19 HA TRP 19 -7.308 3.583 -3.512 165 1HB TRP 19 1HB TRP 19 -5.467 2.953 -5.771 166 2HB TRP 19 2HB TRP 19 -6.756 3.973 -6.205 167 HD1 TRP 19 HD1 TRP 19 -6.776 5.746 -3.453 168 HE1 TRP 19 HE1 TRP 19 -4.795 7.319 -2.876 169 HE3 TRP 19 HE3 TRP 19 -3.221 3.905 -6.677 170 HZ2 TRP 19 HZ2 TRP 19 -2.139 7.686 -3.647 171 HZ3 TRP 19 HZ3 TRP 19 -1.003 4.973 -6.792 172 HH2 TRP 19 HH2 TRP 19 -0.403 6.823 -5.214 173 H LYS 20 H LYS 20 -7.644 0.768 -5.588 174 HA LYS 20 HA LYS 20 -10.174 1.509 -6.735 175 1HB LYS 20 1HB LYS 20 -8.481 -0.031 -7.757 176 2HB LYS 20 2HB LYS 20 -8.722 -1.154 -6.432 177 1HG LYS 20 1HG LYS 20 -9.838 -1.906 -8.441 178 2HG LYS 20 2HG LYS 20 -10.962 -1.660 -7.114 179 1HD LYS 20 1HD LYS 20 -11.943 -0.916 -9.182 180 2HD LYS 20 2HD LYS 20 -11.758 0.467 -8.118 181 1HE LYS 20 1HE LYS 20 -9.697 -0.211 -10.279 182 2HE LYS 20 2HE LYS 20 -11.168 0.704 -10.641 183 1HZ LYS 20 1HZ LYS 20 -10.528 2.334 -9.049 184 2HZ LYS 20 2HZ LYS 20 -9.375 2.160 -10.211 185 3HZ LYS 20 3HZ LYS 20 -9.132 1.535 -8.709 186 H HIS 21 H HIS 21 -9.222 -0.102 -3.790 187 HA HIS 21 HA HIS 21 -11.580 -1.548 -3.213 188 1HB HIS 21 1HB HIS 21 -10.468 -2.016 -1.188 189 2HB HIS 21 2HB HIS 21 -9.189 -1.743 -2.324 190 HD2 HIS 21 HD2 HIS 21 -7.740 -1.252 0.120 191 HE1 HIS 21 HE1 HIS 21 -9.328 2.627 0.623 192 HE2 HIS 21 HE2 HIS 21 -7.619 0.939 1.552 193 H SER 22 H SER 22 -12.559 -1.091 -0.765 194 HA SER 22 HA SER 22 -13.747 1.667 -0.696 195 1HB SER 22 1HB SER 22 -15.177 0.453 1.078 196 2HB SER 22 2HB SER 22 -15.416 -0.056 -0.608 197 HG SER 22 HG SER 22 -15.134 -1.876 0.762 198 H SER 23 H SER 23 -12.450 -0.893 1.281 199 HA SER 23 HA SER 23 -10.233 0.706 2.194 200 1HB SER 23 1HB SER 23 -11.940 -0.717 4.242 201 2HB SER 23 2HB SER 23 -10.303 -0.066 4.508 202 HG SER 23 HG SER 23 -12.048 1.705 3.316 203 H ILE 24 H ILE 24 -8.895 -1.572 3.451 204 HA ILE 24 HA ILE 24 -9.977 -4.021 2.489 205 HB ILE 24 HB ILE 24 -8.753 -3.209 0.451 206 1HG1 ILE 24 1HG1 ILE 24 -7.587 -5.778 1.504 207 2HG1 ILE 24 2HG1 ILE 24 -9.285 -5.610 1.011 208 1HG2 ILE 24 1HG2 ILE 24 -6.777 -2.258 1.825 209 2HG2 ILE 24 2HG2 ILE 24 -6.390 -3.183 0.358 210 3HG2 ILE 24 3HG2 ILE 24 -6.224 -3.937 1.956 211 1HD1 ILE 24 1HD1 ILE 24 -8.611 -4.920 -1.243 212 2HD1 ILE 24 2HD1 ILE 24 -6.901 -5.098 -0.807 213 3HD1 ILE 24 3HD1 ILE 24 -7.959 -6.515 -0.827 214 H ASN 25 H ASN 25 -8.978 -5.861 3.682 215 HA ASN 25 HA ASN 25 -7.225 -4.888 5.921 216 1HB ASN 25 1HB ASN 25 -7.837 -6.708 7.232 217 2HB ASN 25 2HB ASN 25 -9.291 -5.880 6.743 218 1HD2 ASN 25 1HD2 ASN 25 -10.906 -7.422 6.428 219 2HD2 ASN 25 2HD2 ASN 25 -10.657 -8.989 5.691 220 H THR 26 H THR 26 -5.490 -6.333 6.630 221 HA THR 26 HA THR 26 -3.767 -6.954 4.598 222 HB THR 26 HB THR 26 -3.601 -8.647 7.081 223 HG1 THR 26 HG1 THR 26 -3.153 -5.852 7.127 224 1HG2 THR 26 1HG2 THR 26 -1.599 -6.911 5.579 225 2HG2 THR 26 2HG2 THR 26 -1.251 -7.873 7.031 226 3HG2 THR 26 3HG2 THR 26 -1.737 -8.676 5.525 227 H ASN 27 H ASN 27 -6.210 -9.249 5.851 228 HA ASN 27 HA ASN 27 -4.970 -11.566 4.642 229 1HB ASN 27 1HB ASN 27 -6.754 -11.548 6.463 230 2HB ASN 27 2HB ASN 27 -7.940 -11.157 5.218 231 1HD2 ASN 27 1HD2 ASN 27 -6.319 -13.067 3.224 232 2HD2 ASN 27 2HD2 ASN 27 -6.874 -14.625 3.795 233 H GLU 28 H GLU 28 -7.519 -9.275 3.704 234 HA GLU 28 HA GLU 28 -8.139 -10.383 1.137 235 1HB GLU 28 1HB GLU 28 -8.466 -7.661 2.391 236 2HB GLU 28 2HB GLU 28 -9.120 -8.027 0.807 237 1HG GLU 28 1HG GLU 28 -10.476 -9.573 1.790 238 2HG GLU 28 2HG GLU 28 -9.766 -9.524 3.403 239 H VAL 29 H VAL 29 -5.968 -7.705 2.154 240 HA VAL 29 HA VAL 29 -5.172 -6.995 -0.461 241 HB VAL 29 HB VAL 29 -4.869 -5.859 1.963 242 1HG1 VAL 29 1HG1 VAL 29 -2.005 -6.660 1.316 243 2HG1 VAL 29 2HG1 VAL 29 -2.940 -7.349 2.647 244 3HG1 VAL 29 3HG1 VAL 29 -2.602 -5.624 2.632 245 1HG2 VAL 29 1HG2 VAL 29 -3.517 -4.165 0.962 246 2HG2 VAL 29 2HG2 VAL 29 -4.701 -4.731 -0.229 247 3HG2 VAL 29 3HG2 VAL 29 -3.008 -5.262 -0.341 248 H ILE 30 H ILE 30 -3.607 -9.214 1.922 249 HA ILE 30 HA ILE 30 -1.455 -9.870 0.174 250 HB ILE 30 HB ILE 30 -2.594 -11.269 2.612 251 1HG1 ILE 30 1HG1 ILE 30 -0.036 -9.689 1.986 252 2HG1 ILE 30 2HG1 ILE 30 -1.416 -9.086 2.903 253 1HG2 ILE 30 1HG2 ILE 30 -0.599 -12.734 2.552 254 2HG2 ILE 30 2HG2 ILE 30 -1.608 -13.013 1.145 255 3HG2 ILE 30 3HG2 ILE 30 -0.129 -12.042 0.985 256 1HD1 ILE 30 1HD1 ILE 30 0.564 -11.222 3.732 257 2HD1 ILE 30 2HD1 ILE 30 0.274 -9.641 4.459 258 3HD1 ILE 30 3HD1 ILE 30 -0.962 -10.912 4.606 259 H LYS 31 H LYS 31 -4.658 -11.475 0.718 260 HA LYS 31 HA LYS 31 -4.285 -13.586 -1.080 261 1HB LYS 31 1HB LYS 31 -6.207 -13.335 0.431 262 2HB LYS 31 2HB LYS 31 -6.793 -11.954 -0.497 263 1HG LYS 31 1HG LYS 31 -8.077 -13.895 -1.023 264 2HG LYS 31 2HG LYS 31 -7.168 -13.428 -2.464 265 1HD LYS 31 1HD LYS 31 -5.498 -15.188 -2.030 266 2HD LYS 31 2HD LYS 31 -6.287 -15.614 -0.504 267 1HE LYS 31 1HE LYS 31 -7.564 -15.845 -3.273 268 2HE LYS 31 2HE LYS 31 -6.842 -17.183 -2.357 269 1HZ LYS 31 1HZ LYS 31 -9.165 -15.602 -1.522 270 2HZ LYS 31 2HZ LYS 31 -8.461 -16.805 -0.643 271 3HZ LYS 31 3HZ LYS 31 -9.179 -17.147 -2.085 272 H GLU 32 H GLU 32 -5.692 -10.344 -1.787 273 HA GLU 32 HA GLU 32 -6.090 -10.644 -4.509 274 1HB GLU 32 1HB GLU 32 -6.907 -8.742 -3.060 275 2HB GLU 32 2HB GLU 32 -5.273 -8.098 -3.030 276 1HG GLU 32 1HG GLU 32 -6.685 -6.960 -4.654 277 2HG GLU 32 2HG GLU 32 -5.367 -7.782 -5.501 278 H LEU 33 H LEU 33 -3.210 -9.070 -2.942 279 HA LEU 33 HA LEU 33 -1.906 -8.811 -5.484 280 1HB LEU 33 1HB LEU 33 -0.960 -8.444 -2.647 281 2HB LEU 33 2HB LEU 33 0.175 -8.467 -4.000 282 HG LEU 33 HG LEU 33 -0.251 -6.238 -3.597 283 1HD1 LEU 33 1HD1 LEU 33 -1.021 -5.367 -5.659 284 2HD1 LEU 33 2HD1 LEU 33 -0.363 -6.969 -6.041 285 3HD1 LEU 33 3HD1 LEU 33 -2.118 -6.712 -5.942 286 1HD2 LEU 33 1HD2 LEU 33 -3.251 -6.749 -3.718 287 2HD2 LEU 33 2HD2 LEU 33 -2.294 -6.424 -2.254 288 3HD2 LEU 33 3HD2 LEU 33 -2.465 -5.176 -3.497 289 H SER 34 H SER 34 -1.660 -11.405 -3.014 290 HA SER 34 HA SER 34 0.534 -12.710 -4.275 291 1HB SER 34 1HB SER 34 -1.776 -13.979 -2.742 292 2HB SER 34 2HB SER 34 -0.216 -14.735 -3.128 293 HG SER 34 HG SER 34 -0.662 -12.456 -1.503 294 H LYS 35 H LYS 35 -3.018 -12.912 -4.898 295 HA LYS 35 HA LYS 35 -2.708 -14.970 -6.910 296 1HB LYS 35 1HB LYS 35 -4.921 -12.978 -6.282 297 2HB LYS 35 2HB LYS 35 -5.050 -14.178 -7.568 298 1HG LYS 35 1HG LYS 35 -4.534 -14.895 -4.646 299 2HG LYS 35 2HG LYS 35 -6.132 -14.827 -5.403 300 1HD LYS 35 1HD LYS 35 -5.369 -16.532 -7.096 301 2HD LYS 35 2HD LYS 35 -3.844 -16.691 -6.203 302 1HE LYS 35 1HE LYS 35 -5.100 -17.363 -4.171 303 2HE LYS 35 2HE LYS 35 -6.620 -17.262 -5.091 304 1HZ LYS 35 1HZ LYS 35 -4.368 -19.045 -5.692 305 2HZ LYS 35 2HZ LYS 35 -5.791 -19.484 -4.989 306 3HZ LYS 35 3HZ LYS 35 -5.774 -18.949 -6.547 307 H THR 36 H THR 36 -2.950 -11.388 -7.095 308 HA THR 36 HA THR 36 -2.867 -11.504 -10.011 309 HB THR 36 HB THR 36 -2.785 -9.007 -9.824 310 HG1 THR 36 HG1 THR 36 -3.277 -9.499 -7.076 311 1HG2 THR 36 1HG2 THR 36 -4.912 -10.243 -10.055 312 2HG2 THR 36 2HG2 THR 36 -4.996 -10.471 -8.298 313 3HG2 THR 36 3HG2 THR 36 -5.111 -8.841 -8.988 314 H SER 37 H SER 37 -0.322 -11.289 -7.565 315 HA SER 37 HA SER 37 1.645 -11.285 -9.760 316 1HB SER 37 1HB SER 37 1.561 -9.225 -7.526 317 2HB SER 37 2HB SER 37 2.974 -9.521 -8.564 318 HG SER 37 HG SER 37 0.672 -9.218 -10.008 319 H THR 38 H THR 38 3.435 -12.549 -9.302 320 HA THR 38 HA THR 38 3.225 -14.343 -7.061 321 HB THR 38 HB THR 38 5.364 -15.210 -8.103 322 HG1 THR 38 HG1 THR 38 6.057 -13.212 -8.898 323 1HG2 THR 38 1HG2 THR 38 4.322 -15.972 -10.189 324 2HG2 THR 38 2HG2 THR 38 3.066 -14.728 -10.065 325 3HG2 THR 38 3HG2 THR 38 3.143 -16.036 -8.864 326 H TRP 39 H TRP 39 3.267 -12.455 -5.470 327 HA TRP 39 HA TRP 39 6.051 -11.891 -4.538 328 1HB TRP 39 1HB TRP 39 3.448 -10.323 -4.291 329 2HB TRP 39 2HB TRP 39 4.948 -9.896 -3.493 330 HD1 TRP 39 HD1 TRP 39 6.741 -10.489 -6.244 331 HE1 TRP 39 HE1 TRP 39 6.707 -8.706 -8.102 332 HE3 TRP 39 HE3 TRP 39 2.527 -7.923 -4.860 333 HZ2 TRP 39 HZ2 TRP 39 5.059 -6.523 -8.913 334 HZ3 TRP 39 HZ3 TRP 39 1.753 -6.001 -6.207 335 HH2 TRP 39 HH2 TRP 39 2.988 -5.324 -8.258 336 H SER 40 H SER 40 6.431 -12.353 -2.335 337 HA SER 40 HA SER 40 4.635 -14.375 -1.270 338 1HB SER 40 1HB SER 40 6.324 -14.690 0.423 339 2HB SER 40 2HB SER 40 7.137 -14.476 -1.127 340 HG SER 40 HG SER 40 8.088 -13.224 0.540 341 HA PRO 41 HA PRO 41 2.274 -11.914 1.654 342 1HB PRO 41 1HB PRO 41 3.525 -13.734 3.752 343 2HB PRO 41 2HB PRO 41 1.823 -13.212 3.652 344 1HG PRO 41 1HG PRO 41 2.383 -15.589 2.800 345 2HG PRO 41 2HG PRO 41 1.419 -14.541 1.720 346 1HD PRO 41 1HD PRO 41 4.381 -15.134 1.532 347 2HD PRO 41 2HD PRO 41 3.150 -15.090 0.230 348 H LYS 42 H LYS 42 5.607 -12.846 2.663 349 HA LYS 42 HA LYS 42 6.084 -10.610 4.306 350 1HB LYS 42 1HB LYS 42 7.439 -12.698 4.304 351 2HB LYS 42 2HB LYS 42 8.084 -12.273 2.722 352 1HG LYS 42 1HG LYS 42 9.646 -11.743 4.570 353 2HG LYS 42 2HG LYS 42 9.231 -10.334 3.597 354 1HD LYS 42 1HD LYS 42 9.314 -9.779 5.975 355 2HD LYS 42 2HD LYS 42 7.700 -9.511 5.339 356 1HE LYS 42 1HE LYS 42 7.018 -11.772 6.307 357 2HE LYS 42 2HE LYS 42 8.645 -11.896 7.006 358 1HZ LYS 42 1HZ LYS 42 7.118 -11.057 8.577 359 2HZ LYS 42 2HZ LYS 42 8.123 -9.812 8.170 360 3HZ LYS 42 3HZ LYS 42 6.585 -9.884 7.557 361 H THR 43 H THR 43 6.639 -11.121 0.785 362 HA THR 43 HA THR 43 7.984 -8.666 0.255 363 HB THR 43 HB THR 43 5.995 -10.111 -1.543 364 HG1 THR 43 HG1 THR 43 7.725 -11.450 -0.776 365 1HG2 THR 43 1HG2 THR 43 7.368 -9.172 -3.382 366 2HG2 THR 43 2HG2 THR 43 6.569 -7.913 -2.427 367 3HG2 THR 43 3HG2 THR 43 8.304 -8.243 -2.194 368 H ILE 44 H ILE 44 4.495 -9.506 0.179 369 HA ILE 44 HA ILE 44 3.560 -6.900 -0.484 370 HB ILE 44 HB ILE 44 2.189 -9.234 0.873 371 1HG1 ILE 44 1HG1 ILE 44 1.917 -8.267 -2.006 372 2HG1 ILE 44 2HG1 ILE 44 3.193 -9.393 -1.562 373 1HG2 ILE 44 1HG2 ILE 44 1.054 -6.657 -0.319 374 2HG2 ILE 44 2HG2 ILE 44 0.916 -7.202 1.365 375 3HG2 ILE 44 3HG2 ILE 44 0.073 -8.074 0.083 376 1HD1 ILE 44 1HD1 ILE 44 0.236 -9.943 -1.271 377 2HD1 ILE 44 2HD1 ILE 44 1.370 -10.656 -2.424 378 3HD1 ILE 44 3HD1 ILE 44 1.542 -11.004 -0.696 379 H GLN 45 H GLN 45 4.016 -8.475 2.717 380 HA GLN 45 HA GLN 45 3.160 -6.318 4.342 381 1HB GLN 45 1HB GLN 45 5.260 -8.459 4.759 382 2HB GLN 45 2HB GLN 45 4.765 -7.332 6.026 383 1HG GLN 45 1HG GLN 45 2.552 -8.159 6.103 384 2HG GLN 45 2HG GLN 45 2.691 -8.994 4.561 385 1HE2 GLN 45 1HE2 GLN 45 1.964 -10.977 5.609 386 2HE2 GLN 45 2HE2 GLN 45 3.087 -11.890 6.605 387 H THR 46 H THR 46 6.369 -6.959 2.848 388 HA THR 46 HA THR 46 7.687 -4.741 4.053 389 HB THR 46 HB THR 46 8.321 -6.036 1.369 390 HG1 THR 46 HG1 THR 46 8.221 -7.547 3.084 391 1HG2 THR 46 1HG2 THR 46 10.630 -5.343 1.911 392 2HG2 THR 46 2HG2 THR 46 10.047 -4.509 3.365 393 3HG2 THR 46 3HG2 THR 46 9.566 -3.933 1.752 394 H MET 47 H MET 47 5.927 -5.047 0.917 395 HA MET 47 HA MET 47 6.355 -2.369 0.033 396 1HB MET 47 1HB MET 47 4.022 -4.270 -0.464 397 2HB MET 47 2HB MET 47 4.252 -2.727 -1.295 398 1HG MET 47 1HG MET 47 6.371 -3.471 -2.224 399 2HG MET 47 2HG MET 47 6.287 -4.990 -1.334 400 1HE MET 47 1HE MET 47 6.990 -5.930 -3.679 401 2HE MET 47 2HE MET 47 6.668 -4.463 -4.631 402 3HE MET 47 3HE MET 47 5.900 -6.008 -5.083 403 H LEU 48 H LEU 48 3.617 -3.769 1.905 404 HA LEU 48 HA LEU 48 2.184 -1.381 2.355 405 1HB LEU 48 1HB LEU 48 2.568 -3.870 4.058 406 2HB LEU 48 2HB LEU 48 1.450 -2.591 4.511 407 HG LEU 48 HG LEU 48 1.292 -3.984 1.799 408 1HD1 LEU 48 1HD1 LEU 48 1.136 -5.683 3.598 409 2HD1 LEU 48 2HD1 LEU 48 -0.391 -5.457 2.757 410 3HD1 LEU 48 3HD1 LEU 48 -0.158 -4.743 4.370 411 1HD2 LEU 48 1HD2 LEU 48 0.033 -1.869 1.954 412 2HD2 LEU 48 2HD2 LEU 48 -1.097 -3.233 1.977 413 3HD2 LEU 48 3HD2 LEU 48 -0.691 -2.392 3.483 414 H LEU 49 H LEU 49 4.705 -2.859 4.421 415 HA LEU 49 HA LEU 49 4.856 -0.915 6.409 416 1HB LEU 49 1HB LEU 49 5.896 -3.066 6.518 417 2HB LEU 49 2HB LEU 49 7.034 -2.682 5.230 418 HG LEU 49 HG LEU 49 6.971 -0.957 7.723 419 1HD1 LEU 49 1HD1 LEU 49 7.012 -3.269 8.560 420 2HD1 LEU 49 2HD1 LEU 49 8.357 -3.659 7.464 421 3HD1 LEU 49 3HD1 LEU 49 8.588 -2.497 8.789 422 1HD2 LEU 49 1HD2 LEU 49 8.489 -0.224 5.917 423 2HD2 LEU 49 2HD2 LEU 49 9.152 -1.863 5.772 424 3HD2 LEU 49 3HD2 LEU 49 9.454 -0.902 7.227 425 H ARG 50 H ARG 50 6.708 -1.017 3.295 426 HA ARG 50 HA ARG 50 8.140 1.372 3.671 427 1HB ARG 50 1HB ARG 50 7.165 -0.074 1.197 428 2HB ARG 50 2HB ARG 50 8.118 1.397 1.096 429 1HG ARG 50 1HG ARG 50 9.236 -0.672 2.949 430 2HG ARG 50 2HG ARG 50 9.132 -1.145 1.259 431 1HD ARG 50 1HD ARG 50 11.313 -0.136 1.726 432 2HD ARG 50 2HD ARG 50 10.388 0.813 0.544 433 HE ARG 50 HE ARG 50 10.019 1.724 3.283 434 1HH1 ARG 50 1HH1 ARG 50 12.299 1.856 0.594 435 2HH1 ARG 50 2HH1 ARG 50 12.916 3.432 1.006 436 1HH2 ARG 50 1HH2 ARG 50 10.795 3.788 3.831 437 2HH2 ARG 50 2HH2 ARG 50 12.061 4.537 2.900 438 H LEU 51 H LEU 51 5.046 0.980 1.761 439 HA LEU 51 HA LEU 51 4.443 3.625 1.339 440 1HB LEU 51 1HB LEU 51 2.877 1.071 1.822 441 2HB LEU 51 2HB LEU 51 2.046 2.575 1.461 442 HG LEU 51 HG LEU 51 2.910 2.782 -0.592 443 1HD1 LEU 51 1HD1 LEU 51 5.286 2.612 -0.392 444 2HD1 LEU 51 2HD1 LEU 51 5.175 0.838 -0.318 445 3HD1 LEU 51 3HD1 LEU 51 4.670 1.721 -1.757 446 1HD2 LEU 51 1HD2 LEU 51 1.372 0.814 -0.442 447 2HD2 LEU 51 2HD2 LEU 51 2.779 -0.251 -0.277 448 3HD2 LEU 51 3HD2 LEU 51 2.517 0.637 -1.787 449 H ILE 52 H ILE 52 3.660 1.740 4.318 450 HA ILE 52 HA ILE 52 2.247 3.889 5.560 451 HB ILE 52 HB ILE 52 3.714 1.481 6.678 452 1HG1 ILE 52 1HG1 ILE 52 0.738 2.083 6.594 453 2HG1 ILE 52 2HG1 ILE 52 1.543 1.321 5.233 454 1HG2 ILE 52 1HG2 ILE 52 3.716 3.196 8.443 455 2HG2 ILE 52 2HG2 ILE 52 1.994 3.521 8.159 456 3HG2 ILE 52 3HG2 ILE 52 2.524 1.964 8.828 457 1HD1 ILE 52 1HD1 ILE 52 0.545 -0.379 6.628 458 2HD1 ILE 52 2HD1 ILE 52 1.459 0.158 8.046 459 3HD1 ILE 52 3HD1 ILE 52 2.309 -0.542 6.654 460 H LYS 53 H LYS 53 5.720 2.891 5.885 461 HA LYS 53 HA LYS 53 6.424 5.045 7.592 462 1HB LYS 53 1HB LYS 53 8.092 3.395 5.656 463 2HB LYS 53 2HB LYS 53 8.765 4.623 6.745 464 1HG LYS 53 1HG LYS 53 7.718 3.455 8.690 465 2HG LYS 53 2HG LYS 53 7.202 2.151 7.606 466 1HD LYS 53 1HD LYS 53 9.561 1.724 6.984 467 2HD LYS 53 2HD LYS 53 10.102 3.041 8.033 468 1HE LYS 53 1HE LYS 53 8.601 0.559 9.001 469 2HE LYS 53 2HE LYS 53 10.358 0.779 9.074 470 1HZ LYS 53 1HZ LYS 53 9.998 2.683 10.473 471 2HZ LYS 53 2HZ LYS 53 8.366 2.448 10.436 472 3HZ LYS 53 3HZ LYS 53 9.344 1.323 11.134 473 H LYS 54 H LYS 54 6.271 4.968 4.000 474 HA LYS 54 HA LYS 54 7.416 7.569 3.616 475 1HB LYS 54 1HB LYS 54 5.664 5.684 1.989 476 2HB LYS 54 2HB LYS 54 6.290 7.199 1.366 477 1HG LYS 54 1HG LYS 54 8.582 6.480 1.576 478 2HG LYS 54 2HG LYS 54 8.107 5.025 2.464 479 1HD LYS 54 1HD LYS 54 6.842 4.219 0.481 480 2HD LYS 54 2HD LYS 54 7.372 5.638 -0.440 481 1HE LYS 54 1HE LYS 54 9.745 4.929 -0.149 482 2HE LYS 54 2HE LYS 54 9.206 3.551 0.825 483 1HZ LYS 54 1HZ LYS 54 9.643 2.885 -1.382 484 2HZ LYS 54 2HZ LYS 54 8.614 3.988 -2.019 485 3HZ LYS 54 3HZ LYS 54 8.029 2.736 -1.112 486 H GLY 55 H GLY 55 4.322 6.593 4.877 487 1HA GLY 55 1HA GLY 55 2.514 7.842 5.464 488 2HA GLY 55 2HA GLY 55 3.290 9.308 4.856 489 H ALA 56 H ALA 56 2.870 6.360 2.951 490 HA ALA 56 HA ALA 56 1.368 7.792 0.893 491 1HB ALA 56 1HB ALA 56 3.245 6.162 0.438 492 2HB ALA 56 2HB ALA 56 1.735 5.817 -0.431 493 3HB ALA 56 3HB ALA 56 2.180 4.863 0.993 494 H LEU 57 H LEU 57 0.865 5.166 3.265 495 HA LEU 57 HA LEU 57 -2.091 5.326 2.845 496 1HB LEU 57 1HB LEU 57 -0.472 2.801 3.265 497 2HB LEU 57 2HB LEU 57 -2.230 2.921 3.123 498 HG LEU 57 HG LEU 57 -0.221 3.555 0.898 499 1HD1 LEU 57 1HD1 LEU 57 -2.041 1.199 1.463 500 2HD1 LEU 57 2HD1 LEU 57 -1.157 1.440 -0.062 501 3HD1 LEU 57 3HD1 LEU 57 -0.267 1.188 1.460 502 1HD2 LEU 57 1HD2 LEU 57 -2.224 3.483 -0.594 503 2HD2 LEU 57 2HD2 LEU 57 -2.326 4.818 0.544 504 3HD2 LEU 57 3HD2 LEU 57 -3.262 3.328 0.829 505 H ASN 58 H ASN 58 -3.209 5.404 4.718 506 HA ASN 58 HA ASN 58 -1.716 5.331 7.317 507 1HB ASN 58 1HB ASN 58 -3.020 7.343 7.065 508 2HB ASN 58 2HB ASN 58 -4.422 6.459 6.457 509 1HD2 ASN 58 1HD2 ASN 58 -5.799 5.317 7.949 510 2HD2 ASN 58 2HD2 ASN 58 -5.576 5.485 9.689 511 H HIS 59 H HIS 59 -2.774 3.848 9.006 512 HA HIS 59 HA HIS 59 -4.607 1.886 7.818 513 1HB HIS 59 1HB HIS 59 -3.358 -0.030 8.493 514 2HB HIS 59 2HB HIS 59 -2.286 0.972 7.517 515 HD2 HIS 59 HD2 HIS 59 -0.083 1.994 8.846 516 HE1 HIS 59 HE1 HIS 59 -0.875 0.085 12.545 517 HE2 HIS 59 HE2 HIS 59 0.860 1.426 11.238 518 H HIS 60 H HIS 60 -5.647 0.529 9.349 519 HA HIS 60 HA HIS 60 -5.869 1.687 12.101 520 1HB HIS 60 1HB HIS 60 -7.877 2.343 10.972 521 2HB HIS 60 2HB HIS 60 -8.053 0.759 10.209 522 HD2 HIS 60 HD2 HIS 60 -8.457 2.355 13.793 523 HE1 HIS 60 HE1 HIS 60 -10.208 -1.500 13.797 524 HE2 HIS 60 HE2 HIS 60 -9.843 0.609 15.182 525 H LYS 61 H LYS 61 -5.817 0.181 13.722 526 HA LYS 61 HA LYS 61 -4.997 -2.552 12.969 527 1HB LYS 61 1HB LYS 61 -4.998 -1.065 15.607 528 2HB LYS 61 2HB LYS 61 -4.388 -2.711 15.346 529 1HG LYS 61 1HG LYS 61 -2.808 -1.827 13.614 530 2HG LYS 61 2HG LYS 61 -3.316 -0.184 13.987 531 1HD LYS 61 1HD LYS 61 -1.994 -2.172 15.900 532 2HD LYS 61 2HD LYS 61 -1.202 -0.799 15.125 533 1HE LYS 61 1HE LYS 61 -3.425 -0.663 17.219 534 2HE LYS 61 2HE LYS 61 -1.721 -0.260 17.442 535 1HZ LYS 61 1HZ LYS 61 -3.020 1.687 17.119 536 2HZ LYS 61 2HZ LYS 61 -3.584 1.150 15.669 537 3HZ LYS 61 3HZ LYS 61 -1.984 1.506 15.850 538 H GLU 62 H GLU 62 -6.892 -3.538 12.318 539 HA GLU 62 HA GLU 62 -9.154 -3.791 14.202 540 1HB GLU 62 1HB GLU 62 -9.703 -3.470 11.888 541 2HB GLU 62 2HB GLU 62 -8.696 -4.811 11.377 542 1HG GLU 62 1HG GLU 62 -11.107 -5.118 13.157 543 2HG GLU 62 2HG GLU 62 -11.146 -5.286 11.400 544 H GLY 63 H GLY 63 -9.498 -5.659 15.378 545 1HA GLY 63 1HA GLY 63 -7.215 -7.118 16.228 546 2HA GLY 63 2HA GLY 63 -8.888 -7.372 16.718 547 H ARG 64 H ARG 64 -7.009 -7.866 13.712 548 HA ARG 64 HA ARG 64 -6.890 -10.689 13.845 549 1HB ARG 64 1HB ARG 64 -9.285 -10.682 13.304 550 2HB ARG 64 2HB ARG 64 -8.968 -9.747 11.834 551 1HG ARG 64 1HG ARG 64 -7.561 -11.567 10.947 552 2HG ARG 64 2HG ARG 64 -7.686 -12.451 12.467 553 1HD ARG 64 1HD ARG 64 -9.970 -12.733 12.139 554 2HD ARG 64 2HD ARG 64 -10.064 -11.739 10.682 555 HE ARG 64 HE ARG 64 -9.140 -14.512 10.939 556 1HH1 ARG 64 1HH1 ARG 64 -8.923 -11.614 8.887 557 2HH1 ARG 64 2HH1 ARG 64 -8.455 -12.543 7.470 558 1HH2 ARG 64 1HH2 ARG 64 -8.475 -15.651 9.041 559 2HH2 ARG 64 2HH2 ARG 64 -8.163 -14.754 7.566 560 H VAL 65 H VAL 65 -7.370 -8.039 11.429 561 HA VAL 65 HA VAL 65 -4.578 -8.227 10.544 562 HB VAL 65 HB VAL 65 -5.608 -8.147 8.131 563 1HG1 VAL 65 1HG1 VAL 65 -4.114 -9.951 9.063 564 2HG1 VAL 65 2HG1 VAL 65 -5.277 -10.533 7.866 565 3HG1 VAL 65 3HG1 VAL 65 -5.565 -10.825 9.587 566 1HG2 VAL 65 1HG2 VAL 65 -7.613 -9.424 7.757 567 2HG2 VAL 65 2HG2 VAL 65 -8.008 -8.137 8.921 568 3HG2 VAL 65 3HG2 VAL 65 -7.786 -9.800 9.469 569 H PHE 66 H PHE 66 -4.067 -6.190 9.299 570 HA PHE 66 HA PHE 66 -5.684 -4.052 10.597 571 1HB PHE 66 1HB PHE 66 -3.842 -2.542 10.260 572 2HB PHE 66 2HB PHE 66 -3.547 -3.856 11.376 573 HD1 PHE 66 HD1 PHE 66 -2.279 -6.011 10.293 574 HD2 PHE 66 HD2 PHE 66 -1.914 -1.859 9.202 575 HE1 PHE 66 HE1 PHE 66 0.028 -6.414 9.538 576 HE2 PHE 66 HE2 PHE 66 0.469 -2.225 8.661 577 HZ PHE 66 HZ PHE 66 1.431 -4.518 8.752 578 H VAL 67 H VAL 67 -6.377 -2.269 9.473 579 HA VAL 67 HA VAL 67 -7.201 -2.923 6.724 580 HB VAL 67 HB VAL 67 -8.307 -0.975 8.765 581 1HG1 VAL 67 1HG1 VAL 67 -9.415 -1.811 6.053 582 2HG1 VAL 67 2HG1 VAL 67 -8.793 -0.197 6.474 583 3HG1 VAL 67 3HG1 VAL 67 -10.256 -0.809 7.252 584 1HG2 VAL 67 1HG2 VAL 67 -10.195 -2.570 8.910 585 2HG2 VAL 67 2HG2 VAL 67 -8.682 -3.325 9.421 586 3HG2 VAL 67 3HG2 VAL 67 -9.345 -3.677 7.812 587 H TYR 68 H TYR 68 -6.618 -1.624 4.985 588 HA TYR 68 HA TYR 68 -4.737 0.624 5.585 589 1HB TYR 68 1HB TYR 68 -5.095 -0.846 2.974 590 2HB TYR 68 2HB TYR 68 -3.848 0.331 3.389 591 HD1 TYR 68 HD1 TYR 68 -2.226 -0.230 5.326 592 HD2 TYR 68 HD2 TYR 68 -4.896 -3.125 3.583 593 HE1 TYR 68 HE1 TYR 68 -1.107 -2.036 6.595 594 HE2 TYR 68 HE2 TYR 68 -3.828 -4.891 4.897 595 HH TYR 68 HH TYR 68 -1.335 -4.280 7.332 596 H THR 69 H THR 69 -5.335 2.614 5.318 597 HA THR 69 HA THR 69 -7.651 3.309 3.611 598 HB THR 69 HB THR 69 -7.732 5.338 5.118 599 HG1 THR 69 HG1 THR 69 -5.439 4.535 5.863 600 1HG2 THR 69 1HG2 THR 69 -9.248 3.381 5.446 601 2HG2 THR 69 2HG2 THR 69 -8.030 2.624 6.497 602 3HG2 THR 69 3HG2 THR 69 -8.800 4.146 6.983 603 HA PRO 70 HA PRO 70 -4.509 5.144 0.887 604 1HB PRO 70 1HB PRO 70 -7.110 6.563 0.156 605 2HB PRO 70 2HB PRO 70 -5.800 6.034 -0.938 606 1HG PRO 70 1HG PRO 70 -8.020 4.380 -0.601 607 2HG PRO 70 2HG PRO 70 -6.351 3.740 -0.576 608 1HD PRO 70 1HD PRO 70 -8.180 4.444 1.718 609 2HD PRO 70 2HD PRO 70 -7.113 3.010 1.496 610 H ASN 71 H ASN 71 -3.089 6.769 1.679 611 HA ASN 71 HA ASN 71 -4.232 8.879 3.389 612 1HB ASN 71 1HB ASN 71 -1.974 7.573 3.764 613 2HB ASN 71 2HB ASN 71 -1.327 8.694 2.533 614 1HD2 ASN 71 1HD2 ASN 71 0.050 9.808 4.025 615 2HD2 ASN 71 2HD2 ASN 71 -0.609 10.764 5.353 616 H ILE 72 H ILE 72 -2.627 8.434 0.308 617 HA ILE 72 HA ILE 72 -2.962 11.304 -0.461 618 HB ILE 72 HB ILE 72 -1.192 10.676 -2.157 619 1HG1 ILE 72 1HG1 ILE 72 -0.359 8.449 -0.342 620 2HG1 ILE 72 2HG1 ILE 72 -1.587 8.066 -1.542 621 1HG2 ILE 72 1HG2 ILE 72 -0.538 11.993 -0.199 622 2HG2 ILE 72 2HG2 ILE 72 0.739 10.840 -0.596 623 3HG2 ILE 72 3HG2 ILE 72 -0.333 10.506 0.763 624 1HD1 ILE 72 1HD1 ILE 72 1.086 9.344 -2.188 625 2HD1 ILE 72 2HD1 ILE 72 -0.120 8.753 -3.338 626 3HD1 ILE 72 3HD1 ILE 72 0.737 7.601 -2.276 627 H ASP 73 H ASP 73 -3.419 11.606 -2.761 628 HA ASP 73 HA ASP 73 -5.354 9.609 -3.845 629 1HB ASP 73 1HB ASP 73 -6.206 11.888 -3.667 630 2HB ASP 73 2HB ASP 73 -4.783 12.534 -4.507 631 H GLU 74 H GLU 74 -5.131 9.078 -6.133 632 HA GLU 74 HA GLU 74 -2.699 8.128 -7.016 633 1HB GLU 74 1HB GLU 74 -4.947 9.226 -8.779 634 2HB GLU 74 2HB GLU 74 -3.679 8.083 -9.253 635 1HG GLU 74 1HG GLU 74 -4.511 6.554 -7.414 636 2HG GLU 74 2HG GLU 74 -5.935 7.593 -7.249 637 H SER 75 H SER 75 -4.101 11.329 -7.726 638 HA SER 75 HA SER 75 -2.132 12.281 -9.482 639 1HB SER 75 1HB SER 75 -3.620 14.014 -7.468 640 2HB SER 75 2HB SER 75 -3.048 14.449 -9.088 641 HG SER 75 HG SER 75 -5.234 12.830 -8.325 642 H ASP 76 H ASP 76 -1.745 11.772 -6.048 643 HA ASP 76 HA ASP 76 0.335 13.777 -5.691 644 1HB ASP 76 1HB ASP 76 -1.080 12.834 -3.840 645 2HB ASP 76 2HB ASP 76 -0.274 11.271 -4.099 646 H TYR 77 H TYR 77 0.194 10.652 -7.247 647 HA TYR 77 HA TYR 77 2.871 9.826 -6.609 648 1HB TYR 77 1HB TYR 77 1.050 8.256 -7.087 649 2HB TYR 77 2HB TYR 77 0.926 8.885 -8.731 650 HD1 TYR 77 HD1 TYR 77 1.836 7.489 -10.365 651 HD2 TYR 77 HD2 TYR 77 3.738 7.672 -6.494 652 HE1 TYR 77 HE1 TYR 77 3.625 5.975 -11.164 653 HE2 TYR 77 HE2 TYR 77 5.567 6.261 -7.337 654 HH TYR 77 HH TYR 77 6.262 4.865 -9.018 655 H ILE 78 H ILE 78 3.488 12.216 -7.271 656 HA ILE 78 HA ILE 78 4.749 12.071 -9.987 657 HB ILE 78 HB ILE 78 4.307 14.583 -8.328 658 1HG1 ILE 78 1HG1 ILE 78 2.499 13.346 -10.438 659 2HG1 ILE 78 2HG1 ILE 78 2.105 13.727 -8.756 660 1HG2 ILE 78 1HG2 ILE 78 4.791 14.188 -11.315 661 2HG2 ILE 78 2HG2 ILE 78 4.870 15.709 -10.397 662 3HG2 ILE 78 3HG2 ILE 78 6.097 14.465 -10.152 663 1HD1 ILE 78 1HD1 ILE 78 1.106 15.408 -10.120 664 2HD1 ILE 78 2HD1 ILE 78 2.449 16.153 -9.231 665 3HD1 ILE 78 3HD1 ILE 78 2.627 15.749 -10.958 666 H GLU 79 H GLU 79 6.557 10.839 -9.338 667 HA GLU 79 HA GLU 79 7.884 11.289 -6.818 668 1HB GLU 79 1HB GLU 79 8.708 9.735 -9.301 669 2HB GLU 79 2HB GLU 79 9.537 9.704 -7.744 670 1HG GLU 79 1HG GLU 79 7.466 8.852 -6.669 671 2HG GLU 79 2HG GLU 79 6.653 8.824 -8.240 672 H VAL 80 H VAL 80 8.641 13.364 -6.609 673 HA VAL 80 HA VAL 80 10.618 14.398 -8.570 674 HB VAL 80 HB VAL 80 10.154 16.569 -7.490 675 1HG1 VAL 80 1HG1 VAL 80 7.677 15.233 -8.640 676 2HG1 VAL 80 2HG1 VAL 80 8.014 16.973 -8.608 677 3HG1 VAL 80 3HG1 VAL 80 9.022 15.895 -9.592 678 1HG2 VAL 80 1HG2 VAL 80 9.257 15.793 -5.296 679 2HG2 VAL 80 2HG2 VAL 80 8.185 16.936 -6.114 680 3HG2 VAL 80 3HG2 VAL 80 7.794 15.212 -6.121 681 H LYS 81 H LYS 81 12.586 15.158 -7.815 682 HA LYS 81 HA LYS 81 14.471 15.154 -6.602 683 1HB LYS 81 1HB LYS 81 12.908 16.641 -5.187 684 2HB LYS 81 2HB LYS 81 12.776 15.275 -4.085 685 1HG LYS 81 1HG LYS 81 15.448 15.374 -4.113 686 2HG LYS 81 2HG LYS 81 15.192 16.974 -4.817 687 1HD LYS 81 1HD LYS 81 13.790 17.593 -2.842 688 2HD LYS 81 2HD LYS 81 14.027 15.961 -2.177 689 1HE LYS 81 1HE LYS 81 16.474 16.334 -2.084 690 2HE LYS 81 2HE LYS 81 16.252 17.982 -2.711 691 1HZ LYS 81 1HZ LYS 81 15.155 16.925 -0.201 692 2HZ LYS 81 2HZ LYS 81 14.938 18.459 -0.767 693 3HZ LYS 81 3HZ LYS 81 16.444 17.941 -0.340 694 H SER 82 H SER 82 14.174 13.827 -3.623 695 HA SER 82 HA SER 82 13.869 11.074 -3.943 696 1HB SER 82 1HB SER 82 16.719 12.189 -3.894 697 2HB SER 82 2HB SER 82 16.283 10.532 -3.447 698 HG SER 82 HG SER 82 15.370 11.403 -5.927 Start of MODEL 17 1 1H MET 1 1H MET 1 4.897 17.818 -5.141 2 2H MET 1 2H MET 1 5.739 18.703 -4.027 3 3H MET 1 3H MET 1 4.830 17.460 -3.532 4 HA MET 1 HA MET 1 3.726 19.469 -3.006 5 1HB MET 1 1HB MET 1 3.697 20.113 -5.979 6 2HB MET 1 2HB MET 1 3.139 21.113 -4.629 7 1HG MET 1 1HG MET 1 5.980 20.456 -5.429 8 2HG MET 1 2HG MET 1 5.204 22.032 -5.296 9 1HE MET 1 1HE MET 1 8.111 22.023 -2.617 10 2HE MET 1 2HE MET 1 7.493 22.782 -4.102 11 3HE MET 1 3HE MET 1 8.122 21.115 -4.146 12 H LYS 2 H LYS 2 2.907 16.739 -3.303 13 HA LYS 2 HA LYS 2 0.120 17.123 -3.803 14 1HB LYS 2 1HB LYS 2 1.624 15.214 -5.660 15 2HB LYS 2 2HB LYS 2 -0.113 15.161 -5.346 16 1HG LYS 2 1HG LYS 2 -0.176 17.627 -6.097 17 2HG LYS 2 2HG LYS 2 1.414 17.332 -6.808 18 1HD LYS 2 1HD LYS 2 -1.173 15.795 -7.379 19 2HD LYS 2 2HD LYS 2 -0.497 17.057 -8.405 20 1HE LYS 2 1HE LYS 2 0.880 14.399 -7.791 21 2HE LYS 2 2HE LYS 2 -0.048 14.762 -9.249 22 1HZ LYS 2 1HZ LYS 2 2.258 15.060 -9.625 23 2HZ LYS 2 2HZ LYS 2 1.493 16.515 -9.746 24 3HZ LYS 2 3HZ LYS 2 2.392 16.154 -8.409 25 H LYS 3 H LYS 3 -1.104 15.333 -2.989 26 HA LYS 3 HA LYS 3 0.204 14.077 -0.714 27 1HB LYS 3 1HB LYS 3 -2.076 13.284 -0.191 28 2HB LYS 3 2HB LYS 3 -1.924 15.036 -0.331 29 1HG LYS 3 1HG LYS 3 -3.039 15.038 -2.498 30 2HG LYS 3 2HG LYS 3 -3.014 13.263 -2.557 31 1HD LYS 3 1HD LYS 3 -4.460 13.190 -0.529 32 2HD LYS 3 2HD LYS 3 -4.451 14.958 -0.464 33 1HE LYS 3 1HE LYS 3 -6.526 14.197 -1.482 34 2HE LYS 3 2HE LYS 3 -5.561 15.046 -2.699 35 1HZ LYS 3 1HZ LYS 3 -4.869 12.916 -3.538 36 2HZ LYS 3 2HZ LYS 3 -5.734 12.127 -2.379 37 3HZ LYS 3 3HZ LYS 3 -6.512 13.016 -3.528 38 H ILE 4 H ILE 4 1.681 12.949 -2.392 39 HA ILE 4 HA ILE 4 0.724 10.167 -2.544 40 HB ILE 4 HB ILE 4 2.279 11.222 -4.888 41 1HG1 ILE 4 1HG1 ILE 4 -0.751 11.439 -4.706 42 2HG1 ILE 4 2HG1 ILE 4 0.403 12.782 -4.853 43 1HG2 ILE 4 1HG2 ILE 4 1.864 8.779 -4.422 44 2HG2 ILE 4 2HG2 ILE 4 1.280 9.300 -6.003 45 3HG2 ILE 4 3HG2 ILE 4 0.131 9.085 -4.667 46 1HD1 ILE 4 1HD1 ILE 4 -0.529 12.423 -6.999 47 2HD1 ILE 4 2HD1 ILE 4 -0.202 10.688 -6.958 48 3HD1 ILE 4 3HD1 ILE 4 1.149 11.846 -7.055 49 HA PRO 5 HA PRO 5 4.772 10.283 -0.691 50 1HB PRO 5 1HB PRO 5 5.150 7.467 -0.447 51 2HB PRO 5 2HB PRO 5 4.508 8.611 0.755 52 1HG PRO 5 1HG PRO 5 3.117 6.597 -0.550 53 2HG PRO 5 2HG PRO 5 2.342 7.958 0.289 54 1HD PRO 5 1HD PRO 5 3.002 7.603 -2.621 55 2HD PRO 5 2HD PRO 5 1.519 8.297 -1.910 56 H GLN 6 H GLN 6 7.003 9.972 -1.022 57 HA GLN 6 HA GLN 6 7.910 9.460 -3.752 58 1HB GLN 6 1HB GLN 6 10.201 9.722 -2.723 59 2HB GLN 6 2HB GLN 6 9.149 11.128 -2.707 60 1HG GLN 6 1HG GLN 6 9.421 9.359 -0.248 61 2HG GLN 6 2HG GLN 6 10.555 10.657 -0.610 62 1HE2 GLN 6 1HE2 GLN 6 9.716 12.928 -0.764 63 2HE2 GLN 6 2HE2 GLN 6 8.209 13.304 0.072 64 H ILE 7 H ILE 7 7.989 7.415 -4.494 65 HA ILE 7 HA ILE 7 8.080 5.176 -2.511 66 HB ILE 7 HB ILE 7 6.063 6.054 -4.522 67 1HG1 ILE 7 1HG1 ILE 7 5.973 6.264 -2.011 68 2HG1 ILE 7 2HG1 ILE 7 4.542 5.701 -2.872 69 1HG2 ILE 7 1HG2 ILE 7 6.354 3.117 -3.996 70 2HG2 ILE 7 2HG2 ILE 7 6.509 3.954 -5.557 71 3HG2 ILE 7 3HG2 ILE 7 4.956 3.927 -4.712 72 1HD1 ILE 7 1HD1 ILE 7 4.994 3.399 -2.197 73 2HD1 ILE 7 2HD1 ILE 7 6.558 3.866 -1.492 74 3HD1 ILE 7 3HD1 ILE 7 5.046 4.462 -0.776 75 H SER 8 H SER 8 8.509 3.103 -3.215 76 HA SER 8 HA SER 8 10.576 2.912 -5.304 77 1HB SER 8 1HB SER 8 10.710 1.892 -2.954 78 2HB SER 8 2HB SER 8 9.421 0.789 -3.470 79 HG SER 8 HG SER 8 11.502 -0.069 -3.654 80 H ASP 9 H ASP 9 10.311 1.663 -7.180 81 HA ASP 9 HA ASP 9 7.939 1.712 -8.511 82 1HB ASP 9 1HB ASP 9 9.025 0.442 -10.137 83 2HB ASP 9 2HB ASP 9 10.276 1.418 -9.401 84 H ALA 10 H ALA 10 9.232 -1.097 -6.675 85 HA ALA 10 HA ALA 10 7.070 -2.853 -7.322 86 1HB ALA 10 1HB ALA 10 8.882 -2.821 -4.860 87 2HB ALA 10 2HB ALA 10 7.857 -4.175 -5.381 88 3HB ALA 10 3HB ALA 10 9.214 -3.649 -6.397 89 H GLU 11 H GLU 11 7.575 -0.799 -4.431 90 HA GLU 11 HA GLU 11 5.195 -1.437 -3.048 91 1HB GLU 11 1HB GLU 11 6.738 1.169 -3.219 92 2HB GLU 11 2HB GLU 11 5.435 0.859 -2.066 93 1HG GLU 11 1HG GLU 11 6.746 -0.952 -1.043 94 2HG GLU 11 2HG GLU 11 8.049 -0.701 -2.218 95 H LEU 12 H LEU 12 5.811 0.968 -5.651 96 HA LEU 12 HA LEU 12 3.397 2.280 -5.572 97 1HB LEU 12 1HB LEU 12 5.379 2.719 -7.174 98 2HB LEU 12 2HB LEU 12 4.707 1.436 -8.185 99 HG LEU 12 HG LEU 12 2.505 2.773 -8.232 100 1HD1 LEU 12 1HD1 LEU 12 2.729 5.205 -7.761 101 2HD1 LEU 12 2HD1 LEU 12 4.326 4.906 -7.049 102 3HD1 LEU 12 3HD1 LEU 12 2.877 4.236 -6.288 103 1HD2 LEU 12 1HD2 LEU 12 3.447 4.378 -9.934 104 2HD2 LEU 12 2HD2 LEU 12 3.853 2.667 -10.160 105 3HD2 LEU 12 3HD2 LEU 12 5.055 3.771 -9.489 106 H GLU 13 H GLU 13 3.960 -0.983 -6.971 107 HA GLU 13 HA GLU 13 1.506 -1.237 -8.375 108 1HB GLU 13 1HB GLU 13 3.072 -3.286 -6.792 109 2HB GLU 13 2HB GLU 13 1.817 -3.674 -7.953 110 1HG GLU 13 1HG GLU 13 4.480 -2.270 -8.563 111 2HG GLU 13 2HG GLU 13 4.050 -3.929 -8.966 112 H VAL 14 H VAL 14 2.315 -1.742 -4.941 113 HA VAL 14 HA VAL 14 -0.326 -2.747 -4.327 114 HB VAL 14 HB VAL 14 0.362 -3.206 -2.287 115 1HG1 VAL 14 1HG1 VAL 14 3.141 -2.876 -3.474 116 2HG1 VAL 14 2HG1 VAL 14 2.592 -4.072 -2.287 117 3HG1 VAL 14 3HG1 VAL 14 2.001 -4.143 -3.954 118 1HG2 VAL 14 1HG2 VAL 14 2.240 -0.859 -2.074 119 2HG2 VAL 14 2HG2 VAL 14 0.649 -1.034 -1.312 120 3HG2 VAL 14 3HG2 VAL 14 1.973 -2.109 -0.855 121 H MET 15 H MET 15 1.391 0.374 -4.045 122 HA MET 15 HA MET 15 -0.611 1.811 -2.698 123 1HB MET 15 1HB MET 15 1.162 2.951 -4.868 124 2HB MET 15 2HB MET 15 0.164 3.776 -3.651 125 1HG MET 15 1HG MET 15 1.539 2.147 -2.038 126 2HG MET 15 2HG MET 15 2.723 2.399 -3.291 127 1HE MET 15 1HE MET 15 -0.082 4.369 -1.407 128 2HE MET 15 2HE MET 15 0.984 3.809 -0.093 129 3HE MET 15 3HE MET 15 0.850 5.543 -0.454 130 H LYS 16 H LYS 16 -0.177 1.331 -6.223 131 HA LYS 16 HA LYS 16 -2.519 2.780 -7.002 132 1HB LYS 16 1HB LYS 16 -0.813 0.710 -8.374 133 2HB LYS 16 2HB LYS 16 -2.167 1.545 -9.172 134 1HG LYS 16 1HG LYS 16 0.057 3.113 -7.839 135 2HG LYS 16 2HG LYS 16 0.244 2.452 -9.470 136 1HD LYS 16 1HD LYS 16 -1.667 3.692 -10.305 137 2HD LYS 16 2HD LYS 16 -2.114 4.231 -8.687 138 1HE LYS 16 1HE LYS 16 -1.003 6.041 -9.876 139 2HE LYS 16 2HE LYS 16 -0.011 5.528 -8.503 140 1HZ LYS 16 1HZ LYS 16 1.320 4.257 -10.028 141 2HZ LYS 16 2HZ LYS 16 1.284 5.842 -10.475 142 3HZ LYS 16 3HZ LYS 16 0.391 4.732 -11.304 143 H VAL 17 H VAL 17 -2.057 -0.779 -6.317 144 HA VAL 17 HA VAL 17 -4.732 -1.446 -6.976 145 HB VAL 17 HB VAL 17 -2.621 -2.608 -5.144 146 1HG1 VAL 17 1HG1 VAL 17 -4.599 -3.123 -3.928 147 2HG1 VAL 17 2HG1 VAL 17 -4.188 -4.566 -4.865 148 3HG1 VAL 17 3HG1 VAL 17 -5.502 -3.507 -5.421 149 1HG2 VAL 17 1HG2 VAL 17 -4.084 -3.678 -7.603 150 2HG2 VAL 17 2HG2 VAL 17 -2.720 -4.448 -6.777 151 3HG2 VAL 17 3HG2 VAL 17 -2.478 -2.918 -7.631 152 H ILE 18 H ILE 18 -3.332 -0.200 -3.880 153 HA ILE 18 HA ILE 18 -5.791 -0.245 -2.449 154 HB ILE 18 HB ILE 18 -3.339 1.529 -2.162 155 1HG1 ILE 18 1HG1 ILE 18 -4.156 -0.728 -0.335 156 2HG1 ILE 18 2HG1 ILE 18 -3.276 -1.113 -1.811 157 1HG2 ILE 18 1HG2 ILE 18 -5.725 1.187 -0.297 158 2HG2 ILE 18 2HG2 ILE 18 -5.219 2.680 -1.111 159 3HG2 ILE 18 3HG2 ILE 18 -4.207 1.985 0.149 160 1HD1 ILE 18 1HD1 ILE 18 -1.766 -0.888 0.088 161 2HD1 ILE 18 2HD1 ILE 18 -2.360 0.755 0.396 162 3HD1 ILE 18 3HD1 ILE 18 -1.449 0.405 -1.086 163 H TRP 19 H TRP 19 -4.251 2.504 -4.211 164 HA TRP 19 HA TRP 19 -6.367 4.328 -3.896 165 1HB TRP 19 1HB TRP 19 -4.264 4.074 -6.081 166 2HB TRP 19 2HB TRP 19 -5.341 5.455 -5.909 167 HD1 TRP 19 HD1 TRP 19 -5.208 5.999 -2.863 168 HE1 TRP 19 HE1 TRP 19 -3.092 7.030 -1.806 169 HE3 TRP 19 HE3 TRP 19 -1.720 4.691 -6.423 170 HZ2 TRP 19 HZ2 TRP 19 -0.360 7.247 -2.377 171 HZ3 TRP 19 HZ3 TRP 19 0.670 5.241 -6.038 172 HH2 TRP 19 HH2 TRP 19 1.353 6.551 -4.069 173 H LYS 20 H LYS 20 -6.094 1.710 -6.278 174 HA LYS 20 HA LYS 20 -8.139 2.635 -7.999 175 1HB LYS 20 1HB LYS 20 -6.587 0.806 -8.540 176 2HB LYS 20 2HB LYS 20 -7.299 -0.200 -7.274 177 1HG LYS 20 1HG LYS 20 -8.063 -0.882 -9.467 178 2HG LYS 20 2HG LYS 20 -9.415 -0.321 -8.478 179 1HD LYS 20 1HD LYS 20 -9.434 1.845 -9.687 180 2HD LYS 20 2HD LYS 20 -7.973 1.378 -10.577 181 1HE LYS 20 1HE LYS 20 -9.948 1.091 -11.981 182 2HE LYS 20 2HE LYS 20 -9.234 -0.493 -11.639 183 1HZ LYS 20 1HZ LYS 20 -11.538 0.685 -10.239 184 2HZ LYS 20 2HZ LYS 20 -10.904 -0.809 -9.961 185 3HZ LYS 20 3HZ LYS 20 -11.618 -0.476 -11.406 186 H HIS 21 H HIS 21 -8.318 1.334 -4.748 187 HA HIS 21 HA HIS 21 -11.275 0.967 -4.923 188 1HB HIS 21 1HB HIS 21 -9.648 -0.962 -4.300 189 2HB HIS 21 2HB HIS 21 -9.354 -0.083 -2.829 190 HD2 HIS 21 HD2 HIS 21 -10.659 -3.053 -2.821 191 HE1 HIS 21 HE1 HIS 21 -14.322 -1.139 -1.927 192 HE2 HIS 21 HE2 HIS 21 -13.084 -3.377 -1.903 193 H SER 22 H SER 22 -12.111 1.429 -2.499 194 HA SER 22 HA SER 22 -11.727 4.312 -2.037 195 1HB SER 22 1HB SER 22 -13.293 3.749 -0.076 196 2HB SER 22 2HB SER 22 -13.933 3.408 -1.693 197 HG SER 22 HG SER 22 -13.491 1.219 -1.398 198 H SER 23 H SER 23 -11.344 1.389 -0.108 199 HA SER 23 HA SER 23 -8.590 2.104 0.556 200 1HB SER 23 1HB SER 23 -10.654 1.379 2.698 201 2HB SER 23 2HB SER 23 -8.901 1.361 2.965 202 HG SER 23 HG SER 23 -9.858 3.662 1.767 203 H ILE 24 H ILE 24 -8.223 -0.537 1.957 204 HA ILE 24 HA ILE 24 -9.798 -2.405 0.347 205 HB ILE 24 HB ILE 24 -8.098 -1.754 -1.259 206 1HG1 ILE 24 1HG1 ILE 24 -7.432 -4.560 -0.334 207 2HG1 ILE 24 2HG1 ILE 24 -9.002 -4.135 -1.042 208 1HG2 ILE 24 1HG2 ILE 24 -6.326 -1.113 0.410 209 2HG2 ILE 24 2HG2 ILE 24 -5.749 -2.142 -0.903 210 3HG2 ILE 24 3HG2 ILE 24 -6.031 -2.831 0.713 211 1HD1 ILE 24 1HD1 ILE 24 -7.910 -3.314 -3.085 212 2HD1 ILE 24 2HD1 ILE 24 -7.493 -5.007 -2.765 213 3HD1 ILE 24 3HD1 ILE 24 -6.320 -3.733 -2.422 214 H ASN 25 H ASN 25 -10.083 -4.384 1.345 215 HA ASN 25 HA ASN 25 -8.997 -4.618 4.060 216 1HB ASN 25 1HB ASN 25 -10.053 -6.811 4.138 217 2HB ASN 25 2HB ASN 25 -11.220 -5.533 3.908 218 1HD2 ASN 25 1HD2 ASN 25 -12.442 -5.551 1.965 219 2HD2 ASN 25 2HD2 ASN 25 -12.319 -6.820 0.768 220 H THR 26 H THR 26 -7.595 -6.139 4.789 221 HA THR 26 HA THR 26 -5.368 -6.598 3.263 222 HB THR 26 HB THR 26 -6.232 -8.323 5.624 223 HG1 THR 26 HG1 THR 26 -6.279 -6.088 6.113 224 1HG2 THR 26 1HG2 THR 26 -3.511 -7.614 4.412 225 2HG2 THR 26 2HG2 THR 26 -3.736 -8.402 5.991 226 3HG2 THR 26 3HG2 THR 26 -4.237 -9.231 4.510 227 H ASN 27 H ASN 27 -8.106 -8.951 3.506 228 HA ASN 27 HA ASN 27 -6.724 -11.051 2.156 229 1HB ASN 27 1HB ASN 27 -8.834 -11.553 3.180 230 2HB ASN 27 2HB ASN 27 -9.680 -10.324 2.228 231 1HD2 ASN 27 1HD2 ASN 27 -10.542 -10.916 0.235 232 2HD2 ASN 27 2HD2 ASN 27 -10.220 -12.461 -0.531 233 H GLU 28 H GLU 28 -8.845 -8.452 0.748 234 HA GLU 28 HA GLU 28 -8.389 -9.193 -1.954 235 1HB GLU 28 1HB GLU 28 -9.100 -6.545 -0.626 236 2HB GLU 28 2HB GLU 28 -9.006 -6.779 -2.384 237 1HG GLU 28 1HG GLU 28 -10.693 -8.520 -2.318 238 2HG GLU 28 2HG GLU 28 -10.807 -8.426 -0.565 239 H VAL 29 H VAL 29 -6.574 -7.034 0.275 240 HA VAL 29 HA VAL 29 -4.784 -6.125 -1.712 241 HB VAL 29 HB VAL 29 -5.158 -5.626 1.018 242 1HG1 VAL 29 1HG1 VAL 29 -2.255 -6.479 0.657 243 2HG1 VAL 29 2HG1 VAL 29 -2.938 -5.539 1.986 244 3HG1 VAL 29 3HG1 VAL 29 -3.418 -7.215 1.778 245 1HG2 VAL 29 1HG2 VAL 29 -2.979 -4.599 -0.830 246 2HG2 VAL 29 2HG2 VAL 29 -3.662 -3.760 0.583 247 3HG2 VAL 29 3HG2 VAL 29 -4.665 -4.072 -0.845 248 H ILE 30 H ILE 30 -4.224 -8.860 0.613 249 HA ILE 30 HA ILE 30 -1.784 -9.635 -0.556 250 HB ILE 30 HB ILE 30 -3.834 -11.357 0.907 251 1HG1 ILE 30 1HG1 ILE 30 -1.523 -9.577 1.760 252 2HG1 ILE 30 2HG1 ILE 30 -3.172 -9.567 2.340 253 1HG2 ILE 30 1HG2 ILE 30 -1.943 -12.887 1.318 254 2HG2 ILE 30 2HG2 ILE 30 -2.154 -12.702 -0.414 255 3HG2 ILE 30 3HG2 ILE 30 -0.851 -11.819 0.410 256 1HD1 ILE 30 1HD1 ILE 30 -2.769 -11.797 3.425 257 2HD1 ILE 30 2HD1 ILE 30 -1.816 -10.445 4.072 258 3HD1 ILE 30 3HD1 ILE 30 -1.044 -11.615 2.999 259 H LYS 31 H LYS 31 -5.110 -10.773 -1.353 260 HA LYS 31 HA LYS 31 -4.291 -12.615 -3.350 261 1HB LYS 31 1HB LYS 31 -6.836 -10.971 -3.084 262 2HB LYS 31 2HB LYS 31 -6.618 -12.273 -4.255 263 1HG LYS 31 1HG LYS 31 -6.439 -12.621 -1.228 264 2HG LYS 31 2HG LYS 31 -7.856 -12.966 -2.222 265 1HD LYS 31 1HD LYS 31 -6.420 -14.614 -3.533 266 2HD LYS 31 2HD LYS 31 -5.148 -14.371 -2.324 267 1HE LYS 31 1HE LYS 31 -7.966 -15.432 -1.803 268 2HE LYS 31 2HE LYS 31 -6.464 -16.369 -1.802 269 1HZ LYS 31 1HZ LYS 31 -7.191 -14.237 0.087 270 2HZ LYS 31 2HZ LYS 31 -5.724 -14.995 0.047 271 3HZ LYS 31 3HZ LYS 31 -7.091 -15.846 0.396 272 H GLU 32 H GLU 32 -5.435 -9.192 -3.873 273 HA GLU 32 HA GLU 32 -4.994 -9.255 -6.637 274 1HB GLU 32 1HB GLU 32 -6.364 -7.602 -5.289 275 2HB GLU 32 2HB GLU 32 -4.845 -6.835 -4.801 276 1HG GLU 32 1HG GLU 32 -5.825 -5.622 -6.650 277 2HG GLU 32 2HG GLU 32 -4.351 -6.402 -7.241 278 H LEU 33 H LEU 33 -2.802 -8.086 -3.993 279 HA LEU 33 HA LEU 33 -0.731 -7.205 -5.754 280 1HB LEU 33 1HB LEU 33 -0.692 -8.094 -2.867 281 2HB LEU 33 2HB LEU 33 0.748 -7.652 -3.743 282 HG LEU 33 HG LEU 33 0.267 -5.567 -3.784 283 1HD1 LEU 33 1HD1 LEU 33 -2.729 -5.846 -3.343 284 2HD1 LEU 33 2HD1 LEU 33 -1.915 -5.421 -4.863 285 3HD1 LEU 33 3HD1 LEU 33 -1.852 -4.329 -3.480 286 1HD2 LEU 33 1HD2 LEU 33 -1.002 -6.592 -1.254 287 2HD2 LEU 33 2HD2 LEU 33 0.646 -5.974 -1.520 288 3HD2 LEU 33 3HD2 LEU 33 -0.731 -4.869 -1.477 289 H SER 34 H SER 34 -1.094 -10.395 -4.021 290 HA SER 34 HA SER 34 1.236 -11.511 -5.147 291 1HB SER 34 1HB SER 34 0.320 -13.692 -4.564 292 2HB SER 34 2HB SER 34 0.172 -12.521 -3.246 293 HG SER 34 HG SER 34 -2.019 -12.214 -3.885 294 H LYS 35 H LYS 35 -2.107 -11.477 -6.451 295 HA LYS 35 HA LYS 35 -1.575 -13.123 -8.724 296 1HB LYS 35 1HB LYS 35 -3.609 -10.927 -8.185 297 2HB LYS 35 2HB LYS 35 -3.602 -11.882 -9.672 298 1HG LYS 35 1HG LYS 35 -3.975 -13.943 -8.495 299 2HG LYS 35 2HG LYS 35 -3.704 -13.187 -6.919 300 1HD LYS 35 1HD LYS 35 -5.695 -11.735 -7.265 301 2HD LYS 35 2HD LYS 35 -5.990 -12.514 -8.832 302 1HE LYS 35 1HE LYS 35 -6.291 -14.700 -7.698 303 2HE LYS 35 2HE LYS 35 -5.936 -13.948 -6.131 304 1HZ LYS 35 1HZ LYS 35 -8.201 -13.277 -7.875 305 2HZ LYS 35 2HZ LYS 35 -8.274 -14.174 -6.495 306 3HZ LYS 35 3HZ LYS 35 -7.871 -12.578 -6.419 307 H THR 36 H THR 36 -1.514 -9.540 -8.357 308 HA THR 36 HA THR 36 -0.776 -9.133 -11.124 309 HB THR 36 HB THR 36 -0.398 -6.772 -10.405 310 HG1 THR 36 HG1 THR 36 -1.336 -7.709 -7.894 311 1HG2 THR 36 1HG2 THR 36 -2.604 -7.532 -11.181 312 2HG2 THR 36 2HG2 THR 36 -3.022 -8.097 -9.557 313 3HG2 THR 36 3HG2 THR 36 -2.795 -6.365 -9.857 314 H SER 37 H SER 37 1.137 -9.579 -8.161 315 HA SER 37 HA SER 37 3.537 -9.878 -9.856 316 1HB SER 37 1HB SER 37 3.269 -7.924 -7.548 317 2HB SER 37 2HB SER 37 4.827 -8.462 -8.217 318 HG SER 37 HG SER 37 3.021 -7.636 -10.126 319 H THR 38 H THR 38 4.458 -11.774 -9.294 320 HA THR 38 HA THR 38 3.374 -13.449 -7.305 321 HB THR 38 HB THR 38 5.361 -14.875 -7.968 322 HG1 THR 38 HG1 THR 38 6.732 -13.108 -8.384 323 1HG2 THR 38 1HG2 THR 38 3.788 -13.642 -10.287 324 2HG2 THR 38 2HG2 THR 38 4.636 -15.198 -10.289 325 3HG2 THR 38 3HG2 THR 38 3.224 -14.962 -9.240 326 H TRP 39 H TRP 39 3.524 -11.989 -5.464 327 HA TRP 39 HA TRP 39 6.068 -12.233 -3.918 328 1HB TRP 39 1HB TRP 39 3.772 -10.239 -3.883 329 2HB TRP 39 2HB TRP 39 5.104 -10.218 -2.742 330 HD1 TRP 39 HD1 TRP 39 7.379 -10.706 -5.096 331 HE1 TRP 39 HE1 TRP 39 8.059 -8.667 -6.521 332 HE3 TRP 39 HE3 TRP 39 3.290 -7.724 -4.296 333 HZ2 TRP 39 HZ2 TRP 39 6.993 -6.109 -7.205 334 HZ3 TRP 39 HZ3 TRP 39 3.132 -5.519 -5.394 335 HH2 TRP 39 HH2 TRP 39 4.999 -4.682 -6.815 336 H SER 40 H SER 40 5.895 -13.114 -1.832 337 HA SER 40 HA SER 40 3.582 -14.866 -1.490 338 1HB SER 40 1HB SER 40 4.859 -15.898 0.256 339 2HB SER 40 2HB SER 40 5.987 -15.544 -1.052 340 HG SER 40 HG SER 40 6.596 -13.646 0.128 341 HA PRO 41 HA PRO 41 1.300 -12.462 1.509 342 1HB PRO 41 1HB PRO 41 1.721 -14.767 3.434 343 2HB PRO 41 2HB PRO 41 0.228 -13.831 3.134 344 1HG PRO 41 1HG PRO 41 0.520 -16.243 1.954 345 2HG PRO 41 2HG PRO 41 -0.043 -14.862 0.966 346 1HD PRO 41 1HD PRO 41 2.749 -16.005 1.150 347 2HD PRO 41 2HD PRO 41 1.814 -15.530 -0.302 348 H LYS 42 H LYS 42 4.316 -14.038 2.612 349 HA LYS 42 HA LYS 42 4.803 -12.375 4.911 350 1HB LYS 42 1HB LYS 42 6.817 -13.744 3.089 351 2HB LYS 42 2HB LYS 42 7.079 -13.195 4.749 352 1HG LYS 42 1HG LYS 42 5.338 -14.823 5.528 353 2HG LYS 42 2HG LYS 42 5.195 -15.449 3.883 354 1HD LYS 42 1HD LYS 42 7.652 -15.528 5.679 355 2HD LYS 42 2HD LYS 42 6.658 -16.892 5.161 356 1HE LYS 42 1HE LYS 42 8.554 -15.218 3.452 357 2HE LYS 42 2HE LYS 42 8.685 -16.926 3.874 358 1HZ LYS 42 1HZ LYS 42 7.896 -16.709 1.684 359 2HZ LYS 42 2HZ LYS 42 6.666 -15.711 2.118 360 3HZ LYS 42 3HZ LYS 42 6.657 -17.294 2.599 361 H THR 43 H THR 43 5.837 -12.292 1.472 362 HA THR 43 HA THR 43 7.372 -9.934 1.550 363 HB THR 43 HB THR 43 5.646 -10.851 -0.767 364 HG1 THR 43 HG1 THR 43 8.127 -11.931 0.046 365 1HG2 THR 43 1HG2 THR 43 7.588 -10.124 -2.122 366 2HG2 THR 43 2HG2 THR 43 6.937 -8.793 -1.148 367 3HG2 THR 43 3HG2 THR 43 8.431 -9.613 -0.645 368 H ILE 44 H ILE 44 3.865 -10.443 0.830 369 HA ILE 44 HA ILE 44 3.267 -7.699 0.395 370 HB ILE 44 HB ILE 44 1.404 -9.844 1.504 371 1HG1 ILE 44 1HG1 ILE 44 2.107 -10.696 -0.592 372 2HG1 ILE 44 2HG1 ILE 44 0.568 -9.920 -0.886 373 1HG2 ILE 44 1HG2 ILE 44 -0.302 -8.233 0.381 374 2HG2 ILE 44 2HG2 ILE 44 1.000 -7.039 0.438 375 3HG2 ILE 44 3HG2 ILE 44 0.395 -7.766 1.932 376 1HD1 ILE 44 1HD1 ILE 44 3.336 -8.887 -1.615 377 2HD1 ILE 44 2HD1 ILE 44 1.876 -7.883 -1.707 378 3HD1 ILE 44 3HD1 ILE 44 2.007 -9.357 -2.688 379 H GLN 45 H GLN 45 2.992 -9.625 3.438 380 HA GLN 45 HA GLN 45 2.163 -7.471 5.078 381 1HB GLN 45 1HB GLN 45 3.735 -9.990 5.661 382 2HB GLN 45 2HB GLN 45 3.229 -8.859 6.927 383 1HG GLN 45 1HG GLN 45 0.903 -9.142 6.443 384 2HG GLN 45 2HG GLN 45 1.215 -10.019 4.944 385 1HE2 GLN 45 1HE2 GLN 45 2.459 -12.063 5.147 386 2HE2 GLN 45 2HE2 GLN 45 2.107 -13.105 6.537 387 H THR 46 H THR 46 5.461 -8.446 4.082 388 HA THR 46 HA THR 46 6.821 -6.525 5.681 389 HB THR 46 HB THR 46 7.707 -7.629 2.983 390 HG1 THR 46 HG1 THR 46 7.162 -9.275 4.494 391 1HG2 THR 46 1HG2 THR 46 9.266 -6.549 5.369 392 2HG2 THR 46 2HG2 THR 46 9.968 -7.319 3.933 393 3HG2 THR 46 3HG2 THR 46 9.121 -5.771 3.777 394 H MET 47 H MET 47 5.611 -6.296 2.268 395 HA MET 47 HA MET 47 6.470 -3.615 1.818 396 1HB MET 47 1HB MET 47 4.174 -5.225 0.632 397 2HB MET 47 2HB MET 47 4.621 -3.600 0.092 398 1HG MET 47 1HG MET 47 6.887 -4.346 -0.438 399 2HG MET 47 2HG MET 47 6.506 -5.988 0.095 400 1HE MET 47 1HE MET 47 7.763 -4.916 -2.721 401 2HE MET 47 2HE MET 47 7.647 -6.634 -2.262 402 3HE MET 47 3HE MET 47 7.006 -6.081 -3.825 403 H LEU 48 H LEU 48 3.350 -4.865 3.076 404 HA LEU 48 HA LEU 48 2.095 -2.343 3.457 405 1HB LEU 48 1HB LEU 48 1.855 -4.945 5.019 406 2HB LEU 48 2HB LEU 48 0.783 -3.565 5.254 407 HG LEU 48 HG LEU 48 1.100 -4.953 2.553 408 1HD1 LEU 48 1HD1 LEU 48 -1.024 -6.106 3.123 409 2HD1 LEU 48 2HD1 LEU 48 0.289 -6.581 4.199 410 3HD1 LEU 48 3HD1 LEU 48 -0.936 -5.436 4.766 411 1HD2 LEU 48 1HD2 LEU 48 -1.017 -3.070 3.681 412 2HD2 LEU 48 2HD2 LEU 48 -1.105 -3.893 2.112 413 3HD2 LEU 48 3HD2 LEU 48 0.149 -2.686 2.398 414 H LEU 49 H LEU 49 4.087 -4.289 5.746 415 HA LEU 49 HA LEU 49 4.065 -2.496 7.877 416 1HB LEU 49 1HB LEU 49 4.869 -4.789 7.967 417 2HB LEU 49 2HB LEU 49 6.273 -4.397 6.984 418 HG LEU 49 HG LEU 49 6.630 -4.700 9.439 419 1HD1 LEU 49 1HD1 LEU 49 8.307 -3.026 9.682 420 2HD1 LEU 49 2HD1 LEU 49 8.270 -3.527 7.983 421 3HD1 LEU 49 3HD1 LEU 49 7.557 -1.977 8.476 422 1HD2 LEU 49 1HD2 LEU 49 4.611 -3.486 10.238 423 2HD2 LEU 49 2HD2 LEU 49 5.367 -1.949 9.759 424 3HD2 LEU 49 3HD2 LEU 49 6.111 -2.949 11.015 425 H ARG 50 H ARG 50 6.376 -2.598 5.084 426 HA ARG 50 HA ARG 50 8.008 -0.450 5.825 427 1HB ARG 50 1HB ARG 50 7.197 -1.609 3.197 428 2HB ARG 50 2HB ARG 50 8.103 -0.104 3.225 429 1HG ARG 50 1HG ARG 50 10.025 -1.040 4.041 430 2HG ARG 50 2HG ARG 50 9.149 -2.238 5.021 431 1HD ARG 50 1HD ARG 50 10.314 -3.380 3.173 432 2HD ARG 50 2HD ARG 50 8.552 -3.505 3.171 433 HE ARG 50 HE ARG 50 8.421 -2.394 1.158 434 1HH1 ARG 50 1HH1 ARG 50 11.656 -1.812 2.504 435 2HH1 ARG 50 2HH1 ARG 50 12.296 -1.231 0.970 436 1HH2 ARG 50 1HH2 ARG 50 9.332 -1.675 -0.829 437 2HH2 ARG 50 2HH2 ARG 50 10.981 -1.093 -0.889 438 H LEU 51 H LEU 51 5.078 -0.362 3.731 439 HA LEU 51 HA LEU 51 5.054 2.481 3.503 440 1HB LEU 51 1HB LEU 51 2.843 0.437 3.144 441 2HB LEU 51 2HB LEU 51 2.689 2.151 2.729 442 HG LEU 51 HG LEU 51 4.728 0.233 1.506 443 1HD1 LEU 51 1HD1 LEU 51 2.236 1.523 0.317 444 2HD1 LEU 51 2HD1 LEU 51 2.392 -0.187 0.784 445 3HD1 LEU 51 3HD1 LEU 51 3.387 0.471 -0.529 446 1HD2 LEU 51 1HD2 LEU 51 4.117 3.172 0.947 447 2HD2 LEU 51 2HD2 LEU 51 5.682 2.486 1.452 448 3HD2 LEU 51 3HD2 LEU 51 5.041 2.113 -0.136 449 H ILE 52 H ILE 52 3.477 0.412 5.947 450 HA ILE 52 HA ILE 52 2.057 2.564 7.193 451 HB ILE 52 HB ILE 52 3.002 -0.140 8.199 452 1HG1 ILE 52 1HG1 ILE 52 0.224 0.908 7.476 453 2HG1 ILE 52 2HG1 ILE 52 1.238 0.058 6.330 454 1HG2 ILE 52 1HG2 ILE 52 2.759 1.362 10.147 455 2HG2 ILE 52 2HG2 ILE 52 1.428 0.215 10.107 456 3HG2 ILE 52 3HG2 ILE 52 1.165 1.885 9.562 457 1HD1 ILE 52 1HD1 ILE 52 1.323 -1.917 7.877 458 2HD1 ILE 52 2HD1 ILE 52 0.099 -1.112 8.889 459 3HD1 ILE 52 3HD1 ILE 52 -0.276 -1.537 7.213 460 H LYS 53 H LYS 53 5.313 1.120 7.858 461 HA LYS 53 HA LYS 53 5.989 2.859 9.991 462 1HB LYS 53 1HB LYS 53 7.192 0.766 9.288 463 2HB LYS 53 2HB LYS 53 7.886 1.666 7.926 464 1HG LYS 53 1HG LYS 53 8.831 3.317 9.625 465 2HG LYS 53 2HG LYS 53 8.263 2.248 10.904 466 1HD LYS 53 1HD LYS 53 10.320 1.642 8.723 467 2HD LYS 53 2HD LYS 53 10.650 1.906 10.437 468 1HE LYS 53 1HE LYS 53 9.182 -0.458 9.195 469 2HE LYS 53 2HE LYS 53 10.777 -0.469 9.949 470 1HZ LYS 53 1HZ LYS 53 8.245 0.083 11.325 471 2HZ LYS 53 2HZ LYS 53 9.737 0.108 12.027 472 3HZ LYS 53 3HZ LYS 53 9.128 -1.303 11.429 473 H LYS 54 H LYS 54 6.291 3.210 6.475 474 HA LYS 54 HA LYS 54 7.630 5.743 6.451 475 1HB LYS 54 1HB LYS 54 7.490 3.954 4.661 476 2HB LYS 54 2HB LYS 54 5.817 4.458 4.382 477 1HG LYS 54 1HG LYS 54 6.682 6.720 3.693 478 2HG LYS 54 2HG LYS 54 8.333 6.094 3.904 479 1HD LYS 54 1HD LYS 54 7.771 4.232 2.274 480 2HD LYS 54 2HD LYS 54 6.160 4.934 2.085 481 1HE LYS 54 1HE LYS 54 7.431 5.623 0.206 482 2HE LYS 54 2HE LYS 54 7.243 7.057 1.225 483 1HZ LYS 54 1HZ LYS 54 9.611 5.311 1.127 484 2HZ LYS 54 2HZ LYS 54 9.468 6.698 2.013 485 3HZ LYS 54 3HZ LYS 54 9.441 6.760 0.359 486 H GLY 55 H GLY 55 4.399 4.938 7.376 487 1HA GLY 55 1HA GLY 55 2.619 6.207 7.933 488 2HA GLY 55 2HA GLY 55 3.578 7.666 7.634 489 H ALA 56 H ALA 56 3.414 5.403 5.006 490 HA ALA 56 HA ALA 56 2.083 7.367 3.297 491 1HB ALA 56 1HB ALA 56 3.114 4.547 2.796 492 2HB ALA 56 2HB ALA 56 3.962 6.072 2.448 493 3HB ALA 56 3HB ALA 56 2.489 5.643 1.551 494 H LEU 57 H LEU 57 1.232 4.474 5.088 495 HA LEU 57 HA LEU 57 -1.590 4.730 4.256 496 1HB LEU 57 1HB LEU 57 -0.167 2.078 4.604 497 2HB LEU 57 2HB LEU 57 -1.842 2.317 4.110 498 HG LEU 57 HG LEU 57 0.611 3.014 2.419 499 1HD1 LEU 57 1HD1 LEU 57 0.418 0.619 2.890 500 2HD1 LEU 57 2HD1 LEU 57 -0.009 0.947 1.201 501 3HD1 LEU 57 3HD1 LEU 57 -1.286 0.641 2.405 502 1HD2 LEU 57 1HD2 LEU 57 -1.112 2.903 0.523 503 2HD2 LEU 57 2HD2 LEU 57 -1.169 4.332 1.529 504 3HD2 LEU 57 3HD2 LEU 57 -2.364 3.024 1.763 505 H ASN 58 H ASN 58 -2.992 3.721 5.893 506 HA ASN 58 HA ASN 58 -1.773 3.228 8.546 507 1HB ASN 58 1HB ASN 58 -2.403 5.607 8.523 508 2HB ASN 58 2HB ASN 58 -4.014 5.207 7.920 509 1HD2 ASN 58 1HD2 ASN 58 -1.946 3.863 10.618 510 2HD2 ASN 58 2HD2 ASN 58 -3.226 4.033 11.807 511 H HIS 59 H HIS 59 -3.329 1.973 9.928 512 HA HIS 59 HA HIS 59 -4.999 0.181 8.215 513 1HB HIS 59 1HB HIS 59 -3.227 -1.033 8.864 514 2HB HIS 59 2HB HIS 59 -3.079 -0.310 10.477 515 HD2 HIS 59 HD2 HIS 59 -3.412 -3.608 9.475 516 HE1 HIS 59 HE1 HIS 59 -6.284 -3.315 12.565 517 HE2 HIS 59 HE2 HIS 59 -4.882 -4.943 11.178 518 H HIS 60 H HIS 60 -6.956 -0.368 8.844 519 HA HIS 60 HA HIS 60 -8.063 0.573 11.457 520 1HB HIS 60 1HB HIS 60 -9.200 1.234 8.709 521 2HB HIS 60 2HB HIS 60 -10.151 1.296 10.199 522 HD2 HIS 60 HD2 HIS 60 -6.995 3.102 8.676 523 HE1 HIS 60 HE1 HIS 60 -8.480 5.399 11.900 524 HE2 HIS 60 HE2 HIS 60 -6.664 5.260 10.095 525 H LYS 61 H LYS 61 -9.267 -1.011 12.400 526 HA LYS 61 HA LYS 61 -9.757 -3.488 10.900 527 1HB LYS 61 1HB LYS 61 -8.815 -3.599 13.147 528 2HB LYS 61 2HB LYS 61 -10.299 -2.886 13.810 529 1HG LYS 61 1HG LYS 61 -11.623 -4.784 12.965 530 2HG LYS 61 2HG LYS 61 -10.203 -5.441 12.127 531 1HD LYS 61 1HD LYS 61 -9.079 -5.819 14.302 532 2HD LYS 61 2HD LYS 61 -10.450 -5.077 15.144 533 1HE LYS 61 1HE LYS 61 -10.616 -7.510 15.272 534 2HE LYS 61 2HE LYS 61 -11.958 -6.866 14.316 535 1HZ LYS 61 1HZ LYS 61 -9.497 -8.042 13.214 536 2HZ LYS 61 2HZ LYS 61 -10.948 -8.807 13.339 537 3HZ LYS 61 3HZ LYS 61 -10.792 -7.520 12.336 538 H GLU 62 H GLU 62 -11.474 -3.316 9.488 539 HA GLU 62 HA GLU 62 -13.830 -1.729 10.326 540 1HB GLU 62 1HB GLU 62 -13.183 -3.163 7.747 541 2HB GLU 62 2HB GLU 62 -14.682 -2.286 8.066 542 1HG GLU 62 1HG GLU 62 -11.922 -1.042 8.336 543 2HG GLU 62 2HG GLU 62 -12.926 -0.914 6.873 544 H GLY 63 H GLY 63 -14.135 -3.135 12.151 545 1HA GLY 63 1HA GLY 63 -15.611 -4.524 13.244 546 2HA GLY 63 2HA GLY 63 -16.320 -4.985 11.693 547 H ARG 64 H ARG 64 -14.618 -6.321 10.323 548 HA ARG 64 HA ARG 64 -13.390 -8.465 12.021 549 1HB ARG 64 1HB ARG 64 -15.143 -8.846 9.588 550 2HB ARG 64 2HB ARG 64 -14.290 -10.134 10.444 551 1HG ARG 64 1HG ARG 64 -16.461 -8.367 11.683 552 2HG ARG 64 2HG ARG 64 -16.717 -9.973 11.008 553 1HD ARG 64 1HD ARG 64 -15.220 -10.985 12.644 554 2HD ARG 64 2HD ARG 64 -14.837 -9.424 13.359 555 HE ARG 64 HE ARG 64 -17.292 -10.993 13.643 556 1HH1 ARG 64 1HH1 ARG 64 -15.782 -7.799 14.165 557 2HH1 ARG 64 2HH1 ARG 64 -16.953 -7.323 15.358 558 1HH2 ARG 64 1HH2 ARG 64 -18.800 -10.336 15.193 559 2HH2 ARG 64 2HH2 ARG 64 -18.689 -8.771 15.948 560 H VAL 65 H VAL 65 -13.410 -6.771 8.831 561 HA VAL 65 HA VAL 65 -10.797 -8.084 8.229 562 HB VAL 65 HB VAL 65 -11.191 -7.163 5.967 563 1HG1 VAL 65 1HG1 VAL 65 -13.323 -9.096 6.929 564 2HG1 VAL 65 2HG1 VAL 65 -11.646 -9.510 6.492 565 3HG1 VAL 65 3HG1 VAL 65 -12.755 -8.889 5.257 566 1HG2 VAL 65 1HG2 VAL 65 -14.054 -6.624 6.881 567 2HG2 VAL 65 2HG2 VAL 65 -12.865 -5.390 6.408 568 3HG2 VAL 65 3HG2 VAL 65 -13.445 -6.558 5.223 569 H PHE 66 H PHE 66 -8.962 -6.833 8.238 570 HA PHE 66 HA PHE 66 -9.363 -3.985 8.917 571 1HB PHE 66 1HB PHE 66 -6.998 -3.969 9.456 572 2HB PHE 66 2HB PHE 66 -8.020 -4.891 10.534 573 HD1 PHE 66 HD1 PHE 66 -5.119 -5.146 8.340 574 HD2 PHE 66 HD2 PHE 66 -8.082 -7.360 10.561 575 HE1 PHE 66 HE1 PHE 66 -3.590 -7.096 8.457 576 HE2 PHE 66 HE2 PHE 66 -6.596 -9.344 10.561 577 HZ PHE 66 HZ PHE 66 -4.339 -9.208 9.525 578 H VAL 67 H VAL 67 -8.981 -2.393 7.649 579 HA VAL 67 HA VAL 67 -8.094 -2.939 4.971 580 HB VAL 67 HB VAL 67 -9.624 -1.355 4.261 581 1HG1 VAL 67 1HG1 VAL 67 -11.107 -2.737 6.522 582 2HG1 VAL 67 2HG1 VAL 67 -10.697 -3.486 4.972 583 3HG1 VAL 67 3HG1 VAL 67 -11.799 -2.109 5.014 584 1HG2 VAL 67 1HG2 VAL 67 -11.010 0.104 5.716 585 2HG2 VAL 67 2HG2 VAL 67 -9.295 0.500 5.744 586 3HG2 VAL 67 3HG2 VAL 67 -10.012 -0.400 7.099 587 H TYR 68 H TYR 68 -6.738 -1.576 3.881 588 HA TYR 68 HA TYR 68 -5.086 0.185 5.643 589 1HB TYR 68 1HB TYR 68 -4.600 -0.775 2.804 590 2HB TYR 68 2HB TYR 68 -3.493 0.178 3.794 591 HD1 TYR 68 HD1 TYR 68 -4.552 -3.149 2.926 592 HD2 TYR 68 HD2 TYR 68 -2.792 -0.810 6.091 593 HE1 TYR 68 HE1 TYR 68 -3.957 -5.215 4.145 594 HE2 TYR 68 HE2 TYR 68 -2.298 -2.900 7.354 595 HH TYR 68 HH TYR 68 -3.728 -5.954 6.343 596 H THR 69 H THR 69 -5.541 2.280 5.653 597 HA THR 69 HA THR 69 -7.079 3.575 3.478 598 HB THR 69 HB THR 69 -7.257 5.387 5.217 599 HG1 THR 69 HG1 THR 69 -5.296 4.488 6.312 600 1HG2 THR 69 1HG2 THR 69 -9.052 3.666 5.039 601 2HG2 THR 69 2HG2 THR 69 -8.172 2.637 6.191 602 3HG2 THR 69 3HG2 THR 69 -8.815 4.205 6.710 603 HA PRO 70 HA PRO 70 -2.894 5.096 2.540 604 1HB PRO 70 1HB PRO 70 -3.397 6.674 0.367 605 2HB PRO 70 2HB PRO 70 -3.405 4.888 0.277 606 1HG PRO 70 1HG PRO 70 -5.742 6.727 0.665 607 2HG PRO 70 2HG PRO 70 -5.639 5.381 -0.514 608 1HD PRO 70 1HD PRO 70 -6.909 5.124 1.861 609 2HD PRO 70 2HD PRO 70 -5.938 3.767 1.212 610 H ASN 71 H ASN 71 -1.705 7.143 2.925 611 HA ASN 71 HA ASN 71 -3.172 9.524 3.511 612 1HB ASN 71 1HB ASN 71 -3.737 9.016 5.432 613 2HB ASN 71 2HB ASN 71 -2.533 7.729 5.738 614 1HD2 ASN 71 1HD2 ASN 71 -0.088 8.791 6.011 615 2HD2 ASN 71 2HD2 ASN 71 -0.127 10.146 7.120 616 H ILE 72 H ILE 72 -2.024 10.876 2.725 617 HA ILE 72 HA ILE 72 0.833 11.211 3.240 618 HB ILE 72 HB ILE 72 0.391 11.530 0.374 619 1HG1 ILE 72 1HG1 ILE 72 0.206 9.320 -0.370 620 2HG1 ILE 72 2HG1 ILE 72 -0.023 8.637 1.225 621 1HG2 ILE 72 1HG2 ILE 72 2.532 11.403 1.615 622 2HG2 ILE 72 2HG2 ILE 72 2.204 9.691 1.964 623 3HG2 ILE 72 3HG2 ILE 72 2.419 10.256 0.294 624 1HD1 ILE 72 1HD1 ILE 72 -2.307 9.248 1.181 625 2HD1 ILE 72 2HD1 ILE 72 -1.987 10.730 0.267 626 3HD1 ILE 72 3HD1 ILE 72 -2.012 9.146 -0.540 627 H ASP 73 H ASP 73 1.742 13.249 2.366 628 HA ASP 73 HA ASP 73 -0.043 15.264 1.356 629 1HB ASP 73 1HB ASP 73 -0.346 15.236 3.873 630 2HB ASP 73 2HB ASP 73 1.358 15.664 4.045 631 H GLU 74 H GLU 74 1.287 17.266 1.018 632 HA GLU 74 HA GLU 74 2.926 18.333 -0.054 633 1HB GLU 74 1HB GLU 74 4.671 16.915 2.001 634 2HB GLU 74 2HB GLU 74 5.087 18.384 1.110 635 1HG GLU 74 1HG GLU 74 2.786 18.094 3.099 636 2HG GLU 74 2HG GLU 74 4.317 18.912 3.373 637 H SER 75 H SER 75 4.646 15.206 0.485 638 HA SER 75 HA SER 75 6.676 15.270 -1.186 639 1HB SER 75 1HB SER 75 4.711 13.036 -0.656 640 2HB SER 75 2HB SER 75 6.286 12.814 -1.449 641 HG SER 75 HG SER 75 6.470 12.527 0.789 642 H ASP 76 H ASP 76 4.205 13.343 -2.679 643 HA ASP 76 HA ASP 76 3.215 13.494 -4.758 644 1HB ASP 76 1HB ASP 76 4.137 15.733 -5.378 645 2HB ASP 76 2HB ASP 76 5.697 14.959 -5.766 646 H TYR 77 H TYR 77 3.753 11.873 -6.492 647 HA TYR 77 HA TYR 77 5.487 9.912 -5.220 648 1HB TYR 77 1HB TYR 77 3.653 8.843 -5.799 649 2HB TYR 77 2HB TYR 77 3.391 9.605 -7.343 650 HD1 TYR 77 HD1 TYR 77 3.716 8.104 -9.168 651 HD2 TYR 77 HD2 TYR 77 6.244 7.816 -5.704 652 HE1 TYR 77 HE1 TYR 77 5.084 6.366 -10.289 653 HE2 TYR 77 HE2 TYR 77 7.510 5.995 -6.753 654 HH TYR 77 HH TYR 77 7.712 4.654 -8.594 655 H ILE 78 H ILE 78 7.420 10.954 -5.337 656 HA ILE 78 HA ILE 78 8.872 10.936 -7.906 657 HB ILE 78 HB ILE 78 9.911 11.114 -5.047 658 1HG1 ILE 78 1HG1 ILE 78 8.354 12.976 -5.511 659 2HG1 ILE 78 2HG1 ILE 78 10.016 13.507 -5.280 660 1HG2 ILE 78 1HG2 ILE 78 11.221 11.700 -7.731 661 2HG2 ILE 78 2HG2 ILE 78 11.885 12.216 -6.166 662 3HG2 ILE 78 3HG2 ILE 78 11.702 10.492 -6.526 663 1HD1 ILE 78 1HD1 ILE 78 8.923 14.711 -7.117 664 2HD1 ILE 78 2HD1 ILE 78 10.304 13.784 -7.716 665 3HD1 ILE 78 3HD1 ILE 78 8.646 13.194 -7.988 666 H GLU 79 H GLU 79 10.172 9.226 -8.642 667 HA GLU 79 HA GLU 79 9.661 6.606 -7.442 668 1HB GLU 79 1HB GLU 79 9.660 7.150 -9.927 669 2HB GLU 79 2HB GLU 79 11.424 7.208 -9.834 670 1HG GLU 79 1HG GLU 79 9.636 4.844 -9.171 671 2HG GLU 79 2HG GLU 79 10.612 5.032 -10.624 672 H VAL 80 H VAL 80 10.804 6.353 -5.546 673 HA VAL 80 HA VAL 80 13.785 6.589 -5.681 674 HB VAL 80 HB VAL 80 13.085 8.289 -4.205 675 1HG1 VAL 80 1HG1 VAL 80 10.814 7.555 -3.634 676 2HG1 VAL 80 2HG1 VAL 80 11.760 7.975 -2.198 677 3HG1 VAL 80 3HG1 VAL 80 11.463 6.279 -2.582 678 1HG2 VAL 80 1HG2 VAL 80 15.056 6.921 -3.568 679 2HG2 VAL 80 2HG2 VAL 80 14.234 7.633 -2.168 680 3HG2 VAL 80 3HG2 VAL 80 14.015 5.914 -2.537 681 H LYS 81 H LYS 81 14.426 4.524 -6.096 682 HA LYS 81 HA LYS 81 12.864 2.241 -5.351 683 1HB LYS 81 1HB LYS 81 15.806 2.429 -6.108 684 2HB LYS 81 2HB LYS 81 14.866 0.939 -5.910 685 1HG LYS 81 1HG LYS 81 13.248 1.810 -7.673 686 2HG LYS 81 2HG LYS 81 14.351 3.168 -7.924 687 1HD LYS 81 1HD LYS 81 14.792 1.583 -9.635 688 2HD LYS 81 2HD LYS 81 16.169 1.529 -8.523 689 1HE LYS 81 1HE LYS 81 15.290 -0.552 -7.506 690 2HE LYS 81 2HE LYS 81 13.810 -0.428 -8.475 691 1HZ LYS 81 1HZ LYS 81 16.524 -0.806 -9.525 692 2HZ LYS 81 2HZ LYS 81 15.361 -1.967 -9.396 693 3HZ LYS 81 3HZ LYS 81 15.149 -0.701 -10.428 694 H SER 82 H SER 82 12.725 1.181 -3.421 695 HA SER 82 HA SER 82 14.824 1.060 -1.464 696 1HB SER 82 1HB SER 82 12.355 2.781 -0.945 697 2HB SER 82 2HB SER 82 13.376 2.106 0.335 698 HG SER 82 HG SER 82 14.686 3.524 -1.672 Start of MODEL 18 1 1H MET 1 1H MET 1 3.579 14.131 0.356 2 2H MET 1 2H MET 1 2.349 14.565 -0.707 3 3H MET 1 3H MET 1 3.742 15.479 -0.531 4 HA MET 1 HA MET 1 1.967 16.568 0.554 5 1HB MET 1 1HB MET 1 1.132 15.599 2.680 6 2HB MET 1 2HB MET 1 0.648 14.683 1.259 7 1HG MET 1 1HG MET 1 2.305 12.953 1.706 8 2HG MET 1 2HG MET 1 2.946 13.873 3.076 9 1HE MET 1 1HE MET 1 1.376 10.812 4.820 10 2HE MET 1 2HE MET 1 2.802 11.869 4.722 11 3HE MET 1 3HE MET 1 2.312 10.898 3.310 12 H LYS 2 H LYS 2 2.829 16.275 3.595 13 HA LYS 2 HA LYS 2 5.148 17.919 3.493 14 1HB LYS 2 1HB LYS 2 4.183 15.977 5.652 15 2HB LYS 2 2HB LYS 2 5.485 17.162 5.854 16 1HG LYS 2 1HG LYS 2 3.907 19.005 5.347 17 2HG LYS 2 2HG LYS 2 2.580 17.838 5.185 18 1HD LYS 2 1HD LYS 2 2.932 17.107 7.535 19 2HD LYS 2 2HD LYS 2 4.262 18.272 7.696 20 1HE LYS 2 1HE LYS 2 2.685 20.142 7.242 21 2HE LYS 2 2HE LYS 2 1.352 18.981 7.080 22 1HZ LYS 2 1HZ LYS 2 1.722 18.339 9.349 23 2HZ LYS 2 2HZ LYS 2 1.423 19.956 9.243 24 3HZ LYS 2 3HZ LYS 2 2.959 19.418 9.498 25 H LYS 3 H LYS 3 4.744 14.413 3.924 26 HA LYS 3 HA LYS 3 7.555 13.893 3.150 27 1HB LYS 3 1HB LYS 3 6.435 12.763 5.129 28 2HB LYS 3 2HB LYS 3 5.401 11.895 3.980 29 1HG LYS 3 1HG LYS 3 7.360 10.802 2.991 30 2HG LYS 3 2HG LYS 3 8.456 11.861 3.911 31 1HD LYS 3 1HD LYS 3 7.552 10.899 6.040 32 2HD LYS 3 2HD LYS 3 6.574 9.769 5.082 33 1HE LYS 3 1HE LYS 3 8.640 8.827 4.081 34 2HE LYS 3 2HE LYS 3 9.622 10.007 4.967 35 1HZ LYS 3 1HZ LYS 3 8.826 9.048 7.011 36 2HZ LYS 3 2HZ LYS 3 7.988 7.889 6.192 37 3HZ LYS 3 3HZ LYS 3 9.623 7.945 6.088 38 H ILE 4 H ILE 4 7.964 12.674 1.216 39 HA ILE 4 HA ILE 4 5.728 12.541 -0.780 40 HB ILE 4 HB ILE 4 8.585 13.447 -1.219 41 1HG1 ILE 4 1HG1 ILE 4 5.949 14.993 -1.235 42 2HG1 ILE 4 2HG1 ILE 4 7.244 15.158 -0.041 43 1HG2 ILE 4 1HG2 ILE 4 7.566 12.162 -3.130 44 2HG2 ILE 4 2HG2 ILE 4 7.832 13.852 -3.527 45 3HG2 ILE 4 3HG2 ILE 4 6.198 13.289 -3.116 46 1HD1 ILE 4 1HD1 ILE 4 8.790 15.912 -1.856 47 2HD1 ILE 4 2HD1 ILE 4 7.392 15.960 -2.961 48 3HD1 ILE 4 3HD1 ILE 4 7.423 16.993 -1.528 49 HA PRO 5 HA PRO 5 7.410 8.339 -0.155 50 1HB PRO 5 1HB PRO 5 4.962 7.817 -1.859 51 2HB PRO 5 2HB PRO 5 5.588 6.850 -0.488 52 1HG PRO 5 1HG PRO 5 3.498 8.509 -0.203 53 2HG PRO 5 2HG PRO 5 4.774 8.547 1.042 54 1HD PRO 5 1HD PRO 5 4.403 10.448 -1.290 55 2HD PRO 5 2HD PRO 5 4.791 10.811 0.419 56 H GLN 6 H GLN 6 9.208 7.953 -1.413 57 HA GLN 6 HA GLN 6 9.239 8.431 -4.293 58 1HB GLN 6 1HB GLN 6 11.161 8.867 -2.777 59 2HB GLN 6 2HB GLN 6 11.325 7.125 -2.500 60 1HG GLN 6 1HG GLN 6 11.763 6.784 -4.914 61 2HG GLN 6 2HG GLN 6 11.499 8.507 -5.226 62 1HE2 GLN 6 1HE2 GLN 6 13.128 10.062 -4.592 63 2HE2 GLN 6 2HE2 GLN 6 14.713 9.541 -4.039 64 H ILE 7 H ILE 7 7.356 7.068 -4.581 65 HA ILE 7 HA ILE 7 7.427 4.230 -4.116 66 HB ILE 7 HB ILE 7 5.612 6.202 -5.485 67 1HG1 ILE 7 1HG1 ILE 7 5.730 6.116 -3.032 68 2HG1 ILE 7 2HG1 ILE 7 4.120 5.896 -3.729 69 1HG2 ILE 7 1HG2 ILE 7 5.183 3.200 -5.513 70 2HG2 ILE 7 2HG2 ILE 7 3.890 4.393 -5.769 71 3HG2 ILE 7 3HG2 ILE 7 5.264 4.342 -6.864 72 1HD1 ILE 7 1HD1 ILE 7 5.904 3.698 -2.603 73 2HD1 ILE 7 2HD1 ILE 7 4.297 3.455 -3.331 74 3HD1 ILE 7 3HD1 ILE 7 4.467 4.422 -1.854 75 H SER 8 H SER 8 8.444 2.723 -5.258 76 HA SER 8 HA SER 8 9.246 3.163 -8.050 77 1HB SER 8 1HB SER 8 10.692 1.949 -6.456 78 2HB SER 8 2HB SER 8 9.455 0.682 -6.293 79 HG SER 8 HG SER 8 11.162 0.280 -7.889 80 H ASP 9 H ASP 9 8.813 0.973 -9.378 81 HA ASP 9 HA ASP 9 6.105 1.213 -10.273 82 1HB ASP 9 1HB ASP 9 7.843 0.574 -11.798 83 2HB ASP 9 2HB ASP 9 8.198 -0.905 -10.887 84 H ALA 10 H ALA 10 7.661 -1.678 -8.796 85 HA ALA 10 HA ALA 10 5.382 -3.240 -8.502 86 1HB ALA 10 1HB ALA 10 7.671 -4.061 -8.113 87 2HB ALA 10 2HB ALA 10 6.621 -4.439 -6.735 88 3HB ALA 10 3HB ALA 10 7.782 -3.099 -6.621 89 H GLU 11 H GLU 11 6.668 -0.812 -6.249 90 HA GLU 11 HA GLU 11 4.748 -1.102 -4.153 91 1HB GLU 11 1HB GLU 11 6.446 1.224 -5.147 92 2HB GLU 11 2HB GLU 11 5.394 1.339 -3.747 93 1HG GLU 11 1HG GLU 11 6.625 -0.512 -2.644 94 2HG GLU 11 2HG GLU 11 7.680 -0.664 -4.060 95 H LEU 12 H LEU 12 4.876 1.172 -6.958 96 HA LEU 12 HA LEU 12 2.505 2.500 -6.424 97 1HB LEU 12 1HB LEU 12 4.168 3.194 -8.157 98 2HB LEU 12 2HB LEU 12 3.719 1.841 -9.121 99 HG LEU 12 HG LEU 12 1.362 2.815 -9.264 100 1HD1 LEU 12 1HD1 LEU 12 2.724 5.179 -7.888 101 2HD1 LEU 12 2HD1 LEU 12 1.110 5.212 -8.625 102 3HD1 LEU 12 3HD1 LEU 12 1.410 4.211 -7.197 103 1HD2 LEU 12 1HD2 LEU 12 2.043 4.645 -10.822 104 2HD2 LEU 12 2HD2 LEU 12 3.713 4.468 -10.233 105 3HD2 LEU 12 3HD2 LEU 12 2.922 3.125 -11.075 106 H GLU 13 H GLU 13 2.940 -0.610 -8.213 107 HA GLU 13 HA GLU 13 0.273 -0.900 -9.062 108 1HB GLU 13 1HB GLU 13 2.156 -3.039 -7.987 109 2HB GLU 13 2HB GLU 13 0.684 -3.353 -8.909 110 1HG GLU 13 1HG GLU 13 3.093 -1.804 -9.979 111 2HG GLU 13 2HG GLU 13 2.708 -3.479 -10.326 112 H VAL 14 H VAL 14 1.667 -1.711 -5.818 113 HA VAL 14 HA VAL 14 -0.850 -2.794 -4.913 114 HB VAL 14 HB VAL 14 0.075 -3.309 -2.979 115 1HG1 VAL 14 1HG1 VAL 14 2.702 -2.694 -4.340 116 2HG1 VAL 14 2HG1 VAL 14 2.329 -4.003 -3.201 117 3HG1 VAL 14 3HG1 VAL 14 1.650 -4.031 -4.840 118 1HG2 VAL 14 1HG2 VAL 14 1.815 -0.826 -2.875 119 2HG2 VAL 14 2HG2 VAL 14 0.321 -1.115 -1.963 120 3HG2 VAL 14 3HG2 VAL 14 1.740 -2.116 -1.668 121 H MET 15 H MET 15 0.713 0.437 -4.601 122 HA MET 15 HA MET 15 -1.244 1.643 -2.984 123 1HB MET 15 1HB MET 15 0.381 2.802 -5.281 124 2HB MET 15 2HB MET 15 -0.442 3.726 -4.030 125 1HG MET 15 1HG MET 15 1.710 1.660 -3.398 126 2HG MET 15 2HG MET 15 2.025 3.319 -3.760 127 1HE MET 15 1HE MET 15 0.688 5.241 -2.310 128 2HE MET 15 2HE MET 15 -0.853 4.418 -1.929 129 3HE MET 15 3HE MET 15 0.178 5.014 -0.621 130 H LYS 16 H LYS 16 -1.077 1.500 -6.569 131 HA LYS 16 HA LYS 16 -3.603 2.776 -7.074 132 1HB LYS 16 1HB LYS 16 -1.882 0.917 -8.731 133 2HB LYS 16 2HB LYS 16 -3.382 1.687 -9.292 134 1HG LYS 16 1HG LYS 16 -2.393 3.936 -8.730 135 2HG LYS 16 2HG LYS 16 -0.900 3.126 -8.272 136 1HD LYS 16 1HD LYS 16 -0.614 3.970 -10.502 137 2HD LYS 16 2HD LYS 16 -0.696 2.207 -10.593 138 1HE LYS 16 1HE LYS 16 -1.961 3.292 -12.412 139 2HE LYS 16 2HE LYS 16 -3.037 2.336 -11.395 140 1HZ LYS 16 1HZ LYS 16 -3.697 4.379 -10.301 141 2HZ LYS 16 2HZ LYS 16 -2.660 5.249 -11.237 142 3HZ LYS 16 3HZ LYS 16 -3.943 4.481 -11.925 143 H VAL 17 H VAL 17 -2.806 -0.739 -6.648 144 HA VAL 17 HA VAL 17 -5.474 -1.587 -7.158 145 HB VAL 17 HB VAL 17 -3.211 -2.747 -5.505 146 1HG1 VAL 17 1HG1 VAL 17 -5.226 -3.591 -4.401 147 2HG1 VAL 17 2HG1 VAL 17 -5.969 -3.932 -5.981 148 3HG1 VAL 17 3HG1 VAL 17 -4.553 -4.858 -5.431 149 1HG2 VAL 17 1HG2 VAL 17 -3.115 -2.726 -8.055 150 2HG2 VAL 17 2HG2 VAL 17 -4.598 -3.687 -8.061 151 3HG2 VAL 17 3HG2 VAL 17 -3.116 -4.349 -7.348 152 H ILE 18 H ILE 18 -3.925 -0.716 -4.006 153 HA ILE 18 HA ILE 18 -6.220 -1.005 -2.395 154 HB ILE 18 HB ILE 18 -3.937 0.993 -2.147 155 1HG1 ILE 18 1HG1 ILE 18 -4.288 -1.517 -0.492 156 2HG1 ILE 18 2HG1 ILE 18 -3.501 -1.621 -2.060 157 1HG2 ILE 18 1HG2 ILE 18 -6.051 0.145 -0.111 158 2HG2 ILE 18 2HG2 ILE 18 -5.878 1.747 -0.821 159 3HG2 ILE 18 3HG2 ILE 18 -4.631 1.136 0.264 160 1HD1 ILE 18 1HD1 ILE 18 -2.626 0.122 0.274 161 2HD1 ILE 18 2HD1 ILE 18 -1.842 0.083 -1.319 162 3HD1 ILE 18 3HD1 ILE 18 -1.850 -1.366 -0.295 163 H TRP 19 H TRP 19 -5.068 1.935 -4.192 164 HA TRP 19 HA TRP 19 -7.067 3.670 -3.432 165 1HB TRP 19 1HB TRP 19 -5.071 3.354 -5.652 166 2HB TRP 19 2HB TRP 19 -6.229 4.580 -5.847 167 HD1 TRP 19 HD1 TRP 19 -6.170 5.565 -2.697 168 HE1 TRP 19 HE1 TRP 19 -4.128 6.930 -1.855 169 HE3 TRP 19 HE3 TRP 19 -2.782 4.561 -6.435 170 HZ2 TRP 19 HZ2 TRP 19 -1.479 7.370 -2.583 171 HZ3 TRP 19 HZ3 TRP 19 -0.527 5.466 -6.336 172 HH2 TRP 19 HH2 TRP 19 0.189 6.881 -4.361 173 H LYS 20 H LYS 20 -7.536 0.933 -5.590 174 HA LYS 20 HA LYS 20 -9.849 2.214 -6.901 175 1HB LYS 20 1HB LYS 20 -9.148 -0.736 -6.696 176 2HB LYS 20 2HB LYS 20 -10.341 -0.002 -7.773 177 1HG LYS 20 1HG LYS 20 -7.346 0.407 -7.846 178 2HG LYS 20 2HG LYS 20 -8.273 -0.583 -8.960 179 1HD LYS 20 1HD LYS 20 -9.420 1.351 -9.878 180 2HD LYS 20 2HD LYS 20 -8.679 2.445 -8.699 181 1HE LYS 20 1HE LYS 20 -7.035 0.825 -10.673 182 2HE LYS 20 2HE LYS 20 -7.607 2.475 -10.977 183 1HZ LYS 20 1HZ LYS 20 -5.921 1.709 -8.698 184 2HZ LYS 20 2HZ LYS 20 -6.426 3.226 -9.079 185 3HZ LYS 20 3HZ LYS 20 -5.391 2.433 -10.084 186 H HIS 21 H HIS 21 -9.211 0.525 -3.904 187 HA HIS 21 HA HIS 21 -12.108 0.073 -3.383 188 1HB HIS 21 1HB HIS 21 -9.593 -0.821 -1.905 189 2HB HIS 21 2HB HIS 21 -11.261 -1.213 -1.472 190 HD2 HIS 21 HD2 HIS 21 -8.535 -2.377 -3.970 191 HE1 HIS 21 HE1 HIS 21 -11.938 -4.857 -4.391 192 HE2 HIS 21 HE2 HIS 21 -9.494 -4.600 -5.033 193 H SER 22 H SER 22 -12.714 0.727 -0.963 194 HA SER 22 HA SER 22 -12.153 3.564 -0.642 195 1HB SER 22 1HB SER 22 -13.414 3.002 1.572 196 2HB SER 22 2HB SER 22 -14.293 2.779 0.044 197 HG SER 22 HG SER 22 -14.480 0.926 1.400 198 H SER 23 H SER 23 -11.529 0.631 1.253 199 HA SER 23 HA SER 23 -8.710 1.408 1.531 200 1HB SER 23 1HB SER 23 -10.475 0.700 3.927 201 2HB SER 23 2HB SER 23 -8.708 0.758 3.983 202 HG SER 23 HG SER 23 -9.806 2.984 2.816 203 H ILE 24 H ILE 24 -8.009 -1.101 2.927 204 HA ILE 24 HA ILE 24 -9.714 -3.156 1.749 205 HB ILE 24 HB ILE 24 -8.324 -2.548 -0.141 206 1HG1 ILE 24 1HG1 ILE 24 -7.401 -5.252 0.842 207 2HG1 ILE 24 2HG1 ILE 24 -9.079 -4.924 0.350 208 1HG2 ILE 24 1HG2 ILE 24 -5.960 -2.837 -0.181 209 2HG2 ILE 24 2HG2 ILE 24 -6.324 -1.752 1.164 210 3HG2 ILE 24 3HG2 ILE 24 -5.913 -3.445 1.492 211 1HD1 ILE 24 1HD1 ILE 24 -8.352 -4.243 -1.878 212 2HD1 ILE 24 2HD1 ILE 24 -6.659 -4.568 -1.462 213 3HD1 ILE 24 3HD1 ILE 24 -7.830 -5.894 -1.513 214 H ASN 25 H ASN 25 -9.466 -5.253 2.744 215 HA ASN 25 HA ASN 25 -8.153 -5.040 5.419 216 1HB ASN 25 1HB ASN 25 -9.827 -7.322 4.364 217 2HB ASN 25 2HB ASN 25 -9.203 -7.054 6.003 218 1HD2 ASN 25 1HD2 ASN 25 -11.410 -5.416 3.609 219 2HD2 ASN 25 2HD2 ASN 25 -12.522 -4.907 4.871 220 H THR 26 H THR 26 -6.537 -6.568 6.146 221 HA THR 26 HA THR 26 -4.505 -6.992 4.450 222 HB THR 26 HB THR 26 -4.556 -9.234 6.337 223 HG1 THR 26 HG1 THR 26 -5.095 -6.674 7.407 224 1HG2 THR 26 1HG2 THR 26 -3.097 -6.583 6.513 225 2HG2 THR 26 2HG2 THR 26 -2.567 -7.905 5.437 226 3HG2 THR 26 3HG2 THR 26 -2.605 -8.136 7.199 227 H ASN 27 H ASN 27 -6.854 -9.617 5.188 228 HA ASN 27 HA ASN 27 -5.725 -11.551 3.500 229 1HB ASN 27 1HB ASN 27 -7.643 -11.763 5.195 230 2HB ASN 27 2HB ASN 27 -8.723 -11.215 3.910 231 1HD2 ASN 27 1HD2 ASN 27 -7.316 -12.745 1.681 232 2HD2 ASN 27 2HD2 ASN 27 -7.693 -14.415 2.059 233 H GLU 28 H GLU 28 -7.847 -8.811 2.702 234 HA GLU 28 HA GLU 28 -8.527 -9.727 0.025 235 1HB GLU 28 1HB GLU 28 -8.726 -7.032 1.407 236 2HB GLU 28 2HB GLU 28 -9.362 -7.362 -0.196 237 1HG GLU 28 1HG GLU 28 -10.879 -9.071 0.783 238 2HG GLU 28 2HG GLU 28 -10.215 -8.718 2.391 239 H VAL 29 H VAL 29 -6.214 -7.379 1.502 240 HA VAL 29 HA VAL 29 -5.164 -6.530 -0.982 241 HB VAL 29 HB VAL 29 -4.849 -5.650 1.564 242 1HG1 VAL 29 1HG1 VAL 29 -2.475 -5.654 2.147 243 2HG1 VAL 29 2HG1 VAL 29 -3.143 -7.276 2.296 244 3HG1 VAL 29 3HG1 VAL 29 -2.122 -6.853 0.904 245 1HG2 VAL 29 1HG2 VAL 29 -4.476 -4.438 -0.630 246 2HG2 VAL 29 2HG2 VAL 29 -2.828 -5.077 -0.627 247 3HG2 VAL 29 3HG2 VAL 29 -3.363 -3.994 0.672 248 H ILE 30 H ILE 30 -3.942 -9.091 1.253 249 HA ILE 30 HA ILE 30 -1.771 -9.800 -0.419 250 HB ILE 30 HB ILE 30 -3.283 -11.559 1.551 251 1HG1 ILE 30 1HG1 ILE 30 -1.009 -9.554 1.736 252 2HG1 ILE 30 2HG1 ILE 30 -2.440 -9.684 2.739 253 1HG2 ILE 30 1HG2 ILE 30 -0.508 -11.892 0.315 254 2HG2 ILE 30 2HG2 ILE 30 -1.925 -12.886 -0.077 255 3HG2 ILE 30 3HG2 ILE 30 -1.246 -12.952 1.537 256 1HD1 ILE 30 1HD1 ILE 30 -0.567 -10.337 4.049 257 2HD1 ILE 30 2HD1 ILE 30 0.000 -11.480 2.828 258 3HD1 ILE 30 3HD1 ILE 30 -1.513 -11.804 3.721 259 H LYS 31 H LYS 31 -5.145 -11.175 -0.417 260 HA LYS 31 HA LYS 31 -4.570 -12.974 -2.560 261 1HB LYS 31 1HB LYS 31 -7.138 -11.654 -1.624 262 2HB LYS 31 2HB LYS 31 -7.108 -12.815 -2.944 263 1HG LYS 31 1HG LYS 31 -6.132 -13.351 -0.102 264 2HG LYS 31 2HG LYS 31 -7.694 -13.846 -0.763 265 1HD LYS 31 1HD LYS 31 -4.930 -14.862 -1.574 266 2HD LYS 31 2HD LYS 31 -6.195 -15.730 -0.711 267 1HE LYS 31 1HE LYS 31 -7.679 -15.522 -2.745 268 2HE LYS 31 2HE LYS 31 -6.305 -14.813 -3.622 269 1HZ LYS 31 1HZ LYS 31 -6.355 -17.478 -2.409 270 2HZ LYS 31 2HZ LYS 31 -6.482 -17.134 -4.014 271 3HZ LYS 31 3HZ LYS 31 -5.081 -16.808 -3.212 272 H GLU 32 H GLU 32 -5.924 -9.652 -2.674 273 HA GLU 32 HA GLU 32 -6.310 -9.484 -5.431 274 1HB GLU 32 1HB GLU 32 -6.997 -7.815 -3.584 275 2HB GLU 32 2HB GLU 32 -5.364 -7.166 -3.705 276 1HG GLU 32 1HG GLU 32 -6.713 -5.812 -5.008 277 2HG GLU 32 2HG GLU 32 -6.032 -6.923 -6.211 278 H LEU 33 H LEU 33 -3.345 -8.565 -3.549 279 HA LEU 33 HA LEU 33 -1.910 -7.994 -5.981 280 1HB LEU 33 1HB LEU 33 -1.005 -8.345 -3.124 281 2HB LEU 33 2HB LEU 33 0.138 -8.321 -4.468 282 HG LEU 33 HG LEU 33 0.101 -6.136 -3.660 283 1HD1 LEU 33 1HD1 LEU 33 -1.692 -5.855 -6.082 284 2HD1 LEU 33 2HD1 LEU 33 -0.038 -6.494 -6.211 285 3HD1 LEU 33 3HD1 LEU 33 -0.329 -4.867 -5.583 286 1HD2 LEU 33 1HD2 LEU 33 -2.002 -6.174 -2.425 287 2HD2 LEU 33 2HD2 LEU 33 -2.933 -6.103 -3.936 288 3HD2 LEU 33 3HD2 LEU 33 -1.911 -4.736 -3.458 289 H SER 34 H SER 34 -2.109 -10.981 -3.977 290 HA SER 34 HA SER 34 -0.167 -12.387 -5.397 291 1HB SER 34 1HB SER 34 -2.770 -13.493 -4.262 292 2HB SER 34 2HB SER 34 -1.367 -14.454 -4.759 293 HG SER 34 HG SER 34 -1.394 -12.466 -2.731 294 H LYS 35 H LYS 35 -3.609 -11.887 -6.249 295 HA LYS 35 HA LYS 35 -3.576 -13.537 -8.605 296 1HB LYS 35 1HB LYS 35 -5.312 -11.198 -7.752 297 2HB LYS 35 2HB LYS 35 -5.609 -12.158 -9.208 298 1HG LYS 35 1HG LYS 35 -5.793 -14.217 -7.861 299 2HG LYS 35 2HG LYS 35 -5.550 -13.297 -6.376 300 1HD LYS 35 1HD LYS 35 -7.854 -12.930 -8.354 301 2HD LYS 35 2HD LYS 35 -7.939 -13.802 -6.815 302 1HE LYS 35 1HE LYS 35 -7.328 -11.675 -5.616 303 2HE LYS 35 2HE LYS 35 -7.408 -10.813 -7.168 304 1HZ LYS 35 1HZ LYS 35 -9.410 -10.590 -5.989 305 2HZ LYS 35 2HZ LYS 35 -9.683 -11.472 -7.353 306 3HZ LYS 35 3HZ LYS 35 -9.625 -12.223 -5.885 307 H THR 36 H THR 36 -3.101 -9.986 -8.149 308 HA THR 36 HA THR 36 -2.876 -9.568 -11.022 309 HB THR 36 HB THR 36 -2.243 -7.223 -10.300 310 HG1 THR 36 HG1 THR 36 -3.111 -8.131 -7.755 311 1HG2 THR 36 1HG2 THR 36 -4.549 -6.713 -9.542 312 2HG2 THR 36 2HG2 THR 36 -4.559 -7.866 -10.890 313 3HG2 THR 36 3HG2 THR 36 -4.845 -8.435 -9.233 314 H SER 37 H SER 37 -0.470 -9.675 -8.382 315 HA SER 37 HA SER 37 1.600 -10.455 -10.327 316 1HB SER 37 1HB SER 37 1.825 -8.011 -8.524 317 2HB SER 37 2HB SER 37 3.197 -8.778 -9.348 318 HG SER 37 HG SER 37 1.076 -8.316 -11.028 319 H THR 38 H THR 38 1.814 -12.445 -9.427 320 HA THR 38 HA THR 38 1.415 -13.044 -6.763 321 HB THR 38 HB THR 38 2.887 -14.785 -8.745 322 HG1 THR 38 HG1 THR 38 0.153 -14.007 -8.680 323 1HG2 THR 38 1HG2 THR 38 0.685 -15.344 -6.691 324 2HG2 THR 38 2HG2 THR 38 1.441 -16.534 -7.769 325 3HG2 THR 38 3HG2 THR 38 2.402 -15.761 -6.495 326 H TRP 39 H TRP 39 3.037 -11.244 -5.991 327 HA TRP 39 HA TRP 39 5.741 -12.280 -5.487 328 1HB TRP 39 1HB TRP 39 4.176 -10.007 -4.211 329 2HB TRP 39 2HB TRP 39 5.899 -10.317 -4.042 330 HD1 TRP 39 HD1 TRP 39 7.138 -10.426 -6.687 331 HE1 TRP 39 HE1 TRP 39 7.078 -8.489 -8.401 332 HE3 TRP 39 HE3 TRP 39 2.914 -8.012 -5.087 333 HZ2 TRP 39 HZ2 TRP 39 5.475 -6.189 -8.943 334 HZ3 TRP 39 HZ3 TRP 39 2.210 -5.899 -6.156 335 HH2 TRP 39 HH2 TRP 39 3.465 -4.993 -8.101 336 H SER 40 H SER 40 6.400 -12.875 -3.194 337 HA SER 40 HA SER 40 4.505 -14.758 -2.173 338 1HB SER 40 1HB SER 40 6.127 -15.321 -0.528 339 2HB SER 40 2HB SER 40 7.025 -14.966 -2.008 340 HG SER 40 HG SER 40 7.500 -12.903 -1.124 341 HA PRO 41 HA PRO 41 2.170 -12.299 0.776 342 1HB PRO 41 1HB PRO 41 2.875 -14.517 2.723 343 2HB PRO 41 2HB PRO 41 1.308 -13.682 2.512 344 1HG PRO 41 1HG PRO 41 1.662 -16.097 1.360 345 2HG PRO 41 2HG PRO 41 0.953 -14.774 0.390 346 1HD PRO 41 1HD PRO 41 3.819 -15.755 0.371 347 2HD PRO 41 2HD PRO 41 2.738 -15.345 -0.998 348 H LYS 42 H LYS 42 5.332 -13.676 1.759 349 HA LYS 42 HA LYS 42 5.872 -11.874 3.915 350 1HB LYS 42 1HB LYS 42 7.060 -14.014 3.478 351 2HB LYS 42 2HB LYS 42 7.827 -13.290 2.052 352 1HG LYS 42 1HG LYS 42 8.810 -11.512 3.554 353 2HG LYS 42 2HG LYS 42 8.124 -12.353 4.948 354 1HD LYS 42 1HD LYS 42 10.149 -13.510 2.966 355 2HD LYS 42 2HD LYS 42 10.529 -12.843 4.561 356 1HE LYS 42 1HE LYS 42 9.058 -14.596 5.612 357 2HE LYS 42 2HE LYS 42 8.833 -15.323 4.008 358 1HZ LYS 42 1HZ LYS 42 11.401 -14.982 5.378 359 2HZ LYS 42 2HZ LYS 42 10.561 -16.390 5.216 360 3HZ LYS 42 3HZ LYS 42 11.186 -15.648 3.885 361 H THR 43 H THR 43 6.697 -11.833 0.390 362 HA THR 43 HA THR 43 8.003 -9.330 0.360 363 HB THR 43 HB THR 43 6.260 -10.504 -1.840 364 HG1 THR 43 HG1 THR 43 8.975 -10.999 -1.195 365 1HG2 THR 43 1HG2 THR 43 8.668 -8.639 -1.911 366 2HG2 THR 43 2HG2 THR 43 6.997 -8.250 -2.375 367 3HG2 THR 43 3HG2 THR 43 7.936 -9.405 -3.332 368 H ILE 44 H ILE 44 4.514 -10.123 -0.139 369 HA ILE 44 HA ILE 44 3.599 -7.479 -0.551 370 HB ILE 44 HB ILE 44 2.146 -9.781 0.821 371 1HG1 ILE 44 1HG1 ILE 44 2.787 -10.496 -1.406 372 2HG1 ILE 44 2HG1 ILE 44 1.068 -10.161 -1.360 373 1HG2 ILE 44 1HG2 ILE 44 0.107 -8.492 -0.113 374 2HG2 ILE 44 2HG2 ILE 44 1.196 -7.099 -0.220 375 3HG2 ILE 44 3HG2 ILE 44 0.897 -7.894 1.343 376 1HD1 ILE 44 1HD1 ILE 44 1.985 -9.321 -3.399 377 2HD1 ILE 44 2HD1 ILE 44 3.252 -8.409 -2.561 378 3HD1 ILE 44 3HD1 ILE 44 1.549 -7.910 -2.411 379 H GLN 45 H GLN 45 3.773 -9.272 2.557 380 HA GLN 45 HA GLN 45 2.973 -7.119 4.220 381 1HB GLN 45 1HB GLN 45 4.727 -9.539 4.698 382 2HB GLN 45 2HB GLN 45 4.284 -8.408 5.986 383 1HG GLN 45 1HG GLN 45 1.946 -8.822 5.740 384 2HG GLN 45 2HG GLN 45 2.161 -9.701 4.224 385 1HE2 GLN 45 1HE2 GLN 45 3.521 -11.679 4.316 386 2HE2 GLN 45 2HE2 GLN 45 3.359 -12.719 5.741 387 H THR 46 H THR 46 6.252 -8.000 3.061 388 HA THR 46 HA THR 46 7.649 -6.015 4.537 389 HB THR 46 HB THR 46 8.376 -7.160 1.806 390 HG1 THR 46 HG1 THR 46 8.011 -8.770 3.388 391 1HG2 THR 46 1HG2 THR 46 10.080 -5.950 4.028 392 2HG2 THR 46 2HG2 THR 46 10.696 -6.738 2.562 393 3HG2 THR 46 3HG2 THR 46 9.783 -5.225 2.431 394 H MET 47 H MET 47 6.192 -5.902 1.237 395 HA MET 47 HA MET 47 6.970 -3.230 0.622 396 1HB MET 47 1HB MET 47 4.595 -4.901 -0.297 397 2HB MET 47 2HB MET 47 5.006 -3.314 -0.959 398 1HG MET 47 1HG MET 47 7.130 -4.112 -1.785 399 2HG MET 47 2HG MET 47 6.971 -5.635 -0.924 400 1HE MET 47 1HE MET 47 6.298 -3.741 -4.205 401 2HE MET 47 2HE MET 47 4.765 -3.476 -3.343 402 3HE MET 47 3HE MET 47 4.799 -4.499 -4.799 403 H LEU 48 H LEU 48 3.898 -4.495 2.029 404 HA LEU 48 HA LEU 48 2.611 -2.034 2.474 405 1HB LEU 48 1HB LEU 48 2.582 -4.658 3.990 406 2HB LEU 48 2HB LEU 48 1.527 -3.322 4.438 407 HG LEU 48 HG LEU 48 1.593 -4.237 1.542 408 1HD1 LEU 48 1HD1 LEU 48 1.298 -6.296 2.905 409 2HD1 LEU 48 2HD1 LEU 48 -0.108 -5.563 3.679 410 3HD1 LEU 48 3HD1 LEU 48 -0.122 -5.873 1.936 411 1HD2 LEU 48 1HD2 LEU 48 -0.581 -3.116 3.364 412 2HD2 LEU 48 2HD2 LEU 48 -0.793 -3.518 1.656 413 3HD2 LEU 48 3HD2 LEU 48 0.299 -2.199 2.136 414 H LEU 49 H LEU 49 4.738 -3.803 4.756 415 HA LEU 49 HA LEU 49 4.774 -1.921 6.820 416 1HB LEU 49 1HB LEU 49 5.616 -4.206 6.935 417 2HB LEU 49 2HB LEU 49 6.953 -3.828 5.859 418 HG LEU 49 HG LEU 49 7.477 -4.069 8.281 419 1HD1 LEU 49 1HD1 LEU 49 8.288 -1.334 7.247 420 2HD1 LEU 49 2HD1 LEU 49 8.978 -2.869 6.681 421 3HD1 LEU 49 3HD1 LEU 49 9.145 -2.388 8.375 422 1HD2 LEU 49 1HD2 LEU 49 6.991 -2.329 9.866 423 2HD2 LEU 49 2HD2 LEU 49 6.182 -1.338 8.636 424 3HD2 LEU 49 3HD2 LEU 49 5.465 -2.881 9.156 425 H ARG 50 H ARG 50 7.045 -2.180 4.027 426 HA ARG 50 HA ARG 50 8.638 0.063 4.645 427 1HB ARG 50 1HB ARG 50 7.872 -1.216 1.993 428 2HB ARG 50 2HB ARG 50 9.036 0.098 2.100 429 1HG ARG 50 1HG ARG 50 9.496 -2.229 3.938 430 2HG ARG 50 2HG ARG 50 9.704 -2.532 2.212 431 1HD ARG 50 1HD ARG 50 11.854 -1.849 3.245 432 2HD ARG 50 2HD ARG 50 11.319 -0.760 1.976 433 HE ARG 50 HE ARG 50 11.083 0.959 3.453 434 1HH1 ARG 50 1HH1 ARG 50 11.385 -2.025 5.306 435 2HH1 ARG 50 2HH1 ARG 50 11.716 -1.227 6.820 436 1HH2 ARG 50 1HH2 ARG 50 11.460 2.026 5.410 437 2HH2 ARG 50 2HH2 ARG 50 11.760 1.136 6.875 438 H LEU 51 H LEU 51 5.634 -0.045 2.530 439 HA LEU 51 HA LEU 51 5.644 2.642 1.863 440 1HB LEU 51 1HB LEU 51 3.468 0.540 2.222 441 2HB LEU 51 2HB LEU 51 3.253 2.032 1.427 442 HG LEU 51 HG LEU 51 5.387 0.156 0.407 443 1HD1 LEU 51 1HD1 LEU 51 3.750 -0.579 -1.264 444 2HD1 LEU 51 2HD1 LEU 51 3.196 -1.020 0.359 445 3HD1 LEU 51 3HD1 LEU 51 2.474 0.374 -0.470 446 1HD2 LEU 51 1HD2 LEU 51 5.040 1.433 -1.636 447 2HD2 LEU 51 2HD2 LEU 51 3.858 2.468 -0.815 448 3HD2 LEU 51 3HD2 LEU 51 5.572 2.490 -0.330 449 H ILE 52 H ILE 52 4.124 0.921 4.660 450 HA ILE 52 HA ILE 52 2.846 3.221 5.743 451 HB ILE 52 HB ILE 52 3.885 0.680 7.032 452 1HG1 ILE 52 1HG1 ILE 52 1.027 1.612 6.610 453 2HG1 ILE 52 2HG1 ILE 52 1.897 0.763 5.333 454 1HG2 ILE 52 1HG2 ILE 52 2.491 1.326 9.016 455 2HG2 ILE 52 2HG2 ILE 52 2.242 2.925 8.290 456 3HG2 ILE 52 3HG2 ILE 52 3.864 2.401 8.792 457 1HD1 ILE 52 1HD1 ILE 52 1.347 -0.359 8.106 458 2HD1 ILE 52 2HD1 ILE 52 0.558 -0.789 6.582 459 3HD1 ILE 52 3HD1 ILE 52 2.274 -1.168 6.823 460 H LYS 53 H LYS 53 6.162 1.889 6.397 461 HA LYS 53 HA LYS 53 6.896 4.019 8.155 462 1HB LYS 53 1HB LYS 53 8.592 2.201 6.397 463 2HB LYS 53 2HB LYS 53 9.255 3.405 7.519 464 1HG LYS 53 1HG LYS 53 7.955 2.362 9.385 465 2HG LYS 53 2HG LYS 53 7.436 1.077 8.278 466 1HD LYS 53 1HD LYS 53 9.769 0.399 7.930 467 2HD LYS 53 2HD LYS 53 10.347 1.765 8.913 468 1HE LYS 53 1HE LYS 53 9.202 0.862 10.903 469 2HE LYS 53 2HE LYS 53 8.571 -0.490 9.950 470 1HZ LYS 53 1HZ LYS 53 10.824 -1.189 9.570 471 2HZ LYS 53 2HZ LYS 53 11.409 0.076 10.452 472 3HZ LYS 53 3HZ LYS 53 10.510 -1.093 11.184 473 H LYS 54 H LYS 54 7.014 3.819 4.594 474 HA LYS 54 HA LYS 54 8.273 6.412 4.287 475 1HB LYS 54 1HB LYS 54 6.769 4.624 2.358 476 2HB LYS 54 2HB LYS 54 7.570 6.132 1.897 477 1HG LYS 54 1HG LYS 54 9.741 5.309 2.528 478 2HG LYS 54 2HG LYS 54 9.058 3.884 3.309 479 1HD LYS 54 1HD LYS 54 10.005 3.240 1.195 480 2HD LYS 54 2HD LYS 54 8.251 3.024 1.137 481 1HE LYS 54 1HE LYS 54 7.994 5.067 -0.195 482 2HE LYS 54 2HE LYS 54 9.714 5.464 0.015 483 1HZ LYS 54 1HZ LYS 54 9.290 4.461 -2.102 484 2HZ LYS 54 2HZ LYS 54 8.677 3.103 -1.390 485 3HZ LYS 54 3HZ LYS 54 10.263 3.498 -1.197 486 H GLY 55 H GLY 55 5.289 5.797 5.623 487 1HA GLY 55 1HA GLY 55 3.596 7.189 6.147 488 2HA GLY 55 2HA GLY 55 4.409 8.508 5.295 489 H ALA 56 H ALA 56 3.734 5.519 3.575 490 HA ALA 56 HA ALA 56 2.146 6.911 1.604 491 1HB ALA 56 1HB ALA 56 2.668 3.950 2.035 492 2HB ALA 56 2HB ALA 56 2.199 4.684 0.503 493 3HB ALA 56 3HB ALA 56 3.804 5.011 1.188 494 H LEU 57 H LEU 57 1.406 4.656 4.267 495 HA LEU 57 HA LEU 57 -1.487 4.754 3.803 496 1HB LEU 57 1HB LEU 57 0.077 2.182 4.166 497 2HB LEU 57 2HB LEU 57 -1.649 2.351 3.892 498 HG LEU 57 HG LEU 57 0.545 2.895 1.827 499 1HD1 LEU 57 1HD1 LEU 57 -0.183 0.759 0.862 500 2HD1 LEU 57 2HD1 LEU 57 0.430 0.552 2.514 501 3HD1 LEU 57 3HD1 LEU 57 -1.323 0.537 2.213 502 1HD2 LEU 57 1HD2 LEU 57 -1.339 2.699 0.168 503 2HD2 LEU 57 2HD2 LEU 57 -1.442 4.142 1.159 504 3HD2 LEU 57 3HD2 LEU 57 -2.488 2.739 1.510 505 H ASN 58 H ASN 58 -2.594 3.892 5.745 506 HA ASN 58 HA ASN 58 -0.936 3.527 8.196 507 1HB ASN 58 1HB ASN 58 -1.921 5.767 8.202 508 2HB ASN 58 2HB ASN 58 -3.515 5.115 7.820 509 1HD2 ASN 58 1HD2 ASN 58 -0.894 4.875 10.308 510 2HD2 ASN 58 2HD2 ASN 58 -1.996 4.490 11.620 511 H HIS 59 H HIS 59 -1.472 1.644 9.289 512 HA HIS 59 HA HIS 59 -3.726 0.072 8.232 513 1HB HIS 59 1HB HIS 59 -2.599 -1.804 9.291 514 2HB HIS 59 2HB HIS 59 -1.649 -0.991 8.048 515 HD2 HIS 59 HD2 HIS 59 -0.164 -2.848 10.204 516 HE1 HIS 59 HE1 HIS 59 1.383 0.845 11.585 517 HE2 HIS 59 HE2 HIS 59 1.708 -1.685 11.643 518 H HIS 60 H HIS 60 -5.531 -0.103 9.346 519 HA HIS 60 HA HIS 60 -5.622 0.582 12.252 520 1HB HIS 60 1HB HIS 60 -6.995 2.061 11.077 521 2HB HIS 60 2HB HIS 60 -7.613 0.733 10.090 522 HD2 HIS 60 HD2 HIS 60 -10.210 0.582 10.804 523 HE1 HIS 60 HE1 HIS 60 -9.575 0.102 14.960 524 HE2 HIS 60 HE2 HIS 60 -11.309 -0.070 13.074 525 H LYS 61 H LYS 61 -6.751 -0.903 13.618 526 HA LYS 61 HA LYS 61 -6.477 -3.734 12.734 527 1HB LYS 61 1HB LYS 61 -6.935 -2.663 15.529 528 2HB LYS 61 2HB LYS 61 -6.428 -4.286 15.048 529 1HG LYS 61 1HG LYS 61 -4.833 -1.690 14.834 530 2HG LYS 61 2HG LYS 61 -4.550 -3.049 15.922 531 1HD LYS 61 1HD LYS 61 -4.003 -4.503 13.959 532 2HD LYS 61 2HD LYS 61 -4.299 -3.128 12.875 533 1HE LYS 61 1HE LYS 61 -1.924 -3.366 13.200 534 2HE LYS 61 2HE LYS 61 -2.481 -1.844 13.908 535 1HZ LYS 61 1HZ LYS 61 -1.946 -4.329 15.390 536 2HZ LYS 61 2HZ LYS 61 -2.424 -2.897 16.053 537 3HZ LYS 61 3HZ LYS 61 -0.953 -3.016 15.324 538 H GLU 62 H GLU 62 -8.313 -4.213 11.566 539 HA GLU 62 HA GLU 62 -10.975 -3.460 12.672 540 1HB GLU 62 1HB GLU 62 -9.927 -4.315 9.977 541 2HB GLU 62 2HB GLU 62 -11.626 -4.573 10.333 542 1HG GLU 62 1HG GLU 62 -10.250 -1.885 10.710 543 2HG GLU 62 2HG GLU 62 -11.139 -2.338 9.257 544 H GLY 63 H GLY 63 -10.454 -4.716 14.465 545 1HA GLY 63 1HA GLY 63 -10.865 -6.446 15.862 546 2HA GLY 63 2HA GLY 63 -12.073 -6.973 14.691 547 H ARG 64 H ARG 64 -11.174 -8.260 12.821 548 HA ARG 64 HA ARG 64 -9.489 -10.451 13.961 549 1HB ARG 64 1HB ARG 64 -11.298 -10.473 11.543 550 2HB ARG 64 2HB ARG 64 -10.498 -11.862 12.283 551 1HG ARG 64 1HG ARG 64 -12.718 -10.168 13.532 552 2HG ARG 64 2HG ARG 64 -12.865 -11.795 12.872 553 1HD ARG 64 1HD ARG 64 -11.191 -12.580 14.642 554 2HD ARG 64 2HD ARG 64 -11.254 -10.955 15.323 555 HE ARG 64 HE ARG 64 -13.277 -11.357 16.259 556 1HH1 ARG 64 1HH1 ARG 64 -12.683 -13.867 13.850 557 2HH1 ARG 64 2HH1 ARG 64 -14.020 -14.869 14.347 558 1HH2 ARG 64 1HH2 ARG 64 -15.039 -12.634 16.911 559 2HH2 ARG 64 2HH2 ARG 64 -15.393 -14.142 16.114 560 H VAL 65 H VAL 65 -9.524 -7.983 11.427 561 HA VAL 65 HA VAL 65 -6.890 -8.961 10.458 562 HB VAL 65 HB VAL 65 -7.639 -8.350 8.136 563 1HG1 VAL 65 1HG1 VAL 65 -8.770 -10.445 7.662 564 2HG1 VAL 65 2HG1 VAL 65 -9.215 -10.646 9.366 565 3HG1 VAL 65 3HG1 VAL 65 -7.508 -10.709 8.878 566 1HG2 VAL 65 1HG2 VAL 65 -10.453 -8.397 9.353 567 2HG2 VAL 65 2HG2 VAL 65 -10.071 -8.342 7.637 568 3HG2 VAL 65 3HG2 VAL 65 -9.627 -6.977 8.681 569 H PHE 66 H PHE 66 -5.933 -7.078 9.061 570 HA PHE 66 HA PHE 66 -6.672 -4.512 10.400 571 1HB PHE 66 1HB PHE 66 -4.368 -3.785 10.164 572 2HB PHE 66 2HB PHE 66 -4.678 -5.017 11.369 573 HD1 PHE 66 HD1 PHE 66 -4.193 -7.496 10.808 574 HD2 PHE 66 HD2 PHE 66 -2.443 -4.114 8.775 575 HE1 PHE 66 HE1 PHE 66 -2.134 -8.799 10.406 576 HE2 PHE 66 HE2 PHE 66 -0.316 -5.362 8.568 577 HZ PHE 66 HZ PHE 66 -0.171 -7.722 9.323 578 H VAL 67 H VAL 67 -7.097 -2.837 9.185 579 HA VAL 67 HA VAL 67 -7.270 -3.325 6.274 580 HB VAL 67 HB VAL 67 -8.932 -1.755 8.242 581 1HG1 VAL 67 1HG1 VAL 67 -8.964 -1.413 5.214 582 2HG1 VAL 67 2HG1 VAL 67 -8.602 -0.155 6.420 583 3HG1 VAL 67 3HG1 VAL 67 -10.227 -0.844 6.322 584 1HG2 VAL 67 1HG2 VAL 67 -10.733 -3.136 7.286 585 2HG2 VAL 67 2HG2 VAL 67 -9.696 -3.622 5.966 586 3HG2 VAL 67 3HG2 VAL 67 -9.374 -4.235 7.595 587 H TYR 68 H TYR 68 -6.251 -2.089 4.860 588 HA TYR 68 HA TYR 68 -4.306 -0.105 5.946 589 1HB TYR 68 1HB TYR 68 -4.556 -1.452 3.229 590 2HB TYR 68 2HB TYR 68 -3.296 -0.315 3.703 591 HD1 TYR 68 HD1 TYR 68 -4.226 -3.784 3.617 592 HD2 TYR 68 HD2 TYR 68 -1.849 -0.899 5.759 593 HE1 TYR 68 HE1 TYR 68 -2.750 -5.590 4.434 594 HE2 TYR 68 HE2 TYR 68 -0.503 -2.763 6.748 595 HH TYR 68 HH TYR 68 -0.974 -6.152 5.804 596 H THR 69 H THR 69 -4.841 1.953 5.841 597 HA THR 69 HA THR 69 -6.920 2.912 3.943 598 HB THR 69 HB THR 69 -7.286 4.689 5.443 599 HG1 THR 69 HG1 THR 69 -5.210 3.531 7.017 600 1HG2 THR 69 1HG2 THR 69 -8.219 3.491 7.370 601 2HG2 THR 69 2HG2 THR 69 -7.207 2.076 7.041 602 3HG2 THR 69 3HG2 THR 69 -8.489 2.539 5.903 603 HA PRO 70 HA PRO 70 -3.301 4.774 2.044 604 1HB PRO 70 1HB PRO 70 -5.383 6.485 0.663 605 2HB PRO 70 2HB PRO 70 -3.949 5.674 -0.039 606 1HG PRO 70 1HG PRO 70 -6.411 4.553 -0.338 607 2HG PRO 70 2HG PRO 70 -4.991 3.556 0.107 608 1HD PRO 70 1HD PRO 70 -7.149 4.636 1.952 609 2HD PRO 70 2HD PRO 70 -6.457 2.998 1.866 610 H ASN 71 H ASN 71 -2.004 6.497 2.669 611 HA ASN 71 HA ASN 71 -3.155 8.583 4.438 612 1HB ASN 71 1HB ASN 71 -0.329 8.100 3.378 613 2HB ASN 71 2HB ASN 71 -0.754 9.308 4.568 614 1HD2 ASN 71 1HD2 ASN 71 1.130 7.667 5.313 615 2HD2 ASN 71 2HD2 ASN 71 0.569 6.396 6.423 616 H ILE 72 H ILE 72 -1.754 8.085 1.278 617 HA ILE 72 HA ILE 72 -2.165 10.912 0.444 618 HB ILE 72 HB ILE 72 -0.373 10.325 -1.201 619 1HG1 ILE 72 1HG1 ILE 72 0.532 8.075 0.555 620 2HG1 ILE 72 2HG1 ILE 72 -0.743 7.678 -0.583 621 1HG2 ILE 72 1HG2 ILE 72 1.517 10.452 0.442 622 2HG2 ILE 72 2HG2 ILE 72 0.210 11.585 0.827 623 3HG2 ILE 72 3HG2 ILE 72 0.396 10.077 1.748 624 1HD1 ILE 72 1HD1 ILE 72 1.599 7.325 -1.445 625 2HD1 ILE 72 2HD1 ILE 72 0.594 8.392 -2.461 626 3HD1 ILE 72 3HD1 ILE 72 1.816 9.093 -1.404 627 H ASP 73 H ASP 73 -2.638 11.152 -1.860 628 HA ASP 73 HA ASP 73 -4.602 9.142 -2.889 629 1HB ASP 73 1HB ASP 73 -5.611 11.308 -2.470 630 2HB ASP 73 2HB ASP 73 -4.276 12.151 -3.275 631 H GLU 74 H GLU 74 -4.580 8.915 -5.294 632 HA GLU 74 HA GLU 74 -2.192 8.175 -6.445 633 1HB GLU 74 1HB GLU 74 -4.534 9.434 -7.955 634 2HB GLU 74 2HB GLU 74 -3.286 8.354 -8.595 635 1HG GLU 74 1HG GLU 74 -4.136 6.673 -6.791 636 2HG GLU 74 2HG GLU 74 -5.583 7.682 -6.723 637 H SER 75 H SER 75 -3.722 11.415 -6.689 638 HA SER 75 HA SER 75 -1.836 12.597 -8.408 639 1HB SER 75 1HB SER 75 -3.279 14.085 -6.176 640 2HB SER 75 2HB SER 75 -2.841 14.664 -7.792 641 HG SER 75 HG SER 75 -4.921 12.925 -6.996 642 H ASP 76 H ASP 76 -1.356 11.732 -5.075 643 HA ASP 76 HA ASP 76 0.698 13.738 -4.574 644 1HB ASP 76 1HB ASP 76 -0.747 12.572 -2.820 645 2HB ASP 76 2HB ASP 76 0.208 11.111 -3.157 646 H TYR 77 H TYR 77 0.582 10.916 -6.550 647 HA TYR 77 HA TYR 77 3.200 9.925 -5.971 648 1HB TYR 77 1HB TYR 77 1.396 8.506 -6.827 649 2HB TYR 77 2HB TYR 77 1.348 9.450 -8.320 650 HD1 TYR 77 HD1 TYR 77 4.213 7.971 -6.333 651 HD2 TYR 77 HD2 TYR 77 2.116 8.131 -10.102 652 HE1 TYR 77 HE1 TYR 77 6.131 6.919 -7.460 653 HE2 TYR 77 HE2 TYR 77 4.003 6.948 -11.186 654 HH TYR 77 HH TYR 77 7.062 6.301 -9.456 655 H ILE 78 H ILE 78 3.798 12.417 -6.164 656 HA ILE 78 HA ILE 78 5.326 12.759 -8.724 657 HB ILE 78 HB ILE 78 4.503 14.818 -6.624 658 1HG1 ILE 78 1HG1 ILE 78 2.558 14.088 -7.973 659 2HG1 ILE 78 2HG1 ILE 78 2.998 15.775 -8.220 660 1HG2 ILE 78 1HG2 ILE 78 6.038 15.079 -9.245 661 2HG2 ILE 78 2HG2 ILE 78 6.624 15.427 -7.610 662 3HG2 ILE 78 3HG2 ILE 78 5.371 16.451 -8.332 663 1HD1 ILE 78 1HD1 ILE 78 3.704 13.498 -10.124 664 2HD1 ILE 78 2HD1 ILE 78 2.390 14.667 -10.324 665 3HD1 ILE 78 3HD1 ILE 78 4.066 15.224 -10.372 666 H GLU 79 H GLU 79 7.082 11.441 -8.168 667 HA GLU 79 HA GLU 79 7.940 11.137 -5.467 668 1HB GLU 79 1HB GLU 79 9.337 10.451 -8.090 669 2HB GLU 79 2HB GLU 79 9.829 9.913 -6.485 670 1HG GLU 79 1HG GLU 79 7.611 8.782 -6.230 671 2HG GLU 79 2HG GLU 79 7.219 9.228 -7.899 672 H VAL 80 H VAL 80 9.623 11.991 -4.336 673 HA VAL 80 HA VAL 80 10.872 14.441 -5.274 674 HB VAL 80 HB VAL 80 10.257 14.158 -2.934 675 1HG1 VAL 80 1HG1 VAL 80 12.425 12.021 -2.709 676 2HG1 VAL 80 2HG1 VAL 80 11.453 12.701 -1.397 677 3HG1 VAL 80 3HG1 VAL 80 10.678 11.709 -2.634 678 1HG2 VAL 80 1HG2 VAL 80 12.118 15.666 -3.548 679 2HG2 VAL 80 2HG2 VAL 80 13.278 14.349 -3.269 680 3HG2 VAL 80 3HG2 VAL 80 12.314 14.984 -1.924 681 H LYS 81 H LYS 81 12.894 14.624 -6.180 682 HA LYS 81 HA LYS 81 14.300 12.112 -6.946 683 1HB LYS 81 1HB LYS 81 14.665 14.947 -7.982 684 2HB LYS 81 2HB LYS 81 15.341 13.455 -8.647 685 1HG LYS 81 1HG LYS 81 12.413 14.308 -8.586 686 2HG LYS 81 2HG LYS 81 13.472 14.183 -9.996 687 1HD LYS 81 1HD LYS 81 13.672 11.684 -9.514 688 2HD LYS 81 2HD LYS 81 12.406 11.886 -8.288 689 1HE LYS 81 1HE LYS 81 12.140 12.446 -11.275 690 2HE LYS 81 2HE LYS 81 11.424 11.101 -10.371 691 1HZ LYS 81 1HZ LYS 81 10.791 13.948 -10.051 692 2HZ LYS 81 2HZ LYS 81 10.195 12.758 -9.088 693 3HZ LYS 81 3HZ LYS 81 9.821 12.786 -10.697 694 H SER 82 H SER 82 15.212 11.706 -4.816 695 HA SER 82 HA SER 82 17.726 12.945 -4.348 696 1HB SER 82 1HB SER 82 15.537 13.243 -2.233 697 2HB SER 82 2HB SER 82 17.253 13.623 -2.032 698 HG SER 82 HG SER 82 16.388 14.945 -4.172 Start of MODEL 19 1 1H MET 1 1H MET 1 9.714 10.415 1.899 2 2H MET 1 2H MET 1 8.514 11.477 2.136 3 3H MET 1 3H MET 1 10.047 11.988 2.150 4 HA MET 1 HA MET 1 8.842 10.255 4.194 5 1HB MET 1 1HB MET 1 11.644 11.492 4.129 6 2HB MET 1 2HB MET 1 10.966 10.468 5.399 7 1HG MET 1 1HG MET 1 11.701 9.683 2.553 8 2HG MET 1 2HG MET 1 12.446 9.136 4.047 9 1HE MET 1 1HE MET 1 9.864 6.663 5.522 10 2HE MET 1 2HE MET 1 11.359 7.589 5.767 11 3HE MET 1 3HE MET 1 9.776 8.399 5.880 12 H LYS 2 H LYS 2 10.418 13.404 3.495 13 HA LYS 2 HA LYS 2 9.539 14.727 5.872 14 1HB LYS 2 1HB LYS 2 11.471 15.320 4.348 15 2HB LYS 2 2HB LYS 2 10.285 15.899 3.165 16 1HG LYS 2 1HG LYS 2 9.420 17.464 5.028 17 2HG LYS 2 2HG LYS 2 10.874 17.020 5.928 18 1HD LYS 2 1HD LYS 2 10.754 18.304 3.150 19 2HD LYS 2 2HD LYS 2 11.162 19.126 4.664 20 1HE LYS 2 1HE LYS 2 13.171 17.648 4.902 21 2HE LYS 2 2HE LYS 2 12.785 16.896 3.340 22 1HZ LYS 2 1HZ LYS 2 13.380 19.733 3.748 23 2HZ LYS 2 2HZ LYS 2 13.013 19.018 2.308 24 3HZ LYS 2 3HZ LYS 2 14.395 18.605 3.105 25 H LYS 3 H LYS 3 8.196 14.416 2.519 26 HA LYS 3 HA LYS 3 5.650 15.646 3.533 27 1HB LYS 3 1HB LYS 3 6.954 16.099 0.834 28 2HB LYS 3 2HB LYS 3 5.364 16.677 1.341 29 1HG LYS 3 1HG LYS 3 6.358 18.044 3.120 30 2HG LYS 3 2HG LYS 3 7.978 17.473 2.701 31 1HD LYS 3 1HD LYS 3 7.694 18.413 0.389 32 2HD LYS 3 2HD LYS 3 6.109 19.049 0.871 33 1HE LYS 3 1HE LYS 3 7.188 20.440 2.618 34 2HE LYS 3 2HE LYS 3 8.773 19.762 2.193 35 1HZ LYS 3 1HZ LYS 3 8.537 20.701 0.020 36 2HZ LYS 3 2HZ LYS 3 7.065 21.338 0.404 37 3HZ LYS 3 3HZ LYS 3 8.421 21.874 1.172 38 H ILE 4 H ILE 4 7.126 13.489 1.000 39 HA ILE 4 HA ILE 4 4.480 12.078 0.968 40 HB ILE 4 HB ILE 4 4.467 12.038 -1.444 41 1HG1 ILE 4 1HG1 ILE 4 6.979 13.757 -1.472 42 2HG1 ILE 4 2HG1 ILE 4 6.984 12.007 -1.738 43 1HG2 ILE 4 1HG2 ILE 4 3.910 14.302 -1.929 44 2HG2 ILE 4 2HG2 ILE 4 3.491 14.016 -0.237 45 3HG2 ILE 4 3HG2 ILE 4 4.963 14.923 -0.647 46 1HD1 ILE 4 1HD1 ILE 4 5.398 12.254 -3.620 47 2HD1 ILE 4 2HD1 ILE 4 5.569 14.021 -3.482 48 3HD1 ILE 4 3HD1 ILE 4 6.984 13.007 -3.842 49 HA PRO 5 HA PRO 5 6.950 8.413 0.663 50 1HB PRO 5 1HB PRO 5 5.109 7.155 -1.293 51 2HB PRO 5 2HB PRO 5 5.402 6.680 0.394 52 1HG PRO 5 1HG PRO 5 3.060 7.817 -0.476 53 2HG PRO 5 2HG PRO 5 3.744 8.201 1.140 54 1HD PRO 5 1HD PRO 5 4.048 9.768 -1.437 55 2HD PRO 5 2HD PRO 5 3.545 10.347 0.175 56 H GLN 6 H GLN 6 8.935 8.551 -0.516 57 HA GLN 6 HA GLN 6 8.981 9.010 -3.400 58 1HB GLN 6 1HB GLN 6 11.143 8.260 -1.389 59 2HB GLN 6 2HB GLN 6 11.423 8.468 -3.122 60 1HG GLN 6 1HG GLN 6 11.998 10.529 -2.014 61 2HG GLN 6 2HG GLN 6 10.583 10.777 -3.044 62 1HE2 GLN 6 1HE2 GLN 6 9.644 12.510 -1.955 63 2HE2 GLN 6 2HE2 GLN 6 9.123 12.464 -0.268 64 H ILE 7 H ILE 7 7.406 7.328 -3.722 65 HA ILE 7 HA ILE 7 8.193 4.528 -3.493 66 HB ILE 7 HB ILE 7 5.757 6.181 -3.994 67 1HG1 ILE 7 1HG1 ILE 7 6.359 3.644 -2.413 68 2HG1 ILE 7 2HG1 ILE 7 6.467 5.312 -1.824 69 1HG2 ILE 7 1HG2 ILE 7 4.334 4.549 -4.860 70 2HG2 ILE 7 2HG2 ILE 7 5.651 4.661 -5.999 71 3HG2 ILE 7 3HG2 ILE 7 5.571 3.305 -4.860 72 1HD1 ILE 7 1HD1 ILE 7 3.986 5.539 -2.444 73 2HD1 ILE 7 2HD1 ILE 7 4.377 4.502 -1.060 74 3HD1 ILE 7 3HD1 ILE 7 4.005 3.765 -2.635 75 H SER 8 H SER 8 8.042 2.977 -5.153 76 HA SER 8 HA SER 8 8.782 3.908 -7.895 77 1HB SER 8 1HB SER 8 10.003 1.744 -8.046 78 2HB SER 8 2HB SER 8 10.656 2.793 -6.779 79 HG SER 8 HG SER 8 9.569 1.561 -5.238 80 H ASP 9 H ASP 9 8.042 2.364 -9.600 81 HA ASP 9 HA ASP 9 5.338 2.001 -9.693 82 1HB ASP 9 1HB ASP 9 6.731 1.867 -11.646 83 2HB ASP 9 2HB ASP 9 7.462 0.346 -11.091 84 H ALA 10 H ALA 10 7.680 -0.538 -8.710 85 HA ALA 10 HA ALA 10 5.751 -2.584 -8.311 86 1HB ALA 10 1HB ALA 10 8.482 -2.208 -6.994 87 2HB ALA 10 2HB ALA 10 8.179 -3.018 -8.550 88 3HB ALA 10 3HB ALA 10 7.550 -3.720 -7.045 89 H GLU 11 H GLU 11 6.632 0.137 -6.252 90 HA GLU 11 HA GLU 11 5.265 -1.059 -3.898 91 1HB GLU 11 1HB GLU 11 6.641 1.576 -4.428 92 2HB GLU 11 2HB GLU 11 5.848 1.174 -2.899 93 1HG GLU 11 1HG GLU 11 7.421 -0.667 -2.546 94 2HG GLU 11 2HG GLU 11 8.135 -0.418 -4.150 95 H LEU 12 H LEU 12 4.759 1.232 -6.559 96 HA LEU 12 HA LEU 12 2.336 2.382 -5.537 97 1HB LEU 12 1HB LEU 12 3.910 3.403 -7.259 98 2HB LEU 12 2HB LEU 12 3.424 2.139 -8.388 99 HG LEU 12 HG LEU 12 1.057 3.025 -8.306 100 1HD1 LEU 12 1HD1 LEU 12 2.434 5.285 -6.776 101 2HD1 LEU 12 2HD1 LEU 12 1.120 4.234 -6.194 102 3HD1 LEU 12 3HD1 LEU 12 0.817 5.385 -7.504 103 1HD2 LEU 12 1HD2 LEU 12 1.606 4.966 -9.755 104 2HD2 LEU 12 2HD2 LEU 12 2.560 3.523 -10.149 105 3HD2 LEU 12 3HD2 LEU 12 3.301 4.847 -9.230 106 H GLU 13 H GLU 13 2.864 -0.396 -7.828 107 HA GLU 13 HA GLU 13 0.273 -0.682 -8.777 108 1HB GLU 13 1HB GLU 13 0.701 -3.119 -8.867 109 2HB GLU 13 2HB GLU 13 2.082 -2.152 -9.443 110 1HG GLU 13 1HG GLU 13 3.183 -2.671 -7.399 111 2HG GLU 13 2HG GLU 13 1.840 -3.715 -6.887 112 H VAL 14 H VAL 14 1.477 -1.546 -5.702 113 HA VAL 14 HA VAL 14 -0.657 -3.035 -4.572 114 HB VAL 14 HB VAL 14 1.576 -1.336 -3.377 115 1HG1 VAL 14 1HG1 VAL 14 0.006 -1.857 -1.680 116 2HG1 VAL 14 2HG1 VAL 14 1.478 -2.812 -1.463 117 3HG1 VAL 14 3HG1 VAL 14 0.008 -3.581 -2.136 118 1HG2 VAL 14 1HG2 VAL 14 1.519 -4.072 -4.627 119 2HG2 VAL 14 2HG2 VAL 14 2.655 -2.762 -4.908 120 3HG2 VAL 14 3HG2 VAL 14 2.753 -3.665 -3.414 121 H MET 15 H MET 15 0.214 0.398 -4.584 122 HA MET 15 HA MET 15 -1.905 1.297 -2.839 123 1HB MET 15 1HB MET 15 -0.314 2.879 -4.888 124 2HB MET 15 2HB MET 15 -1.245 3.456 -3.509 125 1HG MET 15 1HG MET 15 0.371 1.706 -2.216 126 2HG MET 15 2HG MET 15 1.398 1.970 -3.544 127 1HE MET 15 1HE MET 15 1.734 5.985 -3.145 128 2HE MET 15 2HE MET 15 0.601 5.020 -4.115 129 3HE MET 15 3HE MET 15 2.304 4.580 -4.087 130 H LYS 16 H LYS 16 -1.400 1.118 -6.343 131 HA LYS 16 HA LYS 16 -3.855 2.164 -7.210 132 1HB LYS 16 1HB LYS 16 -1.898 1.446 -8.645 133 2HB LYS 16 2HB LYS 16 -2.535 -0.209 -8.555 134 1HG LYS 16 1HG LYS 16 -4.704 0.603 -9.488 135 2HG LYS 16 2HG LYS 16 -4.015 2.233 -9.618 136 1HD LYS 16 1HD LYS 16 -2.241 1.363 -11.129 137 2HD LYS 16 2HD LYS 16 -2.933 -0.267 -11.002 138 1HE LYS 16 1HE LYS 16 -5.064 0.560 -11.989 139 2HE LYS 16 2HE LYS 16 -4.372 2.190 -12.117 140 1HZ LYS 16 1HZ LYS 16 -3.359 -0.211 -13.470 141 2HZ LYS 16 2HZ LYS 16 -4.228 1.002 -14.168 142 3HZ LYS 16 3HZ LYS 16 -2.716 1.302 -13.589 143 H VAL 17 H VAL 17 -3.198 -1.317 -6.308 144 HA VAL 17 HA VAL 17 -5.886 -2.175 -6.593 145 HB VAL 17 HB VAL 17 -3.482 -3.103 -5.005 146 1HG1 VAL 17 1HG1 VAL 17 -5.256 -3.625 -3.467 147 2HG1 VAL 17 2HG1 VAL 17 -4.793 -5.102 -4.313 148 3HG1 VAL 17 3HG1 VAL 17 -6.280 -4.246 -4.790 149 1HG2 VAL 17 1HG2 VAL 17 -5.213 -4.461 -7.114 150 2HG2 VAL 17 2HG2 VAL 17 -3.685 -3.610 -7.447 151 3HG2 VAL 17 3HG2 VAL 17 -3.691 -5.068 -6.438 152 H ILE 18 H ILE 18 -4.173 -0.924 -3.671 153 HA ILE 18 HA ILE 18 -6.359 -1.066 -1.919 154 HB ILE 18 HB ILE 18 -4.044 0.888 -1.991 155 1HG1 ILE 18 1HG1 ILE 18 -4.393 -1.401 -0.060 156 2HG1 ILE 18 2HG1 ILE 18 -3.752 -1.776 -1.664 157 1HG2 ILE 18 1HG2 ILE 18 -5.789 1.903 -0.632 158 2HG2 ILE 18 2HG2 ILE 18 -6.100 0.370 0.204 159 3HG2 ILE 18 3HG2 ILE 18 -4.582 1.243 0.461 160 1HD1 ILE 18 1HD1 ILE 18 -1.867 -0.276 -1.278 161 2HD1 ILE 18 2HD1 ILE 18 -2.024 -1.390 0.088 162 3HD1 ILE 18 3HD1 ILE 18 -2.588 0.288 0.235 163 H TRP 19 H TRP 19 -5.548 1.599 -4.176 164 HA TRP 19 HA TRP 19 -7.798 3.245 -3.386 165 1HB TRP 19 1HB TRP 19 -5.907 3.303 -5.768 166 2HB TRP 19 2HB TRP 19 -7.179 4.489 -5.501 167 HD1 TRP 19 HD1 TRP 19 -6.903 5.316 -2.599 168 HE1 TRP 19 HE1 TRP 19 -4.834 6.712 -1.789 169 HE3 TRP 19 HE3 TRP 19 -3.536 4.156 -6.295 170 HZ2 TRP 19 HZ2 TRP 19 -2.226 7.165 -2.589 171 HZ3 TRP 19 HZ3 TRP 19 -1.291 5.188 -6.282 172 HH2 TRP 19 HH2 TRP 19 -0.656 6.799 -4.457 173 H LYS 20 H LYS 20 -7.349 0.665 -5.803 174 HA LYS 20 HA LYS 20 -9.662 1.313 -7.344 175 1HB LYS 20 1HB LYS 20 -7.847 -0.314 -8.039 176 2HB LYS 20 2HB LYS 20 -8.421 -1.423 -6.805 177 1HG LYS 20 1HG LYS 20 -9.241 -2.061 -8.998 178 2HG LYS 20 2HG LYS 20 -10.555 -1.692 -7.889 179 1HD LYS 20 1HD LYS 20 -11.026 -0.880 -10.117 180 2HD LYS 20 2HD LYS 20 -10.961 0.474 -9.004 181 1HE LYS 20 1HE LYS 20 -8.554 -0.352 -10.709 182 2HE LYS 20 2HE LYS 20 -9.840 0.684 -11.344 183 1HZ LYS 20 1HZ LYS 20 -8.064 1.982 -10.515 184 2HZ LYS 20 2HZ LYS 20 -8.192 1.330 -9.011 185 3HZ LYS 20 3HZ LYS 20 -9.417 2.245 -9.616 186 H HIS 21 H HIS 21 -9.137 -0.811 -4.520 187 HA HIS 21 HA HIS 21 -12.000 -1.310 -4.129 188 1HB HIS 21 1HB HIS 21 -9.584 -1.749 -2.329 189 2HB HIS 21 2HB HIS 21 -11.227 -2.334 -2.016 190 HD2 HIS 21 HD2 HIS 21 -10.788 -4.983 -2.132 191 HE1 HIS 21 HE1 HIS 21 -8.865 -5.082 -5.899 192 HE2 HIS 21 HE2 HIS 21 -9.681 -6.519 -3.957 193 H SER 22 H SER 22 -12.893 -0.623 -1.713 194 HA SER 22 HA SER 22 -12.865 2.282 -1.649 195 1HB SER 22 1HB SER 22 -14.095 1.698 0.582 196 2HB SER 22 2HB SER 22 -14.852 1.190 -0.943 197 HG SER 22 HG SER 22 -14.760 -0.542 0.579 198 H SER 23 H SER 23 -11.787 -0.281 0.513 199 HA SER 23 HA SER 23 -9.176 0.975 0.800 200 1HB SER 23 1HB SER 23 -10.901 0.230 3.217 201 2HB SER 23 2HB SER 23 -9.157 0.500 3.313 202 HG SER 23 HG SER 23 -10.549 2.463 1.950 203 H ILE 24 H ILE 24 -8.180 -1.326 2.446 204 HA ILE 24 HA ILE 24 -9.574 -3.640 1.385 205 HB ILE 24 HB ILE 24 -8.143 -2.890 -0.512 206 1HG1 ILE 24 1HG1 ILE 24 -7.383 -5.641 0.510 207 2HG1 ILE 24 2HG1 ILE 24 -8.958 -5.231 -0.196 208 1HG2 ILE 24 1HG2 ILE 24 -5.791 -3.109 -0.457 209 2HG2 ILE 24 2HG2 ILE 24 -5.804 -3.857 1.157 210 3HG2 ILE 24 3HG2 ILE 24 -6.235 -2.145 0.964 211 1HD1 ILE 24 1HD1 ILE 24 -7.590 -6.172 -1.938 212 2HD1 ILE 24 2HD1 ILE 24 -6.267 -5.057 -1.590 213 3HD1 ILE 24 3HD1 ILE 24 -7.770 -4.437 -2.268 214 H ASN 25 H ASN 25 -8.977 -5.639 2.345 215 HA ASN 25 HA ASN 25 -7.609 -5.342 4.991 216 1HB ASN 25 1HB ASN 25 -8.419 -7.649 5.366 217 2HB ASN 25 2HB ASN 25 -9.728 -6.517 5.356 218 1HD2 ASN 25 1HD2 ASN 25 -11.174 -6.622 3.401 219 2HD2 ASN 25 2HD2 ASN 25 -11.117 -8.035 2.364 220 H THR 26 H THR 26 -6.017 -6.866 5.600 221 HA THR 26 HA THR 26 -3.959 -7.417 3.979 222 HB THR 26 HB THR 26 -4.736 -9.361 6.156 223 HG1 THR 26 HG1 THR 26 -3.977 -6.658 6.583 224 1HG2 THR 26 1HG2 THR 26 -2.186 -7.830 5.451 225 2HG2 THR 26 2HG2 THR 26 -2.378 -8.969 6.804 226 3HG2 THR 26 3HG2 THR 26 -2.514 -9.539 5.126 227 H ASN 27 H ASN 27 -6.711 -9.711 4.512 228 HA ASN 27 HA ASN 27 -5.470 -11.840 3.091 229 1HB ASN 27 1HB ASN 27 -7.390 -12.218 4.565 230 2HB ASN 27 2HB ASN 27 -8.437 -11.291 3.482 231 1HD2 ASN 27 1HD2 ASN 27 -6.172 -14.126 3.428 232 2HD2 ASN 27 2HD2 ASN 27 -7.135 -15.026 2.273 233 H GLU 28 H GLU 28 -7.747 -9.270 1.932 234 HA GLU 28 HA GLU 28 -7.763 -10.313 -0.762 235 1HB GLU 28 1HB GLU 28 -8.718 -7.733 0.525 236 2HB GLU 28 2HB GLU 28 -8.963 -8.112 -1.188 237 1HG GLU 28 1HG GLU 28 -9.938 -9.940 1.048 238 2HG GLU 28 2HG GLU 28 -10.880 -8.666 0.268 239 H VAL 29 H VAL 29 -5.906 -7.771 0.948 240 HA VAL 29 HA VAL 29 -4.738 -6.756 -1.451 241 HB VAL 29 HB VAL 29 -4.710 -5.934 1.121 242 1HG1 VAL 29 1HG1 VAL 29 -1.845 -6.871 0.739 243 2HG1 VAL 29 2HG1 VAL 29 -2.988 -7.569 1.900 244 3HG1 VAL 29 3HG1 VAL 29 -2.521 -5.881 2.044 245 1HG2 VAL 29 1HG2 VAL 29 -3.223 -4.194 0.453 246 2HG2 VAL 29 2HG2 VAL 29 -4.190 -4.628 -0.964 247 3HG2 VAL 29 3HG2 VAL 29 -2.521 -5.202 -0.834 248 H ILE 30 H ILE 30 -3.684 -9.347 0.810 249 HA ILE 30 HA ILE 30 -1.393 -10.067 -0.723 250 HB ILE 30 HB ILE 30 -3.088 -11.661 1.236 251 1HG1 ILE 30 1HG1 ILE 30 -0.294 -10.458 1.493 252 2HG1 ILE 30 2HG1 ILE 30 -1.742 -9.613 2.035 253 1HG2 ILE 30 1HG2 ILE 30 -0.356 -12.375 0.060 254 2HG2 ILE 30 2HG2 ILE 30 -1.876 -13.226 -0.302 255 3HG2 ILE 30 3HG2 ILE 30 -1.209 -13.272 1.325 256 1HD1 ILE 30 1HD1 ILE 30 -2.194 -11.521 3.603 257 2HD1 ILE 30 2HD1 ILE 30 -0.608 -12.200 3.151 258 3HD1 ILE 30 3HD1 ILE 30 -0.695 -10.616 3.921 259 H LYS 31 H LYS 31 -4.779 -11.291 -0.818 260 HA LYS 31 HA LYS 31 -4.510 -13.200 -2.786 261 1HB LYS 31 1HB LYS 31 -6.620 -12.259 -1.448 262 2HB LYS 31 2HB LYS 31 -6.868 -11.298 -2.880 263 1HG LYS 31 1HG LYS 31 -8.179 -13.209 -3.190 264 2HG LYS 31 2HG LYS 31 -6.776 -13.458 -4.223 265 1HD LYS 31 1HD LYS 31 -7.391 -15.515 -3.001 266 2HD LYS 31 2HD LYS 31 -5.764 -14.978 -2.576 267 1HE LYS 31 1HE LYS 31 -7.161 -15.790 -0.635 268 2HE LYS 31 2HE LYS 31 -6.492 -14.176 -0.413 269 1HZ LYS 31 1HZ LYS 31 -8.757 -14.233 0.244 270 2HZ LYS 31 2HZ LYS 31 -9.248 -14.807 -1.225 271 3HZ LYS 31 3HZ LYS 31 -8.634 -13.284 -1.084 272 H GLU 32 H GLU 32 -5.404 -9.770 -3.408 273 HA GLU 32 HA GLU 32 -5.349 -9.880 -6.212 274 1HB GLU 32 1HB GLU 32 -5.087 -7.635 -4.188 275 2HB GLU 32 2HB GLU 32 -4.724 -7.327 -5.882 276 1HG GLU 32 1HG GLU 32 -6.988 -6.722 -5.472 277 2HG GLU 32 2HG GLU 32 -6.916 -8.068 -6.606 278 H LEU 33 H LEU 33 -2.593 -8.602 -4.055 279 HA LEU 33 HA LEU 33 -1.011 -8.233 -6.334 280 1HB LEU 33 1HB LEU 33 -0.654 -8.258 -3.313 281 2HB LEU 33 2HB LEU 33 0.670 -8.156 -4.411 282 HG LEU 33 HG LEU 33 0.275 -5.955 -3.834 283 1HD1 LEU 33 1HD1 LEU 33 -1.217 -6.114 -6.485 284 2HD1 LEU 33 2HD1 LEU 33 0.546 -6.328 -6.330 285 3HD1 LEU 33 3HD1 LEU 33 -0.229 -4.802 -5.883 286 1HD2 LEU 33 1HD2 LEU 33 -1.895 -6.167 -2.810 287 2HD2 LEU 33 2HD2 LEU 33 -2.684 -6.328 -4.396 288 3HD2 LEU 33 3HD2 LEU 33 -1.898 -4.810 -3.934 289 H SER 34 H SER 34 -1.424 -11.093 -4.218 290 HA SER 34 HA SER 34 0.882 -12.440 -5.320 291 1HB SER 34 1HB SER 34 -1.621 -13.653 -4.097 292 2HB SER 34 2HB SER 34 -0.067 -14.462 -4.391 293 HG SER 34 HG SER 34 -0.576 -12.278 -2.659 294 H LYS 35 H LYS 35 -2.584 -12.199 -6.293 295 HA LYS 35 HA LYS 35 -2.433 -14.173 -8.375 296 1HB LYS 35 1HB LYS 35 -4.248 -11.784 -7.885 297 2HB LYS 35 2HB LYS 35 -4.406 -12.824 -9.303 298 1HG LYS 35 1HG LYS 35 -4.949 -14.743 -8.018 299 2HG LYS 35 2HG LYS 35 -4.381 -14.014 -6.515 300 1HD LYS 35 1HD LYS 35 -6.831 -14.064 -6.590 301 2HD LYS 35 2HD LYS 35 -6.218 -12.401 -6.514 302 1HE LYS 35 1HE LYS 35 -6.612 -12.125 -8.941 303 2HE LYS 35 2HE LYS 35 -7.154 -13.812 -9.058 304 1HZ LYS 35 1HZ LYS 35 -8.425 -11.696 -7.462 305 2HZ LYS 35 2HZ LYS 35 -8.969 -12.276 -8.905 306 3HZ LYS 35 3HZ LYS 35 -8.948 -13.255 -7.581 307 H THR 36 H THR 36 -2.027 -10.564 -8.428 308 HA THR 36 HA THR 36 -1.545 -10.554 -11.277 309 HB THR 36 HB THR 36 -0.879 -8.209 -10.899 310 HG1 THR 36 HG1 THR 36 0.143 -8.345 -8.906 311 1HG2 THR 36 1HG2 THR 36 -3.382 -9.010 -9.334 312 2HG2 THR 36 2HG2 THR 36 -3.024 -7.411 -10.003 313 3HG2 THR 36 3HG2 THR 36 -3.279 -8.793 -11.089 314 H SER 37 H SER 37 0.576 -10.499 -8.410 315 HA SER 37 HA SER 37 2.983 -10.529 -10.173 316 1HB SER 37 1HB SER 37 2.703 -9.311 -7.412 317 2HB SER 37 2HB SER 37 3.935 -8.982 -8.650 318 HG SER 37 HG SER 37 2.336 -7.322 -8.641 319 H THR 38 H THR 38 4.444 -12.182 -9.811 320 HA THR 38 HA THR 38 3.807 -14.312 -7.985 321 HB THR 38 HB THR 38 6.002 -15.181 -8.900 322 HG1 THR 38 HG1 THR 38 6.939 -13.147 -9.205 323 1HG2 THR 38 1HG2 THR 38 3.858 -15.638 -10.079 324 2HG2 THR 38 2HG2 THR 38 5.213 -15.453 -11.209 325 3HG2 THR 38 3HG2 THR 38 4.045 -14.135 -11.008 326 H TRP 39 H TRP 39 3.748 -12.812 -6.098 327 HA TRP 39 HA TRP 39 6.401 -12.485 -4.743 328 1HB TRP 39 1HB TRP 39 3.791 -10.929 -4.487 329 2HB TRP 39 2HB TRP 39 5.216 -10.666 -3.521 330 HD1 TRP 39 HD1 TRP 39 7.062 -10.835 -6.418 331 HE1 TRP 39 HE1 TRP 39 7.305 -8.563 -7.617 332 HE3 TRP 39 HE3 TRP 39 3.094 -8.374 -4.349 333 HZ2 TRP 39 HZ2 TRP 39 6.040 -5.970 -7.542 334 HZ3 TRP 39 HZ3 TRP 39 2.757 -5.960 -4.775 335 HH2 TRP 39 HH2 TRP 39 4.274 -4.756 -6.299 336 H SER 40 H SER 40 6.165 -12.705 -2.293 337 HA SER 40 HA SER 40 4.311 -14.977 -1.712 338 1HB SER 40 1HB SER 40 5.847 -15.579 0.032 339 2HB SER 40 2HB SER 40 6.790 -15.309 -1.437 340 HG SER 40 HG SER 40 7.286 -13.218 -0.628 341 HA PRO 41 HA PRO 41 1.999 -12.517 1.251 342 1HB PRO 41 1HB PRO 41 2.803 -14.669 3.241 343 2HB PRO 41 2HB PRO 41 1.198 -13.910 3.050 344 1HG PRO 41 1HG PRO 41 1.523 -16.249 1.994 345 2HG PRO 41 2HG PRO 41 0.834 -14.978 0.949 346 1HD PRO 41 1HD PRO 41 3.707 -15.949 0.981 347 2HD PRO 41 2HD PRO 41 2.630 -15.636 -0.418 348 H LYS 42 H LYS 42 5.224 -13.781 2.209 349 HA LYS 42 HA LYS 42 5.743 -11.871 4.279 350 1HB LYS 42 1HB LYS 42 7.003 -13.989 3.950 351 2HB LYS 42 2HB LYS 42 7.688 -13.333 2.451 352 1HG LYS 42 1HG LYS 42 8.789 -11.515 3.738 353 2HG LYS 42 2HG LYS 42 7.989 -12.068 5.214 354 1HD LYS 42 1HD LYS 42 10.277 -12.822 5.222 355 2HD LYS 42 2HD LYS 42 9.209 -14.227 5.084 356 1HE LYS 42 1HE LYS 42 9.680 -14.380 2.661 357 2HE LYS 42 2HE LYS 42 10.633 -12.883 2.731 358 1HZ LYS 42 1HZ LYS 42 11.262 -15.390 4.122 359 2HZ LYS 42 2HZ LYS 42 12.156 -14.006 4.183 360 3HZ LYS 42 3HZ LYS 42 11.999 -14.825 2.761 361 H THR 43 H THR 43 6.454 -11.964 0.738 362 HA THR 43 HA THR 43 7.767 -9.487 0.494 363 HB THR 43 HB THR 43 5.766 -10.609 -1.484 364 HG1 THR 43 HG1 THR 43 8.465 -11.385 -1.185 365 1HG2 THR 43 1HG2 THR 43 6.649 -8.484 -2.182 366 2HG2 THR 43 2HG2 THR 43 8.319 -9.020 -1.880 367 3HG2 THR 43 3HG2 THR 43 7.365 -9.756 -3.182 368 H ILE 44 H ILE 44 4.255 -10.270 0.234 369 HA ILE 44 HA ILE 44 3.351 -7.626 -0.221 370 HB ILE 44 HB ILE 44 1.869 -9.787 1.312 371 1HG1 ILE 44 1HG1 ILE 44 2.424 -10.813 -0.759 372 2HG1 ILE 44 2HG1 ILE 44 0.769 -10.289 -0.881 373 1HG2 ILE 44 1HG2 ILE 44 -0.131 -8.502 0.330 374 2HG2 ILE 44 2HG2 ILE 44 0.760 -7.694 1.616 375 3HG2 ILE 44 3HG2 ILE 44 1.009 -7.216 -0.073 376 1HD1 ILE 44 1HD1 ILE 44 1.869 -9.806 -2.941 377 2HD1 ILE 44 2HD1 ILE 44 1.576 -8.244 -2.140 378 3HD1 ILE 44 3HD1 ILE 44 3.203 -8.971 -2.122 379 H GLN 45 H GLN 45 3.627 -9.383 2.906 380 HA GLN 45 HA GLN 45 2.743 -7.177 4.475 381 1HB GLN 45 1HB GLN 45 4.384 -9.623 5.143 382 2HB GLN 45 2HB GLN 45 3.761 -8.483 6.353 383 1HG GLN 45 1HG GLN 45 1.455 -8.874 5.690 384 2HG GLN 45 2HG GLN 45 1.918 -9.845 4.304 385 1HE2 GLN 45 1HE2 GLN 45 3.237 -11.788 4.719 386 2HE2 GLN 45 2HE2 GLN 45 2.838 -12.759 6.147 387 H THR 46 H THR 46 6.006 -8.054 3.337 388 HA THR 46 HA THR 46 7.378 -6.025 4.811 389 HB THR 46 HB THR 46 8.097 -7.161 2.072 390 HG1 THR 46 HG1 THR 46 7.821 -8.776 3.656 391 1HG2 THR 46 1HG2 THR 46 10.411 -6.640 2.778 392 2HG2 THR 46 2HG2 THR 46 9.435 -5.163 2.674 393 3HG2 THR 46 3HG2 THR 46 9.796 -5.881 4.260 394 H MET 47 H MET 47 5.912 -6.014 1.496 395 HA MET 47 HA MET 47 6.546 -3.313 0.891 396 1HB MET 47 1HB MET 47 4.322 -5.149 -0.072 397 2HB MET 47 2HB MET 47 4.574 -3.514 -0.706 398 1HG MET 47 1HG MET 47 6.807 -4.036 -1.430 399 2HG MET 47 2HG MET 47 6.766 -5.624 -0.659 400 1HE MET 47 1HE MET 47 7.871 -6.267 -2.946 401 2HE MET 47 2HE MET 47 6.999 -6.325 -4.492 402 3HE MET 47 3HE MET 47 7.506 -4.759 -3.824 403 H LEU 48 H LEU 48 3.565 -4.676 2.393 404 HA LEU 48 HA LEU 48 2.172 -2.267 2.817 405 1HB LEU 48 1HB LEU 48 2.393 -4.783 4.520 406 2HB LEU 48 2HB LEU 48 1.322 -3.456 4.945 407 HG LEU 48 HG LEU 48 1.122 -4.951 2.295 408 1HD1 LEU 48 1HD1 LEU 48 0.719 -6.544 4.089 409 2HD1 LEU 48 2HD1 LEU 48 -0.847 -6.065 3.459 410 3HD1 LEU 48 3HD1 LEU 48 -0.259 -5.372 4.982 411 1HD2 LEU 48 1HD2 LEU 48 0.060 -2.729 2.253 412 2HD2 LEU 48 2HD2 LEU 48 -0.723 -3.053 3.811 413 3HD2 LEU 48 3HD2 LEU 48 -1.194 -3.968 2.369 414 H LEU 49 H LEU 49 4.507 -3.874 5.044 415 HA LEU 49 HA LEU 49 4.522 -1.907 7.012 416 1HB LEU 49 1HB LEU 49 5.503 -4.123 7.232 417 2HB LEU 49 2HB LEU 49 6.782 -3.737 6.091 418 HG LEU 49 HG LEU 49 7.398 -3.786 8.500 419 1HD1 LEU 49 1HD1 LEU 49 8.021 -1.066 7.300 420 2HD1 LEU 49 2HD1 LEU 49 8.773 -2.590 6.777 421 3HD1 LEU 49 3HD1 LEU 49 8.966 -2.019 8.442 422 1HD2 LEU 49 1HD2 LEU 49 5.367 -2.672 9.398 423 2HD2 LEU 49 2HD2 LEU 49 5.937 -1.126 8.726 424 3HD2 LEU 49 3HD2 LEU 49 6.881 -1.950 9.978 425 H ARG 50 H ARG 50 6.666 -2.134 4.094 426 HA ARG 50 HA ARG 50 8.122 0.232 4.649 427 1HB ARG 50 1HB ARG 50 7.479 -1.174 2.030 428 2HB ARG 50 2HB ARG 50 8.615 0.163 2.175 429 1HG ARG 50 1HG ARG 50 8.904 -2.464 3.682 430 2HG ARG 50 2HG ARG 50 9.687 -2.085 2.147 431 1HD ARG 50 1HD ARG 50 10.782 -0.083 3.328 432 2HD ARG 50 2HD ARG 50 10.100 -0.707 4.834 433 HE ARG 50 HE ARG 50 11.642 -2.354 4.936 434 1HH1 ARG 50 1HH1 ARG 50 11.679 -1.048 1.656 435 2HH1 ARG 50 2HH1 ARG 50 13.145 -1.867 1.190 436 1HH2 ARG 50 1HH2 ARG 50 13.541 -3.451 4.342 437 2HH2 ARG 50 2HH2 ARG 50 14.211 -3.274 2.745 438 H LEU 51 H LEU 51 5.020 -0.109 2.651 439 HA LEU 51 HA LEU 51 4.967 2.586 1.896 440 1HB LEU 51 1HB LEU 51 2.826 0.486 2.418 441 2HB LEU 51 2HB LEU 51 2.570 1.953 1.619 442 HG LEU 51 HG LEU 51 4.567 -0.005 0.483 443 1HD1 LEU 51 1HD1 LEU 51 2.794 -0.647 -1.083 444 2HD1 LEU 51 2HD1 LEU 51 1.634 0.400 -0.239 445 3HD1 LEU 51 3HD1 LEU 51 2.306 -1.030 0.577 446 1HD2 LEU 51 1HD2 LEU 51 4.928 2.229 -0.346 447 2HD2 LEU 51 2HD2 LEU 51 4.028 1.346 -1.590 448 3HD2 LEU 51 3HD2 LEU 51 3.181 2.493 -0.545 449 H ILE 52 H ILE 52 3.582 0.854 4.753 450 HA ILE 52 HA ILE 52 2.329 3.107 5.942 451 HB ILE 52 HB ILE 52 3.533 0.589 7.143 452 1HG1 ILE 52 1HG1 ILE 52 0.601 1.308 6.870 453 2HG1 ILE 52 2HG1 ILE 52 1.461 0.564 5.526 454 1HG2 ILE 52 1HG2 ILE 52 2.190 1.127 9.183 455 2HG2 ILE 52 2HG2 ILE 52 3.475 2.296 8.912 456 3HG2 ILE 52 3HG2 ILE 52 1.802 2.712 8.484 457 1HD1 ILE 52 1HD1 ILE 52 0.310 -1.138 6.825 458 2HD1 ILE 52 2HD1 ILE 52 2.063 -1.374 6.923 459 3HD1 ILE 52 3HD1 ILE 52 1.186 -0.679 8.294 460 H LYS 53 H LYS 53 5.660 1.815 6.386 461 HA LYS 53 HA LYS 53 6.616 3.725 8.191 462 1HB LYS 53 1HB LYS 53 7.735 1.598 7.450 463 2HB LYS 53 2HB LYS 53 8.188 2.424 5.949 464 1HG LYS 53 1HG LYS 53 9.448 4.120 7.312 465 2HG LYS 53 2HG LYS 53 8.947 3.270 8.777 466 1HD LYS 53 1HD LYS 53 11.188 2.586 8.290 467 2HD LYS 53 2HD LYS 53 10.126 1.208 7.967 468 1HE LYS 53 1HE LYS 53 10.237 1.721 5.517 469 2HE LYS 53 2HE LYS 53 11.259 3.126 5.865 470 1HZ LYS 53 1HZ LYS 53 12.524 1.226 5.202 471 2HZ LYS 53 2HZ LYS 53 11.926 0.325 6.443 472 3HZ LYS 53 3HZ LYS 53 12.887 1.626 6.758 473 H LYS 54 H LYS 54 6.478 3.897 4.600 474 HA LYS 54 HA LYS 54 7.642 6.584 4.557 475 1HB LYS 54 1HB LYS 54 6.298 4.928 2.403 476 2HB LYS 54 2HB LYS 54 7.131 6.474 2.147 477 1HG LYS 54 1HG LYS 54 9.220 5.464 3.119 478 2HG LYS 54 2HG LYS 54 8.437 3.898 3.118 479 1HD LYS 54 1HD LYS 54 8.971 5.686 0.691 480 2HD LYS 54 2HD LYS 54 9.862 4.225 1.120 481 1HE LYS 54 1HE LYS 54 6.927 4.355 0.287 482 2HE LYS 54 2HE LYS 54 8.284 3.772 -0.690 483 1HZ LYS 54 1HZ LYS 54 7.379 2.576 1.831 484 2HZ LYS 54 2HZ LYS 54 7.074 1.989 0.318 485 3HZ LYS 54 3HZ LYS 54 8.619 2.034 0.881 486 H GLY 55 H GLY 55 4.787 5.845 5.898 487 1HA GLY 55 1HA GLY 55 2.969 7.087 6.392 488 2HA GLY 55 2HA GLY 55 3.732 8.475 5.601 489 H ALA 56 H ALA 56 3.195 5.474 3.820 490 HA ALA 56 HA ALA 56 1.591 6.863 1.859 491 1HB ALA 56 1HB ALA 56 1.572 4.667 0.716 492 2HB ALA 56 2HB ALA 56 3.219 5.045 1.279 493 3HB ALA 56 3HB ALA 56 2.193 3.919 2.182 494 H LEU 57 H LEU 57 1.002 4.256 4.254 495 HA LEU 57 HA LEU 57 -1.950 4.559 3.892 496 1HB LEU 57 1HB LEU 57 -0.515 1.970 4.435 497 2HB LEU 57 2HB LEU 57 -2.206 2.199 3.985 498 HG LEU 57 HG LEU 57 0.203 2.683 2.152 499 1HD1 LEU 57 1HD1 LEU 57 0.001 0.356 2.823 500 2HD1 LEU 57 2HD1 LEU 57 -1.708 0.344 2.351 501 3HD1 LEU 57 3HD1 LEU 57 -0.435 0.567 1.121 502 1HD2 LEU 57 1HD2 LEU 57 -2.781 2.601 1.514 503 2HD2 LEU 57 2HD2 LEU 57 -1.483 2.653 0.310 504 3HD2 LEU 57 3HD2 LEU 57 -1.719 4.022 1.379 505 H ASN 58 H ASN 58 -3.187 4.330 5.699 506 HA ASN 58 HA ASN 58 -1.848 4.145 8.372 507 1HB ASN 58 1HB ASN 58 -2.873 6.316 8.062 508 2HB ASN 58 2HB ASN 58 -4.345 5.607 7.391 509 1HD2 ASN 58 1HD2 ASN 58 -5.671 4.188 8.819 510 2HD2 ASN 58 2HD2 ASN 58 -5.635 4.480 10.555 511 H HIS 59 H HIS 59 -2.322 2.147 9.301 512 HA HIS 59 HA HIS 59 -4.556 0.609 8.123 513 1HB HIS 59 1HB HIS 59 -3.577 -1.367 9.011 514 2HB HIS 59 2HB HIS 59 -2.402 -0.473 8.058 515 HD2 HIS 59 HD2 HIS 59 -0.307 0.729 9.516 516 HE1 HIS 59 HE1 HIS 59 -1.167 -1.319 13.118 517 HE2 HIS 59 HE2 HIS 59 0.549 0.146 11.935 518 H HIS 60 H HIS 60 -5.869 -0.676 9.404 519 HA HIS 60 HA HIS 60 -6.384 0.209 12.223 520 1HB HIS 60 1HB HIS 60 -8.505 -0.468 10.137 521 2HB HIS 60 2HB HIS 60 -8.764 0.129 11.777 522 HD2 HIS 60 HD2 HIS 60 -7.402 1.419 8.303 523 HE1 HIS 60 HE1 HIS 60 -8.763 4.722 10.566 524 HE2 HIS 60 HE2 HIS 60 -7.844 3.987 8.282 525 H LYS 61 H LYS 61 -6.428 -1.651 13.561 526 HA LYS 61 HA LYS 61 -6.208 -4.283 12.246 527 1HB LYS 61 1HB LYS 61 -6.092 -3.496 15.177 528 2HB LYS 61 2HB LYS 61 -5.801 -5.110 14.500 529 1HG LYS 61 1HG LYS 61 -3.971 -4.090 13.065 530 2HG LYS 61 2HG LYS 61 -4.161 -2.585 13.981 531 1HD LYS 61 1HD LYS 61 -3.704 -3.862 16.097 532 2HD LYS 61 2HD LYS 61 -3.429 -5.323 15.136 533 1HE LYS 61 1HE LYS 61 -1.818 -2.731 14.996 534 2HE LYS 61 2HE LYS 61 -1.299 -4.252 15.735 535 1HZ LYS 61 1HZ LYS 61 -1.447 -5.277 13.566 536 2HZ LYS 61 2HZ LYS 61 -1.862 -3.836 12.882 537 3HZ LYS 61 3HZ LYS 61 -0.381 -4.022 13.573 538 H GLU 62 H GLU 62 -7.981 -5.494 11.777 539 HA GLU 62 HA GLU 62 -10.496 -5.017 13.333 540 1HB GLU 62 1HB GLU 62 -10.173 -5.451 10.345 541 2HB GLU 62 2HB GLU 62 -11.699 -5.391 11.244 542 1HG GLU 62 1HG GLU 62 -11.071 -3.073 12.055 543 2HG GLU 62 2HG GLU 62 -9.651 -3.131 11.000 544 H GLY 63 H GLY 63 -9.664 -6.705 14.667 545 1HA GLY 63 1HA GLY 63 -9.998 -8.765 15.542 546 2HA GLY 63 2HA GLY 63 -11.085 -9.108 14.197 547 H ARG 64 H ARG 64 -9.826 -9.536 12.063 548 HA ARG 64 HA ARG 64 -7.729 -11.626 12.617 549 1HB ARG 64 1HB ARG 64 -9.759 -11.564 10.375 550 2HB ARG 64 2HB ARG 64 -8.604 -12.861 10.735 551 1HG ARG 64 1HG ARG 64 -10.887 -12.142 12.589 552 2HG ARG 64 2HG ARG 64 -10.888 -13.409 11.358 553 1HD ARG 64 1HD ARG 64 -10.296 -14.539 13.291 554 2HD ARG 64 2HD ARG 64 -8.763 -14.351 12.449 555 HE ARG 64 HE ARG 64 -9.153 -12.123 14.185 556 1HH1 ARG 64 1HH1 ARG 64 -8.414 -15.560 14.461 557 2HH1 ARG 64 2HH1 ARG 64 -7.285 -15.335 15.772 558 1HH2 ARG 64 1HH2 ARG 64 -7.690 -11.789 15.728 559 2HH2 ARG 64 2HH2 ARG 64 -6.898 -13.105 16.580 560 H VAL 65 H VAL 65 -8.839 -9.179 10.210 561 HA VAL 65 HA VAL 65 -6.102 -9.208 9.022 562 HB VAL 65 HB VAL 65 -7.153 -8.143 7.134 563 1HG1 VAL 65 1HG1 VAL 65 -8.503 -9.947 6.251 564 2HG1 VAL 65 2HG1 VAL 65 -8.791 -10.591 7.876 565 3HG1 VAL 65 3HG1 VAL 65 -7.148 -10.605 7.185 566 1HG2 VAL 65 1HG2 VAL 65 -8.958 -6.823 8.056 567 2HG2 VAL 65 2HG2 VAL 65 -9.730 -8.225 8.814 568 3HG2 VAL 65 3HG2 VAL 65 -9.764 -8.062 7.079 569 H PHE 66 H PHE 66 -5.504 -6.926 8.240 570 HA PHE 66 HA PHE 66 -6.582 -4.845 10.028 571 1HB PHE 66 1HB PHE 66 -4.469 -3.775 10.265 572 2HB PHE 66 2HB PHE 66 -4.519 -5.352 11.034 573 HD1 PHE 66 HD1 PHE 66 -2.311 -3.266 9.581 574 HD2 PHE 66 HD2 PHE 66 -3.567 -7.388 9.480 575 HE1 PHE 66 HE1 PHE 66 -0.013 -3.955 9.001 576 HE2 PHE 66 HE2 PHE 66 -1.280 -8.064 8.858 577 HZ PHE 66 HZ PHE 66 0.506 -6.356 8.599 578 H VAL 67 H VAL 67 -7.396 -3.226 8.950 579 HA VAL 67 HA VAL 67 -7.430 -3.456 6.018 580 HB VAL 67 HB VAL 67 -9.092 -1.831 7.972 581 1HG1 VAL 67 1HG1 VAL 67 -9.397 -2.117 4.950 582 2HG1 VAL 67 2HG1 VAL 67 -10.567 -1.353 6.042 583 3HG1 VAL 67 3HG1 VAL 67 -8.973 -0.626 5.823 584 1HG2 VAL 67 1HG2 VAL 67 -9.693 -4.311 6.293 585 2HG2 VAL 67 2HG2 VAL 67 -9.571 -4.250 8.063 586 3HG2 VAL 67 3HG2 VAL 67 -10.895 -3.416 7.233 587 H TYR 68 H TYR 68 -6.467 -2.011 4.672 588 HA TYR 68 HA TYR 68 -4.807 0.127 5.946 589 1HB TYR 68 1HB TYR 68 -4.736 -0.822 3.071 590 2HB TYR 68 2HB TYR 68 -3.547 0.143 3.940 591 HD1 TYR 68 HD1 TYR 68 -2.265 -0.971 5.874 592 HD2 TYR 68 HD2 TYR 68 -4.669 -3.178 3.073 593 HE1 TYR 68 HE1 TYR 68 -1.573 -3.089 6.953 594 HE2 TYR 68 HE2 TYR 68 -3.960 -5.281 4.118 595 HH TYR 68 HH TYR 68 -2.135 -5.368 7.177 596 H THR 69 H THR 69 -5.660 2.146 5.946 597 HA THR 69 HA THR 69 -7.530 2.932 3.750 598 HB THR 69 HB THR 69 -7.868 4.951 5.080 599 HG1 THR 69 HG1 THR 69 -5.925 4.041 6.555 600 1HG2 THR 69 1HG2 THR 69 -8.691 2.307 6.367 601 2HG2 THR 69 2HG2 THR 69 -9.461 3.881 6.682 602 3HG2 THR 69 3HG2 THR 69 -9.536 3.167 5.068 603 HA PRO 70 HA PRO 70 -3.616 4.550 2.374 604 1HB PRO 70 1HB PRO 70 -4.295 5.751 0.043 605 2HB PRO 70 2HB PRO 70 -4.271 3.979 0.242 606 1HG PRO 70 1HG PRO 70 -6.603 5.827 0.423 607 2HG PRO 70 2HG PRO 70 -6.564 4.255 -0.441 608 1HD PRO 70 1HD PRO 70 -7.647 4.580 2.057 609 2HD PRO 70 2HD PRO 70 -6.846 3.062 1.602 610 H ASN 71 H ASN 71 -2.522 6.317 3.077 611 HA ASN 71 HA ASN 71 -4.019 8.557 4.249 612 1HB ASN 71 1HB ASN 71 -2.182 7.614 5.514 613 2HB ASN 71 2HB ASN 71 -1.071 7.814 4.155 614 1HD2 ASN 71 1HD2 ASN 71 0.358 9.439 4.492 615 2HD2 ASN 71 2HD2 ASN 71 -0.074 10.975 5.239 616 H ILE 72 H ILE 72 -2.138 7.783 1.378 617 HA ILE 72 HA ILE 72 -2.356 10.603 0.452 618 HB ILE 72 HB ILE 72 -0.447 10.408 -0.728 619 1HG1 ILE 72 1HG1 ILE 72 -0.588 8.511 -2.056 620 2HG1 ILE 72 2HG1 ILE 72 0.889 8.345 -1.117 621 1HG2 ILE 72 1HG2 ILE 72 0.165 8.688 1.699 622 2HG2 ILE 72 2HG2 ILE 72 -0.034 10.452 1.694 623 3HG2 ILE 72 3HG2 ILE 72 1.292 9.706 0.792 624 1HD1 ILE 72 1HD1 ILE 72 0.066 6.659 0.246 625 2HD1 ILE 72 2HD1 ILE 72 -0.347 6.230 -1.403 626 3HD1 ILE 72 3HD1 ILE 72 -1.608 6.825 -0.321 627 H ASP 73 H ASP 73 -2.611 10.831 -1.915 628 HA ASP 73 HA ASP 73 -4.614 8.908 -3.044 629 1HB ASP 73 1HB ASP 73 -5.720 10.979 -2.444 630 2HB ASP 73 2HB ASP 73 -4.441 11.951 -3.191 631 H GLU 74 H GLU 74 -4.483 8.755 -5.358 632 HA GLU 74 HA GLU 74 -2.123 8.250 -6.609 633 1HB GLU 74 1HB GLU 74 -4.535 9.606 -7.939 634 2HB GLU 74 2HB GLU 74 -3.230 8.735 -8.744 635 1HG GLU 74 1HG GLU 74 -4.884 7.175 -8.718 636 2HG GLU 74 2HG GLU 74 -3.951 6.689 -7.302 637 H SER 75 H SER 75 -3.780 11.404 -6.721 638 HA SER 75 HA SER 75 -1.963 12.839 -8.269 639 1HB SER 75 1HB SER 75 -3.522 14.050 -5.953 640 2HB SER 75 2HB SER 75 -3.109 14.779 -7.514 641 HG SER 75 HG SER 75 -5.061 12.835 -6.885 642 H ASP 76 H ASP 76 -1.507 11.861 -4.934 643 HA ASP 76 HA ASP 76 0.406 13.953 -4.272 644 1HB ASP 76 1HB ASP 76 -0.952 12.706 -2.578 645 2HB ASP 76 2HB ASP 76 -0.067 11.226 -3.005 646 H TYR 77 H TYR 77 0.504 10.956 -6.117 647 HA TYR 77 HA TYR 77 3.282 10.403 -5.548 648 1HB TYR 77 1HB TYR 77 1.630 8.639 -6.019 649 2HB TYR 77 2HB TYR 77 1.452 9.246 -7.666 650 HD1 TYR 77 HD1 TYR 77 4.256 8.292 -5.306 651 HD2 TYR 77 HD2 TYR 77 2.696 8.124 -9.326 652 HE1 TYR 77 HE1 TYR 77 6.325 7.209 -6.073 653 HE2 TYR 77 HE2 TYR 77 4.728 6.909 -10.055 654 HH TYR 77 HH TYR 77 7.424 6.189 -7.825 655 H ILE 78 H ILE 78 3.669 12.797 -6.112 656 HA ILE 78 HA ILE 78 4.829 12.933 -8.876 657 HB ILE 78 HB ILE 78 4.275 15.222 -6.926 658 1HG1 ILE 78 1HG1 ILE 78 2.624 14.097 -9.212 659 2HG1 ILE 78 2HG1 ILE 78 2.152 14.327 -7.527 660 1HG2 ILE 78 1HG2 ILE 78 4.802 16.638 -8.844 661 2HG2 ILE 78 2HG2 ILE 78 6.133 15.508 -8.608 662 3HG2 ILE 78 3HG2 ILE 78 4.955 15.217 -9.903 663 1HD1 ILE 78 1HD1 ILE 78 2.350 16.803 -7.812 664 2HD1 ILE 78 2HD1 ILE 78 2.607 16.538 -9.557 665 3HD1 ILE 78 3HD1 ILE 78 1.087 16.042 -8.799 666 H GLU 79 H GLU 79 6.818 11.873 -8.505 667 HA GLU 79 HA GLU 79 7.922 11.722 -5.930 668 1HB GLU 79 1HB GLU 79 9.283 11.137 -8.590 669 2HB GLU 79 2HB GLU 79 9.690 10.533 -6.990 670 1HG GLU 79 1HG GLU 79 8.503 8.724 -7.669 671 2HG GLU 79 2HG GLU 79 7.134 9.660 -7.064 672 H VAL 80 H VAL 80 8.403 13.683 -5.032 673 HA VAL 80 HA VAL 80 10.769 15.153 -6.041 674 HB VAL 80 HB VAL 80 9.970 16.961 -4.580 675 1HG1 VAL 80 1HG1 VAL 80 7.917 16.106 -6.665 676 2HG1 VAL 80 2HG1 VAL 80 8.175 17.752 -6.056 677 3HG1 VAL 80 3HG1 VAL 80 9.444 16.950 -7.000 678 1HG2 VAL 80 1HG2 VAL 80 7.361 15.429 -4.298 679 2HG2 VAL 80 2HG2 VAL 80 8.555 15.640 -2.999 680 3HG2 VAL 80 3HG2 VAL 80 7.728 17.045 -3.683 681 H LYS 81 H LYS 81 12.403 15.613 -4.524 682 HA LYS 81 HA LYS 81 12.879 13.526 -2.564 683 1HB LYS 81 1HB LYS 81 14.932 14.867 -2.092 684 2HB LYS 81 2HB LYS 81 14.773 14.257 -3.731 685 1HG LYS 81 1HG LYS 81 14.383 16.323 -4.688 686 2HG LYS 81 2HG LYS 81 13.839 17.093 -3.194 687 1HD LYS 81 1HD LYS 81 16.690 16.088 -3.356 688 2HD LYS 81 2HD LYS 81 16.247 17.554 -4.232 689 1HE LYS 81 1HE LYS 81 17.133 18.100 -2.004 690 2HE LYS 81 2HE LYS 81 15.466 18.657 -2.215 691 1HZ LYS 81 1HZ LYS 81 16.266 16.217 -0.792 692 2HZ LYS 81 2HZ LYS 81 15.816 17.641 -0.092 693 3HZ LYS 81 3HZ LYS 81 14.724 16.776 -0.971 694 H SER 82 H SER 82 10.923 13.873 -1.297 695 HA SER 82 HA SER 82 11.468 15.639 0.996 696 1HB SER 82 1HB SER 82 8.869 15.792 -0.579 697 2HB SER 82 2HB SER 82 9.243 16.607 0.952 698 HG SER 82 HG SER 82 11.205 17.205 -0.702
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