NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
10322 | 1pjw | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ASP 1 1HT ASP 1 19.519 8.825 6.062 2 2H ASP 1 2HT ASP 1 18.804 9.735 7.307 3 3H ASP 1 3HT ASP 1 18.161 8.222 6.879 4 HA ASP 1 HA ASP 1 20.253 7.152 7.613 5 1HB ASP 1 2HB ASP 1 21.046 9.849 7.393 6 2HB ASP 1 1HB ASP 1 21.139 9.471 9.114 7 H LYS 2 H LYS 2 18.938 9.924 9.476 8 HA LYS 2 HA LYS 2 18.201 8.001 11.649 9 1HB LYS 2 2HB LYS 2 18.738 10.984 11.550 10 2HB LYS 2 1HB LYS 2 18.173 10.149 12.999 11 1HG LYS 2 2HG LYS 2 20.508 8.916 11.657 12 2HG LYS 2 1HG LYS 2 20.804 10.492 12.393 13 1HD LYS 2 2HD LYS 2 19.496 9.458 14.433 14 2HD LYS 2 1HD LYS 2 19.964 7.924 13.697 15 1HE LYS 2 2HE LYS 2 21.640 8.732 15.382 16 2HE LYS 2 1HE LYS 2 22.336 8.599 13.755 17 1HZ LYS 2 1HZ LYS 2 20.996 11.100 14.457 18 2HZ LYS 2 2HZ LYS 2 22.348 10.838 13.462 19 3HZ LYS 2 3HZ LYS 2 22.518 10.821 15.153 20 H LEU 3 H LEU 3 16.037 7.707 12.095 21 HA LEU 3 HA LEU 3 14.086 9.666 10.928 22 1HB LEU 3 2HB LEU 3 13.732 6.663 11.119 23 2HB LEU 3 1HB LEU 3 12.761 7.804 10.187 24 HG LEU 3 HG LEU 3 15.176 8.339 9.124 25 1HD1 LEU 3 1HD1 LEU 3 16.075 5.865 8.761 26 2HD1 LEU 3 2HD1 LEU 3 15.327 5.605 10.337 27 3HD1 LEU 3 3HD1 LEU 3 16.593 6.819 10.152 28 1HD2 LEU 3 1HD2 LEU 3 13.059 7.625 7.968 29 2HD2 LEU 3 2HD2 LEU 3 13.493 5.951 8.306 30 3HD2 LEU 3 3HD2 LEU 3 14.516 6.931 7.255 31 H ALA 4 H ALA 4 13.489 10.675 12.871 32 HA ALA 4 HA ALA 4 12.787 8.966 15.207 33 1HB ALA 4 1HB ALA 4 13.242 11.921 14.735 34 2HB ALA 4 2HB ALA 4 14.233 10.814 15.685 35 3HB ALA 4 3HB ALA 4 12.641 11.295 16.271 36 H LEU 5 H LEU 5 10.660 8.418 15.465 37 HA LEU 5 HA LEU 5 8.582 10.096 14.110 38 1HB LEU 5 2HB LEU 5 8.797 7.722 13.447 39 2HB LEU 5 1HB LEU 5 8.556 7.233 15.125 40 HG LEU 5 HG LEU 5 6.419 8.966 14.551 41 1HD1 LEU 5 1HD1 LEU 5 5.603 8.488 12.459 42 2HD1 LEU 5 2HD1 LEU 5 6.293 6.865 12.447 43 3HD1 LEU 5 3HD1 LEU 5 7.316 8.261 12.109 44 1HD2 LEU 5 1HD2 LEU 5 5.398 7.257 15.611 45 2HD2 LEU 5 2HD2 LEU 5 6.901 6.341 15.505 46 3HD2 LEU 5 3HD2 LEU 5 5.687 6.193 14.235 47 H LYS 6 H LYS 6 7.879 11.588 15.629 48 HA LYS 6 HA LYS 6 7.405 10.651 18.428 49 1HB LYS 6 2HB LYS 6 8.749 12.796 17.454 50 2HB LYS 6 1HB LYS 6 7.143 13.505 17.636 51 1HG LYS 6 2HG LYS 6 7.100 13.138 19.950 52 2HG LYS 6 1HG LYS 6 8.334 11.880 19.870 53 1HD LYS 6 2HD LYS 6 9.917 13.746 19.046 54 2HD LYS 6 1HD LYS 6 8.691 14.867 19.640 55 1HE LYS 6 2HE LYS 6 9.791 12.653 21.390 56 2HE LYS 6 1HE LYS 6 10.549 14.256 21.309 57 1HZ LYS 6 1HZ LYS 6 7.638 14.098 21.609 58 2HZ LYS 6 2HZ LYS 6 8.718 15.281 22.173 59 3HZ LYS 6 3HZ LYS 6 8.593 13.788 22.976 60 H GLY 7 H GLY 7 5.376 11.463 19.463 61 1HA GLY 7 2HA GLY 7 3.138 11.536 17.482 62 2HA GLY 7 1HA GLY 7 2.990 10.911 19.126 63 H THR 8 H THR 8 4.875 13.771 18.748 64 HA THR 8 HA THR 8 3.346 15.333 20.551 65 HB THR 8 HB THR 8 5.670 15.782 19.972 66 HG1 THR 8 1HG THR 8 5.281 18.064 19.156 67 1HG2 THR 8 1HG2 THR 8 6.106 16.814 17.666 68 2HG2 THR 8 2HG2 THR 8 4.526 16.177 17.206 69 3HG2 THR 8 3HG2 THR 8 5.810 15.076 17.708 70 H THR 9 H THR 9 2.189 17.417 19.952 71 HA THR 9 HA THR 9 -0.117 17.047 18.436 72 HB THR 9 HB THR 9 1.318 19.697 18.550 73 HG1 THR 9 1HG THR 9 -0.076 18.608 20.737 74 1HG2 THR 9 1HG2 THR 9 -1.159 20.164 19.431 75 2HG2 THR 9 2HG2 THR 9 -1.489 18.688 18.523 76 3HG2 THR 9 3HG2 THR 9 -0.790 20.086 17.708 77 H TYR 10 H TYR 10 -0.107 16.336 16.317 78 HA TYR 10 HA TYR 10 1.585 17.866 14.366 79 1HB TYR 10 2HB TYR 10 1.603 15.101 15.114 80 2HB TYR 10 1HB TYR 10 1.028 15.214 13.450 81 HD1 TYR 10 1HD TYR 10 3.554 17.072 15.523 82 HD2 TYR 10 2HD TYR 10 2.729 14.931 11.891 83 HE1 TYR 10 1HE TYR 10 5.872 17.492 14.748 84 HE2 TYR 10 2HE TYR 10 5.048 15.350 11.118 85 HH TYR 10 HH TYR 10 7.252 17.418 12.958 86 H GLY 11 H GLY 11 0.657 17.676 12.088 87 1HA GLY 11 2HA GLY 11 -2.333 17.563 12.204 88 2HA GLY 11 1HA GLY 11 -1.457 18.729 11.212 89 H MET 12 H MET 12 -2.707 15.531 11.359 90 HA MET 12 HA MET 12 -1.162 14.416 9.163 91 1HB MET 12 2HB MET 12 -3.828 13.631 10.384 92 2HB MET 12 1HB MET 12 -2.766 12.590 9.442 93 1HG MET 12 2HG MET 12 -1.053 12.665 11.129 94 2HG MET 12 1HG MET 12 -1.907 13.930 12.013 95 1HE MET 12 1HE MET 12 -2.328 10.856 10.200 96 2HE MET 12 2HE MET 12 -3.828 10.159 10.807 97 3HE MET 12 3HE MET 12 -2.286 9.640 11.484 98 H CYS 13 H CYS 13 -1.437 15.201 7.097 99 HA CYS 13 HA CYS 13 -4.201 15.503 6.062 100 1HB CYS 13 2HB CYS 13 -3.920 17.783 5.491 101 2HB CYS 13 1HB CYS 13 -3.230 17.665 7.106 102 H THR 14 H THR 14 -4.027 14.030 4.370 103 HA THR 14 HA THR 14 -2.170 14.674 2.188 104 HB THR 14 HB THR 14 -1.839 11.883 3.049 105 HG1 THR 14 1HG THR 14 -0.266 12.923 4.696 106 1HG2 THR 14 1HG2 THR 14 0.630 12.945 2.950 107 2HG2 THR 14 2HG2 THR 14 -0.235 14.156 2.003 108 3HG2 THR 14 3HG2 THR 14 -0.253 12.465 1.502 109 H GLU 15 H GLU 15 -5.035 14.531 2.332 110 HA GLU 15 HA GLU 15 -6.037 11.995 1.371 111 1HB GLU 15 2HB GLU 15 -7.439 13.676 2.454 112 2HB GLU 15 1HB GLU 15 -7.054 14.850 1.194 113 1HG GLU 15 2HG GLU 15 -8.186 12.234 0.318 114 2HG GLU 15 1HG GLU 15 -9.285 13.367 1.107 115 H LYS 16 H LYS 16 -4.000 14.223 -0.088 116 HA LYS 16 HA LYS 16 -5.073 14.133 -2.806 117 1HB LYS 16 2HB LYS 16 -2.315 14.873 -1.777 118 2HB LYS 16 1HB LYS 16 -3.041 15.379 -3.302 119 1HG LYS 16 2HG LYS 16 -3.834 17.192 -2.225 120 2HG LYS 16 1HG LYS 16 -4.907 16.111 -1.336 121 1HD LYS 16 2HD LYS 16 -3.140 15.772 0.367 122 2HD LYS 16 1HD LYS 16 -2.092 16.883 -0.513 123 1HE LYS 16 2HE LYS 16 -3.066 18.640 0.527 124 2HE LYS 16 1HE LYS 16 -4.651 18.145 -0.102 125 1HZ LYS 16 1HZ LYS 16 -4.962 17.843 2.140 126 2HZ LYS 16 2HZ LYS 16 -3.344 17.408 2.427 127 3HZ LYS 16 3HZ LYS 16 -4.408 16.301 1.700 128 H PHE 17 H PHE 17 -5.089 11.540 -2.344 129 HA PHE 17 HA PHE 17 -2.451 10.373 -3.126 130 1HB PHE 17 2HB PHE 17 -4.713 9.640 -1.458 131 2HB PHE 17 1HB PHE 17 -4.371 8.369 -2.634 132 HD1 PHE 17 1HD PHE 17 -1.926 10.765 -1.181 133 HD2 PHE 17 2HD PHE 17 -3.355 6.715 -1.246 134 HE1 PHE 17 1HE PHE 17 0.038 10.051 0.155 135 HE2 PHE 17 2HE PHE 17 -1.391 6.001 0.090 136 HZ PHE 17 HZ PHE 17 0.305 7.669 0.791 137 H SER 18 H SER 18 -2.214 9.294 -5.076 138 HA SER 18 HA SER 18 -4.619 9.172 -6.873 139 1HB SER 18 2HB SER 18 -2.698 10.942 -7.198 140 2HB SER 18 1HB SER 18 -1.794 9.572 -7.836 141 HG SER 18 HG SER 18 -3.830 9.241 -9.129 142 H PHE 19 H PHE 19 -5.055 7.042 -7.328 143 HA PHE 19 HA PHE 19 -3.150 4.917 -6.782 144 1HB PHE 19 2HB PHE 19 -5.602 4.623 -8.499 145 2HB PHE 19 1HB PHE 19 -4.967 3.523 -7.278 146 HD1 PHE 19 1HD PHE 19 -4.892 4.471 -4.817 147 HD2 PHE 19 2HD PHE 19 -7.396 6.017 -7.947 148 HE1 PHE 19 1HE PHE 19 -6.387 5.487 -3.120 149 HE2 PHE 19 2HE PHE 19 -8.891 7.032 -6.249 150 HZ PHE 19 HZ PHE 19 -8.388 6.768 -3.836 151 H ALA 20 H ALA 20 -1.366 4.769 -8.117 152 HA ALA 20 HA ALA 20 -1.660 5.283 -11.028 153 1HB ALA 20 1HB ALA 20 0.662 5.577 -10.969 154 2HB ALA 20 2HB ALA 20 0.866 4.461 -9.619 155 3HB ALA 20 3HB ALA 20 0.206 6.074 -9.339 156 H LYS 21 H LYS 21 -0.973 2.654 -8.749 157 HA LYS 21 HA LYS 21 -1.423 0.706 -10.961 158 1HB LYS 21 2HB LYS 21 0.873 0.434 -9.014 159 2HB LYS 21 1HB LYS 21 0.641 -0.397 -10.552 160 1HG LYS 21 2HG LYS 21 0.699 2.024 -11.562 161 2HG LYS 21 1HG LYS 21 1.506 2.436 -10.048 162 1HD LYS 21 2HD LYS 21 2.391 0.416 -12.121 163 2HD LYS 21 1HD LYS 21 3.240 1.874 -11.608 164 1HE LYS 21 2HE LYS 21 3.679 0.940 -9.420 165 2HE LYS 21 1HE LYS 21 2.633 -0.454 -9.753 166 1HZ LYS 21 1HZ LYS 21 5.248 0.222 -10.928 167 2HZ LYS 21 2HZ LYS 21 4.137 -0.696 -11.827 168 3HZ LYS 21 3HZ LYS 21 4.700 -1.267 -10.329 169 H ASN 22 H ASN 22 -2.230 -1.320 -10.191 170 HA ASN 22 HA ASN 22 -3.720 -1.243 -7.721 171 1HB ASN 22 2HB ASN 22 -2.970 -3.677 -9.355 172 2HB ASN 22 1HB ASN 22 -4.448 -3.407 -8.432 173 1HD2 ASN 22 1HD2 ASN 22 -4.134 -3.957 -11.388 174 2HD2 ASN 22 2HD2 ASN 22 -4.896 -2.653 -12.163 175 HA PRO 23 HA PRO 23 -0.835 -2.913 -4.868 176 1HB PRO 23 2HB PRO 23 -2.389 -4.618 -3.394 177 2HB PRO 23 1HB PRO 23 -2.510 -2.851 -3.273 178 1HG PRO 23 2HG PRO 23 -4.249 -4.772 -4.734 179 2HG PRO 23 1HG PRO 23 -4.685 -3.309 -3.838 180 1HD PRO 23 2HD PRO 23 -4.524 -3.427 -6.565 181 2HD PRO 23 1HD PRO 23 -4.280 -1.938 -5.624 182 H ALA 24 H ALA 24 0.741 -4.396 -5.369 183 HA ALA 24 HA ALA 24 -0.128 -7.101 -6.341 184 1HB ALA 24 1HB ALA 24 1.895 -5.103 -7.255 185 2HB ALA 24 2HB ALA 24 0.874 -6.181 -8.209 186 3HB ALA 24 3HB ALA 24 2.319 -6.809 -7.414 187 H ASP 25 H ASP 25 0.898 -8.870 -5.383 188 HA ASP 25 HA ASP 25 2.357 -8.384 -2.886 189 1HB ASP 25 2HB ASP 25 2.077 -10.768 -2.614 190 2HB ASP 25 1HB ASP 25 0.588 -10.149 -3.331 191 H THR 26 H THR 26 4.568 -8.441 -2.670 192 HA THR 26 HA THR 26 6.172 -9.529 -4.965 193 HB THR 26 HB THR 26 7.815 -7.695 -3.990 194 HG1 THR 26 1HG THR 26 6.085 -7.382 -2.284 195 1HG2 THR 26 1HG2 THR 26 7.291 -6.978 -6.060 196 2HG2 THR 26 2HG2 THR 26 5.989 -6.050 -5.317 197 3HG2 THR 26 3HG2 THR 26 5.668 -7.662 -5.954 198 H GLY 27 H GLY 27 5.540 -11.308 -2.979 199 1HA GLY 27 2HA GLY 27 7.768 -12.553 -2.119 200 2HA GLY 27 1HA GLY 27 7.661 -11.258 -0.925 201 H HIS 28 H HIS 28 6.844 -12.129 0.925 202 HA HIS 28 HA HIS 28 4.526 -14.019 0.675 203 1HB HIS 28 2HB HIS 28 6.991 -13.892 2.328 204 2HB HIS 28 1HB HIS 28 5.534 -14.435 3.163 205 HD1 HIS 28 1HD HIS 28 4.187 -16.437 1.853 206 HD2 HIS 28 2HD HIS 28 8.185 -15.876 0.808 207 HE1 HIS 28 1HE HIS 28 4.922 -18.553 0.670 208 H GLY 29 H GLY 29 2.859 -12.439 0.817 209 1HA GLY 29 2HA GLY 29 1.277 -11.252 2.117 210 2HA GLY 29 1HA GLY 29 2.342 -11.429 3.512 211 H THR 30 H THR 30 3.679 -10.183 0.559 212 HA THR 30 HA THR 30 3.765 -7.454 1.812 213 HB THR 30 HB THR 30 5.892 -7.461 0.190 214 HG1 THR 30 1HG THR 30 5.673 -9.445 -0.691 215 1HG2 THR 30 1HG2 THR 30 7.119 -8.644 2.190 216 2HG2 THR 30 2HG2 THR 30 5.527 -8.589 2.947 217 3HG2 THR 30 3HG2 THR 30 6.320 -7.093 2.451 218 H VAL 31 H VAL 31 2.220 -6.279 0.692 219 HA VAL 31 HA VAL 31 2.009 -6.629 -2.243 220 HB VAL 31 HB VAL 31 0.224 -5.101 -0.338 221 1HG1 VAL 31 1HG1 VAL 31 -1.461 -5.721 -2.167 222 2HG1 VAL 31 2HG1 VAL 31 -0.069 -6.186 -3.146 223 3HG1 VAL 31 3HG1 VAL 31 -0.246 -4.518 -2.602 224 1HG2 VAL 31 1HG2 VAL 31 0.276 -7.347 0.499 225 2HG2 VAL 31 2HG2 VAL 31 0.234 -8.023 -1.130 226 3HG2 VAL 31 3HG2 VAL 31 -1.192 -7.221 -0.471 227 H VAL 32 H VAL 32 2.583 -4.939 -3.618 228 HA VAL 32 HA VAL 32 3.621 -2.453 -2.319 229 HB VAL 32 HB VAL 32 4.757 -2.394 -4.700 230 1HG1 VAL 32 1HG1 VAL 32 6.611 -3.759 -3.810 231 2HG1 VAL 32 2HG1 VAL 32 5.532 -4.413 -2.578 232 3HG1 VAL 32 3HG1 VAL 32 5.948 -2.699 -2.564 233 1HG2 VAL 32 1HG2 VAL 32 5.038 -4.531 -5.746 234 2HG2 VAL 32 2HG2 VAL 32 3.307 -4.342 -5.470 235 3HG2 VAL 32 3HG2 VAL 32 4.264 -5.363 -4.397 236 H ILE 33 H ILE 33 2.720 -0.508 -2.914 237 HA ILE 33 HA ILE 33 0.803 -0.476 -5.224 238 HB ILE 33 HB ILE 33 -0.211 -0.639 -2.892 239 1HG1 ILE 33 2HG1 ILE 33 -0.908 2.016 -4.122 240 2HG1 ILE 33 1HG1 ILE 33 -1.203 0.528 -5.023 241 1HG2 ILE 33 1HG2 ILE 33 0.379 0.822 -1.276 242 2HG2 ILE 33 2HG2 ILE 33 0.186 2.201 -2.358 243 3HG2 ILE 33 3HG2 ILE 33 1.706 1.307 -2.331 244 1HD1 ILE 33 1HD1 ILE 33 -2.526 -0.353 -3.131 245 2HD1 ILE 33 2HD1 ILE 33 -3.197 1.168 -3.721 246 3HD1 ILE 33 3HD1 ILE 33 -2.241 1.141 -2.240 247 H GLU 34 H GLU 34 0.875 1.450 -6.451 248 HA GLU 34 HA GLU 34 2.950 3.449 -5.606 249 1HB GLU 34 2HB GLU 34 2.923 1.699 -7.768 250 2HB GLU 34 1HB GLU 34 2.383 3.224 -8.470 251 1HG GLU 34 2HG GLU 34 4.489 3.932 -6.759 252 2HG GLU 34 1HG GLU 34 5.038 2.464 -7.569 253 H LEU 35 H LEU 35 1.685 5.163 -4.884 254 HA LEU 35 HA LEU 35 -0.426 6.156 -6.770 255 1HB LEU 35 2HB LEU 35 -0.454 6.741 -3.825 256 2HB LEU 35 1HB LEU 35 -1.812 6.589 -4.940 257 HG LEU 35 HG LEU 35 -1.013 4.095 -5.136 258 1HD1 LEU 35 1HD1 LEU 35 -0.277 4.034 -2.363 259 2HD1 LEU 35 2HD1 LEU 35 0.799 5.147 -3.209 260 3HD1 LEU 35 3HD1 LEU 35 0.650 3.476 -3.755 261 1HD2 LEU 35 1HD2 LEU 35 -2.220 4.754 -2.469 262 2HD2 LEU 35 2HD2 LEU 35 -2.712 3.536 -3.646 263 3HD2 LEU 35 3HD2 LEU 35 -3.084 5.236 -3.928 264 H SER 36 H SER 36 -0.317 8.382 -7.238 265 HA SER 36 HA SER 36 2.151 9.752 -6.436 266 1HB SER 36 2HB SER 36 0.042 10.926 -8.201 267 2HB SER 36 1HB SER 36 1.794 10.999 -8.365 268 HG SER 36 HG SER 36 1.800 8.908 -9.089 269 H TYR 37 H TYR 37 2.162 11.304 -4.838 270 HA TYR 37 HA TYR 37 -0.445 12.045 -3.656 271 1HB TYR 37 2HB TYR 37 1.182 11.429 -2.063 272 2HB TYR 37 1HB TYR 37 2.468 12.282 -2.915 273 HD1 TYR 37 1HD TYR 37 3.220 14.228 -1.897 274 HD2 TYR 37 2HD TYR 37 -0.909 13.115 -1.483 275 HE1 TYR 37 1HE TYR 37 2.816 16.241 -0.506 276 HE2 TYR 37 2HE TYR 37 -1.311 15.127 -0.091 277 HH TYR 37 HH TYR 37 -0.230 16.743 1.158 278 H SER 38 H SER 38 -1.349 13.602 -5.053 279 HA SER 38 HA SER 38 0.286 15.825 -6.039 280 1HB SER 38 2HB SER 38 -2.372 14.607 -6.511 281 2HB SER 38 1HB SER 38 -2.289 16.348 -6.764 282 HG SER 38 HG SER 38 -1.737 14.969 -8.612 283 H GLY 39 H GLY 39 0.624 16.389 -3.597 284 1HA GLY 39 2HA GLY 39 -1.603 18.196 -2.748 285 2HA GLY 39 1HA GLY 39 -0.656 17.260 -1.591 286 H SER 40 H SER 40 -0.964 20.284 -2.859 287 HA SER 40 HA SER 40 1.897 20.968 -3.032 288 1HB SER 40 2HB SER 40 -0.746 22.400 -3.291 289 2HB SER 40 1HB SER 40 0.768 23.299 -3.263 290 HG SER 40 HG SER 40 1.409 22.265 -5.095 291 H ASP 41 H ASP 41 0.423 20.044 -0.436 292 HA ASP 41 HA ASP 41 0.869 22.437 1.276 293 1HB ASP 41 2HB ASP 41 -0.198 20.905 2.981 294 2HB ASP 41 1HB ASP 41 -1.203 21.209 1.563 295 H GLY 42 H GLY 42 2.691 19.917 0.083 296 1HA GLY 42 2HA GLY 42 4.966 19.475 0.702 297 2HA GLY 42 1HA GLY 42 4.650 20.210 2.276 298 HA PRO 43 HA PRO 43 4.620 15.673 2.911 299 1HB PRO 43 2HB PRO 43 6.062 15.749 5.238 300 2HB PRO 43 1HB PRO 43 6.817 15.684 3.633 301 1HG PRO 43 2HG PRO 43 6.439 17.997 5.454 302 2HG PRO 43 1HG PRO 43 7.790 17.616 4.377 303 1HD PRO 43 2HD PRO 43 5.848 19.466 3.807 304 2HD PRO 43 1HD PRO 43 6.800 18.609 2.576 305 H CYS 44 H CYS 44 3.329 14.540 4.469 306 HA CYS 44 HA CYS 44 2.262 15.827 6.854 307 1HB CYS 44 2HB CYS 44 1.204 16.732 4.526 308 2HB CYS 44 1HB CYS 44 0.160 15.343 4.809 309 H LYS 45 H LYS 45 0.675 14.350 7.935 310 HA LYS 45 HA LYS 45 1.328 11.539 7.440 311 1HB LYS 45 2HB LYS 45 -0.786 12.623 9.302 312 2HB LYS 45 1HB LYS 45 0.225 11.197 9.513 313 1HG LYS 45 2HG LYS 45 1.090 14.096 9.664 314 2HG LYS 45 1HG LYS 45 1.100 12.906 10.965 315 1HD LYS 45 2HD LYS 45 3.143 12.191 10.358 316 2HD LYS 45 1HD LYS 45 2.587 11.888 8.712 317 1HE LYS 45 2HE LYS 45 3.081 14.136 8.029 318 2HE LYS 45 1HE LYS 45 3.331 14.655 9.709 319 1HZ LYS 45 1HZ LYS 45 5.043 12.756 9.753 320 2HZ LYS 45 2HZ LYS 45 5.476 14.211 8.987 321 3HZ LYS 45 3HZ LYS 45 5.005 12.866 8.061 322 H ILE 46 H ILE 46 0.278 10.457 5.806 323 HA ILE 46 HA ILE 46 -2.282 11.324 4.732 324 HB ILE 46 HB ILE 46 -0.886 8.667 4.344 325 1HG1 ILE 46 2HG1 ILE 46 -0.215 10.801 2.447 326 2HG1 ILE 46 1HG1 ILE 46 0.369 11.128 4.078 327 1HG2 ILE 46 1HG2 ILE 46 -1.940 8.654 2.227 328 2HG2 ILE 46 2HG2 ILE 46 -2.304 10.376 2.300 329 3HG2 ILE 46 3HG2 ILE 46 -3.187 9.245 3.325 330 1HD1 ILE 46 1HD1 ILE 46 1.477 9.346 2.158 331 2HD1 ILE 46 2HD1 ILE 46 0.839 8.364 3.477 332 3HD1 ILE 46 3HD1 ILE 46 2.021 9.629 3.811 333 HA PRO 47 HA PRO 47 -4.473 9.036 7.914 334 1HB PRO 47 2HB PRO 47 -6.935 10.062 7.297 335 2HB PRO 47 1HB PRO 47 -5.739 10.943 8.268 336 1HG PRO 47 2HG PRO 47 -6.456 11.264 5.402 337 2HG PRO 47 1HG PRO 47 -6.015 12.489 6.601 338 1HD PRO 47 2HD PRO 47 -4.310 11.531 4.679 339 2HD PRO 47 1HD PRO 47 -3.781 12.237 6.221 340 H ILE 48 H ILE 48 -4.118 6.997 6.755 341 HA ILE 48 HA ILE 48 -6.370 6.283 4.901 342 HB ILE 48 HB ILE 48 -3.474 5.377 4.906 343 1HG1 ILE 48 2HG1 ILE 48 -4.979 7.128 2.937 344 2HG1 ILE 48 1HG1 ILE 48 -3.863 7.736 4.161 345 1HG2 ILE 48 1HG2 ILE 48 -4.284 3.621 3.740 346 2HG2 ILE 48 2HG2 ILE 48 -4.674 4.769 2.460 347 3HG2 ILE 48 3HG2 ILE 48 -5.895 4.334 3.655 348 1HD1 ILE 48 1HD1 ILE 48 -2.846 5.548 2.427 349 2HD1 ILE 48 2HD1 ILE 48 -2.011 6.971 3.051 350 3HD1 ILE 48 3HD1 ILE 48 -3.076 7.116 1.653 351 H VAL 49 H VAL 49 -7.178 4.135 5.112 352 HA VAL 49 HA VAL 49 -6.213 2.581 7.484 353 HB VAL 49 HB VAL 49 -8.600 2.199 8.033 354 1HG1 VAL 49 1HG1 VAL 49 -9.141 4.524 8.725 355 2HG1 VAL 49 2HG1 VAL 49 -7.857 5.120 7.674 356 3HG1 VAL 49 3HG1 VAL 49 -7.460 4.112 9.065 357 1HG2 VAL 49 1HG2 VAL 49 -10.248 3.739 6.792 358 2HG2 VAL 49 2HG2 VAL 49 -9.670 2.324 5.910 359 3HG2 VAL 49 3HG2 VAL 49 -8.986 3.914 5.572 360 H SER 50 H SER 50 -6.061 0.371 7.052 361 HA SER 50 HA SER 50 -7.075 -0.535 4.378 362 1HB SER 50 2HB SER 50 -5.017 -2.210 5.473 363 2HB SER 50 1HB SER 50 -4.947 -1.197 4.035 364 HG SER 50 HG SER 50 -3.643 -0.844 6.251 365 H VAL 51 H VAL 51 -8.944 -1.676 4.789 366 HA VAL 51 HA VAL 51 -8.810 -3.798 6.900 367 HB VAL 51 HB VAL 51 -11.272 -3.233 7.238 368 1HG1 VAL 51 1HG1 VAL 51 -9.728 -0.758 7.840 369 2HG1 VAL 51 2HG1 VAL 51 -9.083 -2.273 8.472 370 3HG1 VAL 51 3HG1 VAL 51 -10.712 -1.756 8.909 371 1HG2 VAL 51 1HG2 VAL 51 -12.018 -1.034 6.445 372 2HG2 VAL 51 2HG2 VAL 51 -11.534 -2.029 5.072 373 3HG2 VAL 51 3HG2 VAL 51 -10.458 -0.765 5.668 374 H ALA 52 H ALA 52 -10.233 -5.640 6.433 375 HA ALA 52 HA ALA 52 -10.124 -6.615 3.781 376 1HB ALA 52 1HB ALA 52 -10.414 -8.166 5.530 377 2HB ALA 52 2HB ALA 52 -12.002 -8.152 4.761 378 3HB ALA 52 3HB ALA 52 -11.735 -7.245 6.250 379 H SER 53 H SER 53 -12.016 -7.078 2.338 380 HA SER 53 HA SER 53 -13.489 -4.725 1.668 381 1HB SER 53 2HB SER 53 -12.842 -7.071 0.480 382 2HB SER 53 1HB SER 53 -14.525 -7.399 0.883 383 HG SER 53 HG SER 53 -15.086 -5.491 -0.212 384 H LEU 54 H LEU 54 -15.212 -3.883 2.755 385 HA LEU 54 HA LEU 54 -17.397 -3.880 3.721 386 1HB LEU 54 2HB LEU 54 -17.343 -6.221 2.435 387 2HB LEU 54 1HB LEU 54 -17.295 -6.846 4.084 388 HG LEU 54 HG LEU 54 -19.266 -5.194 4.514 389 1HD1 LEU 54 1HD1 LEU 54 -18.735 -4.618 1.820 390 2HD1 LEU 54 2HD1 LEU 54 -20.142 -4.099 2.749 391 3HD1 LEU 54 3HD1 LEU 54 -20.213 -5.580 1.795 392 1HD2 LEU 54 1HD2 LEU 54 -20.497 -7.091 4.512 393 2HD2 LEU 54 2HD2 LEU 54 -19.102 -7.893 3.790 394 3HD2 LEU 54 3HD2 LEU 54 -20.375 -7.239 2.759 395 H ASN 55 H ASN 55 -14.759 -3.867 5.159 396 HA ASN 55 HA ASN 55 -15.836 -4.606 7.851 397 1HB ASN 55 2HB ASN 55 -13.147 -5.261 6.615 398 2HB ASN 55 1HB ASN 55 -13.472 -5.411 8.341 399 1HD2 ASN 55 1HD2 ASN 55 -13.997 -6.894 5.217 400 2HD2 ASN 55 2HD2 ASN 55 -14.878 -8.231 5.780 401 H ASP 56 H ASP 56 -16.228 -2.252 8.019 402 HA ASP 56 HA ASP 56 -13.751 -0.582 8.160 403 1HB ASP 56 2HB ASP 56 -15.973 -0.113 6.799 404 2HB ASP 56 1HB ASP 56 -16.564 0.453 8.362 405 H MET 57 H MET 57 -15.293 -2.517 10.209 406 HA MET 57 HA MET 57 -15.379 -0.565 12.478 407 1HB MET 57 2HB MET 57 -17.406 -1.930 11.864 408 2HB MET 57 1HB MET 57 -16.483 -3.381 12.257 409 1HG MET 57 2HG MET 57 -17.797 -2.774 14.202 410 2HG MET 57 1HG MET 57 -16.101 -2.438 14.554 411 1HE MET 57 1HE MET 57 -18.143 -1.559 16.225 412 2HE MET 57 2HE MET 57 -19.475 -0.885 15.292 413 3HE MET 57 3HE MET 57 -18.490 0.174 16.297 414 H THR 58 H THR 58 -13.576 -3.149 11.127 415 HA THR 58 HA THR 58 -11.965 -3.343 13.645 416 HB THR 58 HB THR 58 -11.755 -5.841 12.804 417 HG1 THR 58 1HG THR 58 -12.945 -5.400 10.885 418 1HG2 THR 58 1HG2 THR 58 -14.460 -5.504 13.869 419 2HG2 THR 58 2HG2 THR 58 -13.258 -4.547 14.736 420 3HG2 THR 58 3HG2 THR 58 -13.058 -6.293 14.593 421 HA PRO 59 HA PRO 59 -8.669 -2.596 10.807 422 1HB PRO 59 2HB PRO 59 -6.592 -3.364 12.417 423 2HB PRO 59 1HB PRO 59 -7.468 -1.835 12.635 424 1HG PRO 59 2HG PRO 59 -7.734 -4.397 14.124 425 2HG PRO 59 1HG PRO 59 -7.811 -2.732 14.718 426 1HD PRO 59 2HD PRO 59 -10.013 -4.287 14.284 427 2HD PRO 59 1HD PRO 59 -10.027 -2.511 14.201 428 H VAL 60 H VAL 60 -7.694 -3.866 9.228 429 HA VAL 60 HA VAL 60 -7.133 -6.731 9.831 430 HB VAL 60 HB VAL 60 -8.674 -5.836 7.392 431 1HG1 VAL 60 1HG1 VAL 60 -7.641 -8.346 8.454 432 2HG1 VAL 60 2HG1 VAL 60 -8.283 -7.993 6.850 433 3HG1 VAL 60 3HG1 VAL 60 -9.378 -8.427 8.164 434 1HG2 VAL 60 1HG2 VAL 60 -10.181 -5.209 9.071 435 2HG2 VAL 60 2HG2 VAL 60 -9.631 -6.472 10.172 436 3HG2 VAL 60 3HG2 VAL 60 -10.638 -6.888 8.785 437 H GLY 61 H GLY 61 -7.065 -4.236 7.315 438 1HA GLY 61 2HA GLY 61 -4.664 -5.427 6.096 439 2HA GLY 61 1HA GLY 61 -5.530 -4.002 5.511 440 H ARG 62 H ARG 62 -2.592 -4.402 6.112 441 HA ARG 62 HA ARG 62 -2.317 -2.027 7.917 442 1HB ARG 62 2HB ARG 62 -0.695 -4.591 8.009 443 2HB ARG 62 1HB ARG 62 -0.491 -3.199 9.073 444 1HG ARG 62 2HG ARG 62 -3.210 -3.787 9.256 445 2HG ARG 62 1HG ARG 62 -2.433 -5.371 9.227 446 1HD ARG 62 2HD ARG 62 -2.556 -4.613 11.548 447 2HD ARG 62 1HD ARG 62 -0.859 -4.537 11.032 448 HE ARG 62 HE ARG 62 -2.320 -2.075 10.474 449 1HH1 ARG 62 1HH1 ARG 62 -2.041 -3.385 13.451 450 2HH1 ARG 62 2HH1 ARG 62 -0.908 -2.241 14.090 451 1HH2 ARG 62 1HH2 ARG 62 -0.214 -0.808 11.011 452 2HH2 ARG 62 2HH2 ARG 62 0.126 -0.781 12.709 453 H LEU 63 H LEU 63 -0.325 -0.822 7.547 454 HA LEU 63 HA LEU 63 0.653 -1.052 4.758 455 1HB LEU 63 2HB LEU 63 0.684 0.971 6.980 456 2HB LEU 63 1HB LEU 63 1.828 1.141 5.649 457 HG LEU 63 HG LEU 63 -0.314 0.752 4.157 458 1HD1 LEU 63 1HD1 LEU 63 -2.336 0.928 5.162 459 2HD1 LEU 63 2HD1 LEU 63 -1.807 2.275 6.170 460 3HD1 LEU 63 3HD1 LEU 63 -1.473 0.617 6.668 461 1HD2 LEU 63 1HD2 LEU 63 1.171 2.944 4.898 462 2HD2 LEU 63 2HD2 LEU 63 -0.457 3.440 5.359 463 3HD2 LEU 63 3HD2 LEU 63 -0.117 2.971 3.693 464 H VAL 64 H VAL 64 2.330 -2.514 4.543 465 HA VAL 64 HA VAL 64 4.083 -3.424 6.562 466 HB VAL 64 HB VAL 64 4.419 -3.118 3.563 467 1HG1 VAL 64 1HG1 VAL 64 6.606 -3.554 4.188 468 2HG1 VAL 64 2HG1 VAL 64 5.980 -5.202 4.119 469 3HG1 VAL 64 3HG1 VAL 64 6.128 -4.378 5.672 470 1HG2 VAL 64 1HG2 VAL 64 2.520 -4.536 4.725 471 2HG2 VAL 64 2HG2 VAL 64 3.835 -5.669 5.041 472 3HG2 VAL 64 3HG2 VAL 64 3.431 -5.227 3.382 473 H THR 65 H THR 65 4.511 -0.715 4.266 474 HA THR 65 HA THR 65 7.165 -0.026 5.228 475 HB THR 65 HB THR 65 5.278 1.872 3.856 476 HG1 THR 65 1HG THR 65 6.639 -0.094 2.402 477 1HG2 THR 65 1HG2 THR 65 8.034 1.782 4.385 478 2HG2 THR 65 2HG2 THR 65 7.200 2.908 3.315 479 3HG2 THR 65 3HG2 THR 65 7.881 1.416 2.667 480 H VAL 66 H VAL 66 7.551 2.235 6.181 481 HA VAL 66 HA VAL 66 6.534 2.573 8.736 482 HB VAL 66 HB VAL 66 7.216 4.790 6.777 483 1HG1 VAL 66 1HG1 VAL 66 8.310 5.530 9.116 484 2HG1 VAL 66 2HG1 VAL 66 6.978 4.558 9.740 485 3HG1 VAL 66 3HG1 VAL 66 6.648 5.936 8.690 486 1HG2 VAL 66 1HG2 VAL 66 9.549 4.338 7.952 487 2HG2 VAL 66 2HG2 VAL 66 9.060 3.392 6.547 488 3HG2 VAL 66 3HG2 VAL 66 8.882 2.719 8.168 489 H ASN 67 H ASN 67 5.055 4.439 9.491 490 HA ASN 67 HA ASN 67 2.394 4.088 8.753 491 1HB ASN 67 2HB ASN 67 3.783 6.635 9.656 492 2HB ASN 67 1HB ASN 67 2.061 6.289 9.833 493 1HD2 ASN 67 1HD2 ASN 67 5.169 5.840 11.283 494 2HD2 ASN 67 2HD2 ASN 67 4.677 4.796 12.528 495 HA PRO 68 HA PRO 68 1.912 6.015 4.838 496 1HB PRO 68 2HB PRO 68 -0.660 6.928 5.024 497 2HB PRO 68 1HB PRO 68 -0.256 5.210 4.836 498 1HG PRO 68 2HG PRO 68 -1.035 6.715 7.280 499 2HG PRO 68 1HG PRO 68 -1.453 5.068 6.787 500 1HD PRO 68 2HD PRO 68 0.463 5.661 8.647 501 2HD PRO 68 1HD PRO 68 0.463 4.182 7.661 502 H PHE 69 H PHE 69 3.505 7.717 5.981 503 HA PHE 69 HA PHE 69 2.102 10.373 6.032 504 1HB PHE 69 2HB PHE 69 4.633 9.471 7.449 505 2HB PHE 69 1HB PHE 69 3.854 11.043 7.625 506 HD1 PHE 69 1HD PHE 69 4.415 8.990 9.860 507 HD2 PHE 69 2HD PHE 69 0.974 9.751 7.405 508 HE1 PHE 69 1HE PHE 69 2.945 8.071 11.634 509 HE2 PHE 69 2HE PHE 69 -0.496 8.830 9.177 510 HZ PHE 69 HZ PHE 69 0.491 7.991 11.292 511 H VAL 70 H VAL 70 2.661 11.594 4.270 512 HA VAL 70 HA VAL 70 4.930 10.854 2.574 513 HB VAL 70 HB VAL 70 2.924 13.132 2.575 514 1HG1 VAL 70 1HG1 VAL 70 5.370 12.854 1.125 515 2HG1 VAL 70 2HG1 VAL 70 4.127 14.090 0.934 516 3HG1 VAL 70 3HG1 VAL 70 4.040 12.600 -0.004 517 1HG2 VAL 70 1HG2 VAL 70 2.384 11.572 0.409 518 2HG2 VAL 70 2HG2 VAL 70 1.608 11.359 1.978 519 3HG2 VAL 70 3HG2 VAL 70 2.989 10.356 1.534 520 H ALA 71 H ALA 71 6.237 11.320 4.824 521 HA ALA 71 HA ALA 71 6.914 14.152 5.217 522 1HB ALA 71 1HB ALA 71 7.156 11.627 6.570 523 2HB ALA 71 2HB ALA 71 7.411 13.244 7.224 524 3HB ALA 71 3HB ALA 71 8.750 12.374 6.474 525 H THR 72 H THR 72 7.484 13.941 2.657 526 HA THR 72 HA THR 72 10.460 13.709 2.556 527 HB THR 72 HB THR 72 8.860 12.674 0.259 528 HG1 THR 72 1HG THR 72 7.819 11.713 1.991 529 1HG2 THR 72 1HG2 THR 72 10.728 11.042 0.214 530 2HG2 THR 72 2HG2 THR 72 11.383 11.777 1.677 531 3HG2 THR 72 3HG2 THR 72 11.308 12.708 0.182 532 H SER 73 H SER 73 11.330 14.811 0.573 533 HA SER 73 HA SER 73 9.739 17.244 -0.035 534 1HB SER 73 2HB SER 73 11.880 18.120 -0.732 535 2HB SER 73 1HB SER 73 12.154 17.218 0.754 536 HG SER 73 HG SER 73 12.780 16.551 -1.905 537 H SER 74 H SER 74 10.419 14.201 -1.409 538 HA SER 74 HA SER 74 9.725 15.220 -4.148 539 1HB SER 74 2HB SER 74 11.424 12.874 -3.242 540 2HB SER 74 1HB SER 74 11.035 13.231 -4.923 541 HG SER 74 HG SER 74 12.946 14.278 -3.376 542 H ALA 75 H ALA 75 8.121 14.044 -1.711 543 HA ALA 75 HA ALA 75 7.016 11.554 -2.804 544 1HB ALA 75 1HB ALA 75 6.160 13.378 -0.534 545 2HB ALA 75 2HB ALA 75 7.246 11.997 -0.386 546 3HB ALA 75 3HB ALA 75 5.554 11.746 -0.814 547 H ASN 76 H ASN 76 6.748 14.526 -3.990 548 HA ASN 76 HA ASN 76 3.840 14.784 -4.170 549 1HB ASN 76 2HB ASN 76 6.048 16.246 -5.646 550 2HB ASN 76 1HB ASN 76 4.399 16.812 -5.373 551 1HD2 ASN 76 1HD2 ASN 76 7.235 17.764 -4.405 552 2HD2 ASN 76 2HD2 ASN 76 6.999 18.013 -2.743 553 H SER 77 H SER 77 5.680 12.520 -5.398 554 HA SER 77 HA SER 77 4.469 12.661 -8.133 555 1HB SER 77 2HB SER 77 6.502 11.858 -8.998 556 2HB SER 77 1HB SER 77 7.048 12.918 -7.703 557 HG SER 77 HG SER 77 7.190 10.186 -7.950 558 H LYS 78 H LYS 78 4.835 10.131 -8.991 559 HA LYS 78 HA LYS 78 2.896 8.574 -7.573 560 1HB LYS 78 2HB LYS 78 3.726 6.786 -9.126 561 2HB LYS 78 1HB LYS 78 3.408 8.310 -9.955 562 1HG LYS 78 2HG LYS 78 5.991 8.707 -9.271 563 2HG LYS 78 1HG LYS 78 5.995 6.950 -9.420 564 1HD LYS 78 2HD LYS 78 5.107 7.088 -11.680 565 2HD LYS 78 1HD LYS 78 4.928 8.838 -11.537 566 1HE LYS 78 2HE LYS 78 7.507 8.787 -11.007 567 2HE LYS 78 1HE LYS 78 7.444 7.217 -11.833 568 1HZ LYS 78 1HZ LYS 78 6.853 8.155 -13.787 569 2HZ LYS 78 2HZ LYS 78 7.647 9.513 -13.146 570 3HZ LYS 78 3HZ LYS 78 5.954 9.396 -13.060 571 H VAL 79 H VAL 79 3.665 8.529 -5.352 572 HA VAL 79 HA VAL 79 6.274 7.467 -4.666 573 HB VAL 79 HB VAL 79 5.332 7.650 -2.398 574 1HG1 VAL 79 1HG1 VAL 79 5.523 9.726 -4.314 575 2HG1 VAL 79 2HG1 VAL 79 5.641 9.874 -2.560 576 3HG1 VAL 79 3HG1 VAL 79 4.079 10.057 -3.359 577 1HG2 VAL 79 1HG2 VAL 79 2.971 6.911 -3.571 578 2HG2 VAL 79 2HG2 VAL 79 2.717 8.640 -3.344 579 3HG2 VAL 79 3HG2 VAL 79 3.095 7.616 -1.959 580 H LEU 80 H LEU 80 6.251 5.451 -3.074 581 HA LEU 80 HA LEU 80 4.266 3.409 -3.996 582 1HB LEU 80 2HB LEU 80 6.682 3.601 -5.127 583 2HB LEU 80 1HB LEU 80 7.145 2.661 -3.708 584 HG LEU 80 HG LEU 80 4.905 1.917 -5.612 585 1HD1 LEU 80 1HD1 LEU 80 7.802 1.116 -5.428 586 2HD1 LEU 80 2HD1 LEU 80 6.859 1.539 -6.857 587 3HD1 LEU 80 3HD1 LEU 80 6.606 -0.015 -6.061 588 1HD2 LEU 80 1HD2 LEU 80 4.582 1.099 -3.313 589 2HD2 LEU 80 2HD2 LEU 80 6.216 0.434 -3.308 590 3HD2 LEU 80 3HD2 LEU 80 4.992 -0.240 -4.383 591 H VAL 81 H VAL 81 3.356 2.543 -2.187 592 HA VAL 81 HA VAL 81 5.027 2.330 0.295 593 HB VAL 81 HB VAL 81 2.018 2.346 0.214 594 1HG1 VAL 81 1HG1 VAL 81 4.193 3.116 2.156 595 2HG1 VAL 81 2HG1 VAL 81 2.880 1.959 2.377 596 3HG1 VAL 81 3HG1 VAL 81 2.538 3.690 2.366 597 1HG2 VAL 81 1HG2 VAL 81 2.077 4.821 0.347 598 2HG2 VAL 81 2HG2 VAL 81 2.720 4.248 -1.191 599 3HG2 VAL 81 3HG2 VAL 81 3.820 4.788 0.078 600 H GLU 82 H GLU 82 4.130 0.468 1.747 601 HA GLU 82 HA GLU 82 3.463 -1.888 0.011 602 1HB GLU 82 2HB GLU 82 5.127 -1.725 2.546 603 2HB GLU 82 1HB GLU 82 4.872 -3.172 1.571 604 1HG GLU 82 2HG GLU 82 6.054 -2.231 -0.292 605 2HG GLU 82 1HG GLU 82 6.090 -0.635 0.458 606 H MET 83 H MET 83 2.081 -3.500 1.004 607 HA MET 83 HA MET 83 0.755 -2.760 3.567 608 1HB MET 83 2HB MET 83 -0.256 -2.254 0.952 609 2HB MET 83 1HB MET 83 -1.216 -3.568 1.634 610 1HG MET 83 2HG MET 83 -0.655 -1.371 3.520 611 2HG MET 83 1HG MET 83 -1.655 -0.910 2.143 612 1HE MET 83 1HE MET 83 -4.367 -2.006 1.839 613 2HE MET 83 2HE MET 83 -4.245 -3.747 2.078 614 3HE MET 83 3HE MET 83 -3.004 -2.902 1.155 615 H GLU 84 H GLU 84 0.108 -4.606 4.708 616 HA GLU 84 HA GLU 84 0.565 -7.216 3.376 617 1HB GLU 84 2HB GLU 84 0.828 -7.872 5.877 618 2HB GLU 84 1HB GLU 84 2.121 -6.950 5.121 619 1HG GLU 84 2HG GLU 84 1.638 -5.048 6.315 620 2HG GLU 84 1HG GLU 84 -0.092 -5.390 6.359 621 HA PRO 85 HA PRO 85 -3.935 -6.843 4.647 622 1HB PRO 85 2HB PRO 85 -5.017 -7.231 2.165 623 2HB PRO 85 1HB PRO 85 -4.590 -5.625 2.790 624 1HG PRO 85 2HG PRO 85 -3.108 -7.372 0.889 625 2HG PRO 85 1HG PRO 85 -3.312 -5.614 0.881 626 1HD PRO 85 2HD PRO 85 -1.046 -6.863 1.744 627 2HD PRO 85 1HD PRO 85 -1.582 -5.274 2.336 628 HA PRO 86 HA PRO 86 -4.076 -11.251 4.717 629 1HB PRO 86 2HB PRO 86 -6.708 -11.587 5.397 630 2HB PRO 86 1HB PRO 86 -5.473 -11.042 6.550 631 1HG PRO 86 2HG PRO 86 -7.498 -9.453 5.054 632 2HG PRO 86 1HG PRO 86 -6.930 -9.274 6.722 633 1HD PRO 86 2HD PRO 86 -6.089 -7.684 4.676 634 2HD PRO 86 1HD PRO 86 -5.095 -8.049 6.104 635 H PHE 87 H PHE 87 -4.866 -13.015 3.410 636 HA PHE 87 HA PHE 87 -5.438 -12.513 0.701 637 1HB PHE 87 2HB PHE 87 -6.540 -14.943 2.079 638 2HB PHE 87 1HB PHE 87 -5.632 -14.832 0.573 639 HD1 PHE 87 1HD PHE 87 -3.245 -13.425 1.120 640 HD2 PHE 87 2HD PHE 87 -5.359 -16.140 3.689 641 HE1 PHE 87 1HE PHE 87 -1.148 -13.884 2.357 642 HE2 PHE 87 2HE PHE 87 -3.264 -16.602 4.927 643 HZ PHE 87 HZ PHE 87 -1.155 -15.477 4.261 644 H GLY 88 H GLY 88 -7.300 -11.986 -0.398 645 1HA GLY 88 2HA GLY 88 -9.784 -12.439 -0.576 646 2HA GLY 88 1HA GLY 88 -9.863 -12.056 1.144 647 H ASP 89 H ASP 89 -11.383 -10.647 -0.781 648 HA ASP 89 HA ASP 89 -10.304 -8.264 -1.814 649 1HB ASP 89 2HB ASP 89 -12.703 -7.435 -1.347 650 2HB ASP 89 1HB ASP 89 -12.543 -8.899 -2.318 651 H SER 90 H SER 90 -10.228 -6.091 -0.915 652 HA SER 90 HA SER 90 -10.387 -5.890 2.059 653 1HB SER 90 2HB SER 90 -8.119 -4.728 1.914 654 2HB SER 90 1HB SER 90 -8.098 -6.463 1.613 655 HG SER 90 HG SER 90 -8.377 -4.540 -0.448 656 H TYR 91 H TYR 91 -11.155 -3.885 2.712 657 HA TYR 91 HA TYR 91 -11.753 -1.903 0.563 658 1HB TYR 91 2HB TYR 91 -12.957 -2.846 3.087 659 2HB TYR 91 1HB TYR 91 -13.038 -1.099 2.860 660 HD1 TYR 91 1HD TYR 91 -12.901 -3.414 0.003 661 HD2 TYR 91 2HD TYR 91 -15.464 -1.077 2.538 662 HE1 TYR 91 1HE TYR 91 -14.762 -3.707 -1.609 663 HE2 TYR 91 2HE TYR 91 -17.325 -1.371 0.924 664 HH TYR 91 HH TYR 91 -17.966 -2.258 -0.999 665 H ILE 92 H ILE 92 -9.933 -0.569 0.401 666 HA ILE 92 HA ILE 92 -8.706 0.472 2.916 667 HB ILE 92 HB ILE 92 -7.797 0.845 0.053 668 1HG1 ILE 92 2HG1 ILE 92 -6.243 -1.171 0.889 669 2HG1 ILE 92 1HG1 ILE 92 -7.684 -1.548 1.834 670 1HG2 ILE 92 1HG2 ILE 92 -6.840 2.117 2.127 671 2HG2 ILE 92 2HG2 ILE 92 -5.712 1.381 0.989 672 3HG2 ILE 92 3HG2 ILE 92 -6.081 0.572 2.512 673 1HD1 ILE 92 1HD1 ILE 92 -8.544 -0.869 -0.794 674 2HD1 ILE 92 2HD1 ILE 92 -8.637 -2.439 0.004 675 3HD1 ILE 92 3HD1 ILE 92 -7.217 -2.019 -0.954 676 H VAL 93 H VAL 93 -8.870 2.658 3.432 677 HA VAL 93 HA VAL 93 -10.334 4.403 1.477 678 HB VAL 93 HB VAL 93 -10.540 4.160 4.492 679 1HG1 VAL 93 1HG1 VAL 93 -10.699 6.529 3.364 680 2HG1 VAL 93 2HG1 VAL 93 -11.925 6.042 4.535 681 3HG1 VAL 93 3HG1 VAL 93 -12.270 5.951 2.807 682 1HG2 VAL 93 1HG2 VAL 93 -12.078 3.171 2.169 683 2HG2 VAL 93 2HG2 VAL 93 -13.054 3.911 3.438 684 3HG2 VAL 93 3HG2 VAL 93 -12.003 2.547 3.816 685 H VAL 94 H VAL 94 -8.879 5.924 0.772 686 HA VAL 94 HA VAL 94 -6.793 6.917 2.663 687 HB VAL 94 HB VAL 94 -7.189 6.949 -0.338 688 1HG1 VAL 94 1HG1 VAL 94 -4.676 7.938 0.036 689 2HG1 VAL 94 2HG1 VAL 94 -5.524 8.682 1.391 690 3HG1 VAL 94 3HG1 VAL 94 -6.090 8.948 -0.258 691 1HG2 VAL 94 1HG2 VAL 94 -5.580 5.316 -0.387 692 2HG2 VAL 94 2HG2 VAL 94 -6.145 5.023 1.257 693 3HG2 VAL 94 3HG2 VAL 94 -4.701 5.998 0.981 694 H GLY 95 H GLY 95 -8.138 8.404 3.865 695 1HA GLY 95 2HA GLY 95 -8.604 10.946 2.464 696 2HA GLY 95 1HA GLY 95 -10.053 10.173 3.104 697 H MET 96 H MET 96 -9.356 12.640 4.093 698 HA MET 96 HA MET 96 -8.059 12.082 6.733 699 1HB MET 96 2HB MET 96 -7.780 14.563 6.751 700 2HB MET 96 1HB MET 96 -7.047 13.824 5.327 701 1HG MET 96 2HG MET 96 -8.929 14.439 3.948 702 2HG MET 96 1HG MET 96 -9.849 14.976 5.354 703 1HE MET 96 1HE MET 96 -6.657 15.030 3.644 704 2HE MET 96 2HE MET 96 -5.791 16.041 4.799 705 3HE MET 96 3HE MET 96 -6.289 16.715 3.249 706 H GLY 97 H GLY 97 -9.257 14.537 7.854 707 1HA GLY 97 2HA GLY 97 -11.717 13.371 8.862 708 2HA GLY 97 1HA GLY 97 -11.094 14.974 9.262 709 H ASP 98 H ASP 98 -10.961 16.114 6.704 710 HA ASP 98 HA ASP 98 -13.753 16.806 6.272 711 1HB ASP 98 2HB ASP 98 -11.824 18.361 6.091 712 2HB ASP 98 1HB ASP 98 -11.231 17.445 4.705 713 H LYS 99 H LYS 99 -12.066 16.577 3.311 714 HA LYS 99 HA LYS 99 -14.010 14.693 2.246 715 1HB LYS 99 2HB LYS 99 -13.112 16.700 1.061 716 2HB LYS 99 1HB LYS 99 -11.524 15.932 1.029 717 1HG LYS 99 2HG LYS 99 -12.119 14.461 -0.615 718 2HG LYS 99 1HG LYS 99 -13.761 14.282 0.003 719 1HD LYS 99 2HD LYS 99 -14.528 15.771 -1.497 720 2HD LYS 99 1HD LYS 99 -13.382 16.982 -0.920 721 1HE LYS 99 2HE LYS 99 -12.966 16.554 -3.301 722 2HE LYS 99 1HE LYS 99 -11.613 15.898 -2.357 723 1HZ LYS 99 1HZ LYS 99 -12.513 14.283 -3.974 724 2HZ LYS 99 2HZ LYS 99 -14.012 14.343 -3.174 725 3HZ LYS 99 3HZ LYS 99 -12.640 13.741 -2.371 726 H GLN 100 H GLN 100 -13.673 12.512 1.852 727 HA GLN 100 HA GLN 100 -10.896 11.443 2.070 728 1HB GLN 100 2HB GLN 100 -12.006 9.580 3.487 729 2HB GLN 100 1HB GLN 100 -11.746 11.142 4.266 730 1HG GLN 100 2HG GLN 100 -14.000 10.430 4.773 731 2HG GLN 100 1HG GLN 100 -14.103 11.765 3.622 732 1HE2 GLN 100 1HE2 GLN 100 -15.272 11.368 1.738 733 2HE2 GLN 100 2HE2 GLN 100 -15.695 9.827 1.171 734 H ILE 101 H ILE 101 -10.599 9.482 0.879 735 HA ILE 101 HA ILE 101 -12.846 8.821 -0.992 736 HB ILE 101 HB ILE 101 -9.835 8.914 -1.248 737 1HG1 ILE 101 2HG1 ILE 101 -11.704 10.011 -3.283 738 2HG1 ILE 101 1HG1 ILE 101 -11.708 10.817 -1.715 739 1HG2 ILE 101 1HG2 ILE 101 -10.344 6.869 -2.335 740 2HG2 ILE 101 2HG2 ILE 101 -10.335 8.064 -3.633 741 3HG2 ILE 101 3HG2 ILE 101 -11.866 7.491 -2.972 742 1HD1 ILE 101 1HD1 ILE 101 -9.325 10.362 -3.529 743 2HD1 ILE 101 2HD1 ILE 101 -9.193 10.960 -1.875 744 3HD1 ILE 101 3HD1 ILE 101 -10.049 11.909 -3.091 745 H ASN 102 H ASN 102 -13.283 6.599 -1.358 746 HA ASN 102 HA ASN 102 -11.760 4.657 0.346 747 1HB ASN 102 2HB ASN 102 -13.979 3.616 0.819 748 2HB ASN 102 1HB ASN 102 -13.885 5.280 1.397 749 1HD2 ASN 102 1HD2 ASN 102 -16.368 3.867 0.660 750 2HD2 ASN 102 2HD2 ASN 102 -17.048 4.726 -0.635 751 H HIS 103 H HIS 103 -11.060 2.912 -0.806 752 HA HIS 103 HA HIS 103 -12.506 2.166 -3.318 753 1HB HIS 103 2HB HIS 103 -9.689 3.015 -2.839 754 2HB HIS 103 1HB HIS 103 -9.933 1.694 -3.984 755 HD1 HIS 103 1HD HIS 103 -12.814 3.908 -3.913 756 HD2 HIS 103 2HD HIS 103 -9.162 3.851 -5.921 757 HE1 HIS 103 1HE HIS 103 -13.049 5.496 -5.868 758 H HIS 104 H HIS 104 -11.957 -0.102 -3.992 759 HA HIS 104 HA HIS 104 -10.998 -1.797 -1.715 760 1HB HIS 104 2HB HIS 104 -12.912 -3.234 -2.030 761 2HB HIS 104 1HB HIS 104 -13.519 -1.581 -1.927 762 HD1 HIS 104 1HD HIS 104 -13.454 -4.514 -4.126 763 HD2 HIS 104 2HD HIS 104 -14.100 -0.421 -4.587 764 HE1 HIS 104 1HE HIS 104 -14.552 -4.213 -6.389 765 H TRP 105 H TRP 105 -10.369 -4.015 -2.486 766 HA TRP 105 HA TRP 105 -9.769 -4.195 -5.378 767 1HB TRP 105 2HB TRP 105 -7.851 -4.100 -3.064 768 2HB TRP 105 1HB TRP 105 -7.410 -4.963 -4.537 769 HD1 TRP 105 HD TRP 105 -7.241 -1.642 -3.052 770 HE1 TRP 105 1HE TRP 105 -6.777 0.160 -4.836 771 HE3 TRP 105 3HE TRP 105 -8.187 -4.332 -7.289 772 HZ2 TRP 105 2HZ TRP 105 -6.805 0.425 -7.685 773 HZ3 TRP 105 3HZ TRP 105 -7.961 -3.282 -9.521 774 HH2 TRP 105 HH TRP 105 -7.272 -0.909 -9.726 775 H HIS 106 H HIS 106 -10.082 -6.277 -6.108 776 HA HIS 106 HA HIS 106 -10.295 -8.444 -4.042 777 1HB HIS 106 2HB HIS 106 -12.452 -7.844 -4.984 778 2HB HIS 106 1HB HIS 106 -11.804 -7.929 -6.623 779 HD1 HIS 106 1HD HIS 106 -12.850 -10.097 -3.733 780 HD2 HIS 106 2HD HIS 106 -11.508 -10.559 -7.652 781 HE1 HIS 106 1HE HIS 106 -13.195 -12.535 -4.325 782 H LYS 107 H LYS 107 -8.994 -10.220 -4.395 783 HA LYS 107 HA LYS 107 -7.479 -10.323 -6.976 784 1HB LYS 107 2HB LYS 107 -5.766 -11.454 -5.629 785 2HB LYS 107 1HB LYS 107 -6.232 -9.941 -4.850 786 1HG LYS 107 2HG LYS 107 -7.419 -11.017 -3.157 787 2HG LYS 107 1HG LYS 107 -7.686 -12.466 -4.129 788 1HD LYS 107 2HD LYS 107 -4.874 -11.720 -3.416 789 2HD LYS 107 1HD LYS 107 -5.888 -12.467 -2.182 790 1HE LYS 107 2HE LYS 107 -5.712 -14.506 -3.165 791 2HE LYS 107 1HE LYS 107 -6.117 -13.837 -4.759 792 1HZ LYS 107 1HZ LYS 107 -3.680 -14.690 -4.144 793 2HZ LYS 107 2HZ LYS 107 -3.539 -13.073 -3.643 794 3HZ LYS 107 3HZ LYS 107 -3.962 -13.434 -5.249 795 H ALA 108 H ALA 108 -9.776 -11.978 -5.012 796 HA ALA 108 HA ALA 108 -10.289 -14.012 -6.966 797 1HB ALA 108 1HB ALA 108 -8.837 -15.662 -6.387 798 2HB ALA 108 2HB ALA 108 -9.103 -15.397 -4.664 799 3HB ALA 108 3HB ALA 108 -7.944 -14.398 -5.542 800 H GLY 109 H GLY 109 -12.066 -15.365 -6.307 801 1HA GLY 109 2HA GLY 109 -13.039 -15.269 -3.549 802 2HA GLY 109 1HA GLY 109 -14.037 -14.358 -4.684 803 H SER 110 H SER 110 -12.292 -17.440 -5.123 804 HA SER 110 HA SER 110 -14.745 -18.623 -6.286 805 1HB SER 110 2HB SER 110 -12.903 -20.546 -6.478 806 2HB SER 110 1HB SER 110 -12.883 -19.157 -7.559 807 HG SER 110 HG SER 110 -10.870 -19.761 -6.353 808 H THR 111 H THR 111 -15.154 -21.005 -5.588 809 HA THR 111 HA THR 111 -14.970 -21.179 -2.598 810 HB THR 111 HB THR 111 -17.235 -20.850 -3.271 811 HG1 THR 111 1HG THR 111 -16.594 -22.892 -2.026 812 1HG2 THR 111 1HG2 THR 111 -17.491 -21.124 -5.522 813 2HG2 THR 111 2HG2 THR 111 -18.034 -22.734 -5.051 814 3HG2 THR 111 3HG2 THR 111 -16.372 -22.486 -5.585 Start of MODEL 2 1 1H ASP 1 1HT ASP 1 14.433 -0.098 14.819 2 2H ASP 1 2HT ASP 1 15.430 -1.408 15.240 3 3H ASP 1 3HT ASP 1 14.086 -1.017 16.203 4 HA ASP 1 HA ASP 1 13.720 -1.750 13.362 5 1HB ASP 1 2HB ASP 1 15.161 -3.438 14.437 6 2HB ASP 1 1HB ASP 1 14.018 -3.570 15.774 7 H LYS 2 H LYS 2 12.552 -2.196 16.732 8 HA LYS 2 HA LYS 2 9.775 -2.450 15.907 9 1HB LYS 2 2HB LYS 2 11.381 -2.907 18.170 10 2HB LYS 2 1HB LYS 2 10.222 -1.677 18.673 11 1HG LYS 2 2HG LYS 2 8.508 -3.268 17.409 12 2HG LYS 2 1HG LYS 2 9.731 -4.486 17.772 13 1HD LYS 2 2HD LYS 2 9.668 -3.567 20.182 14 2HD LYS 2 1HD LYS 2 8.167 -2.774 19.704 15 1HE LYS 2 2HE LYS 2 7.671 -4.967 20.719 16 2HE LYS 2 1HE LYS 2 7.268 -5.008 18.992 17 1HZ LYS 2 1HZ LYS 2 9.995 -5.679 19.868 18 2HZ LYS 2 2HZ LYS 2 9.163 -6.178 18.474 19 3HZ LYS 2 3HZ LYS 2 8.777 -6.853 19.986 20 H LEU 3 H LEU 3 8.279 -0.812 15.669 21 HA LEU 3 HA LEU 3 9.191 1.975 15.830 22 1HB LEU 3 2HB LEU 3 6.987 2.395 14.823 23 2HB LEU 3 1HB LEU 3 7.771 1.042 14.006 24 HG LEU 3 HG LEU 3 6.472 -0.294 15.973 25 1HD1 LEU 3 1HD1 LEU 3 4.307 1.574 15.194 26 2HD1 LEU 3 2HD1 LEU 3 5.472 2.206 16.356 27 3HD1 LEU 3 3HD1 LEU 3 4.572 0.733 16.720 28 1HD2 LEU 3 1HD2 LEU 3 5.463 -1.234 14.177 29 2HD2 LEU 3 2HD2 LEU 3 6.311 -0.032 13.204 30 3HD2 LEU 3 3HD2 LEU 3 4.661 0.276 13.747 31 H ALA 4 H ALA 4 8.657 3.421 17.450 32 HA ALA 4 HA ALA 4 7.369 2.364 19.881 33 1HB ALA 4 1HB ALA 4 8.526 4.072 20.884 34 2HB ALA 4 2HB ALA 4 8.105 5.227 19.619 35 3HB ALA 4 3HB ALA 4 9.419 4.079 19.363 36 H LEU 5 H LEU 5 5.146 2.384 19.920 37 HA LEU 5 HA LEU 5 3.713 4.627 18.551 38 1HB LEU 5 2HB LEU 5 3.443 1.958 18.269 39 2HB LEU 5 1HB LEU 5 2.317 2.212 19.602 40 HG LEU 5 HG LEU 5 1.442 4.197 18.124 41 1HD1 LEU 5 1HD1 LEU 5 1.697 3.830 15.732 42 2HD1 LEU 5 2HD1 LEU 5 2.644 2.370 16.023 43 3HD1 LEU 5 3HD1 LEU 5 3.299 3.948 16.461 44 1HD2 LEU 5 1HD2 LEU 5 0.588 1.748 16.783 45 2HD2 LEU 5 2HD2 LEU 5 -0.332 2.825 17.833 46 3HD2 LEU 5 3HD2 LEU 5 0.661 1.548 18.534 47 H LYS 6 H LYS 6 3.644 6.228 20.169 48 HA LYS 6 HA LYS 6 2.581 5.431 22.851 49 1HB LYS 6 2HB LYS 6 3.674 7.414 23.637 50 2HB LYS 6 1HB LYS 6 4.799 6.669 22.501 51 1HG LYS 6 2HG LYS 6 3.631 8.174 20.720 52 2HG LYS 6 1HG LYS 6 3.059 9.096 22.112 53 1HD LYS 6 2HD LYS 6 5.040 10.185 21.999 54 2HD LYS 6 1HD LYS 6 5.739 8.721 22.690 55 1HE LYS 6 2HE LYS 6 7.042 8.895 20.771 56 2HE LYS 6 1HE LYS 6 5.689 7.959 20.107 57 1HZ LYS 6 1HZ LYS 6 5.441 9.679 18.714 58 2HZ LYS 6 2HZ LYS 6 6.401 10.717 19.656 59 3HZ LYS 6 3HZ LYS 6 4.761 10.495 20.037 60 H GLY 7 H GLY 7 1.563 7.902 23.636 61 1HA GLY 7 2HA GLY 7 -0.811 8.134 21.848 62 2HA GLY 7 1HA GLY 7 -0.786 8.569 23.558 63 H THR 8 H THR 8 0.889 9.478 20.522 64 HA THR 8 HA THR 8 0.801 12.322 21.480 65 HB THR 8 HB THR 8 2.811 10.837 19.757 66 HG1 THR 8 1HG THR 8 2.777 11.802 22.407 67 1HG2 THR 8 1HG2 THR 8 3.840 12.818 19.270 68 2HG2 THR 8 2HG2 THR 8 3.377 13.555 20.803 69 3HG2 THR 8 3HG2 THR 8 2.210 13.459 19.483 70 H THR 9 H THR 9 0.227 13.902 19.908 71 HA THR 9 HA THR 9 -1.070 12.799 17.444 72 HB THR 9 HB THR 9 -2.170 15.190 17.663 73 HG1 THR 9 1HG THR 9 -0.678 15.793 19.332 74 1HG2 THR 9 1HG2 THR 9 -3.954 14.036 18.437 75 2HG2 THR 9 2HG2 THR 9 -3.117 13.580 19.921 76 3HG2 THR 9 3HG2 THR 9 -2.883 12.636 18.450 77 H TYR 10 H TYR 10 -0.433 13.603 15.437 78 HA TYR 10 HA TYR 10 1.601 15.809 15.419 79 1HB TYR 10 2HB TYR 10 2.555 14.345 13.464 80 2HB TYR 10 1HB TYR 10 2.882 13.860 15.128 81 HD1 TYR 10 1HD TYR 10 2.224 11.737 15.901 82 HD2 TYR 10 2HD TYR 10 0.462 13.333 12.322 83 HE1 TYR 10 1HE TYR 10 1.084 9.572 15.497 84 HE2 TYR 10 2HE TYR 10 -0.678 11.167 11.918 85 HH TYR 10 HH TYR 10 -0.840 9.030 12.557 86 H GLY 11 H GLY 11 1.895 16.506 12.965 87 1HA GLY 11 2HA GLY 11 -0.766 17.268 12.012 88 2HA GLY 11 1HA GLY 11 0.769 17.767 11.304 89 H MET 12 H MET 12 -1.835 15.542 11.097 90 HA MET 12 HA MET 12 -0.405 14.001 8.959 91 1HB MET 12 2HB MET 12 -2.296 12.346 9.471 92 2HB MET 12 1HB MET 12 -1.116 12.589 10.759 93 1HG MET 12 2HG MET 12 -2.597 13.759 12.087 94 2HG MET 12 1HG MET 12 -3.503 14.383 10.709 95 1HE MET 12 1HE MET 12 -3.171 12.131 13.467 96 2HE MET 12 2HE MET 12 -4.661 11.192 13.458 97 3HE MET 12 3HE MET 12 -4.737 12.952 13.529 98 H CYS 13 H CYS 13 -0.925 15.091 7.048 99 HA CYS 13 HA CYS 13 -3.804 15.225 6.348 100 1HB CYS 13 2HB CYS 13 -3.761 17.566 5.939 101 2HB CYS 13 1HB CYS 13 -2.931 17.370 7.479 102 H THR 14 H THR 14 -3.703 13.908 4.538 103 HA THR 14 HA THR 14 -2.167 14.867 2.221 104 HB THR 14 HB THR 14 -1.620 12.098 3.307 105 HG1 THR 14 1HG THR 14 -0.744 13.316 4.845 106 1HG2 THR 14 1HG2 THR 14 -1.051 13.369 0.876 107 2HG2 THR 14 2HG2 THR 14 -0.333 11.875 1.475 108 3HG2 THR 14 3HG2 THR 14 0.464 13.419 1.779 109 H GLU 15 H GLU 15 -4.980 14.497 2.667 110 HA GLU 15 HA GLU 15 -5.959 11.985 1.683 111 1HB GLU 15 2HB GLU 15 -8.042 13.203 1.495 112 2HB GLU 15 1HB GLU 15 -7.197 13.823 2.913 113 1HG GLU 15 2HG GLU 15 -6.317 15.699 1.562 114 2HG GLU 15 1HG GLU 15 -7.194 15.090 0.157 115 H LYS 16 H LYS 16 -4.144 14.360 0.117 116 HA LYS 16 HA LYS 16 -5.407 14.147 -2.526 117 1HB LYS 16 2HB LYS 16 -2.802 15.325 -1.505 118 2HB LYS 16 1HB LYS 16 -3.410 15.533 -3.148 119 1HG LYS 16 2HG LYS 16 -5.391 16.161 -1.066 120 2HG LYS 16 1HG LYS 16 -3.976 17.215 -1.044 121 1HD LYS 16 2HD LYS 16 -4.365 17.284 -3.654 122 2HD LYS 16 1HD LYS 16 -6.009 16.819 -3.215 123 1HE LYS 16 2HE LYS 16 -4.588 19.163 -1.917 124 2HE LYS 16 1HE LYS 16 -5.613 19.337 -3.355 125 1HZ LYS 16 1HZ LYS 16 -7.291 17.967 -2.031 126 2HZ LYS 16 2HZ LYS 16 -7.090 19.594 -1.587 127 3HZ LYS 16 3HZ LYS 16 -6.366 18.363 -0.667 128 H PHE 17 H PHE 17 -5.032 11.576 -2.030 129 HA PHE 17 HA PHE 17 -2.344 10.757 -3.041 130 1HB PHE 17 2HB PHE 17 -4.269 9.782 -1.144 131 2HB PHE 17 1HB PHE 17 -4.061 8.565 -2.405 132 HD1 PHE 17 1HD PHE 17 -1.498 11.029 -1.333 133 HD2 PHE 17 2HD PHE 17 -2.793 6.936 -1.186 134 HE1 PHE 17 1HE PHE 17 0.681 10.375 -0.348 135 HE2 PHE 17 2HE PHE 17 -0.613 6.282 -0.202 136 HZ PHE 17 HZ PHE 17 1.125 8.000 0.215 137 H SER 18 H SER 18 -2.160 9.667 -5.025 138 HA SER 18 HA SER 18 -4.703 9.305 -6.583 139 1HB SER 18 2HB SER 18 -3.114 11.301 -7.090 140 2HB SER 18 1HB SER 18 -2.036 10.081 -7.764 141 HG SER 18 HG SER 18 -4.697 10.701 -8.529 142 H PHE 19 H PHE 19 -4.795 7.029 -6.316 143 HA PHE 19 HA PHE 19 -2.567 5.253 -6.465 144 1HB PHE 19 2HB PHE 19 -4.493 3.621 -7.021 145 2HB PHE 19 1HB PHE 19 -4.591 4.488 -5.494 146 HD1 PHE 19 1HD PHE 19 -6.354 6.041 -5.063 147 HD2 PHE 19 2HD PHE 19 -5.807 4.438 -9.011 148 HE1 PHE 19 1HE PHE 19 -8.534 6.999 -5.754 149 HE2 PHE 19 2HE PHE 19 -7.985 5.400 -9.703 150 HZ PHE 19 HZ PHE 19 -9.349 6.680 -8.074 151 H ALA 20 H ALA 20 -1.295 4.945 -8.236 152 HA ALA 20 HA ALA 20 -2.440 5.426 -10.950 153 1HB ALA 20 1HB ALA 20 0.404 4.876 -10.808 154 2HB ALA 20 2HB ALA 20 -0.048 6.093 -9.613 155 3HB ALA 20 3HB ALA 20 -0.411 6.354 -11.320 156 H LYS 21 H LYS 21 -1.224 2.913 -8.854 157 HA LYS 21 HA LYS 21 -1.668 0.933 -11.052 158 1HB LYS 21 2HB LYS 21 0.606 0.765 -9.071 159 2HB LYS 21 1HB LYS 21 0.434 -0.083 -10.607 160 1HG LYS 21 2HG LYS 21 0.376 2.373 -11.592 161 2HG LYS 21 1HG LYS 21 1.218 2.763 -10.093 162 1HD LYS 21 2HD LYS 21 2.866 2.259 -11.815 163 2HD LYS 21 1HD LYS 21 2.880 0.968 -10.612 164 1HE LYS 21 2HE LYS 21 0.933 0.147 -12.442 165 2HE LYS 21 1HE LYS 21 2.233 0.811 -13.452 166 1HZ LYS 21 1HZ LYS 21 3.831 -0.525 -12.352 167 2HZ LYS 21 2HZ LYS 21 2.550 -1.564 -12.759 168 3HZ LYS 21 3HZ LYS 21 2.724 -1.011 -11.162 169 H ASN 22 H ASN 22 -2.538 -1.046 -10.316 170 HA ASN 22 HA ASN 22 -3.997 -1.034 -7.837 171 1HB ASN 22 2HB ASN 22 -4.557 -3.320 -8.529 172 2HB ASN 22 1HB ASN 22 -4.575 -2.261 -9.938 173 1HD2 ASN 22 1HD2 ASN 22 -3.777 -3.536 -11.634 174 2HD2 ASN 22 2HD2 ASN 22 -2.340 -4.437 -11.565 175 HA PRO 23 HA PRO 23 -1.067 -2.659 -5.006 176 1HB PRO 23 2HB PRO 23 -2.614 -4.338 -3.492 177 2HB PRO 23 1HB PRO 23 -2.720 -2.569 -3.388 178 1HG PRO 23 2HG PRO 23 -4.489 -4.491 -4.815 179 2HG PRO 23 1HG PRO 23 -4.907 -3.023 -3.919 180 1HD PRO 23 2HD PRO 23 -4.788 -3.142 -6.641 181 2HD PRO 23 1HD PRO 23 -4.502 -1.655 -5.710 182 H ALA 24 H ALA 24 0.476 -4.073 -5.775 183 HA ALA 24 HA ALA 24 -0.398 -6.757 -6.764 184 1HB ALA 24 1HB ALA 24 2.168 -6.558 -7.514 185 2HB ALA 24 2HB ALA 24 1.836 -4.840 -7.287 186 3HB ALA 24 3HB ALA 24 0.877 -5.780 -8.430 187 H ASP 25 H ASP 25 0.362 -8.621 -5.759 188 HA ASP 25 HA ASP 25 1.685 -8.293 -3.132 189 1HB ASP 25 2HB ASP 25 -0.367 -9.782 -3.900 190 2HB ASP 25 1HB ASP 25 0.903 -10.910 -4.379 191 H THR 26 H THR 26 3.911 -8.177 -3.234 192 HA THR 26 HA THR 26 5.407 -9.565 -5.363 193 HB THR 26 HB THR 26 7.173 -8.483 -3.486 194 HG1 THR 26 1HG THR 26 5.775 -7.392 -2.301 195 1HG2 THR 26 1HG2 THR 26 6.086 -6.656 -5.553 196 2HG2 THR 26 2HG2 THR 26 6.666 -8.217 -6.132 197 3HG2 THR 26 3HG2 THR 26 7.752 -7.146 -5.246 198 H GLY 27 H GLY 27 4.239 -11.601 -4.113 199 1HA GLY 27 2HA GLY 27 5.686 -13.613 -3.436 200 2HA GLY 27 1HA GLY 27 6.202 -12.597 -2.088 201 H HIS 28 H HIS 28 5.221 -13.330 -0.264 202 HA HIS 28 HA HIS 28 2.268 -13.843 -0.384 203 1HB HIS 28 2HB HIS 28 2.774 -15.716 1.252 204 2HB HIS 28 1HB HIS 28 3.414 -15.973 -0.371 205 HD1 HIS 28 1HD HIS 28 4.445 -15.534 3.156 206 HD2 HIS 28 2HD HIS 28 6.283 -15.491 -0.585 207 HE1 HIS 28 1HE HIS 28 6.936 -15.701 3.581 208 H GLY 29 H GLY 29 1.949 -11.714 0.560 209 1HA GLY 29 2HA GLY 29 1.243 -10.922 2.815 210 2HA GLY 29 1HA GLY 29 2.758 -11.580 3.438 211 H THR 30 H THR 30 2.555 -9.828 0.394 212 HA THR 30 HA THR 30 3.566 -7.333 1.620 213 HB THR 30 HB THR 30 5.527 -7.719 -0.209 214 HG1 THR 30 1HG THR 30 5.081 -9.738 -0.830 215 1HG2 THR 30 1HG2 THR 30 6.866 -7.742 1.626 216 2HG2 THR 30 2HG2 THR 30 6.053 -9.146 2.318 217 3HG2 THR 30 3HG2 THR 30 5.356 -7.537 2.514 218 H VAL 31 H VAL 31 2.208 -5.919 0.554 219 HA VAL 31 HA VAL 31 1.742 -6.325 -2.352 220 HB VAL 31 HB VAL 31 0.234 -4.744 -0.252 221 1HG1 VAL 31 1HG1 VAL 31 -0.749 -5.495 -3.004 222 2HG1 VAL 31 2HG1 VAL 31 0.154 -4.003 -2.735 223 3HG1 VAL 31 3HG1 VAL 31 -1.382 -4.266 -1.908 224 1HG2 VAL 31 1HG2 VAL 31 -0.644 -7.269 -1.665 225 2HG2 VAL 31 2HG2 VAL 31 -1.338 -6.531 -0.221 226 3HG2 VAL 31 3HG2 VAL 31 0.239 -7.316 -0.139 227 H VAL 32 H VAL 32 2.085 -4.547 -3.779 228 HA VAL 32 HA VAL 32 3.510 -2.198 -2.575 229 HB VAL 32 HB VAL 32 4.087 -3.095 -5.359 230 1HG1 VAL 32 1HG1 VAL 32 5.213 -1.400 -3.390 231 2HG1 VAL 32 2HG1 VAL 32 5.855 -1.756 -4.994 232 3HG1 VAL 32 3HG1 VAL 32 6.347 -2.733 -3.610 233 1HG2 VAL 32 1HG2 VAL 32 4.230 -5.268 -4.563 234 2HG2 VAL 32 2HG2 VAL 32 4.562 -4.751 -2.910 235 3HG2 VAL 32 3HG2 VAL 32 5.837 -4.687 -4.126 236 H ILE 33 H ILE 33 2.286 -0.388 -2.894 237 HA ILE 33 HA ILE 33 0.605 -0.218 -5.376 238 HB ILE 33 HB ILE 33 -0.582 -0.337 -3.185 239 1HG1 ILE 33 2HG1 ILE 33 -1.268 2.393 -3.681 240 2HG1 ILE 33 1HG1 ILE 33 -0.861 1.650 -5.228 241 1HG2 ILE 33 1HG2 ILE 33 -0.126 2.235 -2.145 242 2HG2 ILE 33 2HG2 ILE 33 1.476 1.592 -2.501 243 3HG2 ILE 33 3HG2 ILE 33 0.388 0.704 -1.435 244 1HD1 ILE 33 1HD1 ILE 33 -2.715 0.354 -5.213 245 2HD1 ILE 33 2HD1 ILE 33 -3.298 1.419 -3.933 246 3HD1 ILE 33 3HD1 ILE 33 -2.487 -0.092 -3.522 247 H GLU 34 H GLU 34 0.664 1.792 -6.519 248 HA GLU 34 HA GLU 34 2.835 3.679 -5.658 249 1HB GLU 34 2HB GLU 34 3.355 2.090 -7.562 250 2HB GLU 34 1HB GLU 34 2.082 2.887 -8.485 251 1HG GLU 34 2HG GLU 34 4.116 4.646 -7.207 252 2HG GLU 34 1HG GLU 34 4.643 3.693 -8.594 253 H LEU 35 H LEU 35 1.614 5.421 -4.939 254 HA LEU 35 HA LEU 35 -0.431 6.526 -6.842 255 1HB LEU 35 2HB LEU 35 -0.488 7.040 -3.885 256 2HB LEU 35 1HB LEU 35 -1.832 6.956 -5.024 257 HG LEU 35 HG LEU 35 -1.131 4.445 -5.266 258 1HD1 LEU 35 1HD1 LEU 35 0.630 3.855 -3.989 259 2HD1 LEU 35 2HD1 LEU 35 -0.395 4.109 -2.575 260 3HD1 LEU 35 3HD1 LEU 35 0.627 5.418 -3.171 261 1HD2 LEU 35 1HD2 LEU 35 -2.302 4.345 -2.721 262 2HD2 LEU 35 2HD2 LEU 35 -3.156 4.388 -4.264 263 3HD2 LEU 35 3HD2 LEU 35 -2.832 5.887 -3.393 264 H SER 36 H SER 36 -0.278 8.798 -7.187 265 HA SER 36 HA SER 36 2.242 10.026 -6.282 266 1HB SER 36 2HB SER 36 0.863 11.754 -7.994 267 2HB SER 36 1HB SER 36 2.141 10.636 -8.457 268 HG SER 36 HG SER 36 -0.373 10.580 -9.189 269 H TYR 37 H TYR 37 2.267 11.673 -4.759 270 HA TYR 37 HA TYR 37 -0.361 12.452 -3.618 271 1HB TYR 37 2HB TYR 37 1.213 11.803 -1.984 272 2HB TYR 37 1HB TYR 37 2.540 12.625 -2.806 273 HD1 TYR 37 1HD TYR 37 3.337 14.446 -1.602 274 HD2 TYR 37 2HD TYR 37 -0.883 13.645 -1.636 275 HE1 TYR 37 1HE TYR 37 2.942 16.471 -0.228 276 HE2 TYR 37 2HE TYR 37 -1.278 15.672 -0.261 277 HH TYR 37 HH TYR 37 0.807 18.098 0.074 278 H SER 38 H SER 38 -1.180 14.018 -5.073 279 HA SER 38 HA SER 38 0.554 16.261 -5.877 280 1HB SER 38 2HB SER 38 -1.205 16.701 -7.463 281 2HB SER 38 1HB SER 38 -0.980 14.954 -7.425 282 HG SER 38 HG SER 38 -2.999 16.524 -6.215 283 H GLY 39 H GLY 39 0.509 16.850 -3.415 284 1HA GLY 39 2HA GLY 39 -1.891 18.564 -2.909 285 2HA GLY 39 1HA GLY 39 -1.055 17.701 -1.618 286 H SER 40 H SER 40 -1.430 20.707 -2.666 287 HA SER 40 HA SER 40 1.414 21.546 -2.656 288 1HB SER 40 2HB SER 40 0.287 23.790 -3.059 289 2HB SER 40 1HB SER 40 -0.055 22.560 -4.273 290 HG SER 40 HG SER 40 -1.904 23.767 -3.377 291 H ASP 41 H ASP 41 -0.078 20.445 -0.210 292 HA ASP 41 HA ASP 41 -0.052 22.834 1.570 293 1HB ASP 41 2HB ASP 41 -1.266 21.401 3.075 294 2HB ASP 41 1HB ASP 41 -1.921 21.100 1.465 295 H GLY 42 H GLY 42 2.124 20.561 0.470 296 1HA GLY 42 2HA GLY 42 4.409 20.480 1.265 297 2HA GLY 42 1HA GLY 42 3.836 20.957 2.865 298 HA PRO 43 HA PRO 43 4.442 16.377 2.815 299 1HB PRO 43 2HB PRO 43 6.047 16.288 5.031 300 2HB PRO 43 1HB PRO 43 6.677 16.512 3.387 301 1HG PRO 43 2HG PRO 43 6.242 18.507 5.539 302 2HG PRO 43 1HG PRO 43 7.525 18.417 4.324 303 1HD PRO 43 2HD PRO 43 5.373 20.116 4.174 304 2HD PRO 43 1HD PRO 43 6.304 19.552 2.769 305 H CYS 44 H CYS 44 3.445 14.905 4.320 306 HA CYS 44 HA CYS 44 2.410 15.781 6.902 307 1HB CYS 44 2HB CYS 44 1.035 16.502 4.530 308 2HB CYS 44 1HB CYS 44 0.108 15.196 5.262 309 H LYS 45 H LYS 45 1.113 14.010 7.905 310 HA LYS 45 HA LYS 45 2.031 11.362 7.087 311 1HB LYS 45 2HB LYS 45 -0.141 12.021 9.086 312 2HB LYS 45 1HB LYS 45 1.001 10.680 9.125 313 1HG LYS 45 2HG LYS 45 1.597 13.613 9.589 314 2HG LYS 45 1HG LYS 45 1.753 12.293 10.744 315 1HD LYS 45 2HD LYS 45 3.807 11.753 9.988 316 2HD LYS 45 1HD LYS 45 3.270 11.779 8.309 317 1HE LYS 45 2HE LYS 45 4.511 13.673 8.091 318 2HE LYS 45 1HE LYS 45 3.262 14.475 9.063 319 1HZ LYS 45 1HZ LYS 45 5.008 14.783 10.457 320 2HZ LYS 45 2HZ LYS 45 5.861 13.429 9.885 321 3HZ LYS 45 3HZ LYS 45 4.575 13.228 10.977 322 H ILE 46 H ILE 46 0.888 9.905 5.812 323 HA ILE 46 HA ILE 46 -1.665 10.818 4.630 324 HB ILE 46 HB ILE 46 -0.195 8.231 4.096 325 1HG1 ILE 46 2HG1 ILE 46 0.443 10.948 2.902 326 2HG1 ILE 46 1HG1 ILE 46 1.435 10.141 4.116 327 1HG2 ILE 46 1HG2 ILE 46 -2.445 8.767 3.044 328 2HG2 ILE 46 2HG2 ILE 46 -1.141 8.468 1.893 329 3HG2 ILE 46 3HG2 ILE 46 -1.658 10.120 2.231 330 1HD1 ILE 46 1HD1 ILE 46 1.460 9.758 1.284 331 2HD1 ILE 46 2HD1 ILE 46 0.900 8.263 2.032 332 3HD1 ILE 46 3HD1 ILE 46 2.452 8.955 2.500 333 HA PRO 47 HA PRO 47 -3.655 8.294 7.782 334 1HB PRO 47 2HB PRO 47 -6.139 9.377 7.409 335 2HB PRO 47 1HB PRO 47 -4.877 10.164 8.377 336 1HG PRO 47 2HG PRO 47 -5.770 10.743 5.605 337 2HG PRO 47 1HG PRO 47 -5.236 11.852 6.876 338 1HD PRO 47 2HD PRO 47 -3.676 11.051 4.763 339 2HD PRO 47 1HD PRO 47 -3.041 11.628 6.319 340 H ILE 48 H ILE 48 -3.624 6.256 6.739 341 HA ILE 48 HA ILE 48 -5.832 5.780 4.761 342 HB ILE 48 HB ILE 48 -2.961 4.840 4.874 343 1HG1 ILE 48 2HG1 ILE 48 -4.017 5.582 2.291 344 2HG1 ILE 48 1HG1 ILE 48 -4.361 6.855 3.462 345 1HG2 ILE 48 1HG2 ILE 48 -3.649 3.424 2.852 346 2HG2 ILE 48 2HG2 ILE 48 -5.313 3.653 3.388 347 3HG2 ILE 48 3HG2 ILE 48 -4.157 2.825 4.431 348 1HD1 ILE 48 1HD1 ILE 48 -2.068 6.892 2.215 349 2HD1 ILE 48 2HD1 ILE 48 -1.625 5.608 3.340 350 3HD1 ILE 48 3HD1 ILE 48 -2.092 7.194 3.953 351 H VAL 49 H VAL 49 -6.903 3.746 4.977 352 HA VAL 49 HA VAL 49 -6.231 2.190 7.454 353 HB VAL 49 HB VAL 49 -8.153 3.576 7.891 354 1HG1 VAL 49 1HG1 VAL 49 -10.119 3.556 6.370 355 2HG1 VAL 49 2HG1 VAL 49 -9.223 2.529 5.252 356 3HG1 VAL 49 3HG1 VAL 49 -8.674 4.174 5.570 357 1HG2 VAL 49 1HG2 VAL 49 -9.705 1.936 8.519 358 2HG2 VAL 49 2HG2 VAL 49 -8.229 0.989 8.331 359 3HG2 VAL 49 3HG2 VAL 49 -9.445 0.991 7.053 360 H SER 50 H SER 50 -5.994 0.016 7.050 361 HA SER 50 HA SER 50 -7.002 -1.028 4.423 362 1HB SER 50 2HB SER 50 -4.438 -0.940 5.600 363 2HB SER 50 1HB SER 50 -4.954 -2.620 5.725 364 HG SER 50 HG SER 50 -4.450 -2.726 3.692 365 H VAL 51 H VAL 51 -8.926 -2.067 4.941 366 HA VAL 51 HA VAL 51 -8.788 -4.108 7.129 367 HB VAL 51 HB VAL 51 -11.237 -2.463 6.482 368 1HG1 VAL 51 1HG1 VAL 51 -10.280 -3.946 8.950 369 2HG1 VAL 51 2HG1 VAL 51 -11.524 -4.502 7.833 370 3HG1 VAL 51 3HG1 VAL 51 -11.803 -3.066 8.818 371 1HG2 VAL 51 1HG2 VAL 51 -9.012 -1.813 8.444 372 2HG2 VAL 51 2HG2 VAL 51 -10.567 -0.983 8.373 373 3HG2 VAL 51 3HG2 VAL 51 -9.447 -0.873 7.016 374 H ALA 52 H ALA 52 -10.430 -5.829 6.854 375 HA ALA 52 HA ALA 52 -10.425 -7.043 4.305 376 1HB ALA 52 1HB ALA 52 -10.847 -8.397 6.182 377 2HB ALA 52 2HB ALA 52 -12.433 -8.302 5.416 378 3HB ALA 52 3HB ALA 52 -12.069 -7.294 6.816 379 H SER 53 H SER 53 -12.366 -7.488 2.924 380 HA SER 53 HA SER 53 -13.591 -5.130 1.938 381 1HB SER 53 2HB SER 53 -13.625 -6.851 0.415 382 2HB SER 53 1HB SER 53 -13.866 -8.076 1.657 383 HG SER 53 HG SER 53 -15.694 -6.646 0.182 384 H LEU 54 H LEU 54 -15.180 -3.915 2.848 385 HA LEU 54 HA LEU 54 -17.305 -3.465 3.831 386 1HB LEU 54 2HB LEU 54 -17.445 -6.107 3.100 387 2HB LEU 54 1HB LEU 54 -17.685 -6.210 4.844 388 HG LEU 54 HG LEU 54 -19.218 -4.000 3.962 389 1HD1 LEU 54 1HD1 LEU 54 -20.113 -6.398 2.408 390 2HD1 LEU 54 2HD1 LEU 54 -18.851 -5.378 1.718 391 3HD1 LEU 54 3HD1 LEU 54 -20.428 -4.690 2.108 392 1HD2 LEU 54 1HD2 LEU 54 -20.731 -6.460 4.352 393 2HD2 LEU 54 2HD2 LEU 54 -20.676 -5.014 5.360 394 3HD2 LEU 54 3HD2 LEU 54 -19.466 -6.281 5.568 395 H ASN 55 H ASN 55 -14.625 -3.518 5.209 396 HA ASN 55 HA ASN 55 -15.683 -3.661 8.009 397 1HB ASN 55 2HB ASN 55 -13.057 -4.649 6.861 398 2HB ASN 55 1HB ASN 55 -13.367 -4.511 8.592 399 1HD2 ASN 55 1HD2 ASN 55 -14.786 -6.071 9.576 400 2HD2 ASN 55 2HD2 ASN 55 -15.390 -7.413 8.732 401 H ASP 56 H ASP 56 -15.950 -1.291 7.753 402 HA ASP 56 HA ASP 56 -13.379 0.230 7.571 403 1HB ASP 56 2HB ASP 56 -16.251 1.195 7.424 404 2HB ASP 56 1HB ASP 56 -14.807 2.092 6.954 405 H MET 57 H MET 57 -14.783 -1.220 9.988 406 HA MET 57 HA MET 57 -14.674 1.151 11.828 407 1HB MET 57 2HB MET 57 -16.372 -1.359 12.013 408 2HB MET 57 1HB MET 57 -16.430 0.014 13.118 409 1HG MET 57 2HG MET 57 -17.105 1.484 11.245 410 2HG MET 57 1HG MET 57 -17.078 0.097 10.156 411 1HE MET 57 1HE MET 57 -19.315 2.347 11.878 412 2HE MET 57 2HE MET 57 -20.770 1.497 11.362 413 3HE MET 57 3HE MET 57 -19.479 1.803 10.204 414 H THR 58 H THR 58 -13.316 -1.858 11.005 415 HA THR 58 HA THR 58 -11.924 -1.967 13.656 416 HB THR 58 HB THR 58 -12.488 -4.530 12.290 417 HG1 THR 58 1HG THR 58 -14.593 -3.266 13.663 418 1HG2 THR 58 1HG2 THR 58 -13.322 -4.889 14.775 419 2HG2 THR 58 2HG2 THR 58 -12.431 -3.393 15.060 420 3HG2 THR 58 3HG2 THR 58 -11.598 -4.808 14.414 421 HA PRO 59 HA PRO 59 -8.385 -2.210 11.038 422 1HB PRO 59 2HB PRO 59 -6.571 -3.068 12.898 423 2HB PRO 59 1HB PRO 59 -7.183 -1.402 12.844 424 1HG PRO 59 2HG PRO 59 -7.949 -3.642 14.639 425 2HG PRO 59 1HG PRO 59 -7.809 -1.912 14.986 426 1HD PRO 59 2HD PRO 59 -10.188 -3.216 14.566 427 2HD PRO 59 1HD PRO 59 -9.940 -1.476 14.304 428 H VAL 60 H VAL 60 -7.935 -3.852 9.612 429 HA VAL 60 HA VAL 60 -7.654 -6.629 10.673 430 HB VAL 60 HB VAL 60 -9.370 -5.664 8.370 431 1HG1 VAL 60 1HG1 VAL 60 -9.624 -8.472 9.070 432 2HG1 VAL 60 2HG1 VAL 60 -7.975 -8.091 8.575 433 3HG1 VAL 60 3HG1 VAL 60 -9.323 -7.741 7.493 434 1HG2 VAL 60 1HG2 VAL 60 -11.217 -6.521 9.681 435 2HG2 VAL 60 2HG2 VAL 60 -10.269 -5.460 10.724 436 3HG2 VAL 60 3HG2 VAL 60 -10.114 -7.211 10.871 437 H GLY 61 H GLY 61 -7.130 -4.348 8.044 438 1HA GLY 61 2HA GLY 61 -5.281 -6.113 6.626 439 2HA GLY 61 1HA GLY 61 -5.611 -4.424 6.231 440 H ARG 62 H ARG 62 -2.956 -5.463 6.303 441 HA ARG 62 HA ARG 62 -1.881 -4.078 8.744 442 1HB ARG 62 2HB ARG 62 -0.697 -6.398 7.187 443 2HB ARG 62 1HB ARG 62 -0.097 -5.740 8.710 444 1HG ARG 62 2HG ARG 62 -2.924 -6.433 8.875 445 2HG ARG 62 1HG ARG 62 -1.933 -7.824 8.433 446 1HD ARG 62 2HD ARG 62 -1.224 -8.001 10.575 447 2HD ARG 62 1HD ARG 62 -0.579 -6.349 10.505 448 HE ARG 62 HE ARG 62 -3.356 -6.053 10.732 449 1HH1 ARG 62 1HH1 ARG 62 -0.632 -7.146 12.522 450 2HH1 ARG 62 2HH1 ARG 62 -1.442 -7.094 14.051 451 1HH2 ARG 62 1HH2 ARG 62 -4.490 -6.135 12.704 452 2HH2 ARG 62 2HH2 ARG 62 -3.626 -6.520 14.155 453 H LEU 63 H LEU 63 0.160 -2.939 8.406 454 HA LEU 63 HA LEU 63 0.510 -2.027 5.577 455 1HB LEU 63 2HB LEU 63 0.947 -0.832 8.313 456 2HB LEU 63 1HB LEU 63 1.728 -0.131 6.895 457 HG LEU 63 HG LEU 63 -1.111 -0.707 6.458 458 1HD1 LEU 63 1HD1 LEU 63 -1.185 1.687 7.961 459 2HD1 LEU 63 2HD1 LEU 63 -0.340 0.506 8.962 460 3HD1 LEU 63 3HD1 LEU 63 -1.959 0.153 8.358 461 1HD2 LEU 63 1HD2 LEU 63 -0.344 0.733 4.857 462 2HD2 LEU 63 2HD2 LEU 63 0.925 1.373 5.902 463 3HD2 LEU 63 3HD2 LEU 63 -0.730 1.964 6.059 464 H VAL 64 H VAL 64 2.443 -2.477 4.564 465 HA VAL 64 HA VAL 64 4.359 -4.283 5.681 466 HB VAL 64 HB VAL 64 4.282 -2.397 3.322 467 1HG1 VAL 64 1HG1 VAL 64 6.505 -4.199 4.272 468 2HG1 VAL 64 2HG1 VAL 64 6.606 -2.533 3.703 469 3HG1 VAL 64 3HG1 VAL 64 6.301 -3.838 2.557 470 1HG2 VAL 64 1HG2 VAL 64 4.208 -4.620 2.115 471 2HG2 VAL 64 2HG2 VAL 64 2.811 -4.307 3.144 472 3HG2 VAL 64 3HG2 VAL 64 4.081 -5.400 3.691 473 H THR 65 H THR 65 3.995 -0.858 6.000 474 HA THR 65 HA THR 65 6.541 -0.743 7.540 475 HB THR 65 HB THR 65 6.815 -0.110 5.064 476 HG1 THR 65 1HG THR 65 8.155 0.607 6.869 477 1HG2 THR 65 1HG2 THR 65 4.521 1.259 5.385 478 2HG2 THR 65 2HG2 THR 65 5.736 1.718 4.192 479 3HG2 THR 65 3HG2 THR 65 5.669 2.550 5.746 480 H VAL 66 H VAL 66 6.648 1.384 8.778 481 HA VAL 66 HA VAL 66 4.440 1.864 10.401 482 HB VAL 66 HB VAL 66 6.445 3.929 9.440 483 1HG1 VAL 66 1HG1 VAL 66 4.656 3.621 11.830 484 2HG1 VAL 66 2HG1 VAL 66 5.002 5.062 10.875 485 3HG1 VAL 66 3HG1 VAL 66 6.200 4.452 12.017 486 1HG2 VAL 66 1HG2 VAL 66 7.419 2.810 11.779 487 2HG2 VAL 66 2HG2 VAL 66 7.999 2.438 10.156 488 3HG2 VAL 66 3HG2 VAL 66 6.782 1.411 10.913 489 H ASN 67 H ASN 67 3.180 4.051 10.446 490 HA ASN 67 HA ASN 67 1.319 4.239 8.388 491 1HB ASN 67 2HB ASN 67 1.197 6.708 9.251 492 2HB ASN 67 1HB ASN 67 0.892 5.399 10.393 493 1HD2 ASN 67 1HD2 ASN 67 1.799 6.171 12.334 494 2HD2 ASN 67 2HD2 ASN 67 3.397 6.725 12.485 495 HA PRO 68 HA PRO 68 3.652 5.916 5.024 496 1HB PRO 68 2HB PRO 68 1.538 6.556 3.409 497 2HB PRO 68 1HB PRO 68 2.103 4.890 3.644 498 1HG PRO 68 2HG PRO 68 -0.221 6.289 4.858 499 2HG PRO 68 1HG PRO 68 -0.066 4.609 4.324 500 1HD PRO 68 2HD PRO 68 0.075 5.405 6.942 501 2HD PRO 68 1HD PRO 68 0.835 3.929 6.308 502 H PHE 69 H PHE 69 4.530 7.891 5.744 503 HA PHE 69 HA PHE 69 2.700 10.252 5.820 504 1HB PHE 69 2HB PHE 69 4.711 11.130 7.196 505 2HB PHE 69 1HB PHE 69 3.689 9.908 7.944 506 HD1 PHE 69 1HD PHE 69 4.588 7.818 8.595 507 HD2 PHE 69 2HD PHE 69 6.838 10.390 5.998 508 HE1 PHE 69 1HE PHE 69 6.555 6.325 8.824 509 HE2 PHE 69 2HE PHE 69 8.807 8.898 6.224 510 HZ PHE 69 HZ PHE 69 8.665 6.866 7.638 511 H VAL 70 H VAL 70 3.104 11.891 4.356 512 HA VAL 70 HA VAL 70 5.290 11.525 2.404 513 HB VAL 70 HB VAL 70 3.100 13.610 2.696 514 1HG1 VAL 70 1HG1 VAL 70 4.081 13.052 0.014 515 2HG1 VAL 70 2HG1 VAL 70 5.378 13.616 1.068 516 3HG1 VAL 70 3HG1 VAL 70 3.930 14.599 0.846 517 1HG2 VAL 70 1HG2 VAL 70 1.712 11.969 2.018 518 2HG2 VAL 70 2HG2 VAL 70 3.057 10.836 1.887 519 3HG2 VAL 70 3HG2 VAL 70 2.635 11.865 0.519 520 H ALA 71 H ALA 71 6.654 11.959 4.629 521 HA ALA 71 HA ALA 71 7.001 14.835 5.189 522 1HB ALA 71 1HB ALA 71 7.195 12.546 6.650 523 2HB ALA 71 2HB ALA 71 8.002 14.049 7.097 524 3HB ALA 71 3HB ALA 71 8.889 12.796 6.227 525 H THR 72 H THR 72 7.575 14.652 2.580 526 HA THR 72 HA THR 72 10.551 14.861 2.502 527 HB THR 72 HB THR 72 9.434 13.618 0.114 528 HG1 THR 72 1HG THR 72 9.228 11.577 1.499 529 1HG2 THR 72 1HG2 THR 72 11.169 11.858 1.419 530 2HG2 THR 72 2HG2 THR 72 11.739 13.463 1.877 531 3HG2 THR 72 3HG2 THR 72 11.606 13.028 0.174 532 H SER 73 H SER 73 11.235 15.928 0.378 533 HA SER 73 HA SER 73 9.332 18.126 -0.254 534 1HB SER 73 2HB SER 73 11.761 18.568 -1.542 535 2HB SER 73 1HB SER 73 11.306 19.207 0.034 536 HG SER 73 HG SER 73 12.624 17.842 0.943 537 H SER 74 H SER 74 10.283 15.134 -1.508 538 HA SER 74 HA SER 74 9.521 15.966 -4.290 539 1HB SER 74 2HB SER 74 11.871 14.811 -3.309 540 2HB SER 74 1HB SER 74 10.994 13.461 -4.021 541 HG SER 74 HG SER 74 10.665 15.083 -5.828 542 H ALA 75 H ALA 75 8.131 14.655 -1.718 543 HA ALA 75 HA ALA 75 7.179 12.090 -2.733 544 1HB ALA 75 1HB ALA 75 5.649 12.329 -0.747 545 2HB ALA 75 2HB ALA 75 6.299 13.950 -0.505 546 3HB ALA 75 3HB ALA 75 7.354 12.544 -0.349 547 H ASN 76 H ASN 76 6.620 15.078 -3.900 548 HA ASN 76 HA ASN 76 3.710 14.994 -4.127 549 1HB ASN 76 2HB ASN 76 5.982 16.786 -4.799 550 2HB ASN 76 1HB ASN 76 4.559 16.927 -5.832 551 1HD2 ASN 76 1HD2 ASN 76 5.822 17.584 -2.638 552 2HD2 ASN 76 2HD2 ASN 76 4.423 18.322 -2.021 553 H SER 77 H SER 77 5.686 12.899 -5.323 554 HA SER 77 HA SER 77 4.642 13.051 -8.125 555 1HB SER 77 2HB SER 77 7.252 12.089 -6.935 556 2HB SER 77 1HB SER 77 6.759 11.654 -8.568 557 HG SER 77 HG SER 77 7.150 14.254 -7.494 558 H LYS 78 H LYS 78 5.044 10.520 -8.970 559 HA LYS 78 HA LYS 78 3.016 8.975 -7.668 560 1HB LYS 78 2HB LYS 78 5.175 8.524 -9.716 561 2HB LYS 78 1HB LYS 78 4.256 7.144 -9.116 562 1HG LYS 78 2HG LYS 78 2.335 7.799 -10.163 563 2HG LYS 78 1HG LYS 78 2.648 9.513 -9.883 564 1HD LYS 78 2HD LYS 78 4.427 9.421 -11.646 565 2HD LYS 78 1HD LYS 78 3.948 7.758 -11.985 566 1HE LYS 78 2HE LYS 78 2.350 8.557 -13.377 567 2HE LYS 78 1HE LYS 78 1.564 9.320 -11.981 568 1HZ LYS 78 1HZ LYS 78 2.511 10.777 -13.924 569 2HZ LYS 78 2HZ LYS 78 3.976 10.564 -13.092 570 3HZ LYS 78 3HZ LYS 78 2.651 11.287 -12.314 571 H VAL 79 H VAL 79 3.683 8.932 -5.403 572 HA VAL 79 HA VAL 79 6.240 7.816 -4.611 573 HB VAL 79 HB VAL 79 5.283 8.095 -2.393 574 1HG1 VAL 79 1HG1 VAL 79 4.063 10.330 -3.993 575 2HG1 VAL 79 2HG1 VAL 79 5.814 10.117 -3.955 576 3HG1 VAL 79 3HG1 VAL 79 4.928 10.415 -2.459 577 1HG2 VAL 79 1HG2 VAL 79 3.048 8.007 -1.935 578 2HG2 VAL 79 2HG2 VAL 79 2.947 7.218 -3.508 579 3HG2 VAL 79 3HG2 VAL 79 2.624 8.945 -3.366 580 H LEU 80 H LEU 80 6.123 5.778 -3.051 581 HA LEU 80 HA LEU 80 4.130 3.803 -4.113 582 1HB LEU 80 2HB LEU 80 6.820 3.967 -4.777 583 2HB LEU 80 1HB LEU 80 6.790 2.731 -3.520 584 HG LEU 80 HG LEU 80 4.826 2.690 -5.810 585 1HD1 LEU 80 1HD1 LEU 80 6.297 1.465 -7.153 586 2HD1 LEU 80 2HD1 LEU 80 7.338 1.039 -5.795 587 3HD1 LEU 80 3HD1 LEU 80 7.372 2.674 -6.453 588 1HD2 LEU 80 1HD2 LEU 80 5.969 0.371 -4.255 589 2HD2 LEU 80 2HD2 LEU 80 4.444 0.461 -5.136 590 3HD2 LEU 80 3HD2 LEU 80 4.629 1.319 -3.606 591 H VAL 81 H VAL 81 3.141 2.670 -2.501 592 HA VAL 81 HA VAL 81 4.433 2.625 0.206 593 HB VAL 81 HB VAL 81 1.476 2.377 -0.244 594 1HG1 VAL 81 1HG1 VAL 81 3.369 3.162 1.903 595 2HG1 VAL 81 2HG1 VAL 81 1.840 2.293 2.013 596 3HG1 VAL 81 3HG1 VAL 81 1.846 4.049 1.849 597 1HG2 VAL 81 1HG2 VAL 81 3.085 4.942 -0.428 598 2HG2 VAL 81 2HG2 VAL 81 1.344 4.897 -0.156 599 3HG2 VAL 81 3HG2 VAL 81 2.018 4.268 -1.660 600 H GLU 82 H GLU 82 3.636 0.687 1.525 601 HA GLU 82 HA GLU 82 3.044 -1.682 -0.214 602 1HB GLU 82 2HB GLU 82 5.112 -1.363 1.985 603 2HB GLU 82 1HB GLU 82 4.720 -2.899 1.211 604 1HG GLU 82 2HG GLU 82 5.146 -1.228 -0.949 605 2HG GLU 82 1HG GLU 82 6.351 -0.672 0.214 606 H MET 83 H MET 83 1.752 -3.291 0.813 607 HA MET 83 HA MET 83 0.927 -2.831 3.637 608 1HB MET 83 2HB MET 83 -0.529 -2.071 1.283 609 2HB MET 83 1HB MET 83 -1.408 -3.365 2.096 610 1HG MET 83 2HG MET 83 -2.052 -1.974 3.746 611 2HG MET 83 1HG MET 83 -0.385 -1.472 4.033 612 1HE MET 83 1HE MET 83 -3.565 0.227 1.309 613 2HE MET 83 2HE MET 83 -3.828 0.155 3.049 614 3HE MET 83 3HE MET 83 -3.469 -1.322 2.159 615 H GLU 84 H GLU 84 0.325 -4.773 4.661 616 HA GLU 84 HA GLU 84 0.421 -7.224 2.988 617 1HB GLU 84 2HB GLU 84 1.084 -8.105 5.424 618 2HB GLU 84 1HB GLU 84 2.286 -7.411 4.342 619 1HG GLU 84 2HG GLU 84 2.299 -5.354 5.481 620 2HG GLU 84 1HG GLU 84 0.728 -5.652 6.228 621 HA PRO 85 HA PRO 85 -3.703 -6.922 5.127 622 1HB PRO 85 2HB PRO 85 -5.237 -7.188 2.878 623 2HB PRO 85 1HB PRO 85 -4.665 -5.617 3.475 624 1HG PRO 85 2HG PRO 85 -3.619 -7.291 1.253 625 2HG PRO 85 1HG PRO 85 -3.756 -5.531 1.373 626 1HD PRO 85 2HD PRO 85 -1.419 -6.913 1.734 627 2HD PRO 85 1HD PRO 85 -1.755 -5.323 2.451 628 HA PRO 86 HA PRO 86 -4.165 -11.295 5.021 629 1HB PRO 86 2HB PRO 86 -6.807 -11.576 5.672 630 2HB PRO 86 1HB PRO 86 -5.572 -11.080 6.845 631 1HG PRO 86 2HG PRO 86 -7.560 -9.424 5.378 632 2HG PRO 86 1HG PRO 86 -6.971 -9.275 7.040 633 1HD PRO 86 2HD PRO 86 -6.117 -7.699 4.973 634 2HD PRO 86 1HD PRO 86 -5.147 -8.049 6.420 635 H PHE 87 H PHE 87 -4.820 -12.952 3.578 636 HA PHE 87 HA PHE 87 -5.491 -12.327 0.917 637 1HB PHE 87 2HB PHE 87 -6.411 -14.901 2.156 638 2HB PHE 87 1HB PHE 87 -5.533 -14.640 0.653 639 HD1 PHE 87 1HD PHE 87 -5.089 -16.253 3.536 640 HD2 PHE 87 2HD PHE 87 -3.275 -12.996 1.404 641 HE1 PHE 87 1HE PHE 87 -2.954 -16.665 4.724 642 HE2 PHE 87 2HE PHE 87 -1.139 -13.407 2.590 643 HZ PHE 87 HZ PHE 87 -0.975 -15.244 4.251 644 H GLY 88 H GLY 88 -7.420 -11.903 -0.124 645 1HA GLY 88 2HA GLY 88 -9.886 -12.545 -0.203 646 2HA GLY 88 1HA GLY 88 -9.916 -12.125 1.510 647 H ASP 89 H ASP 89 -11.631 -10.822 -0.249 648 HA ASP 89 HA ASP 89 -10.646 -8.390 -1.375 649 1HB ASP 89 2HB ASP 89 -13.320 -9.251 -0.236 650 2HB ASP 89 1HB ASP 89 -13.090 -7.744 -1.124 651 H SER 90 H SER 90 -10.137 -6.435 -0.424 652 HA SER 90 HA SER 90 -10.814 -6.060 2.473 653 1HB SER 90 2HB SER 90 -8.244 -5.039 1.350 654 2HB SER 90 1HB SER 90 -8.593 -5.647 2.966 655 HG SER 90 HG SER 90 -7.593 -7.342 2.158 656 H TYR 91 H TYR 91 -11.335 -3.900 3.034 657 HA TYR 91 HA TYR 91 -11.745 -2.062 0.720 658 1HB TYR 91 2HB TYR 91 -12.969 -2.562 3.396 659 2HB TYR 91 1HB TYR 91 -13.038 -0.911 2.778 660 HD1 TYR 91 1HD TYR 91 -12.886 -3.718 0.437 661 HD2 TYR 91 2HD TYR 91 -15.507 -1.046 2.547 662 HE1 TYR 91 1HE TYR 91 -14.751 -4.359 -1.066 663 HE2 TYR 91 2HE TYR 91 -17.371 -1.688 1.043 664 HH TYR 91 HH TYR 91 -17.047 -3.039 -1.810 665 H ILE 92 H ILE 92 -10.045 -0.661 0.434 666 HA ILE 92 HA ILE 92 -8.614 0.337 2.870 667 HB ILE 92 HB ILE 92 -7.886 0.043 -0.056 668 1HG1 ILE 92 2HG1 ILE 92 -5.934 -1.179 1.323 669 2HG1 ILE 92 1HG1 ILE 92 -7.231 -1.335 2.510 670 1HG2 ILE 92 1HG2 ILE 92 -5.701 1.015 0.524 671 2HG2 ILE 92 2HG2 ILE 92 -6.260 1.311 2.170 672 3HG2 ILE 92 3HG2 ILE 92 -6.991 2.180 0.822 673 1HD1 ILE 92 1HD1 ILE 92 -6.916 -2.647 -0.118 674 2HD1 ILE 92 2HD1 ILE 92 -8.536 -2.030 0.208 675 3HD1 ILE 92 3HD1 ILE 92 -7.794 -3.187 1.313 676 H VAL 93 H VAL 93 -8.840 2.497 3.375 677 HA VAL 93 HA VAL 93 -9.997 4.303 1.274 678 HB VAL 93 HB VAL 93 -10.517 4.073 4.252 679 1HG1 VAL 93 1HG1 VAL 93 -10.459 6.430 3.723 680 2HG1 VAL 93 2HG1 VAL 93 -12.153 5.950 3.832 681 3HG1 VAL 93 3HG1 VAL 93 -11.399 6.173 2.254 682 1HG2 VAL 93 1HG2 VAL 93 -12.081 2.637 3.447 683 2HG2 VAL 93 2HG2 VAL 93 -11.860 3.194 1.789 684 3HG2 VAL 93 3HG2 VAL 93 -12.918 4.083 2.883 685 H VAL 94 H VAL 94 -8.503 5.849 0.747 686 HA VAL 94 HA VAL 94 -6.432 6.613 2.758 687 HB VAL 94 HB VAL 94 -6.662 7.226 -0.206 688 1HG1 VAL 94 1HG1 VAL 94 -4.630 8.223 -0.023 689 2HG1 VAL 94 2HG1 VAL 94 -4.025 6.985 1.078 690 3HG1 VAL 94 3HG1 VAL 94 -4.999 8.318 1.700 691 1HG2 VAL 94 1HG2 VAL 94 -6.407 4.960 -0.384 692 2HG2 VAL 94 2HG2 VAL 94 -5.826 4.795 1.272 693 3HG2 VAL 94 3HG2 VAL 94 -4.724 5.324 -0.001 694 H GLY 95 H GLY 95 -7.666 8.118 4.032 695 1HA GLY 95 2HA GLY 95 -8.002 10.750 2.769 696 2HA GLY 95 1HA GLY 95 -9.493 10.022 3.364 697 H MET 96 H MET 96 -8.764 12.369 4.518 698 HA MET 96 HA MET 96 -7.497 11.602 7.125 699 1HB MET 96 2HB MET 96 -6.964 13.995 7.285 700 2HB MET 96 1HB MET 96 -6.404 13.366 5.736 701 1HG MET 96 2HG MET 96 -8.212 14.348 4.555 702 2HG MET 96 1HG MET 96 -9.130 14.629 6.034 703 1HE MET 96 1HE MET 96 -6.511 15.573 3.631 704 2HE MET 96 2HE MET 96 -5.323 15.389 4.919 705 3HE MET 96 3HE MET 96 -5.662 16.989 4.267 706 H GLY 97 H GLY 97 -10.333 12.985 5.575 707 1HA GLY 97 2HA GLY 97 -12.143 12.369 7.627 708 2HA GLY 97 1HA GLY 97 -11.579 14.007 7.963 709 H ASP 98 H ASP 98 -11.514 15.374 5.765 710 HA ASP 98 HA ASP 98 -14.230 15.720 4.926 711 1HB ASP 98 2HB ASP 98 -12.467 17.461 4.967 712 2HB ASP 98 1HB ASP 98 -11.616 16.622 3.670 713 H LYS 99 H LYS 99 -12.294 15.758 2.139 714 HA LYS 99 HA LYS 99 -13.881 13.668 0.883 715 1HB LYS 99 2HB LYS 99 -13.170 15.808 -0.189 716 2HB LYS 99 1HB LYS 99 -11.494 15.265 -0.096 717 1HG LYS 99 2HG LYS 99 -12.416 14.799 -2.326 718 2HG LYS 99 1HG LYS 99 -12.072 13.289 -1.479 719 1HD LYS 99 2HD LYS 99 -14.225 12.668 -1.656 720 2HD LYS 99 1HD LYS 99 -14.734 14.134 -0.816 721 1HE LYS 99 2HE LYS 99 -13.920 14.480 -3.660 722 2HE LYS 99 1HE LYS 99 -15.450 13.628 -3.372 723 1HZ LYS 99 1HZ LYS 99 -14.646 16.312 -2.406 724 2HZ LYS 99 2HZ LYS 99 -15.937 15.451 -1.713 725 3HZ LYS 99 3HZ LYS 99 -15.995 15.903 -3.349 726 H GLN 100 H GLN 100 -13.290 11.529 0.757 727 HA GLN 100 HA GLN 100 -10.392 10.843 1.020 728 1HB GLN 100 2HB GLN 100 -11.286 8.892 2.463 729 2HB GLN 100 1HB GLN 100 -11.265 10.494 3.199 730 1HG GLN 100 2HG GLN 100 -13.418 9.489 3.662 731 2HG GLN 100 1HG GLN 100 -13.661 10.775 2.478 732 1HE2 GLN 100 1HE2 GLN 100 -14.732 10.182 0.589 733 2HE2 GLN 100 2HE2 GLN 100 -14.913 8.589 0.039 734 H ILE 101 H ILE 101 -9.806 8.908 -0.096 735 HA ILE 101 HA ILE 101 -11.783 8.048 -2.158 736 HB ILE 101 HB ILE 101 -9.777 7.366 -3.387 737 1HG1 ILE 101 2HG1 ILE 101 -8.268 8.194 -0.884 738 2HG1 ILE 101 1HG1 ILE 101 -8.518 6.528 -1.411 739 1HG2 ILE 101 1HG2 ILE 101 -8.820 9.527 -3.735 740 2HG2 ILE 101 2HG2 ILE 101 -9.176 10.029 -2.082 741 3HG2 ILE 101 3HG2 ILE 101 -10.488 9.820 -3.243 742 1HD1 ILE 101 1HD1 ILE 101 -6.313 7.893 -2.073 743 2HD1 ILE 101 2HD1 ILE 101 -7.354 8.434 -3.391 744 3HD1 ILE 101 3HD1 ILE 101 -7.036 6.714 -3.167 745 H ASN 102 H ASN 102 -12.186 5.799 -2.481 746 HA ASN 102 HA ASN 102 -11.084 3.958 -0.387 747 1HB ASN 102 2HB ASN 102 -13.399 3.012 -0.272 748 2HB ASN 102 1HB ASN 102 -13.333 4.703 0.223 749 1HD2 ASN 102 1HD2 ASN 102 -14.659 6.156 -0.912 750 2HD2 ASN 102 2HD2 ASN 102 -15.497 5.774 -2.338 751 H HIS 103 H HIS 103 -10.601 1.883 -1.142 752 HA HIS 103 HA HIS 103 -11.243 1.295 -4.014 753 1HB HIS 103 2HB HIS 103 -8.696 1.377 -2.474 754 2HB HIS 103 1HB HIS 103 -8.868 0.060 -3.634 755 HD1 HIS 103 1HD HIS 103 -10.768 2.992 -4.667 756 HD2 HIS 103 2HD HIS 103 -6.835 1.681 -5.111 757 HE1 HIS 103 1HE HIS 103 -9.764 4.362 -6.545 758 H HIS 104 H HIS 104 -11.069 -1.108 -4.467 759 HA HIS 104 HA HIS 104 -11.923 -2.698 -2.070 760 1HB HIS 104 2HB HIS 104 -13.364 -3.905 -3.645 761 2HB HIS 104 1HB HIS 104 -13.667 -2.173 -3.782 762 HD1 HIS 104 1HD HIS 104 -12.818 -5.081 -5.782 763 HD2 HIS 104 2HD HIS 104 -12.103 -0.983 -6.057 764 HE1 HIS 104 1HE HIS 104 -12.145 -4.632 -8.182 765 H TRP 105 H TRP 105 -9.649 -3.334 -1.735 766 HA TRP 105 HA TRP 105 -7.835 -4.423 -3.532 767 1HB TRP 105 2HB TRP 105 -7.128 -4.252 -1.313 768 2HB TRP 105 1HB TRP 105 -8.608 -4.976 -0.683 769 HD1 TRP 105 HD TRP 105 -8.884 -7.666 -1.049 770 HE1 TRP 105 1HE TRP 105 -7.087 -9.513 -1.125 771 HE3 TRP 105 3HE TRP 105 -4.736 -4.825 -1.943 772 HZ2 TRP 105 2HZ TRP 105 -4.264 -9.754 -1.514 773 HZ3 TRP 105 3HZ TRP 105 -2.509 -5.888 -2.164 774 HH2 TRP 105 HH TRP 105 -2.267 -8.347 -1.950 775 H HIS 106 H HIS 106 -8.040 -6.063 -5.003 776 HA HIS 106 HA HIS 106 -9.719 -8.430 -4.276 777 1HB HIS 106 2HB HIS 106 -10.300 -6.369 -6.160 778 2HB HIS 106 1HB HIS 106 -9.934 -7.831 -7.076 779 HD1 HIS 106 1HD HIS 106 -11.783 -9.501 -7.254 780 HD2 HIS 106 2HD HIS 106 -12.350 -6.915 -4.034 781 HE1 HIS 106 1HE HIS 106 -14.042 -10.076 -6.262 782 H LYS 107 H LYS 107 -8.285 -10.115 -4.325 783 HA LYS 107 HA LYS 107 -5.919 -10.024 -6.094 784 1HB LYS 107 2HB LYS 107 -5.838 -10.738 -3.708 785 2HB LYS 107 1HB LYS 107 -6.911 -12.083 -4.094 786 1HG LYS 107 2HG LYS 107 -5.287 -13.179 -5.382 787 2HG LYS 107 1HG LYS 107 -4.356 -11.703 -5.636 788 1HD LYS 107 2HD LYS 107 -3.218 -13.175 -4.024 789 2HD LYS 107 1HD LYS 107 -3.740 -11.683 -3.241 790 1HE LYS 107 2HE LYS 107 -5.913 -13.044 -2.670 791 2HE LYS 107 1HE LYS 107 -4.876 -14.455 -2.957 792 1HZ LYS 107 1HZ LYS 107 -4.851 -13.494 -0.623 793 2HZ LYS 107 2HZ LYS 107 -4.001 -12.178 -1.280 794 3HZ LYS 107 3HZ LYS 107 -3.342 -13.742 -1.358 795 H ALA 108 H ALA 108 -9.121 -11.130 -6.290 796 HA ALA 108 HA ALA 108 -8.684 -12.435 -8.840 797 1HB ALA 108 1HB ALA 108 -7.978 -13.969 -6.718 798 2HB ALA 108 2HB ALA 108 -8.629 -14.646 -8.211 799 3HB ALA 108 3HB ALA 108 -9.689 -14.379 -6.827 800 H GLY 109 H GLY 109 -10.605 -12.238 -9.940 801 1HA GLY 109 2HA GLY 109 -13.059 -11.690 -8.337 802 2HA GLY 109 1HA GLY 109 -12.818 -11.205 -10.016 803 H SER 110 H SER 110 -12.140 -14.398 -8.625 804 HA SER 110 HA SER 110 -14.459 -15.518 -10.141 805 1HB SER 110 2HB SER 110 -11.586 -15.749 -10.685 806 2HB SER 110 1HB SER 110 -12.382 -17.316 -10.555 807 HG SER 110 HG SER 110 -12.534 -15.442 -12.509 808 H THR 111 H THR 111 -15.571 -16.826 -8.751 809 HA THR 111 HA THR 111 -14.030 -18.424 -6.743 810 HB THR 111 HB THR 111 -16.654 -17.115 -6.073 811 HG1 THR 111 1HG THR 111 -15.473 -15.318 -5.351 812 1HG2 THR 111 1HG2 THR 111 -15.019 -17.006 -3.885 813 2HG2 THR 111 2HG2 THR 111 -14.422 -18.457 -4.689 814 3HG2 THR 111 3HG2 THR 111 -16.122 -18.337 -4.233 Start of MODEL 3 1 1H ASP 1 1HT ASP 1 17.108 -1.607 23.021 2 2H ASP 1 2HT ASP 1 16.163 -0.257 23.433 3 3H ASP 1 3HT ASP 1 15.623 -1.345 22.246 4 HA ASP 1 HA ASP 1 15.897 -3.036 24.280 5 1HB ASP 1 2HB ASP 1 16.698 -1.292 25.762 6 2HB ASP 1 1HB ASP 1 15.334 -0.252 25.349 7 H LYS 2 H LYS 2 13.936 -0.421 22.952 8 HA LYS 2 HA LYS 2 11.678 -2.253 22.561 9 1HB LYS 2 2HB LYS 2 11.780 -1.270 25.011 10 2HB LYS 2 1HB LYS 2 11.132 0.178 24.240 11 1HG LYS 2 2HG LYS 2 9.211 -1.043 24.909 12 2HG LYS 2 1HG LYS 2 9.375 -1.383 23.185 13 1HD LYS 2 2HD LYS 2 10.582 -3.485 23.734 14 2HD LYS 2 1HD LYS 2 10.339 -3.155 25.451 15 1HE LYS 2 2HE LYS 2 7.847 -3.108 25.012 16 2HE LYS 2 1HE LYS 2 8.193 -3.684 23.368 17 1HZ LYS 2 1HZ LYS 2 8.024 -5.668 24.472 18 2HZ LYS 2 2HZ LYS 2 8.612 -5.042 25.938 19 3HZ LYS 2 3HZ LYS 2 9.683 -5.373 24.662 20 H LEU 3 H LEU 3 9.955 -1.193 21.282 21 HA LEU 3 HA LEU 3 11.032 0.769 19.402 22 1HB LEU 3 2HB LEU 3 8.802 0.422 18.346 23 2HB LEU 3 1HB LEU 3 9.590 -1.108 18.732 24 HG LEU 3 HG LEU 3 8.191 -0.459 21.058 25 1HD1 LEU 3 1HD1 LEU 3 6.166 0.466 20.534 26 2HD1 LEU 3 2HD1 LEU 3 6.109 -0.309 18.951 27 3HD1 LEU 3 3HD1 LEU 3 7.067 1.154 19.182 28 1HD2 LEU 3 1HD2 LEU 3 8.508 -2.689 19.937 29 2HD2 LEU 3 2HD2 LEU 3 7.262 -2.231 18.775 30 3HD2 LEU 3 3HD2 LEU 3 6.854 -2.408 20.483 31 H ALA 4 H ALA 4 10.949 2.945 19.778 32 HA ALA 4 HA ALA 4 8.990 4.001 21.762 33 1HB ALA 4 1HB ALA 4 11.097 4.803 22.293 34 2HB ALA 4 2HB ALA 4 10.582 6.079 21.191 35 3HB ALA 4 3HB ALA 4 11.637 4.788 20.614 36 H LEU 5 H LEU 5 7.078 4.105 20.463 37 HA LEU 5 HA LEU 5 7.234 5.859 18.039 38 1HB LEU 5 2HB LEU 5 6.413 3.402 18.005 39 2HB LEU 5 1HB LEU 5 4.981 4.009 18.838 40 HG LEU 5 HG LEU 5 5.184 5.827 16.824 41 1HD1 LEU 5 1HD1 LEU 5 7.113 4.550 15.863 42 2HD1 LEU 5 2HD1 LEU 5 5.743 4.668 14.759 43 3HD1 LEU 5 3HD1 LEU 5 6.039 3.169 15.640 44 1HD2 LEU 5 1HD2 LEU 5 3.808 3.372 15.970 45 2HD2 LEU 5 2HD2 LEU 5 3.147 4.974 16.296 46 3HD2 LEU 5 3HD2 LEU 5 3.427 3.848 17.624 47 H LYS 6 H LYS 6 6.041 7.763 18.053 48 HA LYS 6 HA LYS 6 4.144 8.186 20.334 49 1HB LYS 6 2HB LYS 6 5.102 10.509 20.438 50 2HB LYS 6 1HB LYS 6 6.276 9.254 20.834 51 1HG LYS 6 2HG LYS 6 6.166 9.836 17.966 52 2HG LYS 6 1HG LYS 6 6.632 11.236 18.933 53 1HD LYS 6 2HD LYS 6 8.412 9.955 20.003 54 2HD LYS 6 1HD LYS 6 7.912 8.496 19.147 55 1HE LYS 6 2HE LYS 6 9.386 9.105 17.527 56 2HE LYS 6 1HE LYS 6 8.250 10.407 17.120 57 1HZ LYS 6 1HZ LYS 6 9.379 11.444 19.269 58 2HZ LYS 6 2HZ LYS 6 10.007 11.688 17.709 59 3HZ LYS 6 3HZ LYS 6 10.684 10.507 18.726 60 H GLY 7 H GLY 7 2.615 10.031 19.867 61 1HA GLY 7 2HA GLY 7 1.925 10.054 16.965 62 2HA GLY 7 1HA GLY 7 0.785 10.361 18.277 63 H THR 8 H THR 8 3.872 11.828 18.631 64 HA THR 8 HA THR 8 2.637 14.490 18.082 65 HB THR 8 HB THR 8 4.256 15.302 19.642 66 HG1 THR 8 1HG THR 8 5.524 12.781 19.365 67 1HG2 THR 8 1HG2 THR 8 2.436 13.877 20.609 68 2HG2 THR 8 2HG2 THR 8 3.901 13.904 21.592 69 3HG2 THR 8 3HG2 THR 8 3.548 12.508 20.572 70 H THR 9 H THR 9 2.987 14.854 15.868 71 HA THR 9 HA THR 9 5.795 15.260 15.037 72 HB THR 9 HB THR 9 5.538 12.954 14.481 73 HG1 THR 9 1HG THR 9 4.650 14.027 12.067 74 1HG2 THR 9 1HG2 THR 9 3.076 12.901 14.848 75 2HG2 THR 9 2HG2 THR 9 3.555 12.056 13.376 76 3HG2 THR 9 3HG2 THR 9 2.850 13.670 13.276 77 H TYR 10 H TYR 10 5.624 15.936 12.509 78 HA TYR 10 HA TYR 10 4.370 18.408 12.289 79 1HB TYR 10 2HB TYR 10 5.495 16.353 10.529 80 2HB TYR 10 1HB TYR 10 4.276 17.342 9.723 81 HD1 TYR 10 1HD TYR 10 4.459 19.920 10.033 82 HD2 TYR 10 2HD TYR 10 7.675 17.179 10.803 83 HE1 TYR 10 1HE TYR 10 6.090 21.780 9.845 84 HE2 TYR 10 2HE TYR 10 9.305 19.038 10.614 85 HH TYR 10 HH TYR 10 9.588 21.182 10.042 86 H GLY 11 H GLY 11 2.499 18.880 10.643 87 1HA GLY 11 2HA GLY 11 0.106 17.581 11.658 88 2HA GLY 11 1HA GLY 11 0.152 18.836 10.419 89 H MET 12 H MET 12 -0.790 15.756 10.848 90 HA MET 12 HA MET 12 0.273 14.490 8.439 91 1HB MET 12 2HB MET 12 -1.329 12.728 9.087 92 2HB MET 12 1HB MET 12 -0.439 13.294 10.501 93 1HG MET 12 2HG MET 12 -2.475 15.003 10.658 94 2HG MET 12 1HG MET 12 -3.303 13.729 9.765 95 1HE MET 12 1HE MET 12 -4.415 11.365 11.810 96 2HE MET 12 2HE MET 12 -4.654 12.674 10.656 97 3HE MET 12 3HE MET 12 -5.030 12.929 12.358 98 H CYS 13 H CYS 13 -0.392 15.227 6.442 99 HA CYS 13 HA CYS 13 -3.300 15.557 5.973 100 1HB CYS 13 2HB CYS 13 -3.092 17.812 5.246 101 2HB CYS 13 1HB CYS 13 -2.151 17.729 6.731 102 H THR 14 H THR 14 -3.503 14.034 4.353 103 HA THR 14 HA THR 14 -2.134 14.524 1.800 104 HB THR 14 HB THR 14 -1.705 11.754 2.644 105 HG1 THR 14 1HG THR 14 -1.417 12.654 4.662 106 1HG2 THR 14 1HG2 THR 14 -0.111 14.024 1.481 107 2HG2 THR 14 2HG2 THR 14 -0.519 12.469 0.754 108 3HG2 THR 14 3HG2 THR 14 0.699 12.554 2.027 109 H GLU 15 H GLU 15 -4.897 14.528 2.492 110 HA GLU 15 HA GLU 15 -6.113 11.954 1.860 111 1HB GLU 15 2HB GLU 15 -8.147 13.179 2.121 112 2HB GLU 15 1HB GLU 15 -7.014 13.910 3.260 113 1HG GLU 15 2HG GLU 15 -7.529 15.879 2.274 114 2HG GLU 15 1HG GLU 15 -6.546 15.320 0.919 115 H LYS 16 H LYS 16 -4.303 13.772 -0.116 116 HA LYS 16 HA LYS 16 -6.158 13.542 -2.458 117 1HB LYS 16 2HB LYS 16 -4.413 15.166 -3.437 118 2HB LYS 16 1HB LYS 16 -5.429 15.787 -2.134 119 1HG LYS 16 2HG LYS 16 -2.945 14.438 -1.256 120 2HG LYS 16 1HG LYS 16 -2.709 15.950 -2.135 121 1HD LYS 16 2HD LYS 16 -4.797 15.874 0.007 122 2HD LYS 16 1HD LYS 16 -3.103 15.954 0.493 123 1HE LYS 16 2HE LYS 16 -3.179 17.846 -1.499 124 2HE LYS 16 1HE LYS 16 -4.783 18.029 -0.761 125 1HZ LYS 16 1HZ LYS 16 -3.799 18.186 1.394 126 2HZ LYS 16 2HZ LYS 16 -3.009 19.308 0.391 127 3HZ LYS 16 3HZ LYS 16 -2.255 17.837 0.787 128 H PHE 17 H PHE 17 -5.266 11.109 -1.999 129 HA PHE 17 HA PHE 17 -2.635 10.670 -3.312 130 1HB PHE 17 2HB PHE 17 -4.267 9.418 -1.313 131 2HB PHE 17 1HB PHE 17 -4.022 8.264 -2.623 132 HD1 PHE 17 1HD PHE 17 -1.975 10.902 -0.894 133 HD2 PHE 17 2HD PHE 17 -2.185 6.869 -2.354 134 HE1 PHE 17 1HE PHE 17 0.342 10.497 -0.109 135 HE2 PHE 17 2HE PHE 17 0.132 6.464 -1.570 136 HZ PHE 17 HZ PHE 17 1.396 8.278 -0.448 137 H SER 18 H SER 18 -2.456 9.455 -5.268 138 HA SER 18 HA SER 18 -5.038 9.017 -6.743 139 1HB SER 18 2HB SER 18 -3.893 10.970 -7.599 140 2HB SER 18 1HB SER 18 -2.356 10.111 -7.642 141 HG SER 18 HG SER 18 -4.615 9.864 -9.297 142 H PHE 19 H PHE 19 -5.266 6.818 -6.966 143 HA PHE 19 HA PHE 19 -3.129 4.918 -6.726 144 1HB PHE 19 2HB PHE 19 -5.713 4.467 -8.219 145 2HB PHE 19 1HB PHE 19 -4.834 3.339 -7.189 146 HD1 PHE 19 1HD PHE 19 -7.446 5.792 -7.323 147 HD2 PHE 19 2HD PHE 19 -4.614 3.929 -4.684 148 HE1 PHE 19 1HE PHE 19 -8.789 6.518 -5.369 149 HE2 PHE 19 2HE PHE 19 -5.956 4.656 -2.730 150 HZ PHE 19 HZ PHE 19 -8.044 5.950 -3.072 151 H ALA 20 H ALA 20 -1.476 4.808 -8.203 152 HA ALA 20 HA ALA 20 -2.016 5.431 -11.059 153 1HB ALA 20 1HB ALA 20 0.149 6.132 -11.038 154 2HB ALA 20 2HB ALA 20 0.697 4.677 -10.204 155 3HB ALA 20 3HB ALA 20 0.015 6.017 -9.282 156 H LYS 21 H LYS 21 -1.032 2.759 -8.948 157 HA LYS 21 HA LYS 21 -1.424 0.892 -11.253 158 1HB LYS 21 2HB LYS 21 0.794 0.536 -9.242 159 2HB LYS 21 1HB LYS 21 0.671 -0.120 -10.875 160 1HG LYS 21 2HG LYS 21 0.640 2.484 -11.500 161 2HG LYS 21 1HG LYS 21 1.531 2.594 -9.983 162 1HD LYS 21 2HD LYS 21 3.370 2.033 -11.164 163 2HD LYS 21 1HD LYS 21 2.683 0.411 -11.280 164 1HE LYS 21 2HE LYS 21 1.306 1.675 -13.271 165 2HE LYS 21 1HE LYS 21 2.866 2.520 -13.349 166 1HZ LYS 21 1HZ LYS 21 2.811 0.407 -14.637 167 2HZ LYS 21 2HZ LYS 21 2.587 -0.433 -13.176 168 3HZ LYS 21 3HZ LYS 21 4.015 0.449 -13.444 169 H ASN 22 H ASN 22 -1.800 -1.370 -10.478 170 HA ASN 22 HA ASN 22 -3.581 -1.416 -8.169 171 1HB ASN 22 2HB ASN 22 -3.791 -3.805 -8.855 172 2HB ASN 22 1HB ASN 22 -3.977 -2.707 -10.222 173 1HD2 ASN 22 1HD2 ASN 22 -3.167 -5.395 -10.665 174 2HD2 ASN 22 2HD2 ASN 22 -1.551 -5.403 -11.186 175 HA PRO 23 HA PRO 23 -0.781 -2.790 -5.082 176 1HB PRO 23 2HB PRO 23 -2.254 -4.676 -3.751 177 2HB PRO 23 1HB PRO 23 -2.577 -2.935 -3.630 178 1HG PRO 23 2HG PRO 23 -3.956 -5.007 -5.268 179 2HG PRO 23 1HG PRO 23 -4.636 -3.639 -4.373 180 1HD PRO 23 2HD PRO 23 -4.267 -3.618 -7.066 181 2HD PRO 23 1HD PRO 23 -4.212 -2.150 -6.066 182 H ALA 24 H ALA 24 0.973 -4.130 -5.318 183 HA ALA 24 HA ALA 24 0.519 -6.850 -6.507 184 1HB ALA 24 1HB ALA 24 3.186 -5.648 -6.774 185 2HB ALA 24 2HB ALA 24 1.914 -4.685 -7.524 186 3HB ALA 24 3HB ALA 24 2.152 -6.364 -8.011 187 H ASP 25 H ASP 25 1.745 -8.567 -5.592 188 HA ASP 25 HA ASP 25 2.750 -8.051 -2.846 189 1HB ASP 25 2HB ASP 25 1.075 -9.840 -3.435 190 2HB ASP 25 1HB ASP 25 2.333 -10.638 -4.378 191 H THR 26 H THR 26 4.926 -7.782 -2.554 192 HA THR 26 HA THR 26 6.835 -8.352 -4.695 193 HB THR 26 HB THR 26 8.407 -7.571 -2.781 194 HG1 THR 26 1HG THR 26 6.051 -6.643 -1.603 195 1HG2 THR 26 1HG2 THR 26 6.730 -6.205 -4.566 196 2HG2 THR 26 2HG2 THR 26 8.133 -5.547 -3.724 197 3HG2 THR 26 3HG2 THR 26 6.524 -5.379 -3.021 198 H GLY 27 H GLY 27 6.393 -9.569 -1.346 199 1HA GLY 27 2HA GLY 27 7.734 -12.093 -2.228 200 2HA GLY 27 1HA GLY 27 8.115 -11.352 -0.673 201 H HIS 28 H HIS 28 6.889 -11.953 1.060 202 HA HIS 28 HA HIS 28 4.283 -13.340 0.509 203 1HB HIS 28 2HB HIS 28 6.601 -14.513 1.330 204 2HB HIS 28 1HB HIS 28 5.886 -14.098 2.888 205 HD1 HIS 28 1HD HIS 28 5.002 -15.948 -0.317 206 HD2 HIS 28 2HD HIS 28 3.815 -15.781 3.676 207 HE1 HIS 28 1HE HIS 28 3.323 -17.816 0.010 208 H GLY 29 H GLY 29 2.778 -11.853 1.253 209 1HA GLY 29 2HA GLY 29 1.534 -10.821 3.001 210 2HA GLY 29 1HA GLY 29 2.883 -11.117 4.099 211 H THR 30 H THR 30 3.283 -9.570 0.963 212 HA THR 30 HA THR 30 3.519 -6.903 2.273 213 HB THR 30 HB THR 30 5.779 -6.835 0.884 214 HG1 THR 30 1HG THR 30 5.262 -9.014 0.086 215 1HG2 THR 30 1HG2 THR 30 5.255 -6.904 3.477 216 2HG2 THR 30 2HG2 THR 30 6.900 -7.153 2.889 217 3HG2 THR 30 3HG2 THR 30 5.907 -8.538 3.344 218 H VAL 31 H VAL 31 2.033 -5.813 0.992 219 HA VAL 31 HA VAL 31 2.088 -6.253 -1.940 220 HB VAL 31 HB VAL 31 0.081 -4.801 -0.196 221 1HG1 VAL 31 1HG1 VAL 31 -0.405 -4.131 -2.366 222 2HG1 VAL 31 2HG1 VAL 31 -1.349 -5.619 -2.274 223 3HG1 VAL 31 3HG1 VAL 31 0.222 -5.619 -3.076 224 1HG2 VAL 31 1HG2 VAL 31 -0.115 -7.628 -1.268 225 2HG2 VAL 31 2HG2 VAL 31 -1.188 -6.836 -0.114 226 3HG2 VAL 31 3HG2 VAL 31 0.457 -7.262 0.360 227 H VAL 32 H VAL 32 2.340 -4.438 -3.356 228 HA VAL 32 HA VAL 32 3.279 -1.923 -2.019 229 HB VAL 32 HB VAL 32 4.511 -1.989 -4.468 230 1HG1 VAL 32 1HG1 VAL 32 5.486 -1.592 -2.178 231 2HG1 VAL 32 2HG1 VAL 32 6.514 -2.555 -3.239 232 3HG1 VAL 32 3HG1 VAL 32 5.571 -3.342 -1.975 233 1HG2 VAL 32 1HG2 VAL 32 3.548 -4.297 -4.825 234 2HG2 VAL 32 2HG2 VAL 32 4.503 -4.843 -3.446 235 3HG2 VAL 32 3HG2 VAL 32 5.310 -4.232 -4.890 236 H ILE 33 H ILE 33 2.250 -0.080 -2.683 237 HA ILE 33 HA ILE 33 0.626 -0.186 -5.207 238 HB ILE 33 HB ILE 33 -0.708 -0.413 -3.105 239 1HG1 ILE 33 2HG1 ILE 33 -2.282 1.426 -3.596 240 2HG1 ILE 33 1HG1 ILE 33 -1.032 2.247 -4.533 241 1HG2 ILE 33 1HG2 ILE 33 -0.767 1.378 -1.493 242 2HG2 ILE 33 2HG2 ILE 33 0.271 2.390 -2.499 243 3HG2 ILE 33 3HG2 ILE 33 0.927 0.945 -1.729 244 1HD1 ILE 33 1HD1 ILE 33 -2.621 0.930 -5.954 245 2HD1 ILE 33 2HD1 ILE 33 -2.066 -0.536 -5.146 246 3HD1 ILE 33 3HD1 ILE 33 -0.943 0.411 -6.123 247 H GLU 34 H GLU 34 1.009 1.544 -6.558 248 HA GLU 34 HA GLU 34 2.754 3.737 -5.507 249 1HB GLU 34 2HB GLU 34 3.208 2.048 -7.525 250 2HB GLU 34 1HB GLU 34 2.255 3.237 -8.413 251 1HG GLU 34 2HG GLU 34 3.778 4.999 -7.883 252 2HG GLU 34 1HG GLU 34 4.602 4.015 -6.673 253 H LEU 35 H LEU 35 1.507 5.488 -4.960 254 HA LEU 35 HA LEU 35 -0.640 6.320 -6.886 255 1HB LEU 35 2HB LEU 35 -0.663 6.930 -3.932 256 2HB LEU 35 1HB LEU 35 -2.027 6.843 -5.048 257 HG LEU 35 HG LEU 35 -1.295 4.330 -5.302 258 1HD1 LEU 35 1HD1 LEU 35 0.503 5.304 -3.296 259 2HD1 LEU 35 2HD1 LEU 35 0.386 3.675 -3.961 260 3HD1 LEU 35 3HD1 LEU 35 -0.577 4.124 -2.552 261 1HD2 LEU 35 1HD2 LEU 35 -3.379 5.393 -4.166 262 2HD2 LEU 35 2HD2 LEU 35 -2.526 5.090 -2.652 263 3HD2 LEU 35 3HD2 LEU 35 -2.944 3.745 -3.713 264 H SER 36 H SER 36 -0.615 8.559 -7.401 265 HA SER 36 HA SER 36 1.835 9.996 -6.671 266 1HB SER 36 2HB SER 36 -0.301 11.192 -8.362 267 2HB SER 36 1HB SER 36 1.439 11.140 -8.631 268 HG SER 36 HG SER 36 0.785 9.654 -10.020 269 H TYR 37 H TYR 37 1.853 11.490 -5.018 270 HA TYR 37 HA TYR 37 -0.762 12.280 -3.862 271 1HB TYR 37 2HB TYR 37 0.718 11.628 -2.183 272 2HB TYR 37 1HB TYR 37 2.124 12.260 -3.037 273 HD1 TYR 37 1HD TYR 37 -1.147 13.812 -2.049 274 HD2 TYR 37 2HD TYR 37 3.136 13.917 -1.729 275 HE1 TYR 37 1HE TYR 37 -1.294 15.910 -0.734 276 HE2 TYR 37 2HE TYR 37 2.987 16.015 -0.417 277 HH TYR 37 HH TYR 37 0.258 17.077 1.041 278 H SER 38 H SER 38 -1.593 13.943 -5.151 279 HA SER 38 HA SER 38 0.183 16.125 -6.027 280 1HB SER 38 2HB SER 38 -1.817 16.736 -7.373 281 2HB SER 38 1HB SER 38 -1.354 15.053 -7.616 282 HG SER 38 HG SER 38 -3.607 15.318 -7.230 283 H GLY 39 H GLY 39 0.297 16.662 -3.555 284 1HA GLY 39 2HA GLY 39 -2.025 18.412 -2.853 285 2HA GLY 39 1HA GLY 39 -1.046 17.575 -1.649 286 H SER 40 H SER 40 -1.557 20.564 -2.643 287 HA SER 40 HA SER 40 1.197 21.471 -3.131 288 1HB SER 40 2HB SER 40 -1.505 22.780 -2.763 289 2HB SER 40 1HB SER 40 -0.033 23.718 -2.996 290 HG SER 40 HG SER 40 -1.066 23.294 -4.978 291 H ASP 41 H ASP 41 0.394 20.132 -0.491 292 HA ASP 41 HA ASP 41 0.935 22.394 1.389 293 1HB ASP 41 2HB ASP 41 -0.340 19.678 1.532 294 2HB ASP 41 1HB ASP 41 0.307 20.398 3.008 295 H GLY 42 H GLY 42 2.616 20.073 -0.309 296 1HA GLY 42 2HA GLY 42 4.953 19.620 -0.091 297 2HA GLY 42 1HA GLY 42 4.896 20.248 1.557 298 HA PRO 43 HA PRO 43 5.047 15.679 1.891 299 1HB PRO 43 2HB PRO 43 6.814 15.655 3.983 300 2HB PRO 43 1HB PRO 43 7.326 15.718 2.284 301 1HG PRO 43 2HG PRO 43 7.147 17.905 4.289 302 2HG PRO 43 1HG PRO 43 8.354 17.629 3.025 303 1HD PRO 43 2HD PRO 43 6.329 19.453 2.815 304 2HD PRO 43 1HD PRO 43 7.098 18.666 1.419 305 H CYS 44 H CYS 44 3.664 14.580 3.263 306 HA CYS 44 HA CYS 44 3.026 15.672 5.951 307 1HB CYS 44 2HB CYS 44 1.553 16.266 3.611 308 2HB CYS 44 1HB CYS 44 0.604 15.066 4.485 309 H LYS 45 H LYS 45 1.709 14.081 7.199 310 HA LYS 45 HA LYS 45 2.439 11.318 6.600 311 1HB LYS 45 2HB LYS 45 0.425 12.303 8.632 312 2HB LYS 45 1HB LYS 45 1.485 10.899 8.746 313 1HG LYS 45 2HG LYS 45 2.267 13.820 8.898 314 2HG LYS 45 1HG LYS 45 2.454 12.587 10.145 315 1HD LYS 45 2HD LYS 45 4.121 11.421 8.848 316 2HD LYS 45 1HD LYS 45 3.828 12.457 7.450 317 1HE LYS 45 2HE LYS 45 4.424 14.386 9.206 318 2HE LYS 45 1HE LYS 45 5.327 13.060 9.967 319 1HZ LYS 45 1HZ LYS 45 5.987 12.581 7.497 320 2HZ LYS 45 2HZ LYS 45 6.836 13.739 8.405 321 3HZ LYS 45 3HZ LYS 45 5.650 14.232 7.293 322 H ILE 46 H ILE 46 1.178 9.864 5.449 323 HA ILE 46 HA ILE 46 -1.415 10.804 4.387 324 HB ILE 46 HB ILE 46 0.037 8.186 3.921 325 1HG1 ILE 46 2HG1 ILE 46 0.383 10.733 2.322 326 2HG1 ILE 46 1HG1 ILE 46 1.482 10.280 3.625 327 1HG2 ILE 46 1HG2 ILE 46 -2.350 8.565 3.090 328 2HG2 ILE 46 2HG2 ILE 46 -1.167 8.153 1.848 329 3HG2 ILE 46 3HG2 ILE 46 -1.690 9.826 2.049 330 1HD1 ILE 46 1HD1 ILE 46 1.637 9.444 0.960 331 2HD1 ILE 46 2HD1 ILE 46 0.995 8.047 1.825 332 3HD1 ILE 46 3HD1 ILE 46 2.527 8.765 2.323 333 HA PRO 47 HA PRO 47 -3.288 8.459 7.760 334 1HB PRO 47 2HB PRO 47 -5.741 9.648 7.527 335 2HB PRO 47 1HB PRO 47 -4.385 10.404 8.387 336 1HG PRO 47 2HG PRO 47 -5.432 10.943 5.658 337 2HG PRO 47 1HG PRO 47 -4.784 12.068 6.862 338 1HD PRO 47 2HD PRO 47 -3.378 11.163 4.689 339 2HD PRO 47 1HD PRO 47 -2.631 11.736 6.196 340 H ILE 48 H ILE 48 -3.436 6.396 6.752 341 HA ILE 48 HA ILE 48 -5.851 5.997 5.025 342 HB ILE 48 HB ILE 48 -3.053 4.887 4.624 343 1HG1 ILE 48 2HG1 ILE 48 -4.588 6.746 2.802 344 2HG1 ILE 48 1HG1 ILE 48 -3.535 7.361 4.076 345 1HG2 ILE 48 1HG2 ILE 48 -4.961 3.375 3.955 346 2HG2 ILE 48 2HG2 ILE 48 -3.925 3.865 2.615 347 3HG2 ILE 48 3HG2 ILE 48 -5.494 4.637 2.844 348 1HD1 ILE 48 1HD1 ILE 48 -1.610 6.550 3.065 349 2HD1 ILE 48 2HD1 ILE 48 -2.581 6.940 1.646 350 3HD1 ILE 48 3HD1 ILE 48 -2.473 5.273 2.209 351 H VAL 49 H VAL 49 -6.887 3.992 5.336 352 HA VAL 49 HA VAL 49 -5.801 2.281 7.552 353 HB VAL 49 HB VAL 49 -8.137 1.963 8.210 354 1HG1 VAL 49 1HG1 VAL 49 -8.752 4.464 8.535 355 2HG1 VAL 49 2HG1 VAL 49 -7.215 4.794 7.736 356 3HG1 VAL 49 3HG1 VAL 49 -7.246 3.885 9.246 357 1HG2 VAL 49 1HG2 VAL 49 -8.655 3.508 5.664 358 2HG2 VAL 49 2HG2 VAL 49 -9.865 3.395 6.942 359 3HG2 VAL 49 3HG2 VAL 49 -9.297 1.934 6.135 360 H SER 50 H SER 50 -6.480 -0.040 7.358 361 HA SER 50 HA SER 50 -7.125 -0.829 4.539 362 1HB SER 50 2HB SER 50 -5.240 -2.465 6.170 363 2HB SER 50 1HB SER 50 -5.233 -2.145 4.438 364 HG SER 50 HG SER 50 -4.642 0.060 5.047 365 H VAL 51 H VAL 51 -9.194 -1.638 4.893 366 HA VAL 51 HA VAL 51 -9.444 -3.783 6.978 367 HB VAL 51 HB VAL 51 -11.764 -2.950 7.279 368 1HG1 VAL 51 1HG1 VAL 51 -10.982 -1.520 8.838 369 2HG1 VAL 51 2HG1 VAL 51 -10.416 -0.395 7.604 370 3HG1 VAL 51 3HG1 VAL 51 -9.384 -1.729 8.119 371 1HG2 VAL 51 1HG2 VAL 51 -12.425 -0.833 6.198 372 2HG2 VAL 51 2HG2 VAL 51 -12.056 -2.060 4.986 373 3HG2 VAL 51 3HG2 VAL 51 -10.886 -0.788 5.335 374 H ALA 52 H ALA 52 -11.027 -5.457 6.401 375 HA ALA 52 HA ALA 52 -10.818 -6.471 3.773 376 1HB ALA 52 1HB ALA 52 -12.523 -8.027 4.521 377 2HB ALA 52 2HB ALA 52 -13.088 -6.886 5.741 378 3HB ALA 52 3HB ALA 52 -11.503 -7.642 5.907 379 H SER 53 H SER 53 -12.611 -6.707 2.162 380 HA SER 53 HA SER 53 -13.689 -4.220 1.315 381 1HB SER 53 2HB SER 53 -13.896 -5.577 -0.477 382 2HB SER 53 1HB SER 53 -13.624 -6.989 0.539 383 HG SER 53 HG SER 53 -15.797 -7.111 0.930 384 H LEU 54 H LEU 54 -15.292 -3.065 2.301 385 HA LEU 54 HA LEU 54 -17.488 -2.656 3.137 386 1HB LEU 54 2HB LEU 54 -17.794 -4.947 1.811 387 2HB LEU 54 1HB LEU 54 -17.953 -5.598 3.442 388 HG LEU 54 HG LEU 54 -19.754 -4.025 3.936 389 1HD1 LEU 54 1HD1 LEU 54 -20.623 -2.692 1.879 390 2HD1 LEU 54 2HD1 LEU 54 -19.006 -2.945 1.223 391 3HD1 LEU 54 3HD1 LEU 54 -19.216 -2.069 2.739 392 1HD2 LEU 54 1HD2 LEU 54 -21.193 -5.484 2.998 393 2HD2 LEU 54 2HD2 LEU 54 -19.866 -6.111 2.022 394 3HD2 LEU 54 3HD2 LEU 54 -20.881 -4.811 1.399 395 H ASN 55 H ASN 55 -15.007 -3.124 4.749 396 HA ASN 55 HA ASN 55 -16.337 -3.903 7.325 397 1HB ASN 55 2HB ASN 55 -13.643 -4.501 6.132 398 2HB ASN 55 1HB ASN 55 -13.838 -4.491 7.884 399 1HD2 ASN 55 1HD2 ASN 55 -14.940 -6.263 8.854 400 2HD2 ASN 55 2HD2 ASN 55 -15.569 -7.568 7.969 401 H ASP 56 H ASP 56 -16.841 -1.584 7.608 402 HA ASP 56 HA ASP 56 -14.475 0.192 8.004 403 1HB ASP 56 2HB ASP 56 -16.087 1.971 7.813 404 2HB ASP 56 1HB ASP 56 -16.497 0.791 6.568 405 H MET 57 H MET 57 -15.983 -2.004 9.819 406 HA MET 57 HA MET 57 -15.950 -0.295 12.289 407 1HB MET 57 2HB MET 57 -17.902 -2.151 11.127 408 2HB MET 57 1HB MET 57 -17.536 -2.515 12.813 409 1HG MET 57 2HG MET 57 -18.241 -0.394 13.555 410 2HG MET 57 1HG MET 57 -18.117 0.311 11.943 411 1HE MET 57 1HE MET 57 -19.641 0.694 10.535 412 2HE MET 57 2HE MET 57 -20.740 1.314 11.763 413 3HE MET 57 3HE MET 57 -21.349 0.233 10.513 414 H THR 58 H THR 58 -14.645 -2.994 10.647 415 HA THR 58 HA THR 58 -13.305 -3.900 13.173 416 HB THR 58 HB THR 58 -14.157 -5.639 10.840 417 HG1 THR 58 1HG THR 58 -15.441 -5.138 13.318 418 1HG2 THR 58 1HG2 THR 58 -13.549 -7.457 12.181 419 2HG2 THR 58 2HG2 THR 58 -13.647 -6.516 13.669 420 3HG2 THR 58 3HG2 THR 58 -12.295 -6.277 12.561 421 HA PRO 59 HA PRO 59 -9.840 -2.862 10.534 422 1HB PRO 59 2HB PRO 59 -7.921 -3.301 12.440 423 2HB PRO 59 1HB PRO 59 -8.898 -1.820 12.375 424 1HG PRO 59 2HG PRO 59 -9.206 -4.216 14.116 425 2HG PRO 59 1HG PRO 59 -9.423 -2.502 14.505 426 1HD PRO 59 2HD PRO 59 -11.497 -4.204 14.029 427 2HD PRO 59 1HD PRO 59 -11.570 -2.457 13.706 428 H VAL 60 H VAL 60 -8.631 -4.230 9.226 429 HA VAL 60 HA VAL 60 -7.915 -6.936 10.223 430 HB VAL 60 HB VAL 60 -9.555 -6.402 7.728 431 1HG1 VAL 60 1HG1 VAL 60 -8.901 -9.046 9.051 432 2HG1 VAL 60 2HG1 VAL 60 -7.944 -8.377 7.730 433 3HG1 VAL 60 3HG1 VAL 60 -9.640 -8.786 7.472 434 1HG2 VAL 60 1HG2 VAL 60 -11.264 -7.781 9.100 435 2HG2 VAL 60 2HG2 VAL 60 -11.034 -6.092 9.554 436 3HG2 VAL 60 3HG2 VAL 60 -10.269 -7.370 10.499 437 H GLY 61 H GLY 61 -7.786 -4.547 7.639 438 1HA GLY 61 2HA GLY 61 -5.569 -5.783 6.241 439 2HA GLY 61 1HA GLY 61 -6.144 -4.129 6.006 440 H ARG 62 H ARG 62 -3.335 -5.246 6.418 441 HA ARG 62 HA ARG 62 -2.639 -3.554 8.803 442 1HB ARG 62 2HB ARG 62 -1.332 -6.078 7.737 443 2HB ARG 62 1HB ARG 62 -0.802 -5.177 9.158 444 1HG ARG 62 2HG ARG 62 -3.641 -5.752 9.308 445 2HG ARG 62 1HG ARG 62 -2.713 -7.236 9.094 446 1HD ARG 62 2HD ARG 62 -2.770 -6.893 11.459 447 2HD ARG 62 1HD ARG 62 -1.169 -6.304 10.967 448 HE ARG 62 HE ARG 62 -2.440 -4.011 10.748 449 1HH1 ARG 62 1HH1 ARG 62 -1.863 -5.884 13.428 450 2HH1 ARG 62 2HH1 ARG 62 -3.019 -5.109 14.459 451 1HH2 ARG 62 1HH2 ARG 62 -4.464 -3.268 11.900 452 2HH2 ARG 62 2HH2 ARG 62 -4.491 -3.627 13.595 453 H LEU 63 H LEU 63 -0.562 -2.438 8.635 454 HA LEU 63 HA LEU 63 0.150 -1.795 5.808 455 1HB LEU 63 2HB LEU 63 0.557 -0.441 8.489 456 2HB LEU 63 1HB LEU 63 1.252 0.176 6.989 457 HG LEU 63 HG LEU 63 -1.575 -0.456 6.680 458 1HD1 LEU 63 1HD1 LEU 63 -1.104 0.392 9.207 459 2HD1 LEU 63 2HD1 LEU 63 -2.560 0.820 8.308 460 3HD1 LEU 63 3HD1 LEU 63 -1.207 1.949 8.385 461 1HD2 LEU 63 1HD2 LEU 63 0.022 2.116 6.431 462 2HD2 LEU 63 2HD2 LEU 63 -1.590 1.838 5.773 463 3HD2 LEU 63 3HD2 LEU 63 -0.213 0.934 5.143 464 H VAL 64 H VAL 64 2.073 -2.576 5.012 465 HA VAL 64 HA VAL 64 3.806 -4.275 6.537 466 HB VAL 64 HB VAL 64 3.956 -2.831 3.889 467 1HG1 VAL 64 1HG1 VAL 64 6.050 -4.510 5.267 468 2HG1 VAL 64 2HG1 VAL 64 6.250 -2.966 4.437 469 3HG1 VAL 64 3HG1 VAL 64 5.957 -4.436 3.507 470 1HG2 VAL 64 1HG2 VAL 64 3.634 -5.719 4.758 471 2HG2 VAL 64 2HG2 VAL 64 3.847 -5.219 3.080 472 3HG2 VAL 64 3HG2 VAL 64 2.420 -4.704 3.979 473 H THR 65 H THR 65 3.575 -0.858 6.393 474 HA THR 65 HA THR 65 6.163 -0.626 7.870 475 HB THR 65 HB THR 65 6.427 -0.114 5.424 476 HG1 THR 65 1HG THR 65 7.863 1.013 6.508 477 1HG2 THR 65 1HG2 THR 65 5.272 1.691 4.412 478 2HG2 THR 65 2HG2 THR 65 4.699 2.300 5.965 479 3HG2 THR 65 3HG2 THR 65 4.028 0.810 5.299 480 H VAL 66 H VAL 66 6.278 1.523 9.024 481 HA VAL 66 HA VAL 66 4.015 2.048 10.632 482 HB VAL 66 HB VAL 66 6.140 4.070 9.882 483 1HG1 VAL 66 1HG1 VAL 66 5.831 3.957 12.635 484 2HG1 VAL 66 2HG1 VAL 66 4.192 3.700 12.039 485 3HG1 VAL 66 3HG1 VAL 66 5.084 5.148 11.570 486 1HG2 VAL 66 1HG2 VAL 66 7.626 2.389 10.314 487 2HG2 VAL 66 2HG2 VAL 66 6.413 1.394 11.119 488 3HG2 VAL 66 3HG2 VAL 66 7.201 2.705 11.996 489 H ASN 67 H ASN 67 3.343 4.685 10.605 490 HA ASN 67 HA ASN 67 1.334 5.015 8.720 491 1HB ASN 67 2HB ASN 67 2.358 6.428 10.794 492 2HB ASN 67 1HB ASN 67 2.896 7.438 9.453 493 1HD2 ASN 67 1HD2 ASN 67 1.383 8.963 8.787 494 2HD2 ASN 67 2HD2 ASN 67 -0.296 8.835 9.007 495 HA PRO 68 HA PRO 68 3.618 5.515 4.951 496 1HB PRO 68 2HB PRO 68 1.489 6.168 3.365 497 2HB PRO 68 1HB PRO 68 1.818 4.509 3.905 498 1HG PRO 68 2HG PRO 68 -0.151 6.481 4.942 499 2HG PRO 68 1HG PRO 68 -0.301 4.728 4.750 500 1HD PRO 68 2HD PRO 68 0.193 5.965 7.141 501 2HD PRO 68 1HD PRO 68 0.675 4.295 6.770 502 H PHE 69 H PHE 69 4.530 7.553 6.076 503 HA PHE 69 HA PHE 69 3.221 10.084 5.264 504 1HB PHE 69 2HB PHE 69 5.172 10.967 6.670 505 2HB PHE 69 1HB PHE 69 4.001 9.970 7.525 506 HD1 PHE 69 1HD PHE 69 4.690 8.019 8.646 507 HD2 PHE 69 2HD PHE 69 7.273 9.809 5.718 508 HE1 PHE 69 1HE PHE 69 6.495 6.440 9.274 509 HE2 PHE 69 2HE PHE 69 9.078 8.228 6.344 510 HZ PHE 69 HZ PHE 69 8.690 6.543 8.121 511 H VAL 70 H VAL 70 4.048 11.363 3.617 512 HA VAL 70 HA VAL 70 6.331 10.260 2.057 513 HB VAL 70 HB VAL 70 4.601 12.620 1.322 514 1HG1 VAL 70 1HG1 VAL 70 5.980 10.391 -0.203 515 2HG1 VAL 70 2HG1 VAL 70 6.409 12.102 -0.200 516 3HG1 VAL 70 3HG1 VAL 70 4.905 11.573 -0.952 517 1HG2 VAL 70 1HG2 VAL 70 3.021 10.938 0.295 518 2HG2 VAL 70 2HG2 VAL 70 2.994 10.967 2.058 519 3HG2 VAL 70 3HG2 VAL 70 3.855 9.682 1.210 520 H ALA 71 H ALA 71 7.474 11.198 4.243 521 HA ALA 71 HA ALA 71 7.934 14.057 4.345 522 1HB ALA 71 1HB ALA 71 8.874 11.560 5.629 523 2HB ALA 71 2HB ALA 71 8.451 13.109 6.361 524 3HB ALA 71 3HB ALA 71 10.043 12.881 5.636 525 H THR 72 H THR 72 8.325 13.727 1.741 526 HA THR 72 HA THR 72 11.285 13.935 1.414 527 HB THR 72 HB THR 72 10.738 11.657 0.832 528 HG1 THR 72 1HG THR 72 11.966 13.064 -0.700 529 1HG2 THR 72 1HG2 THR 72 8.943 11.797 -1.299 530 2HG2 THR 72 2HG2 THR 72 8.282 12.913 -0.104 531 3HG2 THR 72 3HG2 THR 72 8.582 11.229 0.332 532 H SER 73 H SER 73 11.829 14.999 -0.707 533 HA SER 73 HA SER 73 9.968 17.214 -1.246 534 1HB SER 73 2HB SER 73 12.186 17.910 -1.190 535 2HB SER 73 1HB SER 73 12.779 16.413 -1.905 536 HG SER 73 HG SER 73 12.288 17.142 -3.870 537 H SER 74 H SER 74 9.803 14.155 -2.217 538 HA SER 74 HA SER 74 9.091 14.851 -5.050 539 1HB SER 74 2HB SER 74 10.354 12.432 -3.759 540 2HB SER 74 1HB SER 74 9.592 12.324 -5.344 541 HG SER 74 HG SER 74 11.994 12.980 -4.994 542 H ALA 75 H ALA 75 7.602 14.507 -2.243 543 HA ALA 75 HA ALA 75 5.780 12.326 -2.496 544 1HB ALA 75 1HB ALA 75 4.625 13.436 -0.743 545 2HB ALA 75 2HB ALA 75 5.144 15.025 -1.302 546 3HB ALA 75 3HB ALA 75 6.305 13.936 -0.542 547 H ASN 76 H ASN 76 6.077 15.146 -4.388 548 HA ASN 76 HA ASN 76 3.246 15.334 -5.098 549 1HB ASN 76 2HB ASN 76 5.713 16.640 -6.284 550 2HB ASN 76 1HB ASN 76 4.045 17.176 -6.491 551 1HD2 ASN 76 1HD2 ASN 76 6.792 17.864 -4.738 552 2HD2 ASN 76 2HD2 ASN 76 6.079 18.553 -3.361 553 H SER 77 H SER 77 5.075 12.876 -5.635 554 HA SER 77 HA SER 77 4.378 12.677 -8.532 555 1HB SER 77 2HB SER 77 6.947 12.503 -7.126 556 2HB SER 77 1HB SER 77 6.636 11.112 -8.161 557 HG SER 77 HG SER 77 6.381 12.483 -9.890 558 H LYS 78 H LYS 78 4.901 10.100 -9.022 559 HA LYS 78 HA LYS 78 2.853 8.636 -7.651 560 1HB LYS 78 2HB LYS 78 5.087 8.083 -9.578 561 2HB LYS 78 1HB LYS 78 4.257 6.714 -8.839 562 1HG LYS 78 2HG LYS 78 2.621 6.957 -10.365 563 2HG LYS 78 1HG LYS 78 2.226 8.507 -9.620 564 1HD LYS 78 2HD LYS 78 3.576 9.715 -11.133 565 2HD LYS 78 1HD LYS 78 4.464 8.273 -11.626 566 1HE LYS 78 2HE LYS 78 2.071 7.445 -12.416 567 2HE LYS 78 1HE LYS 78 1.733 9.188 -12.467 568 1HZ LYS 78 1HZ LYS 78 3.455 9.569 -13.947 569 2HZ LYS 78 2HZ LYS 78 2.818 8.099 -14.515 570 3HZ LYS 78 3HZ LYS 78 4.240 8.110 -13.586 571 H VAL 79 H VAL 79 3.391 8.811 -5.361 572 HA VAL 79 HA VAL 79 5.958 7.934 -4.343 573 HB VAL 79 HB VAL 79 4.711 8.155 -2.182 574 1HG1 VAL 79 1HG1 VAL 79 5.504 10.244 -2.643 575 2HG1 VAL 79 2HG1 VAL 79 3.802 10.606 -2.933 576 3HG1 VAL 79 3HG1 VAL 79 4.867 10.226 -4.287 577 1HG2 VAL 79 1HG2 VAL 79 2.527 7.407 -3.557 578 2HG2 VAL 79 2HG2 VAL 79 2.325 9.157 -3.651 579 3HG2 VAL 79 3HG2 VAL 79 2.423 8.365 -2.079 580 H LEU 80 H LEU 80 5.838 6.023 -2.592 581 HA LEU 80 HA LEU 80 4.106 3.823 -3.676 582 1HB LEU 80 2HB LEU 80 6.812 4.131 -4.099 583 2HB LEU 80 1HB LEU 80 6.773 3.058 -2.698 584 HG LEU 80 HG LEU 80 4.972 2.514 -5.043 585 1HD1 LEU 80 1HD1 LEU 80 7.510 2.841 -5.658 586 2HD1 LEU 80 2HD1 LEU 80 6.640 1.431 -6.264 587 3HD1 LEU 80 3HD1 LEU 80 7.703 1.276 -4.866 588 1HD2 LEU 80 1HD2 LEU 80 5.020 0.280 -4.195 589 2HD2 LEU 80 2HD2 LEU 80 4.867 1.317 -2.777 590 3HD2 LEU 80 3HD2 LEU 80 6.431 0.615 -3.191 591 H VAL 81 H VAL 81 3.095 2.636 -2.116 592 HA VAL 81 HA VAL 81 3.997 2.960 0.725 593 HB VAL 81 HB VAL 81 1.180 2.320 -0.112 594 1HG1 VAL 81 1HG1 VAL 81 1.301 2.319 2.194 595 2HG1 VAL 81 2HG1 VAL 81 0.970 4.030 1.923 596 3HG1 VAL 81 3HG1 VAL 81 2.621 3.490 2.230 597 1HG2 VAL 81 1HG2 VAL 81 0.908 4.928 0.011 598 2HG2 VAL 81 2HG2 VAL 81 1.457 4.193 -1.495 599 3HG2 VAL 81 3HG2 VAL 81 2.621 4.946 -0.404 600 H GLU 82 H GLU 82 2.925 1.005 2.047 601 HA GLU 82 HA GLU 82 2.991 -1.515 0.453 602 1HB GLU 82 2HB GLU 82 5.248 -0.663 1.538 603 2HB GLU 82 1HB GLU 82 4.538 -1.308 3.018 604 1HG GLU 82 2HG GLU 82 4.472 -3.502 2.183 605 2HG GLU 82 1HG GLU 82 4.579 -2.966 0.506 606 H MET 83 H MET 83 1.565 -3.051 1.269 607 HA MET 83 HA MET 83 0.524 -2.730 4.039 608 1HB MET 83 2HB MET 83 -0.761 -1.848 1.637 609 2HB MET 83 1HB MET 83 -1.680 -3.206 2.286 610 1HG MET 83 2HG MET 83 -1.880 -2.120 4.443 611 2HG MET 83 1HG MET 83 -0.798 -0.821 3.936 612 1HE MET 83 1HE MET 83 -0.978 0.634 2.426 613 2HE MET 83 2HE MET 83 -2.396 1.677 2.481 614 3HE MET 83 3HE MET 83 -2.119 0.652 1.075 615 H GLU 84 H GLU 84 -0.210 -4.707 4.903 616 HA GLU 84 HA GLU 84 0.102 -7.087 3.163 617 1HB GLU 84 2HB GLU 84 0.521 -8.075 5.591 618 2HB GLU 84 1HB GLU 84 1.815 -7.265 4.716 619 1HG GLU 84 2HG GLU 84 1.644 -5.326 6.003 620 2HG GLU 84 1HG GLU 84 -0.030 -5.653 6.454 621 HA PRO 85 HA PRO 85 -4.241 -6.910 4.807 622 1HB PRO 85 2HB PRO 85 -5.489 -7.144 2.383 623 2HB PRO 85 1HB PRO 85 -5.022 -5.580 3.079 624 1HG PRO 85 2HG PRO 85 -3.692 -7.179 0.957 625 2HG PRO 85 1HG PRO 85 -3.865 -5.424 1.109 626 1HD PRO 85 2HD PRO 85 -1.571 -6.802 1.711 627 2HD PRO 85 1HD PRO 85 -2.002 -5.228 2.413 628 HA PRO 86 HA PRO 86 -4.609 -11.284 4.554 629 1HB PRO 86 2HB PRO 86 -7.312 -11.634 4.801 630 2HB PRO 86 1HB PRO 86 -6.274 -11.138 6.154 631 1HG PRO 86 2HG PRO 86 -8.053 -9.489 4.429 632 2HG PRO 86 1HG PRO 86 -7.737 -9.369 6.168 633 1HD PRO 86 2HD PRO 86 -6.606 -7.719 4.308 634 2HD PRO 86 1HD PRO 86 -5.851 -8.108 5.870 635 H PHE 87 H PHE 87 -5.114 -12.963 3.037 636 HA PHE 87 HA PHE 87 -5.309 -12.321 0.307 637 1HB PHE 87 2HB PHE 87 -6.526 -14.851 1.368 638 2HB PHE 87 1HB PHE 87 -5.404 -14.632 0.028 639 HD1 PHE 87 1HD PHE 87 -3.203 -13.136 1.088 640 HD2 PHE 87 2HD PHE 87 -5.535 -16.194 2.998 641 HE1 PHE 87 1HE PHE 87 -1.308 -13.632 2.605 642 HE2 PHE 87 2HE PHE 87 -3.642 -16.692 4.514 643 HZ PHE 87 HZ PHE 87 -1.524 -15.414 4.320 644 H GLY 88 H GLY 88 -6.983 -11.387 -0.790 645 1HA GLY 88 2HA GLY 88 -9.422 -12.030 -1.434 646 2HA GLY 88 1HA GLY 88 -9.746 -11.749 0.278 647 H ASP 89 H ASP 89 -11.218 -10.176 -1.224 648 HA ASP 89 HA ASP 89 -9.910 -7.709 -2.069 649 1HB ASP 89 2HB ASP 89 -12.227 -7.020 -2.479 650 2HB ASP 89 1HB ASP 89 -12.005 -8.681 -3.029 651 H SER 90 H SER 90 -9.747 -5.787 -0.894 652 HA SER 90 HA SER 90 -10.935 -5.740 1.854 653 1HB SER 90 2HB SER 90 -8.812 -5.061 2.745 654 2HB SER 90 1HB SER 90 -8.480 -6.443 1.703 655 HG SER 90 HG SER 90 -8.222 -3.689 1.045 656 H TYR 91 H TYR 91 -11.443 -3.603 2.598 657 HA TYR 91 HA TYR 91 -11.697 -1.593 0.424 658 1HB TYR 91 2HB TYR 91 -13.138 -2.440 2.813 659 2HB TYR 91 1HB TYR 91 -12.924 -0.689 2.774 660 HD1 TYR 91 1HD TYR 91 -13.225 -3.039 -0.105 661 HD2 TYR 91 2HD TYR 91 -15.067 0.110 2.161 662 HE1 TYR 91 1HE TYR 91 -15.011 -2.855 -1.814 663 HE2 TYR 91 2HE TYR 91 -16.854 0.295 0.452 664 HH TYR 91 HH TYR 91 -16.753 -0.534 -2.408 665 H ILE 92 H ILE 92 -9.784 -0.414 0.301 666 HA ILE 92 HA ILE 92 -8.454 0.451 2.815 667 HB ILE 92 HB ILE 92 -7.298 -0.572 0.769 668 1HG1 ILE 92 2HG1 ILE 92 -6.119 0.731 2.550 669 2HG1 ILE 92 1HG1 ILE 92 -5.367 0.913 0.964 670 1HG2 ILE 92 1HG2 ILE 92 -7.270 2.115 -0.487 671 2HG2 ILE 92 2HG2 ILE 92 -8.783 1.219 -0.636 672 3HG2 ILE 92 3HG2 ILE 92 -7.280 0.519 -1.239 673 1HD1 ILE 92 1HD1 ILE 92 -6.810 2.911 2.610 674 2HD1 ILE 92 2HD1 ILE 92 -7.154 2.955 0.881 675 3HD1 ILE 92 3HD1 ILE 92 -5.496 3.138 1.455 676 H VAL 93 H VAL 93 -8.558 2.599 3.506 677 HA VAL 93 HA VAL 93 -9.977 4.527 1.690 678 HB VAL 93 HB VAL 93 -10.075 4.311 4.715 679 1HG1 VAL 93 1HG1 VAL 93 -10.630 6.529 4.191 680 2HG1 VAL 93 2HG1 VAL 93 -12.205 5.736 4.187 681 3HG1 VAL 93 3HG1 VAL 93 -11.387 6.080 2.663 682 1HG2 VAL 93 1HG2 VAL 93 -12.210 3.547 2.703 683 2HG2 VAL 93 2HG2 VAL 93 -12.230 3.270 4.444 684 3HG2 VAL 93 3HG2 VAL 93 -11.103 2.378 3.423 685 H VAL 94 H VAL 94 -8.569 6.116 1.081 686 HA VAL 94 HA VAL 94 -6.363 6.881 2.949 687 HB VAL 94 HB VAL 94 -6.803 7.297 -0.028 688 1HG1 VAL 94 1HG1 VAL 94 -5.299 8.973 0.301 689 2HG1 VAL 94 2HG1 VAL 94 -4.129 7.663 0.458 690 3HG1 VAL 94 3HG1 VAL 94 -4.847 8.380 1.899 691 1HG2 VAL 94 1HG2 VAL 94 -4.769 5.537 1.363 692 2HG2 VAL 94 2HG2 VAL 94 -5.201 5.548 -0.348 693 3HG2 VAL 94 3HG2 VAL 94 -6.345 4.937 0.848 694 H GLY 95 H GLY 95 -7.505 8.391 4.269 695 1HA GLY 95 2HA GLY 95 -7.983 10.997 2.992 696 2HA GLY 95 1HA GLY 95 -9.409 10.256 3.720 697 H MET 96 H MET 96 -8.612 12.640 4.768 698 HA MET 96 HA MET 96 -6.777 12.281 7.022 699 1HB MET 96 2HB MET 96 -8.494 14.412 5.816 700 2HB MET 96 1HB MET 96 -7.989 14.622 7.493 701 1HG MET 96 2HG MET 96 -5.618 14.187 6.746 702 2HG MET 96 1HG MET 96 -6.198 14.229 5.081 703 1HE MET 96 1HE MET 96 -6.192 15.691 3.813 704 2HE MET 96 2HE MET 96 -5.019 16.962 4.147 705 3HE MET 96 3HE MET 96 -6.722 17.374 3.956 706 H GLY 97 H GLY 97 -10.235 13.239 6.915 707 1HA GLY 97 2HA GLY 97 -10.883 11.298 9.025 708 2HA GLY 97 1HA GLY 97 -10.986 12.988 9.521 709 H ASP 98 H ASP 98 -12.298 14.394 7.904 710 HA ASP 98 HA ASP 98 -14.956 13.269 7.684 711 1HB ASP 98 2HB ASP 98 -14.681 15.601 8.133 712 2HB ASP 98 1HB ASP 98 -13.587 15.806 6.765 713 H LYS 99 H LYS 99 -13.202 14.847 5.012 714 HA LYS 99 HA LYS 99 -14.510 13.136 3.055 715 1HB LYS 99 2HB LYS 99 -13.550 15.677 3.110 716 2HB LYS 99 1HB LYS 99 -12.208 14.853 2.316 717 1HG LYS 99 2HG LYS 99 -13.458 15.198 0.435 718 2HG LYS 99 1HG LYS 99 -14.303 13.751 0.984 719 1HD LYS 99 2HD LYS 99 -15.896 15.211 2.242 720 2HD LYS 99 1HD LYS 99 -15.097 16.621 1.543 721 1HE LYS 99 2HE LYS 99 -15.571 15.189 -0.719 722 2HE LYS 99 1HE LYS 99 -16.960 14.696 0.269 723 1HZ LYS 99 1HZ LYS 99 -16.217 17.356 -0.691 724 2HZ LYS 99 2HZ LYS 99 -16.913 17.254 0.855 725 3HZ LYS 99 3HZ LYS 99 -17.756 16.669 -0.499 726 H GLN 100 H GLN 100 -13.737 11.122 2.561 727 HA GLN 100 HA GLN 100 -10.780 10.723 2.453 728 1HB GLN 100 2HB GLN 100 -11.729 8.348 3.493 729 2HB GLN 100 1HB GLN 100 -11.002 9.641 4.444 730 1HG GLN 100 2HG GLN 100 -13.155 9.000 5.422 731 2HG GLN 100 1HG GLN 100 -13.255 10.637 4.775 732 1HE2 GLN 100 1HE2 GLN 100 -13.261 7.740 2.718 733 2HE2 GLN 100 2HE2 GLN 100 -14.858 7.918 2.180 734 H ILE 101 H ILE 101 -10.147 9.131 0.910 735 HA ILE 101 HA ILE 101 -12.267 8.420 -1.060 736 HB ILE 101 HB ILE 101 -9.231 8.347 -1.147 737 1HG1 ILE 101 2HG1 ILE 101 -10.103 10.626 -0.970 738 2HG1 ILE 101 1HG1 ILE 101 -9.533 10.346 -2.616 739 1HG2 ILE 101 1HG2 ILE 101 -9.961 6.791 -2.769 740 2HG2 ILE 101 2HG2 ILE 101 -9.771 8.288 -3.681 741 3HG2 ILE 101 3HG2 ILE 101 -11.378 7.756 -3.184 742 1HD1 ILE 101 1HD1 ILE 101 -12.239 10.919 -1.662 743 2HD1 ILE 101 2HD1 ILE 101 -12.176 9.496 -2.702 744 3HD1 ILE 101 3HD1 ILE 101 -11.574 11.046 -3.290 745 H ASN 102 H ASN 102 -13.178 6.432 -0.628 746 HA ASN 102 HA ASN 102 -11.462 4.269 0.507 747 1HB ASN 102 2HB ASN 102 -13.689 3.224 0.945 748 2HB ASN 102 1HB ASN 102 -13.554 4.833 1.654 749 1HD2 ASN 102 1HD2 ASN 102 -16.124 3.815 1.100 750 2HD2 ASN 102 2HD2 ASN 102 -16.798 4.665 -0.206 751 H HIS 103 H HIS 103 -10.827 2.592 -0.797 752 HA HIS 103 HA HIS 103 -12.281 2.184 -3.389 753 1HB HIS 103 2HB HIS 103 -9.438 2.704 -2.724 754 2HB HIS 103 1HB HIS 103 -9.717 1.448 -3.931 755 HD1 HIS 103 1HD HIS 103 -12.229 4.167 -3.742 756 HD2 HIS 103 2HD HIS 103 -8.798 3.323 -5.955 757 HE1 HIS 103 1HE HIS 103 -12.238 5.758 -5.710 758 H HIS 104 H HIS 104 -11.729 -0.062 -4.303 759 HA HIS 104 HA HIS 104 -11.475 -2.053 -2.070 760 1HB HIS 104 2HB HIS 104 -13.159 -3.362 -3.274 761 2HB HIS 104 1HB HIS 104 -13.773 -1.728 -3.012 762 HD1 HIS 104 1HD HIS 104 -13.407 -0.038 -5.128 763 HD2 HIS 104 2HD HIS 104 -13.112 -4.116 -5.943 764 HE1 HIS 104 1HE HIS 104 -13.639 -0.287 -7.638 765 H TRP 105 H TRP 105 -9.739 -3.403 -2.374 766 HA TRP 105 HA TRP 105 -8.753 -3.817 -5.153 767 1HB TRP 105 2HB TRP 105 -7.399 -3.225 -2.543 768 2HB TRP 105 1HB TRP 105 -6.523 -4.134 -3.775 769 HD1 TRP 105 HD TRP 105 -7.891 -2.586 -6.275 770 HE1 TRP 105 1HE TRP 105 -7.062 -0.208 -6.827 771 HE3 TRP 105 3HE TRP 105 -5.786 -1.322 -1.796 772 HZ2 TRP 105 2HZ TRP 105 -5.687 1.945 -5.540 773 HZ3 TRP 105 3HZ TRP 105 -4.726 0.897 -1.488 774 HH2 TRP 105 HH TRP 105 -4.673 2.530 -3.353 775 H HIS 106 H HIS 106 -8.586 -5.950 -5.767 776 HA HIS 106 HA HIS 106 -8.866 -8.036 -3.626 777 1HB HIS 106 2HB HIS 106 -10.025 -9.330 -5.401 778 2HB HIS 106 1HB HIS 106 -10.809 -7.772 -5.129 779 HD1 HIS 106 1HD HIS 106 -9.112 -9.775 -7.716 780 HD2 HIS 106 2HD HIS 106 -10.129 -5.769 -7.168 781 HE1 HIS 106 1HE HIS 106 -8.882 -8.662 -9.979 782 H LYS 107 H LYS 107 -7.107 -9.383 -3.463 783 HA LYS 107 HA LYS 107 -4.992 -9.264 -5.525 784 1HB LYS 107 2HB LYS 107 -4.905 -9.282 -2.862 785 2HB LYS 107 1HB LYS 107 -4.919 -11.028 -3.106 786 1HG LYS 107 2HG LYS 107 -3.033 -9.335 -4.715 787 2HG LYS 107 1HG LYS 107 -2.623 -9.743 -3.048 788 1HD LYS 107 2HD LYS 107 -3.155 -12.179 -3.698 789 2HD LYS 107 1HD LYS 107 -3.089 -11.618 -5.369 790 1HE LYS 107 2HE LYS 107 -0.809 -11.312 -5.314 791 2HE LYS 107 1HE LYS 107 -0.817 -10.812 -3.612 792 1HZ LYS 107 1HZ LYS 107 -1.208 -13.048 -2.928 793 2HZ LYS 107 2HZ LYS 107 0.117 -13.074 -3.990 794 3HZ LYS 107 3HZ LYS 107 -1.415 -13.573 -4.527 795 H ALA 108 H ALA 108 -7.645 -11.272 -4.654 796 HA ALA 108 HA ALA 108 -7.319 -13.042 -6.884 797 1HB ALA 108 1HB ALA 108 -5.395 -13.848 -5.655 798 2HB ALA 108 2HB ALA 108 -6.658 -15.070 -5.520 799 3HB ALA 108 3HB ALA 108 -6.339 -13.980 -4.172 800 H GLY 109 H GLY 109 -9.233 -14.211 -7.163 801 1HA GLY 109 2HA GLY 109 -11.370 -13.723 -5.195 802 2HA GLY 109 1HA GLY 109 -11.574 -14.460 -6.786 803 H SER 110 H SER 110 -11.418 -15.103 -3.476 804 HA SER 110 HA SER 110 -10.838 -18.003 -3.980 805 1HB SER 110 2HB SER 110 -9.958 -18.049 -1.765 806 2HB SER 110 1HB SER 110 -9.376 -16.533 -2.447 807 HG SER 110 HG SER 110 -11.580 -15.806 -1.488 808 H THR 111 H THR 111 -13.442 -16.996 -4.525 809 HA THR 111 HA THR 111 -15.704 -17.415 -3.983 810 HB THR 111 HB THR 111 -14.438 -19.482 -2.161 811 HG1 THR 111 1HG THR 111 -15.168 -20.076 -4.773 812 1HG2 THR 111 1HG2 THR 111 -16.837 -19.341 -1.905 813 2HG2 THR 111 2HG2 THR 111 -16.478 -20.780 -2.860 814 3HG2 THR 111 3HG2 THR 111 -17.068 -19.319 -3.653 Start of MODEL 4 1 1H ASP 1 1HT ASP 1 3.367 -6.086 22.053 2 2H ASP 1 2HT ASP 1 3.422 -7.288 20.854 3 3H ASP 1 3HT ASP 1 2.541 -5.860 20.589 4 HA ASP 1 HA ASP 1 5.446 -5.726 21.111 5 1HB ASP 1 2HB ASP 1 5.714 -5.951 18.635 6 2HB ASP 1 1HB ASP 1 5.089 -7.423 19.377 7 H LYS 2 H LYS 2 6.234 -3.812 19.680 8 HA LYS 2 HA LYS 2 4.091 -1.747 19.352 9 1HB LYS 2 2HB LYS 2 5.399 -1.717 21.574 10 2HB LYS 2 1HB LYS 2 6.790 -1.219 20.610 11 1HG LYS 2 2HG LYS 2 6.038 0.899 20.683 12 2HG LYS 2 1HG LYS 2 4.615 0.392 19.774 13 1HD LYS 2 2HD LYS 2 4.637 -0.214 22.690 14 2HD LYS 2 1HD LYS 2 4.426 1.475 22.225 15 1HE LYS 2 2HE LYS 2 2.775 -0.771 21.025 16 2HE LYS 2 1HE LYS 2 2.253 0.171 22.436 17 1HZ LYS 2 1HZ LYS 2 2.986 2.155 20.924 18 2HZ LYS 2 2HZ LYS 2 1.440 1.470 20.753 19 3HZ LYS 2 3HZ LYS 2 2.680 1.056 19.670 20 H LEU 3 H LEU 3 4.683 -0.062 17.819 21 HA LEU 3 HA LEU 3 6.580 -1.002 15.752 22 1HB LEU 3 2HB LEU 3 4.112 0.336 15.849 23 2HB LEU 3 1HB LEU 3 5.264 1.553 15.297 24 HG LEU 3 HG LEU 3 4.288 0.261 13.407 25 1HD1 LEU 3 1HD1 LEU 3 6.250 0.522 12.322 26 2HD1 LEU 3 2HD1 LEU 3 7.011 -0.763 13.260 27 3HD1 LEU 3 3HD1 LEU 3 6.971 0.885 13.889 28 1HD2 LEU 3 1HD2 LEU 3 5.650 -2.167 13.531 29 2HD2 LEU 3 2HD2 LEU 3 3.924 -1.937 13.809 30 3HD2 LEU 3 3HD2 LEU 3 5.042 -1.945 15.172 31 H ALA 4 H ALA 4 8.386 0.249 15.062 32 HA ALA 4 HA ALA 4 9.600 1.943 17.127 33 1HB ALA 4 1HB ALA 4 10.765 0.217 15.695 34 2HB ALA 4 2HB ALA 4 11.528 1.806 15.659 35 3HB ALA 4 3HB ALA 4 10.517 1.283 14.311 36 H LEU 5 H LEU 5 8.272 3.853 17.151 37 HA LEU 5 HA LEU 5 8.258 5.450 14.616 38 1HB LEU 5 2HB LEU 5 6.136 4.685 15.940 39 2HB LEU 5 1HB LEU 5 6.581 5.969 17.066 40 HG LEU 5 HG LEU 5 6.828 7.168 14.565 41 1HD1 LEU 5 1HD1 LEU 5 4.215 5.640 14.639 42 2HD1 LEU 5 2HD1 LEU 5 5.605 5.114 13.690 43 3HD1 LEU 5 3HD1 LEU 5 4.830 6.659 13.338 44 1HD2 LEU 5 1HD2 LEU 5 5.418 7.503 16.984 45 2HD2 LEU 5 2HD2 LEU 5 4.199 7.584 15.712 46 3HD2 LEU 5 3HD2 LEU 5 5.580 8.681 15.681 47 H LYS 6 H LYS 6 8.879 7.684 14.759 48 HA LYS 6 HA LYS 6 10.382 8.402 17.257 49 1HB LYS 6 2HB LYS 6 11.435 7.842 14.818 50 2HB LYS 6 1HB LYS 6 11.148 9.572 14.634 51 1HG LYS 6 2HG LYS 6 12.882 10.076 15.981 52 2HG LYS 6 1HG LYS 6 12.293 8.986 17.236 53 1HD LYS 6 2HD LYS 6 13.260 7.337 15.151 54 2HD LYS 6 1HD LYS 6 14.473 8.596 15.389 55 1HE LYS 6 2HE LYS 6 14.121 8.073 17.948 56 2HE LYS 6 1HE LYS 6 13.498 6.526 17.339 57 1HZ LYS 6 1HZ LYS 6 16.122 7.760 16.690 58 2HZ LYS 6 2HZ LYS 6 15.506 6.365 15.941 59 3HZ LYS 6 3HZ LYS 6 15.868 6.352 17.601 60 H GLY 7 H GLY 7 10.851 10.988 16.985 61 1HA GLY 7 2HA GLY 7 8.149 12.193 16.837 62 2HA GLY 7 1HA GLY 7 9.577 12.949 17.546 63 H THR 8 H THR 8 9.208 11.468 14.327 64 HA THR 8 HA THR 8 10.686 13.409 12.915 65 HB THR 8 HB THR 8 8.399 12.273 11.464 66 HG1 THR 8 1HG THR 8 8.657 10.226 12.043 67 1HG2 THR 8 1HG2 THR 8 10.589 13.038 10.498 68 2HG2 THR 8 2HG2 THR 8 10.162 11.383 10.064 69 3HG2 THR 8 3HG2 THR 8 11.367 11.683 11.317 70 H THR 9 H THR 9 9.801 15.045 11.344 71 HA THR 9 HA THR 9 8.321 17.102 12.488 72 HB THR 9 HB THR 9 7.750 17.532 9.950 73 HG1 THR 9 1HG THR 9 8.188 15.868 8.775 74 1HG2 THR 9 1HG2 THR 9 9.999 17.960 11.574 75 2HG2 THR 9 2HG2 THR 9 9.614 18.788 10.065 76 3HG2 THR 9 3HG2 THR 9 10.641 17.354 10.047 77 H TYR 10 H TYR 10 6.071 17.761 12.261 78 HA TYR 10 HA TYR 10 4.203 15.441 11.924 79 1HB TYR 10 2HB TYR 10 4.655 17.216 14.019 80 2HB TYR 10 1HB TYR 10 3.205 17.857 13.246 81 HD1 TYR 10 1HD TYR 10 1.367 16.081 12.616 82 HD2 TYR 10 2HD TYR 10 4.449 15.453 15.540 83 HE1 TYR 10 1HE TYR 10 0.013 14.282 13.657 84 HE2 TYR 10 2HE TYR 10 3.096 13.654 16.582 85 HH TYR 10 HH TYR 10 0.285 13.215 16.544 86 H GLY 11 H GLY 11 3.493 15.587 9.792 87 1HA GLY 11 2HA GLY 11 2.756 18.260 8.724 88 2HA GLY 11 1HA GLY 11 2.929 16.789 7.767 89 H MET 12 H MET 12 0.619 18.626 7.873 90 HA MET 12 HA MET 12 -1.453 16.869 9.121 91 1HB MET 12 2HB MET 12 -1.092 19.768 8.539 92 2HB MET 12 1HB MET 12 -2.736 19.142 8.435 93 1HG MET 12 2HG MET 12 -2.005 17.982 10.744 94 2HG MET 12 1HG MET 12 -0.952 19.395 10.805 95 1HE MET 12 1HE MET 12 -3.654 22.199 9.981 96 2HE MET 12 2HE MET 12 -2.976 21.107 8.777 97 3HE MET 12 3HE MET 12 -1.930 21.803 10.013 98 H CYS 13 H CYS 13 -1.705 15.319 7.416 99 HA CYS 13 HA CYS 13 -2.561 16.426 4.763 100 1HB CYS 13 2HB CYS 13 -0.605 14.590 5.439 101 2HB CYS 13 1HB CYS 13 -1.964 13.557 4.992 102 H THR 14 H THR 14 -4.033 14.500 3.702 103 HA THR 14 HA THR 14 -5.922 13.344 5.643 104 HB THR 14 HB THR 14 -7.810 14.660 4.539 105 HG1 THR 14 1HG THR 14 -7.102 16.593 3.525 106 1HG2 THR 14 1HG2 THR 14 -6.794 15.182 6.788 107 2HG2 THR 14 2HG2 THR 14 -7.494 16.576 5.967 108 3HG2 THR 14 3HG2 THR 14 -5.746 16.344 5.976 109 H GLU 15 H GLU 15 -6.431 14.395 2.302 110 HA GLU 15 HA GLU 15 -6.633 11.513 1.485 111 1HB GLU 15 2HB GLU 15 -8.788 12.477 1.407 112 2HB GLU 15 1HB GLU 15 -8.166 14.022 0.824 113 1HG GLU 15 2HG GLU 15 -7.852 13.218 -1.360 114 2HG GLU 15 1HG GLU 15 -7.837 11.533 -0.838 115 H LYS 16 H LYS 16 -4.553 13.995 1.285 116 HA LYS 16 HA LYS 16 -4.051 14.537 -1.438 117 1HB LYS 16 2HB LYS 16 -2.798 14.804 1.137 118 2HB LYS 16 1HB LYS 16 -1.585 14.304 -0.042 119 1HG LYS 16 2HG LYS 16 -1.615 16.316 -1.065 120 2HG LYS 16 1HG LYS 16 -3.378 16.337 -1.121 121 1HD LYS 16 2HD LYS 16 -3.133 16.800 1.475 122 2HD LYS 16 1HD LYS 16 -1.538 17.382 1.000 123 1HE LYS 16 2HE LYS 16 -2.750 18.783 -0.789 124 2HE LYS 16 1HE LYS 16 -4.239 18.413 0.105 125 1HZ LYS 16 1HZ LYS 16 -3.581 20.195 1.314 126 2HZ LYS 16 2HZ LYS 16 -1.939 20.014 0.914 127 3HZ LYS 16 3HZ LYS 16 -2.637 19.033 2.113 128 H PHE 17 H PHE 17 -4.509 12.400 -2.485 129 HA PHE 17 HA PHE 17 -2.018 10.900 -2.911 130 1HB PHE 17 2HB PHE 17 -3.947 10.078 -0.968 131 2HB PHE 17 1HB PHE 17 -4.018 8.939 -2.315 132 HD1 PHE 17 1HD PHE 17 -2.712 8.985 0.714 133 HD2 PHE 17 2HD PHE 17 -1.260 8.965 -3.325 134 HE1 PHE 17 1HE PHE 17 -0.599 7.937 1.481 135 HE2 PHE 17 2HE PHE 17 0.853 7.919 -2.560 136 HZ PHE 17 HZ PHE 17 1.184 7.404 -0.156 137 H SER 18 H SER 18 -2.042 9.914 -4.946 138 HA SER 18 HA SER 18 -4.651 9.949 -6.433 139 1HB SER 18 2HB SER 18 -1.898 10.952 -7.121 140 2HB SER 18 1HB SER 18 -2.996 10.462 -8.408 141 HG SER 18 HG SER 18 -3.467 12.559 -8.082 142 H PHE 19 H PHE 19 -4.998 7.678 -6.281 143 HA PHE 19 HA PHE 19 -3.053 5.644 -6.525 144 1HB PHE 19 2HB PHE 19 -5.136 4.346 -7.341 145 2HB PHE 19 1HB PHE 19 -5.221 5.092 -5.752 146 HD1 PHE 19 1HD PHE 19 -6.186 5.492 -9.321 147 HD2 PHE 19 2HD PHE 19 -6.782 6.847 -5.288 148 HE1 PHE 19 1HE PHE 19 -8.159 6.802 -10.053 149 HE2 PHE 19 2HE PHE 19 -8.755 8.158 -6.022 150 HZ PHE 19 HZ PHE 19 -9.445 8.135 -8.404 151 H ALA 20 H ALA 20 -1.729 5.248 -8.238 152 HA ALA 20 HA ALA 20 -2.641 6.043 -10.974 153 1HB ALA 20 1HB ALA 20 -0.344 6.354 -11.442 154 2HB ALA 20 2HB ALA 20 0.156 5.286 -10.130 155 3HB ALA 20 3HB ALA 20 -0.490 6.887 -9.768 156 H LYS 21 H LYS 21 -1.767 3.326 -8.968 157 HA LYS 21 HA LYS 21 -2.321 1.503 -11.262 158 1HB LYS 21 2HB LYS 21 0.046 1.139 -9.413 159 2HB LYS 21 1HB LYS 21 -0.261 0.338 -10.955 160 1HG LYS 21 2HG LYS 21 -0.216 2.752 -11.943 161 2HG LYS 21 1HG LYS 21 0.615 3.171 -10.446 162 1HD LYS 21 2HD LYS 21 2.118 1.099 -11.008 163 2HD LYS 21 1HD LYS 21 1.505 1.327 -12.646 164 1HE LYS 21 2HE LYS 21 2.484 3.769 -11.235 165 2HE LYS 21 1HE LYS 21 3.705 2.607 -11.792 166 1HZ LYS 21 1HZ LYS 21 1.474 3.626 -13.469 167 2HZ LYS 21 2HZ LYS 21 2.750 2.623 -13.972 168 3HZ LYS 21 3HZ LYS 21 3.057 4.233 -13.523 169 H ASN 22 H ASN 22 -3.148 -0.540 -10.583 170 HA ASN 22 HA ASN 22 -4.560 -0.591 -8.074 171 1HB ASN 22 2HB ASN 22 -3.845 -2.852 -9.968 172 2HB ASN 22 1HB ASN 22 -5.202 -2.816 -8.842 173 1HD2 ASN 22 1HD2 ASN 22 -4.023 -1.588 -11.934 174 2HD2 ASN 22 2HD2 ASN 22 -5.482 -0.862 -12.409 175 HA PRO 23 HA PRO 23 -1.553 -2.330 -5.392 176 1HB PRO 23 2HB PRO 23 -3.117 -3.903 -3.788 177 2HB PRO 23 1HB PRO 23 -3.111 -2.131 -3.694 178 1HG PRO 23 2HG PRO 23 -5.068 -3.951 -5.000 179 2HG PRO 23 1HG PRO 23 -5.344 -2.445 -4.111 180 1HD PRO 23 2HD PRO 23 -5.369 -2.626 -6.838 181 2HD PRO 23 1HD PRO 23 -4.970 -1.140 -5.949 182 H ALA 24 H ALA 24 -0.147 -4.055 -5.581 183 HA ALA 24 HA ALA 24 -1.231 -6.645 -6.639 184 1HB ALA 24 1HB ALA 24 0.923 -4.816 -7.591 185 2HB ALA 24 2HB ALA 24 -0.162 -5.849 -8.521 186 3HB ALA 24 3HB ALA 24 1.241 -6.547 -7.713 187 H ASP 25 H ASP 25 0.009 -8.525 -5.968 188 HA ASP 25 HA ASP 25 1.221 -8.229 -3.306 189 1HB ASP 25 2HB ASP 25 -0.249 -10.072 -3.640 190 2HB ASP 25 1HB ASP 25 0.515 -10.503 -5.171 191 H THR 26 H THR 26 3.411 -8.743 -2.811 192 HA THR 26 HA THR 26 5.242 -9.190 -5.139 193 HB THR 26 HB THR 26 6.598 -7.494 -3.397 194 HG1 THR 26 1HG THR 26 4.927 -6.795 -2.254 195 1HG2 THR 26 1HG2 THR 26 6.940 -6.775 -5.510 196 2HG2 THR 26 2HG2 THR 26 5.476 -5.816 -5.294 197 3HG2 THR 26 3HG2 THR 26 5.385 -7.403 -6.056 198 H GLY 27 H GLY 27 4.163 -10.790 -2.713 199 1HA GLY 27 2HA GLY 27 6.346 -12.444 -2.216 200 2HA GLY 27 1HA GLY 27 6.443 -11.197 -0.971 201 H HIS 28 H HIS 28 5.717 -12.189 0.870 202 HA HIS 28 HA HIS 28 3.250 -13.869 0.704 203 1HB HIS 28 2HB HIS 28 5.766 -14.095 1.973 204 2HB HIS 28 1HB HIS 28 4.598 -13.816 3.265 205 HD1 HIS 28 1HD HIS 28 3.462 -15.877 4.071 206 HD2 HIS 28 2HD HIS 28 4.700 -16.269 0.110 207 HE1 HIS 28 1HE HIS 28 2.851 -18.230 3.359 208 H GLY 29 H GLY 29 1.676 -12.158 0.724 209 1HA GLY 29 2HA GLY 29 0.116 -10.874 1.961 210 2HA GLY 29 1HA GLY 29 1.135 -11.073 3.389 211 H THR 30 H THR 30 2.382 -9.880 0.324 212 HA THR 30 HA THR 30 2.697 -7.179 1.597 213 HB THR 30 HB THR 30 4.820 -7.185 0.116 214 HG1 THR 30 1HG THR 30 4.532 -8.897 -1.174 215 1HG2 THR 30 1HG2 THR 30 4.273 -8.628 2.638 216 2HG2 THR 30 2HG2 THR 30 5.468 -7.377 2.291 217 3HG2 THR 30 3HG2 THR 30 5.788 -9.052 1.843 218 H VAL 31 H VAL 31 1.184 -5.928 0.512 219 HA VAL 31 HA VAL 31 0.839 -6.293 -2.405 220 HB VAL 31 HB VAL 31 -0.694 -4.578 -0.434 221 1HG1 VAL 31 1HG1 VAL 31 -1.899 -5.792 -2.875 222 2HG1 VAL 31 2HG1 VAL 31 -0.784 -4.448 -3.117 223 3HG1 VAL 31 3HG1 VAL 31 -2.221 -4.231 -2.119 224 1HG2 VAL 31 1HG2 VAL 31 -0.636 -7.019 0.184 225 2HG2 VAL 31 2HG2 VAL 31 -1.342 -7.384 -1.390 226 3HG2 VAL 31 3HG2 VAL 31 -2.249 -6.429 -0.217 227 H VAL 32 H VAL 32 1.273 -4.572 -3.857 228 HA VAL 32 HA VAL 32 2.651 -2.193 -2.658 229 HB VAL 32 HB VAL 32 3.674 -2.440 -5.175 230 1HG1 VAL 32 1HG1 VAL 32 5.501 -3.859 -3.923 231 2HG1 VAL 32 2HG1 VAL 32 4.505 -3.530 -2.505 232 3HG1 VAL 32 3HG1 VAL 32 5.197 -2.195 -3.426 233 1HG2 VAL 32 1HG2 VAL 32 3.348 -5.283 -4.190 234 2HG2 VAL 32 2HG2 VAL 32 4.033 -4.745 -5.724 235 3HG2 VAL 32 3HG2 VAL 32 2.304 -4.574 -5.424 236 H ILE 33 H ILE 33 2.229 -0.179 -3.667 237 HA ILE 33 HA ILE 33 0.314 -0.092 -5.940 238 HB ILE 33 HB ILE 33 -1.028 -0.192 -3.868 239 1HG1 ILE 33 2HG1 ILE 33 -1.137 2.698 -4.649 240 2HG1 ILE 33 1HG1 ILE 33 -1.436 1.484 -5.893 241 1HG2 ILE 33 1HG2 ILE 33 0.812 0.767 -2.421 242 2HG2 ILE 33 2HG2 ILE 33 -0.783 1.458 -2.124 243 3HG2 ILE 33 3HG2 ILE 33 0.405 2.356 -3.069 244 1HD1 ILE 33 1HD1 ILE 33 -3.447 2.385 -4.463 245 2HD1 ILE 33 2HD1 ILE 33 -2.836 1.266 -3.244 246 3HD1 ILE 33 3HD1 ILE 33 -3.342 0.662 -4.822 247 H GLU 34 H GLU 34 0.297 2.052 -6.949 248 HA GLU 34 HA GLU 34 2.590 3.788 -6.088 249 1HB GLU 34 2HB GLU 34 2.965 2.336 -8.114 250 2HB GLU 34 1HB GLU 34 1.642 3.194 -8.907 251 1HG GLU 34 2HG GLU 34 2.856 5.132 -9.146 252 2HG GLU 34 1HG GLU 34 3.783 4.857 -7.670 253 H LEU 35 H LEU 35 1.469 5.509 -5.170 254 HA LEU 35 HA LEU 35 -0.621 6.827 -6.879 255 1HB LEU 35 2HB LEU 35 -0.461 7.157 -3.897 256 2HB LEU 35 1HB LEU 35 -1.878 7.209 -4.945 257 HG LEU 35 HG LEU 35 -1.281 4.685 -5.394 258 1HD1 LEU 35 1HD1 LEU 35 0.592 5.459 -3.331 259 2HD1 LEU 35 2HD1 LEU 35 0.472 3.929 -4.201 260 3HD1 LEU 35 3HD1 LEU 35 -0.477 4.189 -2.737 261 1HD2 LEU 35 1HD2 LEU 35 -2.530 4.164 -3.141 262 2HD2 LEU 35 2HD2 LEU 35 -3.356 5.097 -4.389 263 3HD2 LEU 35 3HD2 LEU 35 -2.632 5.919 -3.005 264 H SER 36 H SER 36 -0.298 9.055 -7.216 265 HA SER 36 HA SER 36 2.295 10.137 -6.352 266 1HB SER 36 2HB SER 36 1.095 12.016 -7.942 267 2HB SER 36 1HB SER 36 2.067 10.683 -8.556 268 HG SER 36 HG SER 36 -0.357 11.117 -9.182 269 H TYR 37 H TYR 37 2.465 11.703 -4.760 270 HA TYR 37 HA TYR 37 -0.072 12.593 -3.503 271 1HB TYR 37 2HB TYR 37 1.450 11.806 -1.904 272 2HB TYR 37 1HB TYR 37 2.842 12.463 -2.766 273 HD1 TYR 37 1HD TYR 37 -0.150 13.408 -0.755 274 HD2 TYR 37 2HD TYR 37 3.658 14.647 -2.308 275 HE1 TYR 37 1HE TYR 37 -0.253 15.461 0.633 276 HE2 TYR 37 2HE TYR 37 3.557 16.699 -0.919 277 HH TYR 37 HH TYR 37 1.720 18.111 0.139 278 H SER 38 H SER 38 -0.860 14.350 -4.688 279 HA SER 38 HA SER 38 1.010 16.452 -5.571 280 1HB SER 38 2HB SER 38 -0.998 15.272 -6.848 281 2HB SER 38 1HB SER 38 -1.952 16.494 -6.011 282 HG SER 38 HG SER 38 -0.783 16.881 -8.211 283 H GLY 39 H GLY 39 1.252 16.880 -3.087 284 1HA GLY 39 2HA GLY 39 -0.974 18.652 -2.170 285 2HA GLY 39 1HA GLY 39 0.118 17.794 -1.082 286 H SER 40 H SER 40 -0.511 20.798 -1.954 287 HA SER 40 HA SER 40 2.122 21.797 -2.730 288 1HB SER 40 2HB SER 40 0.750 23.966 -1.915 289 2HB SER 40 1HB SER 40 0.436 23.186 -3.462 290 HG SER 40 HG SER 40 -1.427 23.571 -2.032 291 H ASP 41 H ASP 41 1.176 20.447 0.095 292 HA ASP 41 HA ASP 41 2.447 22.459 1.885 293 1HB ASP 41 2HB ASP 41 0.313 20.602 2.041 294 2HB ASP 41 1HB ASP 41 1.558 20.014 3.144 295 H GLY 42 H GLY 42 3.416 19.898 -0.018 296 1HA GLY 42 2HA GLY 42 5.554 18.879 -0.103 297 2HA GLY 42 1HA GLY 42 5.939 19.637 1.443 298 HA PRO 43 HA PRO 43 5.419 15.365 2.694 299 1HB PRO 43 2HB PRO 43 6.702 15.670 5.093 300 2HB PRO 43 1HB PRO 43 7.564 15.447 3.558 301 1HG PRO 43 2HG PRO 43 7.068 17.934 5.108 302 2HG PRO 43 1HG PRO 43 8.496 17.444 4.184 303 1HD PRO 43 2HD PRO 43 6.627 19.229 3.277 304 2HD PRO 43 1HD PRO 43 7.650 18.236 2.215 305 H CYS 44 H CYS 44 3.609 14.615 3.741 306 HA CYS 44 HA CYS 44 2.561 16.084 6.103 307 1HB CYS 44 2HB CYS 44 0.348 16.258 5.042 308 2HB CYS 44 1HB CYS 44 1.561 17.067 4.049 309 H LYS 45 H LYS 45 0.884 14.772 7.242 310 HA LYS 45 HA LYS 45 1.522 11.895 7.093 311 1HB LYS 45 2HB LYS 45 -0.390 13.396 8.907 312 2HB LYS 45 1HB LYS 45 0.373 11.835 9.218 313 1HG LYS 45 2HG LYS 45 1.941 14.393 8.805 314 2HG LYS 45 1HG LYS 45 1.463 13.798 10.396 315 1HD LYS 45 2HD LYS 45 3.037 12.162 10.386 316 2HD LYS 45 1HD LYS 45 2.734 11.758 8.695 317 1HE LYS 45 2HE LYS 45 3.957 13.953 8.118 318 2HE LYS 45 1HE LYS 45 4.520 13.936 9.800 319 1HZ LYS 45 1HZ LYS 45 5.362 12.309 7.621 320 2HZ LYS 45 2HZ LYS 45 4.791 11.349 8.902 321 3HZ LYS 45 3HZ LYS 45 6.046 12.465 9.165 322 H ILE 46 H ILE 46 0.402 10.811 5.488 323 HA ILE 46 HA ILE 46 -2.320 11.623 4.730 324 HB ILE 46 HB ILE 46 -0.853 9.137 3.854 325 1HG1 ILE 46 2HG1 ILE 46 -0.322 12.006 3.015 326 2HG1 ILE 46 1HG1 ILE 46 0.830 10.883 3.737 327 1HG2 ILE 46 1HG2 ILE 46 -2.736 9.116 2.586 328 2HG2 ILE 46 2HG2 ILE 46 -1.964 10.412 1.673 329 3HG2 ILE 46 3HG2 ILE 46 -3.107 10.799 2.958 330 1HD1 ILE 46 1HD1 ILE 46 -0.543 10.439 1.072 331 2HD1 ILE 46 2HD1 ILE 46 0.724 9.439 1.781 332 3HD1 ILE 46 3HD1 ILE 46 1.089 11.082 1.256 333 HA PRO 47 HA PRO 47 -3.952 8.866 7.855 334 1HB PRO 47 2HB PRO 47 -6.567 9.566 7.446 335 2HB PRO 47 1HB PRO 47 -5.438 10.562 8.387 336 1HG PRO 47 2HG PRO 47 -6.345 10.884 5.569 337 2HG PRO 47 1HG PRO 47 -6.064 12.114 6.808 338 1HD PRO 47 2HD PRO 47 -4.302 11.578 4.807 339 2HD PRO 47 1HD PRO 47 -3.811 12.196 6.400 340 H ILE 48 H ILE 48 -3.728 6.783 6.987 341 HA ILE 48 HA ILE 48 -5.736 5.986 4.905 342 HB ILE 48 HB ILE 48 -2.791 5.459 5.234 343 1HG1 ILE 48 2HG1 ILE 48 -3.784 5.602 2.541 344 2HG1 ILE 48 1HG1 ILE 48 -4.471 6.933 3.472 345 1HG2 ILE 48 1HG2 ILE 48 -4.743 3.721 3.691 346 2HG2 ILE 48 2HG2 ILE 48 -3.832 3.229 5.117 347 3HG2 ILE 48 3HG2 ILE 48 -2.986 3.596 3.613 348 1HD1 ILE 48 1HD1 ILE 48 -2.323 7.747 4.092 349 2HD1 ILE 48 2HD1 ILE 48 -2.193 7.367 2.375 350 3HD1 ILE 48 3HD1 ILE 48 -1.528 6.260 3.575 351 H VAL 49 H VAL 49 -6.616 3.860 5.163 352 HA VAL 49 HA VAL 49 -5.960 2.483 7.743 353 HB VAL 49 HB VAL 49 -7.970 3.830 8.028 354 1HG1 VAL 49 1HG1 VAL 49 -9.927 2.909 6.392 355 2HG1 VAL 49 2HG1 VAL 49 -8.537 2.765 5.317 356 3HG1 VAL 49 3HG1 VAL 49 -8.949 4.329 6.021 357 1HG2 VAL 49 1HG2 VAL 49 -8.446 0.867 7.641 358 2HG2 VAL 49 2HG2 VAL 49 -9.676 1.937 8.315 359 3HG2 VAL 49 3HG2 VAL 49 -8.137 1.729 9.149 360 H SER 50 H SER 50 -5.933 0.231 7.583 361 HA SER 50 HA SER 50 -6.531 -0.921 4.880 362 1HB SER 50 2HB SER 50 -4.663 -2.028 6.984 363 2HB SER 50 1HB SER 50 -4.681 -2.378 5.258 364 HG SER 50 HG SER 50 -4.384 0.153 5.313 365 H VAL 51 H VAL 51 -8.587 -1.796 5.140 366 HA VAL 51 HA VAL 51 -8.940 -3.733 7.401 367 HB VAL 51 HB VAL 51 -11.298 -2.907 7.495 368 1HG1 VAL 51 1HG1 VAL 51 -10.156 -0.343 7.913 369 2HG1 VAL 51 2HG1 VAL 51 -8.903 -1.523 8.293 370 3HG1 VAL 51 3HG1 VAL 51 -10.460 -1.593 9.118 371 1HG2 VAL 51 1HG2 VAL 51 -11.357 -2.099 5.129 372 2HG2 VAL 51 2HG2 VAL 51 -10.277 -0.782 5.583 373 3HG2 VAL 51 3HG2 VAL 51 -11.896 -0.875 6.277 374 H ALA 52 H ALA 52 -10.614 -5.395 6.902 375 HA ALA 52 HA ALA 52 -10.235 -6.701 4.427 376 1HB ALA 52 1HB ALA 52 -12.826 -6.966 5.898 377 2HB ALA 52 2HB ALA 52 -11.342 -7.314 6.786 378 3HB ALA 52 3HB ALA 52 -11.731 -8.225 5.326 379 H SER 53 H SER 53 -11.913 -7.060 2.713 380 HA SER 53 HA SER 53 -12.806 -4.618 1.539 381 1HB SER 53 2HB SER 53 -12.363 -6.492 0.152 382 2HB SER 53 1HB SER 53 -13.373 -7.554 1.128 383 HG SER 53 HG SER 53 -14.440 -6.922 -0.780 384 H LEU 54 H LEU 54 -14.483 -3.369 2.245 385 HA LEU 54 HA LEU 54 -16.732 -2.853 2.821 386 1HB LEU 54 2HB LEU 54 -16.801 -5.424 1.737 387 2HB LEU 54 1HB LEU 54 -17.622 -5.592 3.291 388 HG LEU 54 HG LEU 54 -18.343 -3.180 1.734 389 1HD1 LEU 54 1HD1 LEU 54 -18.585 -4.366 -0.201 390 2HD1 LEU 54 2HD1 LEU 54 -20.047 -4.966 0.581 391 3HD1 LEU 54 3HD1 LEU 54 -18.565 -5.919 0.633 392 1HD2 LEU 54 1HD2 LEU 54 -19.334 -4.123 3.942 393 2HD2 LEU 54 2HD2 LEU 54 -20.154 -5.290 2.905 394 3HD2 LEU 54 3HD2 LEU 54 -20.461 -3.565 2.706 395 H ASN 55 H ASN 55 -14.497 -3.324 4.743 396 HA ASN 55 HA ASN 55 -16.188 -3.767 7.174 397 1HB ASN 55 2HB ASN 55 -13.398 -4.821 6.593 398 2HB ASN 55 1HB ASN 55 -14.243 -5.001 8.131 399 1HD2 ASN 55 1HD2 ASN 55 -15.734 -6.722 8.315 400 2HD2 ASN 55 2HD2 ASN 55 -16.180 -7.730 7.024 401 H ASP 56 H ASP 56 -16.213 -1.382 7.273 402 HA ASP 56 HA ASP 56 -13.573 -0.112 7.864 403 1HB ASP 56 2HB ASP 56 -16.062 0.621 6.547 404 2HB ASP 56 1HB ASP 56 -15.624 1.805 7.778 405 H MET 57 H MET 57 -15.494 -1.804 9.688 406 HA MET 57 HA MET 57 -15.973 0.232 11.817 407 1HB MET 57 2HB MET 57 -17.452 -1.881 10.766 408 2HB MET 57 1HB MET 57 -16.843 -2.520 12.293 409 1HG MET 57 2HG MET 57 -17.794 -0.690 13.531 410 2HG MET 57 1HG MET 57 -18.195 0.178 12.049 411 1HE MET 57 1HE MET 57 -20.250 0.690 12.395 412 2HE MET 57 2HE MET 57 -21.698 -0.314 12.385 413 3HE MET 57 3HE MET 57 -20.754 -0.127 10.909 414 H THR 58 H THR 58 -14.041 -2.545 11.000 415 HA THR 58 HA THR 58 -12.602 -2.264 13.609 416 HB THR 58 HB THR 58 -12.592 -4.989 12.712 417 HG1 THR 58 1HG THR 58 -15.177 -3.878 13.046 418 1HG2 THR 58 1HG2 THR 58 -14.211 -3.914 15.009 419 2HG2 THR 58 2HG2 THR 58 -12.448 -3.873 15.058 420 3HG2 THR 58 3HG2 THR 58 -13.292 -5.415 14.911 421 HA PRO 59 HA PRO 59 -9.149 -2.121 10.852 422 1HB PRO 59 2HB PRO 59 -7.176 -2.415 12.725 423 2HB PRO 59 1HB PRO 59 -8.077 -0.902 12.502 424 1HG PRO 59 2HG PRO 59 -8.428 -3.027 14.557 425 2HG PRO 59 1HG PRO 59 -8.541 -1.268 14.722 426 1HD PRO 59 2HD PRO 59 -10.714 -2.906 14.553 427 2HD PRO 59 1HD PRO 59 -10.718 -1.211 14.016 428 H VAL 60 H VAL 60 -8.191 -3.752 9.662 429 HA VAL 60 HA VAL 60 -7.527 -6.323 11.009 430 HB VAL 60 HB VAL 60 -9.177 -6.080 8.480 431 1HG1 VAL 60 1HG1 VAL 60 -8.617 -8.253 8.261 432 2HG1 VAL 60 2HG1 VAL 60 -9.535 -8.568 9.733 433 3HG1 VAL 60 3HG1 VAL 60 -7.802 -8.256 9.825 434 1HG2 VAL 60 1HG2 VAL 60 -10.058 -6.775 11.301 435 2HG2 VAL 60 2HG2 VAL 60 -11.088 -6.753 9.870 436 3HG2 VAL 60 3HG2 VAL 60 -10.397 -5.250 10.483 437 H GLY 61 H GLY 61 -7.334 -4.291 8.139 438 1HA GLY 61 2HA GLY 61 -5.209 -5.852 6.901 439 2HA GLY 61 1HA GLY 61 -5.754 -4.255 6.384 440 H ARG 62 H ARG 62 -2.981 -4.992 6.603 441 HA ARG 62 HA ARG 62 -2.164 -3.162 8.839 442 1HB ARG 62 2HB ARG 62 -0.823 -5.692 7.828 443 2HB ARG 62 1HB ARG 62 -0.216 -4.666 9.129 444 1HG ARG 62 2HG ARG 62 -2.804 -5.117 9.936 445 2HG ARG 62 1HG ARG 62 -2.392 -6.651 9.168 446 1HD ARG 62 2HD ARG 62 -0.313 -6.754 10.553 447 2HD ARG 62 1HD ARG 62 -0.833 -5.275 11.385 448 HE ARG 62 HE ARG 62 -2.353 -7.851 11.433 449 1HH1 ARG 62 1HH1 ARG 62 -3.104 -4.715 11.992 450 2HH1 ARG 62 2HH1 ARG 62 -3.404 -4.864 13.691 451 1HH2 ARG 62 1HH2 ARG 62 -2.085 -8.063 13.916 452 2HH2 ARG 62 2HH2 ARG 62 -2.825 -6.758 14.780 453 H LEU 63 H LEU 63 -0.204 -1.934 8.391 454 HA LEU 63 HA LEU 63 0.159 -1.385 5.494 455 1HB LEU 63 2HB LEU 63 0.903 -0.019 8.091 456 2HB LEU 63 1HB LEU 63 1.470 0.570 6.527 457 HG LEU 63 HG LEU 63 -1.458 0.064 7.083 458 1HD1 LEU 63 1HD1 LEU 63 -0.926 1.712 8.698 459 2HD1 LEU 63 2HD1 LEU 63 -1.491 2.640 7.308 460 3HD1 LEU 63 3HD1 LEU 63 0.237 2.502 7.634 461 1HD2 LEU 63 1HD2 LEU 63 -0.753 2.194 5.244 462 2HD2 LEU 63 2HD2 LEU 63 -1.720 0.749 4.949 463 3HD2 LEU 63 3HD2 LEU 63 0.034 0.687 4.775 464 H VAL 64 H VAL 64 1.897 -2.258 4.434 465 HA VAL 64 HA VAL 64 3.915 -3.822 5.794 466 HB VAL 64 HB VAL 64 3.565 -2.728 2.990 467 1HG1 VAL 64 1HG1 VAL 64 5.570 -4.811 3.897 468 2HG1 VAL 64 2HG1 VAL 64 5.988 -3.123 3.609 469 3HG1 VAL 64 3HG1 VAL 64 5.399 -4.124 2.281 470 1HG2 VAL 64 1HG2 VAL 64 2.536 -4.730 2.514 471 2HG2 VAL 64 2HG2 VAL 64 2.155 -4.659 4.234 472 3HG2 VAL 64 3HG2 VAL 64 3.517 -5.627 3.672 473 H THR 65 H THR 65 3.860 -0.556 4.379 474 HA THR 65 HA THR 65 6.687 -0.107 5.153 475 HB THR 65 HB THR 65 5.820 2.230 4.114 476 HG1 THR 65 1HG THR 65 3.690 1.582 3.921 477 1HG2 THR 65 1HG2 THR 65 7.091 1.591 2.351 478 2HG2 THR 65 2HG2 THR 65 6.085 0.179 2.024 479 3HG2 THR 65 3HG2 THR 65 7.341 0.102 3.260 480 H VAL 66 H VAL 66 7.026 2.198 6.191 481 HA VAL 66 HA VAL 66 5.973 2.226 8.815 482 HB VAL 66 HB VAL 66 6.940 4.554 8.771 483 1HG1 VAL 66 1HG1 VAL 66 8.743 2.620 7.317 484 2HG1 VAL 66 2HG1 VAL 66 8.275 2.359 8.996 485 3HG1 VAL 66 3HG1 VAL 66 9.178 3.805 8.547 486 1HG2 VAL 66 1HG2 VAL 66 6.196 4.849 6.312 487 2HG2 VAL 66 2HG2 VAL 66 7.655 3.946 5.904 488 3HG2 VAL 66 3HG2 VAL 66 7.779 5.483 6.760 489 H ASN 67 H ASN 67 4.900 4.550 9.520 490 HA ASN 67 HA ASN 67 2.177 4.493 8.949 491 1HB ASN 67 2HB ASN 67 4.116 6.670 9.719 492 2HB ASN 67 1HB ASN 67 2.401 7.033 9.532 493 1HD2 ASN 67 1HD2 ASN 67 3.267 3.814 10.606 494 2HD2 ASN 67 2HD2 ASN 67 2.809 4.021 12.228 495 HA PRO 68 HA PRO 68 1.734 6.026 4.859 496 1HB PRO 68 2HB PRO 68 -0.721 7.218 5.029 497 2HB PRO 68 1HB PRO 68 -0.500 5.457 5.027 498 1HG PRO 68 2HG PRO 68 -1.029 7.296 7.300 499 2HG PRO 68 1HG PRO 68 -1.609 5.648 7.021 500 1HD PRO 68 2HD PRO 68 0.440 6.298 8.727 501 2HD PRO 68 1HD PRO 68 0.238 4.706 7.964 502 H PHE 69 H PHE 69 3.540 7.693 5.775 503 HA PHE 69 HA PHE 69 2.446 10.432 5.356 504 1HB PHE 69 2HB PHE 69 3.918 11.142 7.134 505 2HB PHE 69 1HB PHE 69 2.955 9.809 7.740 506 HD1 PHE 69 1HD PHE 69 6.302 10.939 6.757 507 HD2 PHE 69 2HD PHE 69 3.957 7.571 8.019 508 HE1 PHE 69 1HE PHE 69 8.378 9.686 7.272 509 HE2 PHE 69 2HE PHE 69 6.032 6.315 8.533 510 HZ PHE 69 HZ PHE 69 8.244 7.373 8.160 511 H VAL 70 H VAL 70 3.429 11.285 3.540 512 HA VAL 70 HA VAL 70 5.927 10.096 2.522 513 HB VAL 70 HB VAL 70 5.410 11.803 0.682 514 1HG1 VAL 70 1HG1 VAL 70 3.294 9.770 1.437 515 2HG1 VAL 70 2HG1 VAL 70 4.756 9.444 0.506 516 3HG1 VAL 70 3HG1 VAL 70 3.496 10.479 -0.167 517 1HG2 VAL 70 1HG2 VAL 70 2.636 12.043 1.584 518 2HG2 VAL 70 2HG2 VAL 70 3.710 13.277 0.922 519 3HG2 VAL 70 3HG2 VAL 70 3.772 12.883 2.641 520 H ALA 71 H ALA 71 6.762 11.125 4.803 521 HA ALA 71 HA ALA 71 7.306 13.942 4.913 522 1HB ALA 71 1HB ALA 71 7.492 12.801 6.937 523 2HB ALA 71 2HB ALA 71 9.190 12.929 6.479 524 3HB ALA 71 3HB ALA 71 8.311 11.425 6.198 525 H THR 72 H THR 72 7.955 13.796 2.403 526 HA THR 72 HA THR 72 10.940 13.800 2.342 527 HB THR 72 HB THR 72 9.344 12.601 0.090 528 HG1 THR 72 1HG THR 72 10.116 10.603 1.458 529 1HG2 THR 72 1HG2 THR 72 11.795 11.276 0.794 530 2HG2 THR 72 2HG2 THR 72 12.082 13.013 0.697 531 3HG2 THR 72 3HG2 THR 72 11.403 12.153 -0.685 532 H SER 73 H SER 73 11.777 15.084 0.514 533 HA SER 73 HA SER 73 10.024 17.368 -0.125 534 1HB SER 73 2HB SER 73 12.029 18.445 -0.392 535 2HB SER 73 1HB SER 73 12.675 17.039 0.451 536 HG SER 73 HG SER 73 13.652 17.636 -1.650 537 H SER 74 H SER 74 10.906 14.386 -1.563 538 HA SER 74 HA SER 74 10.109 15.380 -4.279 539 1HB SER 74 2HB SER 74 11.339 13.182 -4.920 540 2HB SER 74 1HB SER 74 12.320 14.534 -4.359 541 HG SER 74 HG SER 74 11.288 12.700 -2.501 542 H ALA 75 H ALA 75 8.574 14.181 -1.784 543 HA ALA 75 HA ALA 75 7.406 11.719 -2.868 544 1HB ALA 75 1HB ALA 75 5.829 12.829 -0.792 545 2HB ALA 75 2HB ALA 75 7.503 13.232 -0.408 546 3HB ALA 75 3HB ALA 75 7.032 11.548 -0.646 547 H ASN 76 H ASN 76 7.129 14.740 -3.970 548 HA ASN 76 HA ASN 76 4.220 14.999 -4.092 549 1HB ASN 76 2HB ASN 76 6.520 16.496 -5.388 550 2HB ASN 76 1HB ASN 76 4.836 17.019 -5.416 551 1HD2 ASN 76 1HD2 ASN 76 7.490 17.992 -3.969 552 2HD2 ASN 76 2HD2 ASN 76 6.946 18.302 -2.393 553 H SER 77 H SER 77 5.982 12.749 -5.406 554 HA SER 77 HA SER 77 4.798 13.023 -8.143 555 1HB SER 77 2HB SER 77 7.199 13.177 -8.244 556 2HB SER 77 1HB SER 77 7.391 11.828 -7.127 557 HG SER 77 HG SER 77 7.509 11.572 -9.612 558 H LYS 78 H LYS 78 4.993 10.490 -9.056 559 HA LYS 78 HA LYS 78 2.942 9.049 -7.672 560 1HB LYS 78 2HB LYS 78 4.748 8.752 -9.974 561 2HB LYS 78 1HB LYS 78 4.327 7.214 -9.220 562 1HG LYS 78 2HG LYS 78 2.141 7.354 -9.847 563 2HG LYS 78 1HG LYS 78 2.072 9.095 -9.572 564 1HD LYS 78 2HD LYS 78 3.495 9.360 -11.668 565 2HD LYS 78 1HD LYS 78 3.194 7.651 -11.981 566 1HE LYS 78 2HE LYS 78 1.213 8.209 -12.923 567 2HE LYS 78 1HE LYS 78 0.678 8.857 -11.359 568 1HZ LYS 78 1HZ LYS 78 2.197 10.826 -11.978 569 2HZ LYS 78 2HZ LYS 78 0.663 10.725 -12.701 570 3HZ LYS 78 3HZ LYS 78 2.046 10.254 -13.567 571 H VAL 79 H VAL 79 3.706 8.916 -5.450 572 HA VAL 79 HA VAL 79 6.228 7.651 -4.784 573 HB VAL 79 HB VAL 79 5.305 7.873 -2.509 574 1HG1 VAL 79 1HG1 VAL 79 6.104 9.875 -3.979 575 2HG1 VAL 79 2HG1 VAL 79 5.253 10.219 -2.473 576 3HG1 VAL 79 3HG1 VAL 79 4.396 10.313 -4.012 577 1HG2 VAL 79 1HG2 VAL 79 2.906 7.296 -3.589 578 2HG2 VAL 79 2HG2 VAL 79 2.775 9.054 -3.539 579 3HG2 VAL 79 3HG2 VAL 79 3.068 8.148 -2.054 580 H LEU 80 H LEU 80 6.092 5.622 -3.245 581 HA LEU 80 HA LEU 80 4.085 3.688 -4.364 582 1HB LEU 80 2HB LEU 80 6.812 3.746 -4.738 583 2HB LEU 80 1HB LEU 80 6.652 2.632 -3.379 584 HG LEU 80 HG LEU 80 5.105 2.419 -5.978 585 1HD1 LEU 80 1HD1 LEU 80 6.772 1.140 -6.812 586 2HD1 LEU 80 2HD1 LEU 80 6.963 0.267 -5.291 587 3HD1 LEU 80 3HD1 LEU 80 7.781 1.811 -5.532 588 1HD2 LEU 80 1HD2 LEU 80 4.189 1.520 -3.687 589 2HD2 LEU 80 2HD2 LEU 80 5.416 0.269 -3.896 590 3HD2 LEU 80 3HD2 LEU 80 4.145 0.470 -5.104 591 H VAL 81 H VAL 81 2.852 2.681 -2.834 592 HA VAL 81 HA VAL 81 3.768 2.784 0.020 593 HB VAL 81 HB VAL 81 0.917 2.451 -0.886 594 1HG1 VAL 81 1HG1 VAL 81 0.589 2.664 1.327 595 2HG1 VAL 81 2HG1 VAL 81 1.304 4.275 1.270 596 3HG1 VAL 81 3HG1 VAL 81 2.324 2.869 1.573 597 1HG2 VAL 81 1HG2 VAL 81 0.706 4.930 -0.927 598 2HG2 VAL 81 2HG2 VAL 81 1.775 4.343 -2.201 599 3HG2 VAL 81 3HG2 VAL 81 2.455 5.067 -0.743 600 H GLU 82 H GLU 82 2.492 0.921 1.284 601 HA GLU 82 HA GLU 82 2.172 -1.547 -0.322 602 1HB GLU 82 2HB GLU 82 4.320 -1.095 1.773 603 2HB GLU 82 1HB GLU 82 3.908 -2.680 1.117 604 1HG GLU 82 2HG GLU 82 4.344 -1.712 -1.193 605 2HG GLU 82 1HG GLU 82 5.019 -0.298 -0.382 606 H MET 83 H MET 83 1.026 -3.186 0.850 607 HA MET 83 HA MET 83 0.258 -2.623 3.665 608 1HB MET 83 2HB MET 83 -1.288 -1.936 1.363 609 2HB MET 83 1HB MET 83 -2.106 -3.269 2.178 610 1HG MET 83 2HG MET 83 -2.507 -2.043 4.085 611 2HG MET 83 1HG MET 83 -1.051 -1.067 3.889 612 1HE MET 83 1HE MET 83 -1.935 0.350 0.471 613 2HE MET 83 2HE MET 83 -0.695 -0.153 1.618 614 3HE MET 83 3HE MET 83 -1.385 1.464 1.731 615 H GLU 84 H GLU 84 0.163 -4.565 4.761 616 HA GLU 84 HA GLU 84 0.102 -7.055 3.168 617 1HB GLU 84 2HB GLU 84 1.046 -7.943 5.375 618 2HB GLU 84 1HB GLU 84 2.073 -6.824 4.486 619 1HG GLU 84 2HG GLU 84 1.940 -5.248 6.109 620 2HG GLU 84 1HG GLU 84 0.205 -5.492 6.317 621 HA PRO 85 HA PRO 85 -3.955 -6.884 5.433 622 1HB PRO 85 2HB PRO 85 -5.514 -7.490 3.267 623 2HB PRO 85 1HB PRO 85 -5.052 -5.828 3.686 624 1HG PRO 85 2HG PRO 85 -3.915 -7.644 1.622 625 2HG PRO 85 1HG PRO 85 -4.207 -5.899 1.554 626 1HD PRO 85 2HD PRO 85 -1.747 -7.003 1.985 627 2HD PRO 85 1HD PRO 85 -2.225 -5.396 2.574 628 HA PRO 86 HA PRO 86 -4.225 -11.257 5.767 629 1HB PRO 86 2HB PRO 86 -6.913 -11.717 6.030 630 2HB PRO 86 1HB PRO 86 -5.926 -10.986 7.311 631 1HG PRO 86 2HG PRO 86 -7.748 -9.683 5.350 632 2HG PRO 86 1HG PRO 86 -7.483 -9.315 7.062 633 1HD PRO 86 2HD PRO 86 -6.393 -7.861 5.033 634 2HD PRO 86 1HD PRO 86 -5.639 -8.023 6.635 635 H PHE 87 H PHE 87 -4.817 -13.219 4.589 636 HA PHE 87 HA PHE 87 -4.827 -13.054 1.781 637 1HB PHE 87 2HB PHE 87 -6.229 -15.314 3.165 638 2HB PHE 87 1HB PHE 87 -5.005 -15.370 1.900 639 HD1 PHE 87 1HD PHE 87 -2.637 -14.416 2.570 640 HD2 PHE 87 2HD PHE 87 -5.599 -15.780 5.364 641 HE1 PHE 87 1HE PHE 87 -0.877 -14.715 4.288 642 HE2 PHE 87 2HE PHE 87 -3.840 -16.083 7.082 643 HZ PHE 87 HZ PHE 87 -1.476 -15.551 6.545 644 H GLY 88 H GLY 88 -6.395 -12.411 0.366 645 1HA GLY 88 2HA GLY 88 -8.813 -12.998 -0.295 646 2HA GLY 88 1HA GLY 88 -9.229 -12.422 1.321 647 H ASP 89 H ASP 89 -10.594 -10.831 0.144 648 HA ASP 89 HA ASP 89 -9.080 -8.660 -1.225 649 1HB ASP 89 2HB ASP 89 -11.395 -7.938 -1.843 650 2HB ASP 89 1HB ASP 89 -11.056 -9.601 -2.324 651 H SER 90 H SER 90 -8.653 -6.775 -0.141 652 HA SER 90 HA SER 90 -10.171 -6.234 2.393 653 1HB SER 90 2HB SER 90 -8.013 -5.220 3.157 654 2HB SER 90 1HB SER 90 -7.863 -6.935 2.788 655 HG SER 90 HG SER 90 -6.479 -4.954 1.774 656 H TYR 91 H TYR 91 -10.642 -3.989 2.809 657 HA TYR 91 HA TYR 91 -10.578 -2.283 0.352 658 1HB TYR 91 2HB TYR 91 -12.403 -2.766 2.637 659 2HB TYR 91 1HB TYR 91 -12.292 -1.088 2.104 660 HD1 TYR 91 1HD TYR 91 -14.602 -1.085 1.253 661 HD2 TYR 91 2HD TYR 91 -11.666 -3.844 -0.240 662 HE1 TYR 91 1HE TYR 91 -16.068 -1.601 -0.679 663 HE2 TYR 91 2HE TYR 91 -13.133 -4.360 -2.171 664 HH TYR 91 HH TYR 91 -15.027 -3.876 -3.221 665 H ILE 92 H ILE 92 -9.000 -0.729 0.380 666 HA ILE 92 HA ILE 92 -8.059 0.304 3.035 667 HB ILE 92 HB ILE 92 -6.827 0.133 0.268 668 1HG1 ILE 92 2HG1 ILE 92 -5.092 -1.137 1.761 669 2HG1 ILE 92 1HG1 ILE 92 -6.423 -1.246 2.913 670 1HG2 ILE 92 1HG2 ILE 92 -4.782 1.077 1.416 671 2HG2 ILE 92 2HG2 ILE 92 -5.817 1.484 2.785 672 3HG2 ILE 92 3HG2 ILE 92 -6.099 2.231 1.213 673 1HD1 ILE 92 1HD1 ILE 92 -5.982 -2.783 0.506 674 2HD1 ILE 92 2HD1 ILE 92 -7.520 -1.927 0.404 675 3HD1 ILE 92 3HD1 ILE 92 -7.203 -3.013 1.758 676 H VAL 93 H VAL 93 -8.431 2.471 3.486 677 HA VAL 93 HA VAL 93 -9.411 4.188 1.225 678 HB VAL 93 HB VAL 93 -10.210 4.275 4.148 679 1HG1 VAL 93 1HG1 VAL 93 -10.528 6.366 2.851 680 2HG1 VAL 93 2HG1 VAL 93 -12.072 5.641 3.302 681 3HG1 VAL 93 3HG1 VAL 93 -11.465 5.469 1.655 682 1HG2 VAL 93 1HG2 VAL 93 -11.605 2.981 1.781 683 2HG2 VAL 93 2HG2 VAL 93 -12.290 3.149 3.397 684 3HG2 VAL 93 3HG2 VAL 93 -10.875 2.128 3.140 685 H VAL 94 H VAL 94 -8.197 6.012 0.912 686 HA VAL 94 HA VAL 94 -6.293 6.834 3.070 687 HB VAL 94 HB VAL 94 -6.344 7.451 0.098 688 1HG1 VAL 94 1HG1 VAL 94 -4.586 8.793 0.514 689 2HG1 VAL 94 2HG1 VAL 94 -3.763 7.504 1.392 690 3HG1 VAL 94 3HG1 VAL 94 -4.883 8.572 2.239 691 1HG2 VAL 94 1HG2 VAL 94 -4.212 5.756 0.602 692 2HG2 VAL 94 2HG2 VAL 94 -5.748 5.271 -0.115 693 3HG2 VAL 94 3HG2 VAL 94 -5.487 5.089 1.620 694 H GLY 95 H GLY 95 -7.890 8.140 4.222 695 1HA GLY 95 2HA GLY 95 -8.204 10.817 3.051 696 2HA GLY 95 1HA GLY 95 -9.717 9.968 3.366 697 H MET 96 H MET 96 -9.631 12.147 4.781 698 HA MET 96 HA MET 96 -8.324 11.624 7.407 699 1HB MET 96 2HB MET 96 -8.791 13.979 7.787 700 2HB MET 96 1HB MET 96 -8.128 13.809 6.161 701 1HG MET 96 2HG MET 96 -10.644 13.570 5.454 702 2HG MET 96 1HG MET 96 -10.962 14.358 6.999 703 1HE MET 96 1HE MET 96 -8.915 15.451 3.291 704 2HE MET 96 2HE MET 96 -10.621 15.888 3.222 705 3HE MET 96 3HE MET 96 -10.156 14.257 3.696 706 H GLY 97 H GLY 97 -11.509 11.967 5.898 707 1HA GLY 97 2HA GLY 97 -12.871 10.395 7.810 708 2HA GLY 97 1HA GLY 97 -13.050 12.078 8.307 709 H ASP 98 H ASP 98 -13.817 13.589 6.504 710 HA ASP 98 HA ASP 98 -16.294 12.626 5.413 711 1HB ASP 98 2HB ASP 98 -14.576 15.061 4.829 712 2HB ASP 98 1HB ASP 98 -16.248 14.873 4.299 713 H LYS 99 H LYS 99 -13.908 14.191 3.320 714 HA LYS 99 HA LYS 99 -14.559 12.389 1.131 715 1HB LYS 99 2HB LYS 99 -13.247 14.941 1.621 716 2HB LYS 99 1HB LYS 99 -12.345 13.965 0.459 717 1HG LYS 99 2HG LYS 99 -14.070 15.397 -0.636 718 2HG LYS 99 1HG LYS 99 -14.347 13.676 -0.909 719 1HD LYS 99 2HD LYS 99 -16.452 14.089 -0.170 720 2HD LYS 99 1HD LYS 99 -15.722 14.112 1.436 721 1HE LYS 99 2HE LYS 99 -15.205 16.651 0.769 722 2HE LYS 99 1HE LYS 99 -16.630 16.402 -0.260 723 1HZ LYS 99 1HZ LYS 99 -16.972 17.077 2.201 724 2HZ LYS 99 2HZ LYS 99 -16.635 15.443 2.526 725 3HZ LYS 99 3HZ LYS 99 -17.951 15.862 1.535 726 H GLN 100 H GLN 100 -13.593 10.400 0.954 727 HA GLN 100 HA GLN 100 -10.689 10.176 1.614 728 1HB GLN 100 2HB GLN 100 -11.750 7.778 2.475 729 2HB GLN 100 1HB GLN 100 -11.357 9.137 3.526 730 1HG GLN 100 2HG GLN 100 -13.651 8.401 3.955 731 2HG GLN 100 1HG GLN 100 -13.669 10.007 3.226 732 1HE2 GLN 100 1HE2 GLN 100 -12.991 7.066 1.355 733 2HE2 GLN 100 2HE2 GLN 100 -14.412 7.121 0.433 734 H ILE 101 H ILE 101 -9.601 8.584 0.358 735 HA ILE 101 HA ILE 101 -11.039 7.754 -2.102 736 HB ILE 101 HB ILE 101 -8.133 7.643 -1.224 737 1HG1 ILE 101 2HG1 ILE 101 -9.608 9.524 -3.097 738 2HG1 ILE 101 1HG1 ILE 101 -9.034 9.933 -1.480 739 1HG2 ILE 101 1HG2 ILE 101 -8.113 7.574 -3.945 740 2HG2 ILE 101 2HG2 ILE 101 -9.578 6.651 -3.612 741 3HG2 ILE 101 3HG2 ILE 101 -8.035 6.132 -2.932 742 1HD1 ILE 101 1HD1 ILE 101 -7.462 9.458 -3.985 743 2HD1 ILE 101 2HD1 ILE 101 -6.721 9.057 -2.436 744 3HD1 ILE 101 3HD1 ILE 101 -7.257 10.707 -2.757 745 H ASN 102 H ASN 102 -12.182 5.848 -1.727 746 HA ASN 102 HA ASN 102 -10.966 3.712 -0.065 747 1HB ASN 102 2HB ASN 102 -13.181 2.812 -0.071 748 2HB ASN 102 1HB ASN 102 -13.386 4.560 0.033 749 1HD2 ASN 102 1HD2 ASN 102 -14.590 1.906 -1.571 750 2HD2 ASN 102 2HD2 ASN 102 -15.113 2.656 -3.001 751 H HIS 103 H HIS 103 -10.127 1.837 -0.935 752 HA HIS 103 HA HIS 103 -10.474 1.381 -3.878 753 1HB HIS 103 2HB HIS 103 -8.064 1.638 -2.139 754 2HB HIS 103 1HB HIS 103 -7.996 0.432 -3.425 755 HD1 HIS 103 1HD HIS 103 -10.198 3.137 -4.396 756 HD2 HIS 103 2HD HIS 103 -6.081 2.492 -4.520 757 HE1 HIS 103 1HE HIS 103 -9.260 4.809 -6.050 758 H HIS 104 H HIS 104 -10.201 -0.910 -4.492 759 HA HIS 104 HA HIS 104 -10.826 -2.783 -2.231 760 1HB HIS 104 2HB HIS 104 -11.632 -3.048 -5.136 761 2HB HIS 104 1HB HIS 104 -12.324 -3.877 -3.742 762 HD1 HIS 104 1HD HIS 104 -13.775 -1.828 -5.846 763 HD2 HIS 104 2HD HIS 104 -12.698 -1.064 -1.891 764 HE1 HIS 104 1HE HIS 104 -15.246 0.078 -5.058 765 H TRP 105 H TRP 105 -8.884 -3.862 -1.876 766 HA TRP 105 HA TRP 105 -7.144 -4.592 -4.125 767 1HB TRP 105 2HB TRP 105 -6.026 -3.828 -2.184 768 2HB TRP 105 1HB TRP 105 -7.062 -4.777 -1.117 769 HD1 TRP 105 HD TRP 105 -5.194 -6.221 -0.011 770 HE1 TRP 105 1HE TRP 105 -3.628 -8.070 -0.890 771 HE3 TRP 105 3HE TRP 105 -5.904 -5.661 -5.037 772 HZ2 TRP 105 2HZ TRP 105 -2.787 -9.167 -3.395 773 HZ3 TRP 105 3HZ TRP 105 -4.709 -7.119 -6.645 774 HH2 TRP 105 HH TRP 105 -3.152 -8.871 -5.832 775 H HIS 106 H HIS 106 -8.438 -6.191 -5.240 776 HA HIS 106 HA HIS 106 -9.221 -8.608 -3.682 777 1HB HIS 106 2HB HIS 106 -10.686 -9.030 -5.511 778 2HB HIS 106 1HB HIS 106 -10.727 -7.280 -5.298 779 HD1 HIS 106 1HD HIS 106 -10.415 -9.689 -7.888 780 HD2 HIS 106 2HD HIS 106 -8.512 -6.066 -7.096 781 HE1 HIS 106 1HE HIS 106 -9.398 -8.921 -10.076 782 H LYS 107 H LYS 107 -8.111 -10.527 -3.927 783 HA LYS 107 HA LYS 107 -5.715 -10.532 -5.674 784 1HB LYS 107 2HB LYS 107 -5.085 -12.435 -4.310 785 2HB LYS 107 1HB LYS 107 -5.739 -11.201 -3.234 786 1HG LYS 107 2HG LYS 107 -7.918 -12.333 -3.227 787 2HG LYS 107 1HG LYS 107 -7.301 -13.552 -4.344 788 1HD LYS 107 2HD LYS 107 -6.286 -13.019 -1.536 789 2HD LYS 107 1HD LYS 107 -7.218 -14.422 -2.059 790 1HE LYS 107 2HE LYS 107 -5.189 -15.406 -2.413 791 2HE LYS 107 1HE LYS 107 -5.091 -14.373 -3.854 792 1HZ LYS 107 1HZ LYS 107 -3.192 -13.881 -2.552 793 2HZ LYS 107 2HZ LYS 107 -4.103 -13.768 -1.122 794 3HZ LYS 107 3HZ LYS 107 -4.263 -12.584 -2.330 795 H ALA 108 H ALA 108 -8.952 -11.543 -5.847 796 HA ALA 108 HA ALA 108 -8.498 -12.973 -8.345 797 1HB ALA 108 1HB ALA 108 -9.367 -14.499 -5.867 798 2HB ALA 108 2HB ALA 108 -7.790 -14.633 -6.645 799 3HB ALA 108 3HB ALA 108 -9.240 -15.170 -7.492 800 H GLY 109 H GLY 109 -10.280 -12.423 -9.524 801 1HA GLY 109 2HA GLY 109 -12.920 -12.335 -8.129 802 2HA GLY 109 1HA GLY 109 -12.440 -11.031 -9.217 803 H SER 110 H SER 110 -14.732 -12.827 -9.530 804 HA SER 110 HA SER 110 -14.221 -14.876 -11.472 805 1HB SER 110 2HB SER 110 -16.720 -13.193 -11.220 806 2HB SER 110 1HB SER 110 -16.600 -14.892 -11.668 807 HG SER 110 HG SER 110 -15.508 -14.943 -9.421 808 H THR 111 H THR 111 -16.186 -13.955 -13.471 809 HA THR 111 HA THR 111 -14.729 -11.712 -14.803 810 HB THR 111 HB THR 111 -14.872 -13.206 -16.903 811 HG1 THR 111 1HG THR 111 -14.696 -15.510 -15.912 812 1HG2 THR 111 1HG2 THR 111 -12.846 -14.558 -16.123 813 2HG2 THR 111 2HG2 THR 111 -13.087 -13.814 -14.542 814 3HG2 THR 111 3HG2 THR 111 -12.728 -12.807 -15.945 Start of MODEL 5 1 1H ASP 1 1HT ASP 1 -4.612 -4.227 21.118 2 2H ASP 1 2HT ASP 1 -5.070 -2.967 20.074 3 3H ASP 1 3HT ASP 1 -4.072 -2.647 21.410 4 HA ASP 1 HA ASP 1 -2.249 -3.834 20.454 5 1HB ASP 1 2HB ASP 1 -2.610 -5.099 18.381 6 2HB ASP 1 1HB ASP 1 -3.768 -5.623 19.604 7 H LYS 2 H LYS 2 -2.815 -1.155 20.515 8 HA LYS 2 HA LYS 2 -2.860 -0.072 17.766 9 1HB LYS 2 2HB LYS 2 -2.920 0.968 20.587 10 2HB LYS 2 1HB LYS 2 -2.554 2.076 19.264 11 1HG LYS 2 2HG LYS 2 -4.674 1.968 18.403 12 2HG LYS 2 1HG LYS 2 -4.882 0.276 18.857 13 1HD LYS 2 2HD LYS 2 -4.946 2.626 20.774 14 2HD LYS 2 1HD LYS 2 -6.358 1.745 20.190 15 1HE LYS 2 2HE LYS 2 -6.081 0.309 21.922 16 2HE LYS 2 1HE LYS 2 -4.566 -0.222 21.165 17 1HZ LYS 2 1HZ LYS 2 -4.984 1.872 23.199 18 2HZ LYS 2 2HZ LYS 2 -3.650 1.965 22.151 19 3HZ LYS 2 3HZ LYS 2 -3.837 0.623 23.176 20 H LEU 3 H LEU 3 -1.047 0.731 16.708 21 HA LEU 3 HA LEU 3 1.589 0.017 17.766 22 1HB LEU 3 2HB LEU 3 2.237 0.303 15.562 23 2HB LEU 3 1HB LEU 3 0.508 0.065 15.319 24 HG LEU 3 HG LEU 3 1.859 2.766 15.606 25 1HD1 LEU 3 1HD1 LEU 3 0.674 2.506 13.078 26 2HD1 LEU 3 2HD1 LEU 3 1.518 0.981 13.341 27 3HD1 LEU 3 3HD1 LEU 3 2.401 2.504 13.435 28 1HD2 LEU 3 1HD2 LEU 3 -0.949 2.114 14.677 29 2HD2 LEU 3 2HD2 LEU 3 -0.288 3.698 15.088 30 3HD2 LEU 3 3HD2 LEU 3 -0.569 2.504 16.354 31 H ALA 4 H ALA 4 3.367 1.676 17.817 32 HA ALA 4 HA ALA 4 2.342 4.357 18.694 33 1HB ALA 4 1HB ALA 4 4.195 2.353 19.857 34 2HB ALA 4 2HB ALA 4 3.158 3.526 20.669 35 3HB ALA 4 3HB ALA 4 4.709 4.034 20.000 36 H LEU 5 H LEU 5 2.785 5.514 16.775 37 HA LEU 5 HA LEU 5 5.539 5.304 15.634 38 1HB LEU 5 2HB LEU 5 4.437 6.524 13.730 39 2HB LEU 5 1HB LEU 5 3.667 4.982 14.105 40 HG LEU 5 HG LEU 5 2.595 7.253 15.641 41 1HD1 LEU 5 1HD1 LEU 5 2.525 8.667 13.857 42 2HD1 LEU 5 2HD1 LEU 5 1.203 7.632 13.314 43 3HD1 LEU 5 3HD1 LEU 5 2.836 7.373 12.698 44 1HD2 LEU 5 1HD2 LEU 5 1.827 4.673 14.755 45 2HD2 LEU 5 2HD2 LEU 5 0.723 5.811 13.982 46 3HD2 LEU 5 3HD2 LEU 5 0.882 5.791 15.738 47 H LYS 6 H LYS 6 6.230 6.591 17.662 48 HA LYS 6 HA LYS 6 5.646 9.512 17.329 49 1HB LYS 6 2HB LYS 6 5.251 7.972 19.487 50 2HB LYS 6 1HB LYS 6 6.951 8.360 19.759 51 1HG LYS 6 2HG LYS 6 6.447 10.464 20.393 52 2HG LYS 6 1HG LYS 6 5.460 10.720 18.953 53 1HD LYS 6 2HD LYS 6 3.579 9.533 20.035 54 2HD LYS 6 1HD LYS 6 4.564 9.305 21.481 55 1HE LYS 6 2HE LYS 6 4.012 12.054 20.326 56 2HE LYS 6 1HE LYS 6 2.979 11.310 21.561 57 1HZ LYS 6 1HZ LYS 6 5.862 11.960 21.735 58 2HZ LYS 6 2HZ LYS 6 5.132 10.844 22.789 59 3HZ LYS 6 3HZ LYS 6 4.610 12.460 22.765 60 H GLY 7 H GLY 7 7.520 10.966 17.681 61 1HA GLY 7 2HA GLY 7 10.156 10.500 18.082 62 2HA GLY 7 1HA GLY 7 9.959 9.865 16.448 63 H THR 8 H THR 8 8.345 11.587 15.183 64 HA THR 8 HA THR 8 9.844 14.173 15.337 65 HB THR 8 HB THR 8 9.993 12.810 13.266 66 HG1 THR 8 1HG THR 8 8.814 14.574 11.942 67 1HG2 THR 8 1HG2 THR 8 7.257 12.376 13.785 68 2HG2 THR 8 2HG2 THR 8 8.187 11.779 12.411 69 3HG2 THR 8 3HG2 THR 8 7.320 13.310 12.291 70 H THR 9 H THR 9 8.524 16.141 14.825 71 HA THR 9 HA THR 9 5.734 15.873 15.896 72 HB THR 9 HB THR 9 6.542 18.529 16.109 73 HG1 THR 9 1HG THR 9 8.653 17.913 17.282 74 1HG2 THR 9 1HG2 THR 9 6.384 18.147 18.401 75 2HG2 THR 9 2HG2 THR 9 7.148 16.562 18.292 76 3HG2 THR 9 3HG2 THR 9 5.480 16.776 17.759 77 H TYR 10 H TYR 10 5.174 15.399 13.536 78 HA TYR 10 HA TYR 10 5.076 17.918 11.908 79 1HB TYR 10 2HB TYR 10 5.853 15.187 11.396 80 2HB TYR 10 1HB TYR 10 4.498 15.617 10.352 81 HD1 TYR 10 1HD TYR 10 7.741 15.271 9.979 82 HD2 TYR 10 2HD TYR 10 4.933 18.523 9.983 83 HE1 TYR 10 1HE TYR 10 9.268 16.592 8.539 84 HE2 TYR 10 2HE TYR 10 6.459 19.843 8.544 85 HH TYR 10 HH TYR 10 9.635 18.553 7.565 86 H GLY 11 H GLY 11 3.081 17.716 10.291 87 1HA GLY 11 2HA GLY 11 0.707 17.037 11.972 88 2HA GLY 11 1HA GLY 11 0.715 18.259 10.700 89 H MET 12 H MET 12 -0.790 15.574 11.195 90 HA MET 12 HA MET 12 -0.044 13.973 8.855 91 1HB MET 12 2HB MET 12 -2.494 13.805 10.625 92 2HB MET 12 1HB MET 12 -1.721 12.505 9.726 93 1HG MET 12 2HG MET 12 0.312 12.771 11.139 94 2HG MET 12 1HG MET 12 -0.539 13.992 12.083 95 1HE MET 12 1HE MET 12 -0.339 11.315 14.570 96 2HE MET 12 2HE MET 12 0.668 12.330 13.542 97 3HE MET 12 3HE MET 12 0.533 10.606 13.206 98 H CYS 13 H CYS 13 -0.566 14.972 6.901 99 HA CYS 13 HA CYS 13 -3.433 15.569 6.444 100 1HB CYS 13 2HB CYS 13 -3.040 17.822 5.809 101 2HB CYS 13 1HB CYS 13 -2.089 17.609 7.275 102 H THR 14 H THR 14 -3.756 14.131 4.774 103 HA THR 14 HA THR 14 -2.305 14.568 2.251 104 HB THR 14 HB THR 14 -2.210 11.746 3.101 105 HG1 THR 14 1HG THR 14 -0.163 12.595 4.308 106 1HG2 THR 14 1HG2 THR 14 -0.186 11.773 1.930 107 2HG2 THR 14 2HG2 THR 14 0.099 13.480 2.269 108 3HG2 THR 14 3HG2 THR 14 -1.122 13.007 1.088 109 H GLU 15 H GLU 15 -4.893 15.038 2.352 110 HA GLU 15 HA GLU 15 -6.478 12.587 1.879 111 1HB GLU 15 2HB GLU 15 -8.334 14.179 1.842 112 2HB GLU 15 1HB GLU 15 -7.277 14.562 3.201 113 1HG GLU 15 2HG GLU 15 -7.029 16.643 2.387 114 2HG GLU 15 1HG GLU 15 -6.257 15.964 0.954 115 H LYS 16 H LYS 16 -4.275 13.462 -0.018 116 HA LYS 16 HA LYS 16 -5.977 13.607 -2.482 117 1HB LYS 16 2HB LYS 16 -4.063 15.075 -3.362 118 2HB LYS 16 1HB LYS 16 -5.104 15.803 -2.138 119 1HG LYS 16 2HG LYS 16 -2.648 14.306 -1.276 120 2HG LYS 16 1HG LYS 16 -2.488 15.956 -1.880 121 1HD LYS 16 2HD LYS 16 -4.680 16.009 -0.111 122 2HD LYS 16 1HD LYS 16 -3.437 15.055 0.700 123 1HE LYS 16 2HE LYS 16 -1.809 16.841 0.447 124 2HE LYS 16 1HE LYS 16 -2.939 17.781 -0.549 125 1HZ LYS 16 1HZ LYS 16 -3.376 18.640 1.518 126 2HZ LYS 16 2HZ LYS 16 -3.055 17.181 2.326 127 3HZ LYS 16 3HZ LYS 16 -4.511 17.380 1.472 128 H PHE 17 H PHE 17 -5.389 11.130 -2.050 129 HA PHE 17 HA PHE 17 -2.675 10.500 -3.135 130 1HB PHE 17 2HB PHE 17 -4.372 9.434 -1.112 131 2HB PHE 17 1HB PHE 17 -4.248 8.213 -2.381 132 HD1 PHE 17 1HD PHE 17 -1.707 10.778 -1.470 133 HD2 PHE 17 2HD PHE 17 -2.780 6.620 -1.395 134 HE1 PHE 17 1HE PHE 17 0.582 10.201 -0.709 135 HE2 PHE 17 2HE PHE 17 -0.492 6.042 -0.633 136 HZ PHE 17 HZ PHE 17 1.189 7.832 -0.291 137 H SER 18 H SER 18 -2.470 9.391 -5.097 138 HA SER 18 HA SER 18 -5.015 8.767 -6.565 139 1HB SER 18 2HB SER 18 -2.916 10.666 -7.096 140 2HB SER 18 1HB SER 18 -2.943 9.462 -8.380 141 HG SER 18 HG SER 18 -4.845 11.346 -7.631 142 H PHE 19 H PHE 19 -4.873 6.481 -6.282 143 HA PHE 19 HA PHE 19 -2.532 4.904 -6.418 144 1HB PHE 19 2HB PHE 19 -4.236 3.120 -7.056 145 2HB PHE 19 1HB PHE 19 -4.600 4.019 -5.591 146 HD1 PHE 19 1HD PHE 19 -6.511 5.487 -5.466 147 HD2 PHE 19 2HD PHE 19 -5.421 3.638 -9.186 148 HE1 PHE 19 1HE PHE 19 -8.678 6.186 -6.448 149 HE2 PHE 19 2HE PHE 19 -7.586 4.339 -10.169 150 HZ PHE 19 HZ PHE 19 -9.215 5.613 -8.801 151 H ALA 20 H ALA 20 -1.135 4.791 -8.119 152 HA ALA 20 HA ALA 20 -2.202 5.142 -10.889 153 1HB ALA 20 1HB ALA 20 -0.335 6.391 -11.181 154 2HB ALA 20 2HB ALA 20 0.690 5.091 -10.572 155 3HB ALA 20 3HB ALA 20 -0.049 6.232 -9.449 156 H LYS 21 H LYS 21 -0.819 2.827 -8.704 157 HA LYS 21 HA LYS 21 -0.684 0.854 -10.952 158 1HB LYS 21 2HB LYS 21 1.340 1.063 -8.708 159 2HB LYS 21 1HB LYS 21 1.469 0.115 -10.190 160 1HG LYS 21 2HG LYS 21 1.192 2.456 -11.366 161 2HG LYS 21 1HG LYS 21 1.743 3.080 -9.811 162 1HD LYS 21 2HD LYS 21 3.191 1.122 -11.613 163 2HD LYS 21 1HD LYS 21 3.694 2.760 -11.196 164 1HE LYS 21 2HE LYS 21 4.133 2.148 -8.916 165 2HE LYS 21 1HE LYS 21 3.329 0.578 -9.118 166 1HZ LYS 21 1HZ LYS 21 5.486 -0.027 -9.509 167 2HZ LYS 21 2HZ LYS 21 5.922 1.484 -10.152 168 3HZ LYS 21 3HZ LYS 21 5.024 0.387 -11.087 169 H ASN 22 H ASN 22 -1.447 -1.194 -10.371 170 HA ASN 22 HA ASN 22 -3.089 -1.460 -8.026 171 1HB ASN 22 2HB ASN 22 -3.191 -3.841 -8.831 172 2HB ASN 22 1HB ASN 22 -3.496 -2.664 -10.108 173 1HD2 ASN 22 1HD2 ASN 22 -2.179 -5.504 -10.055 174 2HD2 ASN 22 2HD2 ASN 22 -0.746 -5.278 -10.938 175 HA PRO 23 HA PRO 23 -0.259 -2.922 -5.017 176 1HB PRO 23 2HB PRO 23 -1.668 -4.933 -3.799 177 2HB PRO 23 1HB PRO 23 -2.045 -3.213 -3.576 178 1HG PRO 23 2HG PRO 23 -3.364 -5.229 -5.325 179 2HG PRO 23 1HG PRO 23 -4.082 -3.928 -4.362 180 1HD PRO 23 2HD PRO 23 -3.709 -3.762 -7.053 181 2HD PRO 23 1HD PRO 23 -3.709 -2.346 -5.978 182 H ALA 24 H ALA 24 1.474 -4.337 -5.026 183 HA ALA 24 HA ALA 24 1.149 -6.952 -6.455 184 1HB ALA 24 1HB ALA 24 3.779 -5.840 -6.789 185 2HB ALA 24 2HB ALA 24 2.585 -4.620 -7.233 186 3HB ALA 24 3HB ALA 24 2.577 -6.193 -8.030 187 H ASP 25 H ASP 25 1.823 -8.618 -5.161 188 HA ASP 25 HA ASP 25 3.038 -8.168 -2.576 189 1HB ASP 25 2HB ASP 25 1.486 -10.041 -3.384 190 2HB ASP 25 1HB ASP 25 2.906 -10.746 -4.158 191 H THR 26 H THR 26 5.156 -7.484 -2.454 192 HA THR 26 HA THR 26 7.125 -8.310 -4.493 193 HB THR 26 HB THR 26 8.416 -6.880 -2.499 194 HG1 THR 26 1HG THR 26 6.448 -6.601 -1.412 195 1HG2 THR 26 1HG2 THR 26 6.811 -5.624 -4.731 196 2HG2 THR 26 2HG2 THR 26 8.297 -6.529 -5.020 197 3HG2 THR 26 3HG2 THR 26 8.334 -5.061 -4.045 198 H GLY 27 H GLY 27 5.903 -10.209 -2.383 199 1HA GLY 27 2HA GLY 27 8.111 -11.892 -1.964 200 2HA GLY 27 1HA GLY 27 7.998 -10.878 -0.525 201 H HIS 28 H HIS 28 6.781 -11.745 1.075 202 HA HIS 28 HA HIS 28 4.467 -13.489 0.300 203 1HB HIS 28 2HB HIS 28 5.180 -14.728 2.477 204 2HB HIS 28 1HB HIS 28 6.148 -14.981 1.026 205 HD1 HIS 28 1HD HIS 28 6.215 -12.048 3.464 206 HD2 HIS 28 2HD HIS 28 8.738 -15.031 2.008 207 HE1 HIS 28 1HE HIS 28 8.508 -11.585 4.435 208 H GLY 29 H GLY 29 3.025 -11.677 0.698 209 1HA GLY 29 2HA GLY 29 1.374 -10.986 2.348 210 2HA GLY 29 1HA GLY 29 2.600 -11.177 3.602 211 H THR 30 H THR 30 4.210 -9.739 1.142 212 HA THR 30 HA THR 30 3.801 -7.036 2.343 213 HB THR 30 HB THR 30 6.035 -6.620 1.594 214 HG1 THR 30 1HG THR 30 6.001 -9.051 0.168 215 1HG2 THR 30 1HG2 THR 30 6.223 -9.555 2.185 216 2HG2 THR 30 2HG2 THR 30 5.587 -8.462 3.415 217 3HG2 THR 30 3HG2 THR 30 7.219 -8.232 2.789 218 H VAL 31 H VAL 31 2.226 -5.952 1.176 219 HA VAL 31 HA VAL 31 2.204 -6.213 -1.775 220 HB VAL 31 HB VAL 31 0.215 -4.896 0.089 221 1HG1 VAL 31 1HG1 VAL 31 0.387 -4.707 -2.612 222 2HG1 VAL 31 2HG1 VAL 31 -1.145 -4.680 -1.740 223 3HG1 VAL 31 3HG1 VAL 31 -0.573 -6.180 -2.469 224 1HG2 VAL 31 1HG2 VAL 31 0.596 -7.765 -0.748 225 2HG2 VAL 31 2HG2 VAL 31 -1.022 -7.152 -0.401 226 3HG2 VAL 31 3HG2 VAL 31 0.222 -7.118 0.850 227 H VAL 32 H VAL 32 2.766 -4.463 -3.058 228 HA VAL 32 HA VAL 32 3.346 -1.880 -1.655 229 HB VAL 32 HB VAL 32 4.945 -1.850 -3.834 230 1HG1 VAL 32 1HG1 VAL 32 5.224 -2.657 -1.024 231 2HG1 VAL 32 2HG1 VAL 32 6.216 -1.555 -1.979 232 3HG1 VAL 32 3HG1 VAL 32 6.491 -3.295 -2.069 233 1HG2 VAL 32 1HG2 VAL 32 4.786 -4.772 -3.044 234 2HG2 VAL 32 2HG2 VAL 32 5.841 -4.065 -4.268 235 3HG2 VAL 32 3HG2 VAL 32 4.097 -4.110 -4.526 236 H ILE 33 H ILE 33 2.312 -0.101 -2.499 237 HA ILE 33 HA ILE 33 1.169 -0.301 -5.265 238 HB ILE 33 HB ILE 33 -0.441 -0.801 -3.343 239 1HG1 ILE 33 2HG1 ILE 33 -1.124 -0.016 -5.629 240 2HG1 ILE 33 1HG1 ILE 33 -2.240 0.477 -4.355 241 1HG2 ILE 33 1HG2 ILE 33 -1.306 1.454 -2.341 242 2HG2 ILE 33 2HG2 ILE 33 0.306 2.046 -2.737 243 3HG2 ILE 33 3HG2 ILE 33 0.113 0.685 -1.634 244 1HD1 ILE 33 1HD1 ILE 33 -0.536 2.127 -6.090 245 2HD1 ILE 33 2HD1 ILE 33 -0.427 2.555 -4.383 246 3HD1 ILE 33 3HD1 ILE 33 -1.991 2.568 -5.196 247 H GLU 34 H GLU 34 1.235 1.658 -6.407 248 HA GLU 34 HA GLU 34 2.727 3.868 -5.048 249 1HB GLU 34 2HB GLU 34 3.398 2.446 -7.223 250 2HB GLU 34 1HB GLU 34 2.408 3.677 -8.009 251 1HG GLU 34 2HG GLU 34 3.763 5.441 -6.882 252 2HG GLU 34 1HG GLU 34 4.794 4.179 -6.206 253 H LEU 35 H LEU 35 1.696 5.802 -4.790 254 HA LEU 35 HA LEU 35 -0.677 6.415 -6.508 255 1HB LEU 35 2HB LEU 35 -0.529 6.997 -3.544 256 2HB LEU 35 1HB LEU 35 -1.958 6.967 -4.578 257 HG LEU 35 HG LEU 35 -1.264 4.457 -4.967 258 1HD1 LEU 35 1HD1 LEU 35 0.457 5.370 -2.748 259 2HD1 LEU 35 2HD1 LEU 35 0.652 3.991 -3.831 260 3HD1 LEU 35 3HD1 LEU 35 -0.415 3.869 -2.432 261 1HD2 LEU 35 1HD2 LEU 35 -2.291 4.625 -2.240 262 2HD2 LEU 35 2HD2 LEU 35 -3.098 4.061 -3.703 263 3HD2 LEU 35 3HD2 LEU 35 -3.082 5.780 -3.313 264 H SER 36 H SER 36 -0.603 8.535 -7.251 265 HA SER 36 HA SER 36 1.718 10.160 -6.609 266 1HB SER 36 2HB SER 36 -0.580 11.232 -8.160 267 2HB SER 36 1HB SER 36 1.136 11.238 -8.556 268 HG SER 36 HG SER 36 -0.812 9.452 -9.214 269 H TYR 37 H TYR 37 1.735 11.558 -4.870 270 HA TYR 37 HA TYR 37 -0.863 12.227 -3.631 271 1HB TYR 37 2HB TYR 37 0.739 11.594 -2.042 272 2HB TYR 37 1HB TYR 37 2.051 12.393 -2.907 273 HD1 TYR 37 1HD TYR 37 -1.011 13.013 -0.882 274 HD2 TYR 37 2HD TYR 37 2.641 14.652 -2.436 275 HE1 TYR 37 1HE TYR 37 -1.318 15.030 0.525 276 HE2 TYR 37 2HE TYR 37 2.336 16.670 -1.029 277 HH TYR 37 HH TYR 37 0.821 17.818 0.228 278 H SER 38 H SER 38 -1.852 13.921 -4.717 279 HA SER 38 HA SER 38 -0.221 16.141 -5.752 280 1HB SER 38 2HB SER 38 -2.829 14.891 -6.247 281 2HB SER 38 1HB SER 38 -2.888 16.650 -6.294 282 HG SER 38 HG SER 38 -1.647 16.650 -8.018 283 H GLY 39 H GLY 39 0.209 16.634 -3.308 284 1HA GLY 39 2HA GLY 39 -1.994 18.392 -2.304 285 2HA GLY 39 1HA GLY 39 -0.950 17.467 -1.225 286 H SER 40 H SER 40 -1.434 20.513 -2.144 287 HA SER 40 HA SER 40 1.355 21.308 -2.695 288 1HB SER 40 2HB SER 40 0.147 23.609 -2.541 289 2HB SER 40 1HB SER 40 -0.291 22.530 -3.863 290 HG SER 40 HG SER 40 -2.178 23.194 -2.914 291 H ASP 41 H ASP 41 0.575 20.037 -0.053 292 HA ASP 41 HA ASP 41 1.197 22.324 1.783 293 1HB ASP 41 2HB ASP 41 0.319 20.642 3.498 294 2HB ASP 41 1HB ASP 41 -0.863 21.219 2.323 295 H GLY 42 H GLY 42 2.711 19.825 0.182 296 1HA GLY 42 2HA GLY 42 5.032 19.263 0.465 297 2HA GLY 42 1HA GLY 42 4.943 19.842 2.129 298 HA PRO 43 HA PRO 43 4.771 15.270 2.331 299 1HB PRO 43 2HB PRO 43 6.435 15.065 4.496 300 2HB PRO 43 1HB PRO 43 7.029 15.146 2.824 301 1HG PRO 43 2HG PRO 43 6.905 17.277 4.892 302 2HG PRO 43 1HG PRO 43 8.143 16.962 3.668 303 1HD PRO 43 2HD PRO 43 6.245 18.919 3.443 304 2HD PRO 43 1HD PRO 43 7.033 18.138 2.054 305 H CYS 44 H CYS 44 3.646 14.011 3.954 306 HA CYS 44 HA CYS 44 2.835 15.160 6.509 307 1HB CYS 44 2HB CYS 44 1.467 15.909 4.133 308 2HB CYS 44 1HB CYS 44 0.404 14.806 5.004 309 H LYS 45 H LYS 45 1.479 13.622 7.710 310 HA LYS 45 HA LYS 45 1.981 10.845 7.048 311 1HB LYS 45 2HB LYS 45 -0.076 11.890 9.002 312 2HB LYS 45 1HB LYS 45 0.921 10.443 9.137 313 1HG LYS 45 2HG LYS 45 1.773 13.326 9.450 314 2HG LYS 45 1HG LYS 45 1.914 12.015 10.619 315 1HD LYS 45 2HD LYS 45 3.722 11.039 9.517 316 2HD LYS 45 1HD LYS 45 3.307 11.774 7.969 317 1HE LYS 45 2HE LYS 45 4.814 13.402 8.425 318 2HE LYS 45 1HE LYS 45 3.762 13.928 9.753 319 1HZ LYS 45 1HZ LYS 45 4.765 12.246 11.172 320 2HZ LYS 45 2HZ LYS 45 5.954 13.306 10.581 321 3HZ LYS 45 3HZ LYS 45 5.785 11.754 9.909 322 H ILE 46 H ILE 46 0.759 9.602 5.672 323 HA ILE 46 HA ILE 46 -1.696 10.680 4.497 324 HB ILE 46 HB ILE 46 -0.621 7.883 4.165 325 1HG1 ILE 46 2HG1 ILE 46 0.589 10.485 3.202 326 2HG1 ILE 46 1HG1 ILE 46 1.391 9.158 4.042 327 1HG2 ILE 46 1HG2 ILE 46 -1.678 9.866 2.134 328 2HG2 ILE 46 2HG2 ILE 46 -2.716 8.734 3.001 329 3HG2 ILE 46 3HG2 ILE 46 -1.455 8.129 1.926 330 1HD1 ILE 46 1HD1 ILE 46 0.965 9.519 1.198 331 2HD1 ILE 46 2HD1 ILE 46 0.264 7.995 1.746 332 3HD1 ILE 46 3HD1 ILE 46 1.971 8.333 2.030 333 HA PRO 47 HA PRO 47 -4.051 8.645 7.750 334 1HB PRO 47 2HB PRO 47 -6.383 9.968 7.219 335 2HB PRO 47 1HB PRO 47 -5.063 10.687 8.163 336 1HG PRO 47 2HG PRO 47 -5.825 11.138 5.328 337 2HG PRO 47 1HG PRO 47 -5.195 12.280 6.524 338 1HD PRO 47 2HD PRO 47 -3.691 11.137 4.528 339 2HD PRO 47 1HD PRO 47 -3.028 11.771 6.049 340 H ILE 48 H ILE 48 -3.903 6.630 6.426 341 HA ILE 48 HA ILE 48 -6.352 6.211 4.740 342 HB ILE 48 HB ILE 48 -3.517 5.170 4.478 343 1HG1 ILE 48 2HG1 ILE 48 -5.156 6.676 2.437 344 2HG1 ILE 48 1HG1 ILE 48 -4.227 7.530 3.669 345 1HG2 ILE 48 1HG2 ILE 48 -4.614 3.322 3.676 346 2HG2 ILE 48 2HG2 ILE 48 -4.756 4.322 2.232 347 3HG2 ILE 48 3HG2 ILE 48 -6.104 4.213 3.365 348 1HD1 ILE 48 1HD1 ILE 48 -2.999 7.169 1.484 349 2HD1 ILE 48 2HD1 ILE 48 -3.024 5.442 1.835 350 3HD1 ILE 48 3HD1 ILE 48 -2.166 6.548 2.908 351 H VAL 49 H VAL 49 -7.399 4.184 4.998 352 HA VAL 49 HA VAL 49 -6.514 2.593 7.383 353 HB VAL 49 HB VAL 49 -8.859 2.251 7.817 354 1HG1 VAL 49 1HG1 VAL 49 -8.998 4.330 8.669 355 2HG1 VAL 49 2HG1 VAL 49 -9.394 4.969 7.075 356 3HG1 VAL 49 3HG1 VAL 49 -7.709 4.849 7.583 357 1HG2 VAL 49 1HG2 VAL 49 -9.230 3.435 5.052 358 2HG2 VAL 49 2HG2 VAL 49 -10.558 3.221 6.194 359 3HG2 VAL 49 3HG2 VAL 49 -9.675 1.816 5.593 360 H SER 50 H SER 50 -6.418 0.335 7.120 361 HA SER 50 HA SER 50 -7.025 -0.701 4.369 362 1HB SER 50 2HB SER 50 -4.752 -1.181 6.303 363 2HB SER 50 1HB SER 50 -5.083 -2.293 4.977 364 HG SER 50 HG SER 50 -3.632 -0.763 4.255 365 H VAL 51 H VAL 51 -9.009 -1.704 4.807 366 HA VAL 51 HA VAL 51 -8.960 -3.843 6.909 367 HB VAL 51 HB VAL 51 -11.357 -3.256 7.274 368 1HG1 VAL 51 1HG1 VAL 51 -9.072 -1.845 8.094 369 2HG1 VAL 51 2HG1 VAL 51 -10.660 -1.817 8.863 370 3HG1 VAL 51 3HG1 VAL 51 -10.242 -0.602 7.654 371 1HG2 VAL 51 1HG2 VAL 51 -11.067 -0.668 5.873 372 2HG2 VAL 51 2HG2 VAL 51 -12.465 -1.736 5.981 373 3HG2 VAL 51 3HG2 VAL 51 -11.188 -2.072 4.812 374 H ALA 52 H ALA 52 -10.335 -5.687 6.394 375 HA ALA 52 HA ALA 52 -10.174 -6.660 3.744 376 1HB ALA 52 1HB ALA 52 -10.534 -8.282 5.365 377 2HB ALA 52 2HB ALA 52 -12.178 -8.114 4.751 378 3HB ALA 52 3HB ALA 52 -11.705 -7.294 6.238 379 H SER 53 H SER 53 -12.047 -7.117 2.267 380 HA SER 53 HA SER 53 -13.491 -4.760 1.562 381 1HB SER 53 2HB SER 53 -12.848 -6.759 0.142 382 2HB SER 53 1HB SER 53 -14.164 -7.644 0.911 383 HG SER 53 HG SER 53 -14.281 -5.335 -0.723 384 H LEU 54 H LEU 54 -15.230 -3.889 2.603 385 HA LEU 54 HA LEU 54 -17.414 -3.845 3.560 386 1HB LEU 54 2HB LEU 54 -17.228 -6.322 2.367 387 2HB LEU 54 1HB LEU 54 -17.545 -6.746 4.050 388 HG LEU 54 HG LEU 54 -19.182 -4.781 2.420 389 1HD1 LEU 54 1HD1 LEU 54 -20.774 -6.937 3.180 390 2HD1 LEU 54 2HD1 LEU 54 -19.258 -7.688 2.680 391 3HD1 LEU 54 3HD1 LEU 54 -20.135 -6.642 1.563 392 1HD2 LEU 54 1HD2 LEU 54 -19.284 -5.790 5.255 393 2HD2 LEU 54 2HD2 LEU 54 -20.761 -5.267 4.447 394 3HD2 LEU 54 3HD2 LEU 54 -19.427 -4.135 4.665 395 H ASN 55 H ASN 55 -14.799 -3.863 5.032 396 HA ASN 55 HA ASN 55 -15.906 -4.620 7.710 397 1HB ASN 55 2HB ASN 55 -13.037 -5.017 6.815 398 2HB ASN 55 1HB ASN 55 -13.804 -5.651 8.271 399 1HD2 ASN 55 1HD2 ASN 55 -15.569 -7.308 7.917 400 2HD2 ASN 55 2HD2 ASN 55 -15.501 -8.292 6.536 401 H ASP 56 H ASP 56 -16.351 -2.270 7.873 402 HA ASP 56 HA ASP 56 -13.905 -0.561 8.086 403 1HB ASP 56 2HB ASP 56 -16.202 -0.195 6.705 404 2HB ASP 56 1HB ASP 56 -16.658 0.560 8.233 405 H MET 57 H MET 57 -15.592 -2.479 10.094 406 HA MET 57 HA MET 57 -15.798 -0.497 12.318 407 1HB MET 57 2HB MET 57 -17.623 -2.201 11.488 408 2HB MET 57 1HB MET 57 -16.684 -3.368 12.420 409 1HG MET 57 2HG MET 57 -17.729 -2.644 14.276 410 2HG MET 57 1HG MET 57 -16.929 -1.086 14.064 411 1HE MET 57 1HE MET 57 -21.166 -2.369 13.381 412 2HE MET 57 2HE MET 57 -20.395 -2.162 14.951 413 3HE MET 57 3HE MET 57 -19.726 -3.309 13.793 414 H THR 58 H THR 58 -13.875 -3.113 11.148 415 HA THR 58 HA THR 58 -12.300 -3.061 13.694 416 HB THR 58 HB THR 58 -12.044 -5.566 13.329 417 HG1 THR 58 1HG THR 58 -12.915 -5.183 11.063 418 1HG2 THR 58 1HG2 THR 58 -14.666 -4.233 13.952 419 2HG2 THR 58 2HG2 THR 58 -13.526 -5.004 15.054 420 3HG2 THR 58 3HG2 THR 58 -14.532 -5.991 13.994 421 HA PRO 59 HA PRO 59 -8.956 -2.511 10.887 422 1HB PRO 59 2HB PRO 59 -6.899 -3.218 12.546 423 2HB PRO 59 1HB PRO 59 -7.774 -1.681 12.694 424 1HG PRO 59 2HG PRO 59 -8.048 -4.175 14.287 425 2HG PRO 59 1HG PRO 59 -8.146 -2.487 14.807 426 1HD PRO 59 2HD PRO 59 -10.328 -4.091 14.400 427 2HD PRO 59 1HD PRO 59 -10.361 -2.319 14.276 428 H VAL 60 H VAL 60 -8.119 -3.860 9.326 429 HA VAL 60 HA VAL 60 -7.595 -6.717 10.047 430 HB VAL 60 HB VAL 60 -8.831 -5.821 7.448 431 1HG1 VAL 60 1HG1 VAL 60 -9.434 -8.099 7.212 432 2HG1 VAL 60 2HG1 VAL 60 -9.183 -8.430 8.926 433 3HG1 VAL 60 3HG1 VAL 60 -7.799 -8.152 7.868 434 1HG2 VAL 60 1HG2 VAL 60 -10.298 -6.645 9.975 435 2HG2 VAL 60 2HG2 VAL 60 -11.040 -6.302 8.412 436 3HG2 VAL 60 3HG2 VAL 60 -10.254 -5.010 9.318 437 H GLY 61 H GLY 61 -7.313 -4.486 7.299 438 1HA GLY 61 2HA GLY 61 -4.860 -5.691 6.346 439 2HA GLY 61 1HA GLY 61 -5.547 -4.165 5.778 440 H ARG 62 H ARG 62 -2.717 -4.676 6.429 441 HA ARG 62 HA ARG 62 -2.412 -2.540 8.498 442 1HB ARG 62 2HB ARG 62 -0.804 -5.104 8.457 443 2HB ARG 62 1HB ARG 62 -0.877 -3.899 9.742 444 1HG ARG 62 2HG ARG 62 -3.438 -4.450 9.755 445 2HG ARG 62 1HG ARG 62 -2.940 -5.935 8.945 446 1HD ARG 62 2HD ARG 62 -1.751 -6.710 10.800 447 2HD ARG 62 1HD ARG 62 -1.496 -5.075 11.443 448 HE ARG 62 HE ARG 62 -4.028 -5.058 11.847 449 1HH1 ARG 62 1HH2 ARG 62 -2.425 -6.824 13.761 450 2HH1 ARG 62 2HH2 ARG 62 -3.401 -8.255 13.786 451 1HH2 ARG 62 1HH1 ARG 62 -5.197 -7.398 10.946 452 2HH2 ARG 62 2HH1 ARG 62 -4.970 -8.581 12.190 453 H LEU 63 H LEU 63 -0.330 -1.445 8.358 454 HA LEU 63 HA LEU 63 0.750 -1.390 5.615 455 1HB LEU 63 2HB LEU 63 1.401 0.173 8.137 456 2HB LEU 63 1HB LEU 63 1.935 0.591 6.508 457 HG LEU 63 HG LEU 63 -0.913 0.169 6.496 458 1HD1 LEU 63 1HD1 LEU 63 0.216 1.773 8.752 459 2HD1 LEU 63 2HD1 LEU 63 -1.266 0.820 8.685 460 3HD1 LEU 63 3HD1 LEU 63 -1.204 2.408 7.920 461 1HD2 LEU 63 1HD2 LEU 63 -0.647 2.762 5.951 462 2HD2 LEU 63 2HD2 LEU 63 -0.111 1.536 4.802 463 3HD2 LEU 63 3HD2 LEU 63 1.060 2.329 5.854 464 H VAL 64 H VAL 64 2.775 -2.177 5.036 465 HA VAL 64 HA VAL 64 4.194 -3.857 7.020 466 HB VAL 64 HB VAL 64 4.424 -3.392 4.031 467 1HG1 VAL 64 1HG1 VAL 64 5.994 -5.168 5.907 468 2HG1 VAL 64 2HG1 VAL 64 6.613 -4.024 4.717 469 3HG1 VAL 64 3HG1 VAL 64 5.853 -5.524 4.186 470 1HG2 VAL 64 1HG2 VAL 64 2.411 -4.622 5.021 471 2HG2 VAL 64 2HG2 VAL 64 3.548 -5.865 5.543 472 3HG2 VAL 64 3HG2 VAL 64 3.345 -5.520 3.825 473 H THR 65 H THR 65 4.646 -0.870 5.196 474 HA THR 65 HA THR 65 7.470 -0.648 6.092 475 HB THR 65 HB THR 65 6.752 -0.139 3.756 476 HG1 THR 65 1HG THR 65 7.813 1.861 3.671 477 1HG2 THR 65 1HG2 THR 65 5.544 2.433 4.388 478 2HG2 THR 65 2HG2 THR 65 4.601 1.091 5.037 479 3HG2 THR 65 3HG2 THR 65 4.965 1.161 3.313 480 H VAL 66 H VAL 66 8.016 1.735 6.833 481 HA VAL 66 HA VAL 66 7.054 2.276 9.370 482 HB VAL 66 HB VAL 66 7.843 4.274 7.224 483 1HG1 VAL 66 1HG1 VAL 66 7.165 5.624 8.984 484 2HG1 VAL 66 2HG1 VAL 66 8.840 5.325 9.450 485 3HG1 VAL 66 3HG1 VAL 66 7.537 4.402 10.201 486 1HG2 VAL 66 1HG2 VAL 66 9.315 2.211 8.733 487 2HG2 VAL 66 2HG2 VAL 66 10.051 3.812 8.793 488 3HG2 VAL 66 3HG2 VAL 66 9.754 3.036 7.238 489 H ASN 67 H ASN 67 5.670 4.260 10.022 490 HA ASN 67 HA ASN 67 2.983 3.962 9.370 491 1HB ASN 67 2HB ASN 67 2.705 6.030 10.502 492 2HB ASN 67 1HB ASN 67 4.220 5.398 11.144 493 1HD2 ASN 67 1HD2 ASN 67 3.089 8.281 10.464 494 2HD2 ASN 67 2HD2 ASN 67 4.403 9.007 9.674 495 HA PRO 68 HA PRO 68 2.406 5.647 5.360 496 1HB PRO 68 2HB PRO 68 -0.032 6.867 5.609 497 2HB PRO 68 1HB PRO 68 0.165 5.104 5.559 498 1HG PRO 68 2HG PRO 68 -0.270 6.894 7.894 499 2HG PRO 68 1HG PRO 68 -0.907 5.274 7.579 500 1HD PRO 68 2HD PRO 68 1.184 5.783 9.264 501 2HD PRO 68 1HD PRO 68 0.954 4.240 8.412 502 H PHE 69 H PHE 69 4.122 7.258 5.419 503 HA PHE 69 HA PHE 69 3.103 10.045 5.582 504 1HB PHE 69 2HB PHE 69 3.878 9.666 7.808 505 2HB PHE 69 1HB PHE 69 5.301 8.795 7.241 506 HD1 PHE 69 1HD PHE 69 6.911 10.204 8.381 507 HD2 PHE 69 2HD PHE 69 4.075 11.879 5.628 508 HE1 PHE 69 1HE PHE 69 8.197 12.325 8.347 509 HE2 PHE 69 2HE PHE 69 5.360 14.000 5.591 510 HZ PHE 69 HZ PHE 69 7.421 14.223 6.952 511 H VAL 70 H VAL 70 3.792 11.004 3.709 512 HA VAL 70 HA VAL 70 6.063 9.865 2.199 513 HB VAL 70 HB VAL 70 4.470 12.323 1.486 514 1HG1 VAL 70 1HG1 VAL 70 6.373 11.425 0.064 515 2HG1 VAL 70 2HG1 VAL 70 4.822 11.552 -0.766 516 3HG1 VAL 70 3HG1 VAL 70 5.393 9.983 -0.201 517 1HG2 VAL 70 1HG2 VAL 70 3.531 9.456 1.575 518 2HG2 VAL 70 2HG2 VAL 70 2.856 10.594 0.410 519 3HG2 VAL 70 3HG2 VAL 70 2.696 10.905 2.139 520 H ALA 71 H ALA 71 7.357 10.704 4.307 521 HA ALA 71 HA ALA 71 7.946 13.530 4.479 522 1HB ALA 71 1HB ALA 71 9.084 12.803 6.309 523 2HB ALA 71 2HB ALA 71 10.007 11.632 5.366 524 3HB ALA 71 3HB ALA 71 8.392 11.223 5.942 525 H THR 72 H THR 72 8.196 13.458 1.895 526 HA THR 72 HA THR 72 11.135 13.412 1.379 527 HB THR 72 HB THR 72 9.911 11.265 0.694 528 HG1 THR 72 1HG THR 72 11.291 12.906 -1.146 529 1HG2 THR 72 1HG2 THR 72 8.129 11.370 -0.680 530 2HG2 THR 72 2HG2 THR 72 8.978 12.435 -1.800 531 3HG2 THR 72 3HG2 THR 72 8.128 13.113 -0.411 532 H SER 73 H SER 73 11.749 14.825 -0.389 533 HA SER 73 HA SER 73 10.021 17.160 -0.689 534 1HB SER 73 2HB SER 73 12.551 17.089 -0.491 535 2HB SER 73 1HB SER 73 12.591 16.430 -2.124 536 HG SER 73 HG SER 73 11.158 18.786 -1.547 537 H SER 74 H SER 74 10.064 14.178 -2.205 538 HA SER 74 HA SER 74 9.035 15.327 -4.781 539 1HB SER 74 2HB SER 74 10.918 13.199 -4.064 540 2HB SER 74 1HB SER 74 9.681 12.653 -5.193 541 HG SER 74 HG SER 74 11.170 15.047 -5.510 542 H ALA 75 H ALA 75 7.640 14.591 -2.125 543 HA ALA 75 HA ALA 75 6.068 12.225 -2.525 544 1HB ALA 75 1HB ALA 75 5.697 14.790 -0.960 545 2HB ALA 75 2HB ALA 75 6.270 13.235 -0.357 546 3HB ALA 75 3HB ALA 75 4.583 13.429 -0.834 547 H ASN 76 H ASN 76 6.064 15.108 -4.279 548 HA ASN 76 HA ASN 76 3.191 15.206 -4.805 549 1HB ASN 76 2HB ASN 76 5.579 16.608 -6.048 550 2HB ASN 76 1HB ASN 76 3.891 17.053 -6.302 551 1HD2 ASN 76 1HD2 ASN 76 6.527 18.004 -4.562 552 2HD2 ASN 76 2HD2 ASN 76 5.760 18.642 -3.189 553 H SER 77 H SER 77 4.994 12.793 -5.483 554 HA SER 77 HA SER 77 4.185 12.636 -8.352 555 1HB SER 77 2HB SER 77 6.577 11.132 -7.522 556 2HB SER 77 1HB SER 77 6.333 12.146 -8.940 557 HG SER 77 HG SER 77 7.793 13.180 -7.631 558 H LYS 78 H LYS 78 4.663 10.058 -8.892 559 HA LYS 78 HA LYS 78 2.648 8.593 -7.480 560 1HB LYS 78 2HB LYS 78 3.566 6.708 -8.822 561 2HB LYS 78 1HB LYS 78 3.377 8.162 -9.802 562 1HG LYS 78 2HG LYS 78 5.854 8.643 -9.079 563 2HG LYS 78 1HG LYS 78 5.896 6.911 -8.746 564 1HD LYS 78 2HD LYS 78 4.901 6.631 -11.118 565 2HD LYS 78 1HD LYS 78 5.404 8.301 -11.378 566 1HE LYS 78 2HE LYS 78 7.694 7.784 -11.132 567 2HE LYS 78 1HE LYS 78 7.349 6.254 -10.297 568 1HZ LYS 78 1HZ LYS 78 6.594 6.866 -13.107 569 2HZ LYS 78 2HZ LYS 78 6.346 5.394 -12.297 570 3HZ LYS 78 3HZ LYS 78 7.924 5.916 -12.652 571 H VAL 79 H VAL 79 3.254 8.760 -5.213 572 HA VAL 79 HA VAL 79 5.836 7.854 -4.261 573 HB VAL 79 HB VAL 79 4.765 8.227 -2.095 574 1HG1 VAL 79 1HG1 VAL 79 4.551 10.500 -2.351 575 2HG1 VAL 79 2HG1 VAL 79 3.456 10.343 -3.725 576 3HG1 VAL 79 3HG1 VAL 79 5.193 10.130 -3.951 577 1HG2 VAL 79 1HG2 VAL 79 2.481 7.298 -3.427 578 2HG2 VAL 79 2HG2 VAL 79 2.138 8.990 -3.069 579 3HG2 VAL 79 3HG2 VAL 79 2.559 7.881 -1.765 580 H LEU 80 H LEU 80 5.707 5.972 -2.467 581 HA LEU 80 HA LEU 80 3.926 3.778 -3.471 582 1HB LEU 80 2HB LEU 80 6.490 3.971 -4.199 583 2HB LEU 80 1HB LEU 80 6.735 3.194 -2.634 584 HG LEU 80 HG LEU 80 4.592 2.042 -4.333 585 1HD1 LEU 80 1HD1 LEU 80 7.252 0.987 -5.008 586 2HD1 LEU 80 2HD1 LEU 80 6.980 2.630 -5.589 587 3HD1 LEU 80 3HD1 LEU 80 5.881 1.335 -6.061 588 1HD2 LEU 80 1HD2 LEU 80 6.584 1.221 -2.283 589 2HD2 LEU 80 2HD2 LEU 80 6.165 0.004 -3.488 590 3HD2 LEU 80 3HD2 LEU 80 4.904 0.720 -2.483 591 H VAL 81 H VAL 81 3.213 2.337 -1.864 592 HA VAL 81 HA VAL 81 4.198 2.815 0.927 593 HB VAL 81 HB VAL 81 2.065 3.995 0.425 594 1HG1 VAL 81 1HG1 VAL 81 0.214 2.942 -0.466 595 2HG1 VAL 81 2HG1 VAL 81 0.666 1.367 0.187 596 3HG1 VAL 81 3HG1 VAL 81 1.487 1.999 -1.240 597 1HG2 VAL 81 1HG2 VAL 81 0.998 3.347 2.409 598 2HG2 VAL 81 2HG2 VAL 81 2.640 2.753 2.662 599 3HG2 VAL 81 3HG2 VAL 81 1.367 1.640 2.161 600 H GLU 82 H GLU 82 3.266 0.908 2.368 601 HA GLU 82 HA GLU 82 3.175 -1.643 0.808 602 1HB GLU 82 2HB GLU 82 4.989 -0.984 3.152 603 2HB GLU 82 1HB GLU 82 4.890 -2.552 2.351 604 1HG GLU 82 2HG GLU 82 5.280 -0.807 0.238 605 2HG GLU 82 1HG GLU 82 6.289 -0.117 1.509 606 H MET 83 H MET 83 1.931 -3.262 1.811 607 HA MET 83 HA MET 83 1.041 -2.984 4.601 608 1HB MET 83 2HB MET 83 -1.356 -2.791 3.914 609 2HB MET 83 1HB MET 83 -0.401 -1.395 3.417 610 1HG MET 83 2HG MET 83 -0.214 -3.357 1.350 611 2HG MET 83 1HG MET 83 -1.918 -3.172 1.768 612 1HE MET 83 1HE MET 83 -3.018 -1.328 2.181 613 2HE MET 83 2HE MET 83 -3.274 -0.431 0.687 614 3HE MET 83 3HE MET 83 -2.488 0.355 2.054 615 H GLU 84 H GLU 84 0.534 -5.022 5.390 616 HA GLU 84 HA GLU 84 0.447 -7.245 3.441 617 1HB GLU 84 2HB GLU 84 0.961 -8.509 5.651 618 2HB GLU 84 1HB GLU 84 2.233 -7.508 4.960 619 1HG GLU 84 2HG GLU 84 1.901 -5.791 6.538 620 2HG GLU 84 1HG GLU 84 0.288 -6.368 6.959 621 HA PRO 85 HA PRO 85 -3.835 -6.918 5.206 622 1HB PRO 85 2HB PRO 85 -5.135 -7.135 2.807 623 2HB PRO 85 1HB PRO 85 -4.588 -5.581 3.470 624 1HG PRO 85 2HG PRO 85 -3.341 -7.289 1.375 625 2HG PRO 85 1HG PRO 85 -3.474 -5.526 1.460 626 1HD PRO 85 2HD PRO 85 -1.195 -6.887 2.074 627 2HD PRO 85 1HD PRO 85 -1.625 -5.318 2.792 628 HA PRO 86 HA PRO 86 -4.535 -11.251 4.979 629 1HB PRO 86 2HB PRO 86 -7.264 -11.442 4.906 630 2HB PRO 86 1HB PRO 86 -6.370 -10.963 6.362 631 1HG PRO 86 2HG PRO 86 -7.823 -9.268 4.394 632 2HG PRO 86 1HG PRO 86 -7.720 -9.117 6.154 633 1HD PRO 86 2HD PRO 86 -6.270 -7.583 4.429 634 2HD PRO 86 1HD PRO 86 -5.731 -7.988 6.074 635 H PHE 87 H PHE 87 -4.547 -12.776 3.332 636 HA PHE 87 HA PHE 87 -4.719 -12.072 0.603 637 1HB PHE 87 2HB PHE 87 -5.327 -14.725 0.578 638 2HB PHE 87 1HB PHE 87 -3.700 -14.111 0.866 639 HD1 PHE 87 1HD PHE 87 -6.851 -15.094 2.617 640 HD2 PHE 87 2HD PHE 87 -2.607 -14.513 2.912 641 HE1 PHE 87 1HE PHE 87 -6.875 -16.075 4.892 642 HE2 PHE 87 2HE PHE 87 -2.628 -15.494 5.187 643 HZ PHE 87 HZ PHE 87 -4.764 -16.278 6.179 644 H GLY 88 H GLY 88 -6.568 -11.026 -0.122 645 1HA GLY 88 2HA GLY 88 -8.815 -12.254 -1.036 646 2HA GLY 88 1HA GLY 88 -9.235 -11.987 0.656 647 H ASP 89 H ASP 89 -10.934 -10.628 -0.641 648 HA ASP 89 HA ASP 89 -10.108 -8.130 -1.827 649 1HB ASP 89 2HB ASP 89 -12.558 -7.628 -1.540 650 2HB ASP 89 1HB ASP 89 -12.249 -9.188 -2.303 651 H SER 90 H SER 90 -10.008 -6.057 -0.872 652 HA SER 90 HA SER 90 -10.491 -5.851 2.067 653 1HB SER 90 2HB SER 90 -8.281 -5.376 2.521 654 2HB SER 90 1HB SER 90 -8.035 -6.394 1.104 655 HG SER 90 HG SER 90 -7.583 -4.665 -0.075 656 H TYR 91 H TYR 91 -11.243 -3.803 2.661 657 HA TYR 91 HA TYR 91 -11.739 -1.875 0.452 658 1HB TYR 91 2HB TYR 91 -13.015 -2.755 2.927 659 2HB TYR 91 1HB TYR 91 -12.930 -0.996 2.830 660 HD1 TYR 91 1HD TYR 91 -15.095 -0.295 2.231 661 HD2 TYR 91 2HD TYR 91 -13.240 -3.526 0.095 662 HE1 TYR 91 1HE TYR 91 -16.962 -0.290 0.601 663 HE2 TYR 91 2HE TYR 91 -15.107 -3.522 -1.536 664 HH TYR 91 HH TYR 91 -17.465 -2.812 -1.628 665 H ILE 92 H ILE 92 -10.278 -0.215 0.250 666 HA ILE 92 HA ILE 92 -8.794 0.639 2.714 667 HB ILE 92 HB ILE 92 -7.514 -0.428 0.842 668 1HG1 ILE 92 2HG1 ILE 92 -7.032 2.489 1.496 669 2HG1 ILE 92 1HG1 ILE 92 -6.266 1.075 2.220 670 1HG2 ILE 92 1HG2 ILE 92 -7.376 0.604 -1.302 671 2HG2 ILE 92 2HG2 ILE 92 -8.179 2.067 -0.734 672 3HG2 ILE 92 3HG2 ILE 92 -9.097 0.572 -0.918 673 1HD1 ILE 92 1HD1 ILE 92 -5.338 0.547 -0.095 674 2HD1 ILE 92 2HD1 ILE 92 -4.667 1.980 0.686 675 3HD1 ILE 92 3HD1 ILE 92 -5.883 2.153 -0.580 676 H VAL 93 H VAL 93 -9.086 2.760 3.355 677 HA VAL 93 HA VAL 93 -10.450 4.614 1.425 678 HB VAL 93 HB VAL 93 -10.630 4.468 4.453 679 1HG1 VAL 93 1HG1 VAL 93 -11.206 6.571 2.687 680 2HG1 VAL 93 2HG1 VAL 93 -11.750 6.422 4.358 681 3HG1 VAL 93 3HG1 VAL 93 -12.770 5.837 3.044 682 1HG2 VAL 93 1HG2 VAL 93 -12.843 3.806 2.522 683 2HG2 VAL 93 2HG2 VAL 93 -12.658 3.311 4.204 684 3HG2 VAL 93 3HG2 VAL 93 -11.655 2.577 2.953 685 H VAL 94 H VAL 94 -9.113 6.276 0.843 686 HA VAL 94 HA VAL 94 -6.923 7.073 2.723 687 HB VAL 94 HB VAL 94 -7.295 7.473 -0.264 688 1HG1 VAL 94 1HG1 VAL 94 -4.635 7.749 0.223 689 2HG1 VAL 94 2HG1 VAL 94 -5.300 8.414 1.716 690 3HG1 VAL 94 3HG1 VAL 94 -5.758 9.109 0.161 691 1HG2 VAL 94 1HG2 VAL 94 -5.165 5.820 0.002 692 2HG2 VAL 94 2HG2 VAL 94 -6.815 5.232 -0.208 693 3HG2 VAL 94 3HG2 VAL 94 -6.109 5.320 1.406 694 H GLY 95 H GLY 95 -7.954 8.677 3.981 695 1HA GLY 95 2HA GLY 95 -8.550 11.193 2.571 696 2HA GLY 95 1HA GLY 95 -9.898 10.491 3.464 697 H MET 96 H MET 96 -8.756 13.009 4.126 698 HA MET 96 HA MET 96 -7.349 12.394 6.702 699 1HB MET 96 2HB MET 96 -6.184 13.731 4.886 700 2HB MET 96 1HB MET 96 -7.407 14.980 5.121 701 1HG MET 96 2HG MET 96 -6.659 14.583 7.691 702 2HG MET 96 1HG MET 96 -5.145 14.195 6.876 703 1HE MET 96 1HE MET 96 -5.100 15.389 4.518 704 2HE MET 96 2HE MET 96 -4.552 17.062 4.556 705 3HE MET 96 3HE MET 96 -6.240 16.703 4.204 706 H GLY 97 H GLY 97 -9.773 14.545 5.186 707 1HA GLY 97 2HA GLY 97 -10.915 14.990 7.917 708 2HA GLY 97 1HA GLY 97 -11.016 16.175 6.614 709 H ASP 98 H ASP 98 -12.922 16.203 5.546 710 HA ASP 98 HA ASP 98 -14.848 14.002 5.941 711 1HB ASP 98 2HB ASP 98 -14.872 16.769 4.727 712 2HB ASP 98 1HB ASP 98 -16.266 15.696 4.602 713 H LYS 99 H LYS 99 -12.961 15.449 3.299 714 HA LYS 99 HA LYS 99 -14.224 13.828 1.239 715 1HB LYS 99 2HB LYS 99 -11.729 15.548 1.347 716 2HB LYS 99 1HB LYS 99 -12.382 14.846 -0.134 717 1HG LYS 99 2HG LYS 99 -14.166 16.485 1.646 718 2HG LYS 99 1HG LYS 99 -13.061 17.292 0.531 719 1HD LYS 99 2HD LYS 99 -14.959 15.107 -0.352 720 2HD LYS 99 1HD LYS 99 -15.394 16.817 -0.384 721 1HE LYS 99 2HE LYS 99 -12.788 16.463 -1.587 722 2HE LYS 99 1HE LYS 99 -13.974 15.406 -2.378 723 1HZ LYS 99 1HZ LYS 99 -15.508 17.362 -2.377 724 2HZ LYS 99 2HZ LYS 99 -14.158 17.528 -3.396 725 3HZ LYS 99 3HZ LYS 99 -14.198 18.327 -1.897 726 H GLN 100 H GLN 100 -13.796 11.655 1.105 727 HA GLN 100 HA GLN 100 -10.967 10.760 1.443 728 1HB GLN 100 2HB GLN 100 -12.040 8.762 2.697 729 2HB GLN 100 1HB GLN 100 -11.925 10.294 3.561 730 1HG GLN 100 2HG GLN 100 -14.159 9.432 3.892 731 2HG GLN 100 1HG GLN 100 -14.274 10.809 2.793 732 1HE2 GLN 100 1HE2 GLN 100 -15.270 10.426 0.804 733 2HE2 GLN 100 2HE2 GLN 100 -15.572 8.888 0.158 734 H ILE 101 H ILE 101 -10.466 8.883 0.192 735 HA ILE 101 HA ILE 101 -12.504 8.205 -1.894 736 HB ILE 101 HB ILE 101 -9.470 8.184 -1.850 737 1HG1 ILE 101 2HG1 ILE 101 -10.091 9.788 -3.875 738 2HG1 ILE 101 1HG1 ILE 101 -11.598 9.968 -2.977 739 1HG2 ILE 101 1HG2 ILE 101 -11.449 6.946 -3.692 740 2HG2 ILE 101 2HG2 ILE 101 -9.786 6.474 -3.346 741 3HG2 ILE 101 3HG2 ILE 101 -10.111 7.812 -4.448 742 1HD1 ILE 101 1HD1 ILE 101 -10.400 10.700 -0.999 743 2HD1 ILE 101 2HD1 ILE 101 -9.858 11.675 -2.365 744 3HD1 ILE 101 3HD1 ILE 101 -8.848 10.361 -1.765 745 H ASN 102 H ASN 102 -13.490 6.317 -1.177 746 HA ASN 102 HA ASN 102 -11.847 4.219 0.135 747 1HB ASN 102 2HB ASN 102 -14.138 3.220 0.483 748 2HB ASN 102 1HB ASN 102 -13.960 4.842 1.152 749 1HD2 ASN 102 1HD2 ASN 102 -15.586 6.282 0.562 750 2HD2 ASN 102 2HD2 ASN 102 -16.568 6.133 -0.814 751 H HIS 103 H HIS 103 -11.160 2.440 -0.975 752 HA HIS 103 HA HIS 103 -12.319 1.932 -3.694 753 1HB HIS 103 2HB HIS 103 -9.608 2.079 -2.545 754 2HB HIS 103 1HB HIS 103 -9.869 0.671 -3.576 755 HD1 HIS 103 1HD HIS 103 -11.610 3.963 -4.151 756 HD2 HIS 103 2HD HIS 103 -8.512 1.729 -5.821 757 HE1 HIS 103 1HE HIS 103 -11.021 5.083 -6.344 758 H HIS 104 H HIS 104 -12.405 -0.389 -4.302 759 HA HIS 104 HA HIS 104 -12.711 -2.179 -1.912 760 1HB HIS 104 2HB HIS 104 -14.477 -3.264 -3.438 761 2HB HIS 104 1HB HIS 104 -14.867 -1.668 -2.794 762 HD1 HIS 104 1HD HIS 104 -14.213 -3.486 -5.959 763 HD2 HIS 104 2HD HIS 104 -14.571 0.482 -4.731 764 HE1 HIS 104 1HE HIS 104 -14.474 -2.104 -8.065 765 H TRP 105 H TRP 105 -10.489 -2.948 -2.250 766 HA TRP 105 HA TRP 105 -9.431 -3.961 -4.674 767 1HB TRP 105 2HB TRP 105 -8.016 -3.612 -2.787 768 2HB TRP 105 1HB TRP 105 -9.040 -4.600 -1.744 769 HD1 TRP 105 HD TRP 105 -7.724 -6.699 -1.176 770 HE1 TRP 105 1HE TRP 105 -6.355 -8.433 -2.503 771 HE3 TRP 105 3HE TRP 105 -7.830 -4.548 -5.806 772 HZ2 TRP 105 2HZ TRP 105 -5.427 -8.853 -5.178 773 HZ3 TRP 105 3HZ TRP 105 -6.698 -5.635 -7.724 774 HH2 TRP 105 HH TRP 105 -5.497 -7.782 -7.415 775 H HIS 106 H HIS 106 -11.038 -5.211 -5.795 776 HA HIS 106 HA HIS 106 -11.528 -7.912 -4.598 777 1HB HIS 106 2HB HIS 106 -13.390 -5.886 -4.774 778 2HB HIS 106 1HB HIS 106 -13.688 -6.792 -6.258 779 HD1 HIS 106 1HD HIS 106 -14.277 -9.363 -5.978 780 HD2 HIS 106 2HD HIS 106 -14.199 -7.189 -2.423 781 HE1 HIS 106 1HE HIS 106 -15.425 -10.798 -4.236 782 H LYS 107 H LYS 107 -11.194 -9.564 -6.070 783 HA LYS 107 HA LYS 107 -10.547 -8.775 -8.880 784 1HB LYS 107 2HB LYS 107 -9.598 -10.743 -6.888 785 2HB LYS 107 1HB LYS 107 -9.725 -11.370 -8.532 786 1HG LYS 107 2HG LYS 107 -8.514 -9.125 -9.177 787 2HG LYS 107 1HG LYS 107 -8.009 -9.139 -7.487 788 1HD LYS 107 2HD LYS 107 -7.685 -11.589 -9.211 789 2HD LYS 107 1HD LYS 107 -6.473 -10.307 -9.226 790 1HE LYS 107 2HE LYS 107 -5.630 -10.993 -7.235 791 2HE LYS 107 1HE LYS 107 -7.245 -11.013 -6.498 792 1HZ LYS 107 1HZ LYS 107 -6.717 -13.058 -8.497 793 2HZ LYS 107 2HZ LYS 107 -7.575 -13.165 -7.035 794 3HZ LYS 107 3HZ LYS 107 -5.878 -13.231 -7.034 795 H ALA 108 H ALA 108 -13.007 -10.205 -7.035 796 HA ALA 108 HA ALA 108 -14.321 -11.226 -9.490 797 1HB ALA 108 1HB ALA 108 -14.646 -13.199 -7.448 798 2HB ALA 108 2HB ALA 108 -12.924 -12.845 -7.581 799 3HB ALA 108 3HB ALA 108 -13.827 -13.374 -9.001 800 H GLY 109 H GLY 109 -16.313 -10.267 -9.375 801 1HA GLY 109 2HA GLY 109 -17.836 -10.468 -6.840 802 2HA GLY 109 1HA GLY 109 -17.601 -8.854 -7.513 803 H SER 110 H SER 110 -20.082 -10.570 -7.198 804 HA SER 110 HA SER 110 -21.243 -9.938 -9.811 805 1HB SER 110 2HB SER 110 -20.866 -11.963 -10.741 806 2HB SER 110 1HB SER 110 -20.044 -12.491 -9.275 807 HG SER 110 HG SER 110 -21.725 -13.676 -8.896 808 H THR 111 H THR 111 -23.607 -11.017 -9.801 809 HA THR 111 HA THR 111 -24.696 -11.035 -7.016 810 HB THR 111 HB THR 111 -26.562 -9.617 -8.468 811 HG1 THR 111 1HG THR 111 -24.132 -8.431 -9.169 812 1HG2 THR 111 1HG2 THR 111 -24.316 -8.107 -7.205 813 2HG2 THR 111 2HG2 THR 111 -25.223 -9.236 -6.200 814 3HG2 THR 111 3HG2 THR 111 -26.057 -7.906 -7.004 Start of MODEL 6 1 1H ASP 1 1HT ASP 1 11.322 -4.837 20.448 2 2H ASP 1 2HT ASP 1 12.706 -4.535 19.511 3 3H ASP 1 3HT ASP 1 11.439 -5.474 18.881 4 HA ASP 1 HA ASP 1 10.114 -3.676 18.434 5 1HB ASP 1 2HB ASP 1 10.202 -1.676 19.853 6 2HB ASP 1 1HB ASP 1 10.151 -3.118 20.869 7 H LYS 2 H LYS 2 10.559 -1.521 17.311 8 HA LYS 2 HA LYS 2 13.376 -1.472 16.276 9 1HB LYS 2 2HB LYS 2 11.256 -2.154 14.864 10 2HB LYS 2 1HB LYS 2 10.979 -0.412 14.803 11 1HG LYS 2 2HG LYS 2 12.739 -0.054 13.408 12 2HG LYS 2 1HG LYS 2 13.759 -1.227 14.241 13 1HD LYS 2 2HD LYS 2 11.438 -2.122 12.535 14 2HD LYS 2 1HD LYS 2 13.017 -1.788 11.823 15 1HE LYS 2 2HE LYS 2 12.564 -3.715 14.131 16 2HE LYS 2 1HE LYS 2 12.757 -4.201 12.435 17 1HZ LYS 2 1HZ LYS 2 14.925 -4.238 13.163 18 2HZ LYS 2 2HZ LYS 2 14.712 -2.937 14.235 19 3HZ LYS 2 3HZ LYS 2 14.820 -2.655 12.564 20 H LEU 3 H LEU 3 14.008 0.763 15.452 21 HA LEU 3 HA LEU 3 13.568 2.756 17.514 22 1HB LEU 3 2HB LEU 3 15.216 2.278 15.148 23 2HB LEU 3 1HB LEU 3 14.739 3.971 15.287 24 HG LEU 3 HG LEU 3 16.858 3.508 16.495 25 1HD1 LEU 3 1HD1 LEU 3 14.827 3.969 18.645 26 2HD1 LEU 3 2HD1 LEU 3 14.881 5.101 17.293 27 3HD1 LEU 3 3HD1 LEU 3 16.311 4.858 18.297 28 1HD2 LEU 3 1HD2 LEU 3 15.117 1.409 17.711 29 2HD2 LEU 3 2HD2 LEU 3 16.292 2.196 18.765 30 3HD2 LEU 3 3HD2 LEU 3 16.834 1.351 17.315 31 H ALA 4 H ALA 4 11.801 4.082 17.610 32 HA ALA 4 HA ALA 4 10.018 4.372 15.283 33 1HB ALA 4 1HB ALA 4 8.614 4.410 17.056 34 2HB ALA 4 2HB ALA 4 9.213 6.030 17.413 35 3HB ALA 4 3HB ALA 4 9.960 4.626 18.176 36 H LEU 5 H LEU 5 9.340 6.565 14.559 37 HA LEU 5 HA LEU 5 11.664 8.426 14.475 38 1HB LEU 5 2HB LEU 5 9.254 7.796 12.813 39 2HB LEU 5 1HB LEU 5 9.950 9.412 12.684 40 HG LEU 5 HG LEU 5 11.881 7.159 12.613 41 1HD1 LEU 5 1HD1 LEU 5 9.918 7.730 10.374 42 2HD1 LEU 5 2HD1 LEU 5 10.142 6.200 11.223 43 3HD1 LEU 5 3HD1 LEU 5 11.412 6.816 10.165 44 1HD2 LEU 5 1HD2 LEU 5 12.953 8.607 10.974 45 2HD2 LEU 5 2HD2 LEU 5 12.465 9.587 12.357 46 3HD2 LEU 5 3HD2 LEU 5 11.511 9.618 10.874 47 H LYS 6 H LYS 6 10.979 8.974 16.845 48 HA LYS 6 HA LYS 6 8.672 10.875 16.903 49 1HB LYS 6 2HB LYS 6 9.412 8.794 18.534 50 2HB LYS 6 1HB LYS 6 10.106 10.173 19.388 51 1HG LYS 6 2HG LYS 6 8.061 10.656 20.189 52 2HG LYS 6 1HG LYS 6 7.528 10.977 18.539 53 1HD LYS 6 2HD LYS 6 6.478 8.958 18.342 54 2HD LYS 6 1HD LYS 6 7.700 8.116 19.294 55 1HE LYS 6 2HE LYS 6 6.714 8.750 21.348 56 2HE LYS 6 1HE LYS 6 5.782 10.059 20.594 57 1HZ LYS 6 1HZ LYS 6 5.455 7.172 19.970 58 2HZ LYS 6 2HZ LYS 6 4.528 8.451 19.346 59 3HZ LYS 6 3HZ LYS 6 4.430 8.053 20.995 60 H GLY 7 H GLY 7 9.024 12.945 18.043 61 1HA GLY 7 2HA GLY 7 11.053 14.225 19.150 62 2HA GLY 7 1HA GLY 7 11.762 13.994 17.550 63 H THR 8 H THR 8 9.261 14.304 16.106 64 HA THR 8 HA THR 8 8.689 17.207 16.615 65 HB THR 8 HB THR 8 10.210 16.985 14.745 66 HG1 THR 8 1HG THR 8 8.673 18.444 14.237 67 1HG2 THR 8 1HG2 THR 8 8.888 15.490 12.810 68 2HG2 THR 8 2HG2 THR 8 8.640 14.566 14.291 69 3HG2 THR 8 3HG2 THR 8 10.276 14.957 13.760 70 H THR 9 H THR 9 6.548 17.281 17.218 71 HA THR 9 HA THR 9 4.643 15.272 16.147 72 HB THR 9 HB THR 9 3.161 16.536 17.859 73 HG1 THR 9 1HG THR 9 5.621 17.417 18.869 74 1HG2 THR 9 1HG2 THR 9 5.081 15.588 19.664 75 2HG2 THR 9 2HG2 THR 9 5.338 14.643 18.196 76 3HG2 THR 9 3HG2 THR 9 3.751 14.665 18.965 77 H TYR 10 H TYR 10 4.170 15.950 14.024 78 HA TYR 10 HA TYR 10 3.245 18.769 13.648 79 1HB TYR 10 2HB TYR 10 4.763 16.805 12.141 80 2HB TYR 10 1HB TYR 10 3.398 17.395 11.194 81 HD1 TYR 10 1HD TYR 10 3.102 20.152 12.229 82 HD2 TYR 10 2HD TYR 10 6.637 17.922 11.237 83 HE1 TYR 10 1HE TYR 10 4.316 22.270 11.793 84 HE2 TYR 10 2HE TYR 10 7.851 20.040 10.802 85 HH TYR 10 HH TYR 10 6.655 23.071 11.753 86 H GLY 11 H GLY 11 1.386 18.872 11.930 87 1HA GLY 11 2HA GLY 11 -0.784 17.135 12.909 88 2HA GLY 11 1HA GLY 11 -0.975 18.534 11.851 89 H MET 12 H MET 12 -1.753 15.525 11.704 90 HA MET 12 HA MET 12 -0.351 14.570 9.314 91 1HB MET 12 2HB MET 12 -1.900 12.687 9.575 92 2HB MET 12 1HB MET 12 -1.247 13.132 11.152 93 1HG MET 12 2HG MET 12 -3.367 14.696 11.256 94 2HG MET 12 1HG MET 12 -4.002 13.578 10.050 95 1HE MET 12 1HE MET 12 -5.844 11.496 12.024 96 2HE MET 12 2HE MET 12 -4.700 10.720 10.930 97 3HE MET 12 3HE MET 12 -5.390 12.285 10.507 98 H CYS 13 H CYS 13 -0.847 15.402 7.319 99 HA CYS 13 HA CYS 13 -3.699 15.777 6.599 100 1HB CYS 13 2HB CYS 13 -3.448 18.080 6.095 101 2HB CYS 13 1HB CYS 13 -2.607 17.885 7.628 102 H THR 14 H THR 14 -3.722 14.375 4.845 103 HA THR 14 HA THR 14 -2.097 15.084 2.502 104 HB THR 14 HB THR 14 -1.751 12.253 3.280 105 HG1 THR 14 1HG THR 14 0.109 13.336 4.627 106 1HG2 THR 14 1HG2 THR 14 0.683 13.652 2.832 107 2HG2 THR 14 2HG2 THR 14 -0.494 14.262 1.669 108 3HG2 THR 14 3HG2 THR 14 -0.140 12.536 1.742 109 H GLU 15 H GLU 15 -4.853 15.123 2.674 110 HA GLU 15 HA GLU 15 -6.015 12.578 1.821 111 1HB GLU 15 2HB GLU 15 -8.017 14.078 1.480 112 2HB GLU 15 1HB GLU 15 -7.309 14.195 3.091 113 1HG GLU 15 2HG GLU 15 -6.524 16.323 2.744 114 2HG GLU 15 1HG GLU 15 -6.233 16.046 1.025 115 H LYS 16 H LYS 16 -3.853 14.342 0.243 116 HA LYS 16 HA LYS 16 -5.277 14.464 -2.374 117 1HB LYS 16 2HB LYS 16 -2.588 15.480 -1.395 118 2HB LYS 16 1HB LYS 16 -3.242 15.767 -3.008 119 1HG LYS 16 2HG LYS 16 -4.095 17.658 -2.071 120 2HG LYS 16 1HG LYS 16 -5.337 16.569 -1.452 121 1HD LYS 16 2HD LYS 16 -4.280 16.384 0.664 122 2HD LYS 16 1HD LYS 16 -2.767 17.057 0.055 123 1HE LYS 16 2HE LYS 16 -3.825 19.252 -0.247 124 2HE LYS 16 1HE LYS 16 -5.383 18.591 0.287 125 1HZ LYS 16 1HZ LYS 16 -4.672 18.357 2.419 126 2HZ LYS 16 2HZ LYS 16 -3.696 19.680 1.985 127 3HZ LYS 16 3HZ LYS 16 -3.052 18.108 1.982 128 H PHE 17 H PHE 17 -5.027 11.866 -1.912 129 HA PHE 17 HA PHE 17 -2.389 10.927 -2.942 130 1HB PHE 17 2HB PHE 17 -4.346 10.026 -1.056 131 2HB PHE 17 1HB PHE 17 -4.240 8.824 -2.344 132 HD1 PHE 17 1HD PHE 17 -1.482 11.076 -1.312 133 HD2 PHE 17 2HD PHE 17 -3.085 7.096 -1.131 134 HE1 PHE 17 1HE PHE 17 0.662 10.255 -0.372 135 HE2 PHE 17 2HE PHE 17 -0.941 6.275 -0.192 136 HZ PHE 17 HZ PHE 17 0.933 7.855 0.187 137 H SER 18 H SER 18 -2.258 9.805 -4.929 138 HA SER 18 HA SER 18 -4.804 9.673 -6.524 139 1HB SER 18 2HB SER 18 -3.457 11.552 -7.246 140 2HB SER 18 1HB SER 18 -2.006 10.555 -7.294 141 HG SER 18 HG SER 18 -3.515 11.013 -9.286 142 H PHE 19 H PHE 19 -5.119 7.419 -6.380 143 HA PHE 19 HA PHE 19 -3.106 5.425 -6.424 144 1HB PHE 19 2HB PHE 19 -5.113 4.044 -7.303 145 2HB PHE 19 1HB PHE 19 -5.290 4.829 -5.740 146 HD1 PHE 19 1HD PHE 19 -6.148 5.057 -9.348 147 HD2 PHE 19 2HD PHE 19 -6.881 6.596 -5.404 148 HE1 PHE 19 1HE PHE 19 -8.125 6.290 -10.195 149 HE2 PHE 19 2HE PHE 19 -8.857 7.828 -6.253 150 HZ PHE 19 HZ PHE 19 -9.480 7.675 -8.648 151 H ALA 20 H ALA 20 -1.583 5.389 -8.048 152 HA ALA 20 HA ALA 20 -2.397 5.923 -10.853 153 1HB ALA 20 1HB ALA 20 -0.348 6.881 -9.635 154 2HB ALA 20 2HB ALA 20 -0.042 6.153 -11.212 155 3HB ALA 20 3HB ALA 20 0.339 5.260 -9.740 156 H LYS 21 H LYS 21 -1.554 3.284 -8.722 157 HA LYS 21 HA LYS 21 -1.970 1.381 -10.986 158 1HB LYS 21 2HB LYS 21 0.256 1.109 -8.953 159 2HB LYS 21 1HB LYS 21 0.063 0.231 -10.471 160 1HG LYS 21 2HG LYS 21 0.161 2.614 -11.558 161 2HG LYS 21 1HG LYS 21 0.914 3.082 -10.034 162 1HD LYS 21 2HD LYS 21 2.493 1.087 -10.387 163 2HD LYS 21 1HD LYS 21 1.883 1.042 -12.041 164 1HE LYS 21 2HE LYS 21 2.504 3.762 -11.481 165 2HE LYS 21 1HE LYS 21 3.887 2.787 -10.945 166 1HZ LYS 21 1HZ LYS 21 3.459 1.512 -13.131 167 2HZ LYS 21 2HZ LYS 21 4.284 2.995 -13.199 168 3HZ LYS 21 3HZ LYS 21 2.638 2.915 -13.613 169 H ASN 22 H ASN 22 -3.013 -0.528 -10.328 170 HA ASN 22 HA ASN 22 -4.486 -0.506 -7.859 171 1HB ASN 22 2HB ASN 22 -5.290 -2.634 -8.663 172 2HB ASN 22 1HB ASN 22 -5.040 -1.615 -10.081 173 1HD2 ASN 22 1HD2 ASN 22 -4.998 -4.387 -10.461 174 2HD2 ASN 22 2HD2 ASN 22 -3.410 -4.903 -10.770 175 HA PRO 23 HA PRO 23 -1.705 -2.463 -5.089 176 1HB PRO 23 2HB PRO 23 -3.389 -4.055 -3.631 177 2HB PRO 23 1HB PRO 23 -3.350 -2.288 -3.469 178 1HG PRO 23 2HG PRO 23 -5.271 -4.011 -4.948 179 2HG PRO 23 1HG PRO 23 -5.564 -2.534 -4.017 180 1HD PRO 23 2HD PRO 23 -5.442 -2.611 -6.748 181 2HD PRO 23 1HD PRO 23 -5.062 -1.170 -5.780 182 H ALA 24 H ALA 24 -0.342 -4.235 -5.248 183 HA ALA 24 HA ALA 24 -1.445 -6.770 -6.398 184 1HB ALA 24 1HB ALA 24 -0.336 -5.257 -8.093 185 2HB ALA 24 2HB ALA 24 0.424 -6.840 -7.942 186 3HB ALA 24 3HB ALA 24 1.163 -5.432 -7.181 187 H ASP 25 H ASP 25 -0.151 -8.663 -5.833 188 HA ASP 25 HA ASP 25 1.129 -8.419 -3.192 189 1HB ASP 25 2HB ASP 25 -0.519 -10.205 -3.980 190 2HB ASP 25 1HB ASP 25 0.792 -10.851 -4.968 191 H THR 26 H THR 26 3.331 -8.956 -2.781 192 HA THR 26 HA THR 26 5.086 -9.035 -5.215 193 HB THR 26 HB THR 26 6.600 -8.169 -3.049 194 HG1 THR 26 1HG THR 26 4.037 -6.964 -2.952 195 1HG2 THR 26 1HG2 THR 26 5.779 -5.832 -4.166 196 2HG2 THR 26 2HG2 THR 26 5.285 -6.974 -5.415 197 3HG2 THR 26 3HG2 THR 26 6.971 -6.900 -4.905 198 H GLY 27 H GLY 27 3.987 -10.841 -2.592 199 1HA GLY 27 2HA GLY 27 5.819 -13.003 -3.092 200 2HA GLY 27 1HA GLY 27 6.248 -12.177 -1.592 201 H HIS 28 H HIS 28 5.097 -12.687 0.233 202 HA HIS 28 HA HIS 28 2.514 -14.168 -0.116 203 1HB HIS 28 2HB HIS 28 5.048 -15.115 0.795 204 2HB HIS 28 1HB HIS 28 3.967 -15.076 2.188 205 HD1 HIS 28 1HD HIS 28 4.732 -17.010 -0.826 206 HD2 HIS 28 2HD HIS 28 1.441 -16.549 1.690 207 HE1 HIS 28 1HE HIS 28 3.184 -18.957 -1.306 208 H GLY 29 H GLY 29 1.413 -12.174 0.478 209 1HA GLY 29 2HA GLY 29 0.168 -11.230 2.330 210 2HA GLY 29 1HA GLY 29 1.496 -11.668 3.406 211 H THR 30 H THR 30 2.003 -10.083 0.304 212 HA THR 30 HA THR 30 2.615 -7.524 1.736 213 HB THR 30 HB THR 30 4.717 -8.620 1.533 214 HG1 THR 30 1HG THR 30 4.421 -7.075 -0.825 215 1HG2 THR 30 1HG2 THR 30 3.506 -9.646 -0.978 216 2HG2 THR 30 2HG2 THR 30 4.541 -10.467 0.190 217 3HG2 THR 30 3HG2 THR 30 5.248 -9.379 -1.003 218 H VAL 31 H VAL 31 1.092 -6.186 0.781 219 HA VAL 31 HA VAL 31 0.560 -6.415 -2.116 220 HB VAL 31 HB VAL 31 -0.707 -4.675 0.016 221 1HG1 VAL 31 1HG1 VAL 31 -1.615 -3.784 -1.877 222 2HG1 VAL 31 2HG1 VAL 31 -2.625 -5.229 -1.843 223 3HG1 VAL 31 3HG1 VAL 31 -1.185 -5.185 -2.859 224 1HG2 VAL 31 1HG2 VAL 31 -2.368 -6.410 0.283 225 2HG2 VAL 31 2HG2 VAL 31 -0.786 -7.159 0.493 226 3HG2 VAL 31 3HG2 VAL 31 -1.661 -7.358 -1.025 227 H VAL 32 H VAL 32 1.002 -4.679 -3.554 228 HA VAL 32 HA VAL 32 2.568 -2.398 -2.395 229 HB VAL 32 HB VAL 32 3.466 -2.765 -4.992 230 1HG1 VAL 32 1HG1 VAL 32 4.419 -3.135 -2.269 231 2HG1 VAL 32 2HG1 VAL 32 5.288 -2.541 -3.684 232 3HG1 VAL 32 3HG1 VAL 32 5.182 -4.275 -3.377 233 1HG2 VAL 32 1HG2 VAL 32 2.226 -4.889 -5.165 234 2HG2 VAL 32 2HG2 VAL 32 3.017 -5.476 -3.702 235 3HG2 VAL 32 3HG2 VAL 32 3.964 -5.184 -5.162 236 H ILE 33 H ILE 33 1.967 -0.375 -3.126 237 HA ILE 33 HA ILE 33 0.159 -0.174 -5.499 238 HB ILE 33 HB ILE 33 -1.107 -0.335 -3.317 239 1HG1 ILE 33 2HG1 ILE 33 -1.548 2.462 -4.206 240 2HG1 ILE 33 1HG1 ILE 33 -1.583 1.244 -5.482 241 1HG2 ILE 33 1HG2 ILE 33 0.423 2.230 -2.799 242 2HG2 ILE 33 2HG2 ILE 33 0.462 0.754 -1.834 243 3HG2 ILE 33 3HG2 ILE 33 -1.000 1.739 -1.880 244 1HD1 ILE 33 1HD1 ILE 33 -3.532 1.768 -3.368 245 2HD1 ILE 33 2HD1 ILE 33 -3.047 0.074 -3.427 246 3HD1 ILE 33 3HD1 ILE 33 -3.720 0.850 -4.862 247 H GLU 34 H GLU 34 0.254 1.930 -6.506 248 HA GLU 34 HA GLU 34 2.471 3.692 -5.505 249 1HB GLU 34 2HB GLU 34 2.647 2.091 -7.649 250 2HB GLU 34 1HB GLU 34 1.841 3.460 -8.416 251 1HG GLU 34 2HG GLU 34 3.654 4.840 -8.171 252 2HG GLU 34 1HG GLU 34 4.131 4.111 -6.638 253 H LEU 35 H LEU 35 1.358 5.484 -4.752 254 HA LEU 35 HA LEU 35 -0.712 6.677 -6.575 255 1HB LEU 35 2HB LEU 35 -0.629 7.140 -3.604 256 2HB LEU 35 1HB LEU 35 -2.017 7.164 -4.691 257 HG LEU 35 HG LEU 35 -1.454 4.625 -5.031 258 1HD1 LEU 35 1HD1 LEU 35 0.453 4.116 -3.880 259 2HD1 LEU 35 2HD1 LEU 35 -0.657 3.970 -2.517 260 3HD1 LEU 35 3HD1 LEU 35 0.255 5.461 -2.757 261 1HD2 LEU 35 1HD2 LEU 35 -3.525 5.066 -4.049 262 2HD2 LEU 35 2HD2 LEU 35 -2.812 5.977 -2.718 263 3HD2 LEU 35 3HD2 LEU 35 -2.704 4.217 -2.739 264 H SER 36 H SER 36 -0.404 8.871 -7.046 265 HA SER 36 HA SER 36 2.123 10.064 -6.148 266 1HB SER 36 2HB SER 36 0.261 11.487 -7.965 267 2HB SER 36 1HB SER 36 1.993 11.217 -8.128 268 HG SER 36 HG SER 36 0.128 9.953 -9.385 269 H TYR 37 H TYR 37 2.198 11.699 -4.618 270 HA TYR 37 HA TYR 37 -0.403 12.585 -3.505 271 1HB TYR 37 2HB TYR 37 1.132 11.883 -1.858 272 2HB TYR 37 1HB TYR 37 2.496 12.647 -2.676 273 HD1 TYR 37 1HD TYR 37 -0.880 13.766 -1.450 274 HD2 TYR 37 2HD TYR 37 3.354 14.486 -1.544 275 HE1 TYR 37 1HE TYR 37 -1.197 15.809 -0.081 276 HE2 TYR 37 2HE TYR 37 3.037 16.528 -0.173 277 HH TYR 37 HH TYR 37 1.591 17.802 0.918 278 H SER 38 H SER 38 -1.129 14.145 -5.030 279 HA SER 38 HA SER 38 0.689 16.344 -5.777 280 1HB SER 38 2HB SER 38 -1.028 16.825 -7.422 281 2HB SER 38 1HB SER 38 -0.759 15.085 -7.412 282 HG SER 38 HG SER 38 -2.881 16.586 -6.309 283 H GLY 39 H GLY 39 0.532 16.930 -3.318 284 1HA GLY 39 2HA GLY 39 -1.871 18.666 -2.912 285 2HA GLY 39 1HA GLY 39 -1.047 17.841 -1.588 286 H SER 40 H SER 40 -1.438 20.818 -2.657 287 HA SER 40 HA SER 40 1.358 21.725 -2.802 288 1HB SER 40 2HB SER 40 -1.397 22.856 -3.036 289 2HB SER 40 1HB SER 40 -0.094 23.973 -2.637 290 HG SER 40 HG SER 40 -0.121 23.879 -4.824 291 H ASP 41 H ASP 41 0.093 20.426 -0.285 292 HA ASP 41 HA ASP 41 0.355 22.660 1.661 293 1HB ASP 41 2HB ASP 41 -0.879 19.972 1.504 294 2HB ASP 41 1HB ASP 41 -0.214 20.395 3.081 295 H GLY 42 H GLY 42 2.370 20.465 0.150 296 1HA GLY 42 2HA GLY 42 4.687 20.145 0.615 297 2HA GLY 42 1HA GLY 42 4.428 20.812 2.227 298 HA PRO 43 HA PRO 43 4.833 16.266 2.707 299 1HB PRO 43 2HB PRO 43 6.455 16.407 4.906 300 2HB PRO 43 1HB PRO 43 7.074 16.453 3.243 301 1HG PRO 43 2HG PRO 43 6.643 18.676 5.164 302 2HG PRO 43 1HG PRO 43 7.938 18.441 3.983 303 1HD PRO 43 2HD PRO 43 5.820 20.132 3.605 304 2HD PRO 43 1HD PRO 43 6.729 19.370 2.282 305 H CYS 44 H CYS 44 3.710 14.999 4.267 306 HA CYS 44 HA CYS 44 2.801 16.074 6.819 307 1HB CYS 44 2HB CYS 44 1.478 16.989 4.593 308 2HB CYS 44 1HB CYS 44 0.508 15.584 5.027 309 H LYS 45 H LYS 45 1.393 14.461 7.941 310 HA LYS 45 HA LYS 45 2.121 11.716 7.282 311 1HB LYS 45 2HB LYS 45 0.009 12.666 9.228 312 2HB LYS 45 1HB LYS 45 1.021 11.228 9.346 313 1HG LYS 45 2HG LYS 45 1.902 14.113 9.626 314 2HG LYS 45 1HG LYS 45 1.920 12.864 10.871 315 1HD LYS 45 2HD LYS 45 3.944 12.152 10.199 316 2HD LYS 45 1HD LYS 45 3.368 11.953 8.545 317 1HE LYS 45 2HE LYS 45 4.570 13.766 7.924 318 2HE LYS 45 1HE LYS 45 3.637 14.762 9.058 319 1HZ LYS 45 1HZ LYS 45 5.762 12.959 10.028 320 2HZ LYS 45 2HZ LYS 45 5.101 14.330 10.784 321 3HZ LYS 45 3HZ LYS 45 6.150 14.509 9.459 322 H ILE 46 H ILE 46 0.963 10.356 5.953 323 HA ILE 46 HA ILE 46 -1.587 11.308 4.816 324 HB ILE 46 HB ILE 46 -0.186 8.685 4.285 325 1HG1 ILE 46 2HG1 ILE 46 0.494 11.386 3.077 326 2HG1 ILE 46 1HG1 ILE 46 1.495 10.537 4.254 327 1HG2 ILE 46 1HG2 ILE 46 -2.455 9.314 3.278 328 2HG2 ILE 46 2HG2 ILE 46 -1.194 8.884 2.123 329 3HG2 ILE 46 3HG2 ILE 46 -1.601 10.578 2.394 330 1HD1 ILE 46 1HD1 ILE 46 2.466 9.447 2.542 331 2HD1 ILE 46 2HD1 ILE 46 1.316 10.132 1.395 332 3HD1 ILE 46 3HD1 ILE 46 0.924 8.642 2.252 333 HA PRO 47 HA PRO 47 -3.692 8.834 7.904 334 1HB PRO 47 2HB PRO 47 -6.166 9.883 7.405 335 2HB PRO 47 1HB PRO 47 -4.948 10.714 8.392 336 1HG PRO 47 2HG PRO 47 -5.771 11.214 5.589 337 2HG PRO 47 1HG PRO 47 -5.237 12.354 6.832 338 1HD PRO 47 2HD PRO 47 -3.673 11.423 4.751 339 2HD PRO 47 1HD PRO 47 -3.052 12.127 6.259 340 H ILE 48 H ILE 48 -3.650 6.753 6.961 341 HA ILE 48 HA ILE 48 -5.768 6.209 4.904 342 HB ILE 48 HB ILE 48 -2.926 5.179 5.148 343 1HG1 ILE 48 2HG1 ILE 48 -3.597 6.110 2.549 344 2HG1 ILE 48 1HG1 ILE 48 -4.187 7.318 3.690 345 1HG2 ILE 48 1HG2 ILE 48 -3.666 4.038 2.904 346 2HG2 ILE 48 2HG2 ILE 48 -5.291 4.200 3.570 347 3HG2 ILE 48 3HG2 ILE 48 -4.072 3.266 4.436 348 1HD1 ILE 48 1HD1 ILE 48 -2.084 7.885 4.378 349 2HD1 ILE 48 2HD1 ILE 48 -1.619 7.225 2.811 350 3HD1 ILE 48 3HD1 ILE 48 -1.492 6.230 4.261 351 H VAL 49 H VAL 49 -6.710 4.066 5.060 352 HA VAL 49 HA VAL 49 -6.144 2.627 7.629 353 HB VAL 49 HB VAL 49 -8.168 4.082 7.726 354 1HG1 VAL 49 1HG1 VAL 49 -8.517 3.121 5.090 355 2HG1 VAL 49 2HG1 VAL 49 -9.582 4.210 5.980 356 3HG1 VAL 49 3HG1 VAL 49 -9.858 2.469 6.031 357 1HG2 VAL 49 1HG2 VAL 49 -9.092 2.518 9.064 358 2HG2 VAL 49 2HG2 VAL 49 -7.946 1.356 8.394 359 3HG2 VAL 49 3HG2 VAL 49 -9.547 1.530 7.675 360 H SER 50 H SER 50 -6.270 0.347 7.466 361 HA SER 50 HA SER 50 -6.776 -0.729 4.709 362 1HB SER 50 2HB SER 50 -4.777 -1.566 6.834 363 2HB SER 50 1HB SER 50 -4.986 -2.365 5.278 364 HG SER 50 HG SER 50 -4.015 0.218 5.862 365 H VAL 51 H VAL 51 -8.722 -1.805 4.852 366 HA VAL 51 HA VAL 51 -9.065 -3.707 7.136 367 HB VAL 51 HB VAL 51 -11.448 -2.966 7.205 368 1HG1 VAL 51 1HG1 VAL 51 -9.113 -1.468 7.995 369 2HG1 VAL 51 2HG1 VAL 51 -10.660 -1.621 8.828 370 3HG1 VAL 51 3HG1 VAL 51 -10.431 -0.357 7.619 371 1HG2 VAL 51 1HG2 VAL 51 -11.042 -2.032 4.706 372 2HG2 VAL 51 2HG2 VAL 51 -10.774 -0.542 5.610 373 3HG2 VAL 51 3HG2 VAL 51 -12.308 -1.399 5.758 374 H ALA 52 H ALA 52 -10.617 -5.447 6.625 375 HA ALA 52 HA ALA 52 -10.200 -6.722 4.138 376 1HB ALA 52 1HB ALA 52 -12.750 -7.402 5.322 377 2HB ALA 52 2HB ALA 52 -11.549 -7.147 6.587 378 3HB ALA 52 3HB ALA 52 -11.255 -8.336 5.318 379 H SER 53 H SER 53 -11.903 -7.179 2.459 380 HA SER 53 HA SER 53 -12.936 -4.808 1.276 381 1HB SER 53 2HB SER 53 -13.170 -7.756 0.940 382 2HB SER 53 1HB SER 53 -14.395 -6.776 0.138 383 HG SER 53 HG SER 53 -12.138 -7.278 -0.853 384 H LEU 54 H LEU 54 -14.553 -3.571 2.153 385 HA LEU 54 HA LEU 54 -16.797 -3.096 2.813 386 1HB LEU 54 2HB LEU 54 -16.935 -5.581 1.673 387 2HB LEU 54 1HB LEU 54 -17.468 -5.931 3.319 388 HG LEU 54 HG LEU 54 -18.867 -3.657 2.847 389 1HD1 LEU 54 1HD1 LEU 54 -19.817 -4.347 0.423 390 2HD1 LEU 54 2HD1 LEU 54 -18.141 -4.854 0.218 391 3HD1 LEU 54 3HD1 LEU 54 -18.512 -3.179 0.626 392 1HD2 LEU 54 1HD2 LEU 54 -20.779 -5.074 2.615 393 2HD2 LEU 54 2HD2 LEU 54 -19.623 -5.992 3.579 394 3HD2 LEU 54 3HD2 LEU 54 -19.826 -6.354 1.865 395 H ASN 55 H ASN 55 -14.432 -3.515 4.603 396 HA ASN 55 HA ASN 55 -15.919 -4.184 7.124 397 1HB ASN 55 2HB ASN 55 -13.226 -4.885 6.049 398 2HB ASN 55 1HB ASN 55 -13.345 -4.600 7.785 399 1HD2 ASN 55 1HD2 ASN 55 -12.878 -7.018 7.934 400 2HD2 ASN 55 2HD2 ASN 55 -14.178 -8.098 7.768 401 H ASP 56 H ASP 56 -16.484 -1.867 7.280 402 HA ASP 56 HA ASP 56 -14.185 -0.019 7.734 403 1HB ASP 56 2HB ASP 56 -16.758 0.130 6.520 404 2HB ASP 56 1HB ASP 56 -16.784 1.197 7.925 405 H MET 57 H MET 57 -15.511 -2.184 9.608 406 HA MET 57 HA MET 57 -15.829 -0.341 11.958 407 1HB MET 57 2HB MET 57 -17.927 -1.431 11.083 408 2HB MET 57 1HB MET 57 -17.204 -2.997 11.451 409 1HG MET 57 2HG MET 57 -17.243 -2.614 13.768 410 2HG MET 57 1HG MET 57 -17.374 -0.866 13.571 411 1HE MET 57 1HE MET 57 -20.602 -3.658 14.523 412 2HE MET 57 2HE MET 57 -19.112 -3.142 15.309 413 3HE MET 57 3HE MET 57 -19.039 -4.213 13.911 414 H THR 58 H THR 58 -14.100 -2.929 10.569 415 HA THR 58 HA THR 58 -12.876 -3.563 13.230 416 HB THR 58 HB THR 58 -12.962 -5.712 11.204 417 HG1 THR 58 1HG THR 58 -15.337 -4.946 12.536 418 1HG2 THR 58 1HG2 THR 58 -12.866 -5.352 14.069 419 2HG2 THR 58 2HG2 THR 58 -12.512 -6.797 13.120 420 3HG2 THR 58 3HG2 THR 58 -14.166 -6.464 13.639 421 HA PRO 59 HA PRO 59 -9.384 -2.359 10.684 422 1HB PRO 59 2HB PRO 59 -7.586 -2.283 12.747 423 2HB PRO 59 1HB PRO 59 -8.738 -0.972 12.420 424 1HG PRO 59 2HG PRO 59 -8.864 -3.137 14.457 425 2HG PRO 59 1HG PRO 59 -9.345 -1.439 14.583 426 1HD PRO 59 2HD PRO 59 -11.112 -3.489 14.219 427 2HD PRO 59 1HD PRO 59 -11.410 -1.822 13.679 428 H VAL 60 H VAL 60 -8.176 -3.834 9.550 429 HA VAL 60 HA VAL 60 -6.948 -6.130 10.976 430 HB VAL 60 HB VAL 60 -7.924 -7.559 9.011 431 1HG1 VAL 60 1HG1 VAL 60 -10.201 -6.863 10.713 432 2HG1 VAL 60 2HG1 VAL 60 -8.710 -7.071 11.632 433 3HG1 VAL 60 3HG1 VAL 60 -9.302 -8.377 10.606 434 1HG2 VAL 60 1HG2 VAL 60 -9.490 -6.612 7.679 435 2HG2 VAL 60 2HG2 VAL 60 -8.937 -5.062 8.309 436 3HG2 VAL 60 3HG2 VAL 60 -10.315 -5.873 9.051 437 H GLY 61 H GLY 61 -7.306 -4.232 8.036 438 1HA GLY 61 2HA GLY 61 -5.047 -5.412 6.662 439 2HA GLY 61 1HA GLY 61 -5.834 -3.889 6.233 440 H ARG 62 H ARG 62 -2.897 -4.581 6.546 441 HA ARG 62 HA ARG 62 -2.252 -2.331 8.415 442 1HB ARG 62 2HB ARG 62 -0.718 -4.936 8.272 443 2HB ARG 62 1HB ARG 62 -0.599 -3.679 9.504 444 1HG ARG 62 2HG ARG 62 -3.195 -4.201 9.787 445 2HG ARG 62 1HG ARG 62 -2.712 -5.761 9.119 446 1HD ARG 62 2HD ARG 62 -0.737 -5.392 10.965 447 2HD ARG 62 1HD ARG 62 -2.099 -4.585 11.768 448 HE ARG 62 HE ARG 62 -3.303 -6.851 10.895 449 1HH1 ARG 62 1HH1 ARG 62 -1.062 -6.061 13.272 450 2HH1 ARG 62 2HH1 ARG 62 -0.676 -7.695 13.697 451 1HH2 ARG 62 1HH2 ARG 62 -2.473 -9.082 11.076 452 2HH2 ARG 62 2HH2 ARG 62 -1.475 -9.406 12.454 453 H LEU 63 H LEU 63 -0.174 -1.315 7.934 454 HA LEU 63 HA LEU 63 0.516 -1.441 5.064 455 1HB LEU 63 2HB LEU 63 1.334 0.295 7.414 456 2HB LEU 63 1HB LEU 63 1.947 0.534 5.777 457 HG LEU 63 HG LEU 63 -1.003 0.296 6.048 458 1HD1 LEU 63 1HD1 LEU 63 0.599 2.290 7.507 459 2HD1 LEU 63 2HD1 LEU 63 -1.095 1.843 7.707 460 3HD1 LEU 63 3HD1 LEU 63 -0.630 2.993 6.454 461 1HD2 LEU 63 1HD2 LEU 63 -0.542 2.449 4.514 462 2HD2 LEU 63 2HD2 LEU 63 -0.415 0.809 3.877 463 3HD2 LEU 63 3HD2 LEU 63 1.039 1.680 4.365 464 H VAL 64 H VAL 64 2.500 -2.210 4.283 465 HA VAL 64 HA VAL 64 4.074 -3.914 6.097 466 HB VAL 64 HB VAL 64 4.218 -3.256 3.137 467 1HG1 VAL 64 1HG1 VAL 64 5.780 -5.172 4.872 468 2HG1 VAL 64 2HG1 VAL 64 6.397 -3.990 3.718 469 3HG1 VAL 64 3HG1 VAL 64 5.583 -5.445 3.142 470 1HG2 VAL 64 1HG2 VAL 64 2.504 -4.933 4.708 471 2HG2 VAL 64 2HG2 VAL 64 3.536 -5.966 3.719 472 3HG2 VAL 64 3HG2 VAL 64 2.529 -4.736 2.956 473 H THR 65 H THR 65 4.199 -0.676 4.989 474 HA THR 65 HA THR 65 7.137 -0.508 5.560 475 HB THR 65 HB THR 65 6.172 1.878 4.399 476 HG1 THR 65 1HG THR 65 4.437 1.210 3.434 477 1HG2 THR 65 1HG2 THR 65 7.248 0.474 2.313 478 2HG2 THR 65 2HG2 THR 65 7.899 -0.406 3.696 479 3HG2 THR 65 3HG2 THR 65 8.197 1.324 3.533 480 H VAL 66 H VAL 66 7.669 1.813 6.474 481 HA VAL 66 HA VAL 66 6.558 2.096 9.062 482 HB VAL 66 HB VAL 66 7.746 4.316 8.912 483 1HG1 VAL 66 1HG1 VAL 66 9.083 1.797 7.915 484 2HG1 VAL 66 2HG1 VAL 66 9.082 2.448 9.554 485 3HG1 VAL 66 3HG1 VAL 66 9.992 3.262 8.282 486 1HG2 VAL 66 1HG2 VAL 66 7.103 4.241 6.285 487 2HG2 VAL 66 2HG2 VAL 66 8.744 3.599 6.209 488 3HG2 VAL 66 3HG2 VAL 66 8.452 5.190 6.912 489 H ASN 67 H ASN 67 5.521 4.339 9.731 490 HA ASN 67 HA ASN 67 2.886 4.534 8.858 491 1HB ASN 67 2HB ASN 67 4.849 6.580 9.919 492 2HB ASN 67 1HB ASN 67 3.136 6.947 9.709 493 1HD2 ASN 67 1HD2 ASN 67 3.905 7.095 12.299 494 2HD2 ASN 67 2HD2 ASN 67 3.438 5.722 13.181 495 HA PRO 68 HA PRO 68 3.258 6.205 4.789 496 1HB PRO 68 2HB PRO 68 0.643 6.912 4.426 497 2HB PRO 68 1HB PRO 68 1.203 5.228 4.382 498 1HG PRO 68 2HG PRO 68 -0.204 6.698 6.541 499 2HG PRO 68 1HG PRO 68 -0.329 5.000 6.060 500 1HD PRO 68 2HD PRO 68 1.096 5.925 8.238 501 2HD PRO 68 1HD PRO 68 1.372 4.368 7.429 502 H PHE 69 H PHE 69 4.485 8.076 6.056 503 HA PHE 69 HA PHE 69 2.835 10.565 6.042 504 1HB PHE 69 2HB PHE 69 4.877 11.348 7.403 505 2HB PHE 69 1HB PHE 69 3.815 10.176 8.171 506 HD1 PHE 69 1HD PHE 69 6.989 10.545 6.251 507 HD2 PHE 69 2HD PHE 69 4.611 8.032 8.791 508 HE1 PHE 69 1HE PHE 69 8.899 8.981 6.490 509 HE2 PHE 69 2HE PHE 69 6.520 6.465 9.031 510 HZ PHE 69 HZ PHE 69 8.664 6.941 7.880 511 H VAL 70 H VAL 70 3.278 12.045 4.445 512 HA VAL 70 HA VAL 70 5.464 11.511 2.545 513 HB VAL 70 HB VAL 70 3.289 13.620 2.754 514 1HG1 VAL 70 1HG1 VAL 70 5.623 13.763 1.256 515 2HG1 VAL 70 2HG1 VAL 70 4.129 14.639 0.920 516 3HG1 VAL 70 3HG1 VAL 70 4.449 13.101 0.119 517 1HG2 VAL 70 1HG2 VAL 70 3.422 10.864 1.759 518 2HG2 VAL 70 2HG2 VAL 70 2.830 12.001 0.547 519 3HG2 VAL 70 3HG2 VAL 70 2.011 11.865 2.103 520 H ALA 71 H ALA 71 6.860 12.001 4.738 521 HA ALA 71 HA ALA 71 7.328 14.887 5.149 522 1HB ALA 71 1HB ALA 71 7.924 12.312 6.426 523 2HB ALA 71 2HB ALA 71 7.713 13.901 7.161 524 3HB ALA 71 3HB ALA 71 9.278 13.440 6.490 525 H THR 72 H THR 72 7.866 14.548 2.548 526 HA THR 72 HA THR 72 10.844 14.658 2.426 527 HB THR 72 HB THR 72 9.847 13.349 0.086 528 HG1 THR 72 1HG THR 72 9.243 11.428 1.610 529 1HG2 THR 72 1HG2 THR 72 11.194 11.422 1.338 530 2HG2 THR 72 2HG2 THR 72 11.680 12.766 2.370 531 3HG2 THR 72 3HG2 THR 72 12.022 12.814 0.640 532 H SER 73 H SER 73 11.523 15.575 0.221 533 HA SER 73 HA SER 73 9.675 17.796 -0.496 534 1HB SER 73 2HB SER 73 11.828 18.572 -1.660 535 2HB SER 73 1HB SER 73 11.897 18.459 0.096 536 HG SER 73 HG SER 73 13.676 17.405 -0.674 537 H SER 74 H SER 74 10.423 14.704 -1.577 538 HA SER 74 HA SER 74 9.725 15.418 -4.409 539 1HB SER 74 2HB SER 74 11.113 13.504 -5.036 540 2HB SER 74 1HB SER 74 12.043 14.575 -3.993 541 HG SER 74 HG SER 74 12.317 12.583 -3.138 542 H ALA 75 H ALA 75 8.296 14.287 -1.729 543 HA ALA 75 HA ALA 75 7.120 11.789 -2.698 544 1HB ALA 75 1HB ALA 75 5.779 12.021 -0.641 545 2HB ALA 75 2HB ALA 75 6.344 13.680 -0.457 546 3HB ALA 75 3HB ALA 75 7.481 12.342 -0.307 547 H ASN 76 H ASN 76 6.752 14.789 -3.871 548 HA ASN 76 HA ASN 76 3.833 14.935 -3.966 549 1HB ASN 76 2HB ASN 76 6.202 16.541 -4.842 550 2HB ASN 76 1HB ASN 76 4.658 16.844 -5.639 551 1HD2 ASN 76 1HD2 ASN 76 6.501 17.874 -3.057 552 2HD2 ASN 76 2HD2 ASN 76 5.265 18.458 -2.051 553 H SER 77 H SER 77 5.590 12.697 -5.239 554 HA SER 77 HA SER 77 4.416 12.930 -7.982 555 1HB SER 77 2HB SER 77 7.092 12.047 -6.942 556 2HB SER 77 1HB SER 77 6.486 11.356 -8.443 557 HG SER 77 HG SER 77 6.208 13.526 -9.190 558 H LYS 78 H LYS 78 4.669 10.414 -8.883 559 HA LYS 78 HA LYS 78 2.685 8.905 -7.480 560 1HB LYS 78 2HB LYS 78 3.544 7.094 -9.071 561 2HB LYS 78 1HB LYS 78 3.055 8.605 -9.839 562 1HG LYS 78 2HG LYS 78 5.156 9.039 -10.553 563 2HG LYS 78 1HG LYS 78 5.854 8.633 -8.984 564 1HD LYS 78 2HD LYS 78 4.958 6.189 -10.039 565 2HD LYS 78 1HD LYS 78 5.721 7.023 -11.393 566 1HE LYS 78 2HE LYS 78 7.409 7.470 -9.162 567 2HE LYS 78 1HE LYS 78 6.994 5.744 -9.140 568 1HZ LYS 78 1HZ LYS 78 8.900 6.551 -10.671 569 2HZ LYS 78 2HZ LYS 78 7.642 7.076 -11.687 570 3HZ LYS 78 3HZ LYS 78 7.774 5.434 -11.274 571 H VAL 79 H VAL 79 3.482 8.771 -5.270 572 HA VAL 79 HA VAL 79 6.051 7.576 -4.662 573 HB VAL 79 HB VAL 79 5.235 7.813 -2.387 574 1HG1 VAL 79 1HG1 VAL 79 3.861 10.136 -3.621 575 2HG1 VAL 79 2HG1 VAL 79 5.532 9.870 -4.118 576 3HG1 VAL 79 3HG1 VAL 79 5.146 10.101 -2.413 577 1HG2 VAL 79 1HG2 VAL 79 3.058 7.571 -1.826 578 2HG2 VAL 79 2HG2 VAL 79 2.782 7.088 -3.499 579 3HG2 VAL 79 3HG2 VAL 79 2.554 8.769 -3.017 580 H LEU 80 H LEU 80 5.958 5.523 -3.111 581 HA LEU 80 HA LEU 80 3.993 3.552 -4.238 582 1HB LEU 80 2HB LEU 80 6.702 3.684 -4.692 583 2HB LEU 80 1HB LEU 80 6.619 2.557 -3.337 584 HG LEU 80 HG LEU 80 4.842 2.272 -5.765 585 1HD1 LEU 80 1HD1 LEU 80 7.310 0.615 -5.383 586 2HD1 LEU 80 2HD1 LEU 80 7.465 2.209 -6.120 587 3HD1 LEU 80 3HD1 LEU 80 6.434 0.988 -6.867 588 1HD2 LEU 80 1HD2 LEU 80 4.344 1.108 -3.547 589 2HD2 LEU 80 2HD2 LEU 80 5.837 0.202 -3.791 590 3HD2 LEU 80 3HD2 LEU 80 4.512 0.043 -4.943 591 H VAL 81 H VAL 81 2.863 2.427 -2.704 592 HA VAL 81 HA VAL 81 3.901 2.433 0.112 593 HB VAL 81 HB VAL 81 0.977 2.302 -0.452 594 1HG1 VAL 81 1HG1 VAL 81 0.989 3.875 1.508 595 2HG1 VAL 81 2HG1 VAL 81 2.748 3.756 1.530 596 3HG1 VAL 81 3HG1 VAL 81 1.763 2.326 1.839 597 1HG2 VAL 81 1HG2 VAL 81 2.597 4.850 -0.782 598 2HG2 VAL 81 2HG2 VAL 81 0.837 4.748 -0.767 599 3HG2 VAL 81 3HG2 VAL 81 1.752 4.002 -2.077 600 H GLU 82 H GLU 82 2.599 0.620 1.387 601 HA GLU 82 HA GLU 82 1.809 -1.703 -0.237 602 1HB GLU 82 2HB GLU 82 3.679 -3.087 0.747 603 2HB GLU 82 1HB GLU 82 4.227 -1.837 -0.371 604 1HG GLU 82 2HG GLU 82 4.897 -0.400 1.426 605 2HG GLU 82 1HG GLU 82 4.092 -1.416 2.623 606 H MET 83 H MET 83 0.912 -3.414 1.113 607 HA MET 83 HA MET 83 0.790 -3.041 4.030 608 1HB MET 83 2HB MET 83 -1.720 -2.786 3.933 609 2HB MET 83 1HB MET 83 -0.840 -1.414 3.262 610 1HG MET 83 2HG MET 83 -1.069 -2.956 1.043 611 2HG MET 83 1HG MET 83 -2.544 -3.415 1.893 612 1HE MET 83 1HE MET 83 -0.914 -1.621 -0.371 613 2HE MET 83 2HE MET 83 -0.746 0.035 0.206 614 3HE MET 83 3HE MET 83 -2.030 -0.367 -0.931 615 H GLU 84 H GLU 84 0.307 -5.014 5.021 616 HA GLU 84 HA GLU 84 -0.235 -7.303 3.235 617 1HB GLU 84 2HB GLU 84 0.645 -8.534 5.272 618 2HB GLU 84 1HB GLU 84 1.797 -7.440 4.514 619 1HG GLU 84 2HG GLU 84 1.896 -6.132 6.354 620 2HG GLU 84 1HG GLU 84 0.139 -6.099 6.512 621 HA PRO 85 HA PRO 85 -4.224 -6.746 5.462 622 1HB PRO 85 2HB PRO 85 -5.776 -7.585 3.368 623 2HB PRO 85 1HB PRO 85 -5.223 -5.909 3.549 624 1HG PRO 85 2HG PRO 85 -4.140 -8.082 1.823 625 2HG PRO 85 1HG PRO 85 -4.347 -6.358 1.472 626 1HD PRO 85 2HD PRO 85 -1.951 -7.464 2.131 627 2HD PRO 85 1HD PRO 85 -2.380 -5.778 2.494 628 HA PRO 86 HA PRO 86 -4.809 -10.977 6.483 629 1HB PRO 86 2HB PRO 86 -7.532 -11.214 6.686 630 2HB PRO 86 1HB PRO 86 -6.542 -10.351 7.882 631 1HG PRO 86 2HG PRO 86 -8.174 -9.262 5.639 632 2HG PRO 86 1HG PRO 86 -7.978 -8.653 7.290 633 1HD PRO 86 2HD PRO 86 -6.679 -7.579 5.164 634 2HD PRO 86 1HD PRO 86 -5.999 -7.590 6.806 635 H PHE 87 H PHE 87 -5.703 -13.070 5.666 636 HA PHE 87 HA PHE 87 -5.465 -13.446 2.891 637 1HB PHE 87 2HB PHE 87 -7.342 -15.162 4.476 638 2HB PHE 87 1HB PHE 87 -6.035 -15.641 3.396 639 HD1 PHE 87 1HD PHE 87 -3.678 -14.362 4.299 640 HD2 PHE 87 2HD PHE 87 -6.935 -15.873 6.653 641 HE1 PHE 87 1HE PHE 87 -2.160 -14.593 6.244 642 HE2 PHE 87 2HE PHE 87 -5.419 -16.107 8.600 643 HZ PHE 87 HZ PHE 87 -3.031 -15.468 8.398 644 H GLY 88 H GLY 88 -6.801 -12.926 1.207 645 1HA GLY 88 2HA GLY 88 -9.071 -13.055 0.219 646 2HA GLY 88 1HA GLY 88 -9.711 -12.555 1.785 647 H ASP 89 H ASP 89 -10.109 -11.231 -0.807 648 HA ASP 89 HA ASP 89 -8.525 -8.952 -1.260 649 1HB ASP 89 2HB ASP 89 -10.760 -8.012 -2.084 650 2HB ASP 89 1HB ASP 89 -10.294 -9.577 -2.751 651 H SER 90 H SER 90 -8.762 -6.735 -0.507 652 HA SER 90 HA SER 90 -10.315 -6.371 2.019 653 1HB SER 90 2HB SER 90 -8.187 -5.235 2.896 654 2HB SER 90 1HB SER 90 -8.136 -6.992 2.765 655 HG SER 90 HG SER 90 -6.348 -5.607 1.820 656 H TYR 91 H TYR 91 -10.822 -4.126 2.450 657 HA TYR 91 HA TYR 91 -10.599 -2.383 0.031 658 1HB TYR 91 2HB TYR 91 -12.523 -2.783 2.284 659 2HB TYR 91 1HB TYR 91 -12.424 -1.172 1.573 660 HD1 TYR 91 1HD TYR 91 -11.577 -4.010 -0.542 661 HD2 TYR 91 2HD TYR 91 -14.780 -1.461 0.761 662 HE1 TYR 91 1HE TYR 91 -12.961 -4.770 -2.454 663 HE2 TYR 91 2HE TYR 91 -16.163 -2.221 -1.153 664 HH TYR 91 HH TYR 91 -16.177 -4.442 -2.639 665 H ILE 92 H ILE 92 -9.041 -0.815 0.164 666 HA ILE 92 HA ILE 92 -8.248 0.168 2.884 667 HB ILE 92 HB ILE 92 -6.580 -1.011 1.402 668 1HG1 ILE 92 2HG1 ILE 92 -5.953 0.726 3.130 669 2HG1 ILE 92 1HG1 ILE 92 -4.798 0.571 1.806 670 1HG2 ILE 92 1HG2 ILE 92 -6.928 1.469 -0.312 671 2HG2 ILE 92 2HG2 ILE 92 -7.490 -0.146 -0.743 672 3HG2 ILE 92 3HG2 ILE 92 -5.763 0.172 -0.582 673 1HD1 ILE 92 1HD1 ILE 92 -6.507 2.848 2.544 674 2HD1 ILE 92 2HD1 ILE 92 -6.555 2.456 0.825 675 3HD1 ILE 92 3HD1 ILE 92 -5.016 2.821 1.604 676 H VAL 93 H VAL 93 -8.730 2.298 3.346 677 HA VAL 93 HA VAL 93 -9.546 4.053 1.052 678 HB VAL 93 HB VAL 93 -10.343 4.195 3.975 679 1HG1 VAL 93 1HG1 VAL 93 -10.499 6.174 2.179 680 2HG1 VAL 93 2HG1 VAL 93 -11.771 5.904 3.369 681 3HG1 VAL 93 3HG1 VAL 93 -11.961 5.301 1.723 682 1HG2 VAL 93 1HG2 VAL 93 -11.736 2.466 3.579 683 2HG2 VAL 93 2HG2 VAL 93 -11.136 2.343 1.925 684 3HG2 VAL 93 3HG2 VAL 93 -12.498 3.400 2.292 685 H VAL 94 H VAL 94 -8.542 6.047 0.869 686 HA VAL 94 HA VAL 94 -6.517 6.753 2.970 687 HB VAL 94 HB VAL 94 -6.518 6.984 -0.052 688 1HG1 VAL 94 1HG1 VAL 94 -5.110 8.562 1.972 689 2HG1 VAL 94 2HG1 VAL 94 -5.249 8.833 0.234 690 3HG1 VAL 94 3HG1 VAL 94 -4.008 7.747 0.861 691 1HG2 VAL 94 1HG2 VAL 94 -4.169 5.803 0.788 692 2HG2 VAL 94 2HG2 VAL 94 -5.594 4.927 0.229 693 3HG2 VAL 94 3HG2 VAL 94 -5.339 5.185 1.955 694 H GLY 95 H GLY 95 -7.601 8.382 4.098 695 1HA GLY 95 2HA GLY 95 -8.147 10.871 2.634 696 2HA GLY 95 1HA GLY 95 -9.561 10.134 3.386 697 H MET 96 H MET 96 -8.813 12.628 4.259 698 HA MET 96 HA MET 96 -7.215 12.243 6.743 699 1HB MET 96 2HB MET 96 -7.058 14.146 4.923 700 2HB MET 96 1HB MET 96 -8.426 14.829 5.803 701 1HG MET 96 2HG MET 96 -7.006 14.491 7.924 702 2HG MET 96 1HG MET 96 -5.645 14.257 6.829 703 1HE MET 96 1HE MET 96 -5.832 15.528 4.667 704 2HE MET 96 2HE MET 96 -4.672 16.753 5.176 705 3HE MET 96 3HE MET 96 -6.219 17.246 4.492 706 H GLY 97 H GLY 97 -10.120 14.216 6.052 707 1HA GLY 97 2HA GLY 97 -11.751 12.776 7.986 708 2HA GLY 97 1HA GLY 97 -11.189 14.331 8.600 709 H ASP 98 H ASP 98 -11.981 13.621 5.228 710 HA ASP 98 HA ASP 98 -14.601 14.938 5.378 711 1HB ASP 98 2HB ASP 98 -13.705 16.765 3.771 712 2HB ASP 98 1HB ASP 98 -13.277 16.909 5.476 713 H LYS 99 H LYS 99 -11.897 14.079 3.203 714 HA LYS 99 HA LYS 99 -13.863 12.743 1.417 715 1HB LYS 99 2HB LYS 99 -13.274 14.873 0.432 716 2HB LYS 99 1HB LYS 99 -11.561 14.589 0.739 717 1HG LYS 99 2HG LYS 99 -11.438 13.698 -1.328 718 2HG LYS 99 1HG LYS 99 -12.394 12.347 -0.716 719 1HD LYS 99 2HD LYS 99 -13.959 14.755 -1.409 720 2HD LYS 99 1HD LYS 99 -13.180 13.959 -2.777 721 1HE LYS 99 2HE LYS 99 -14.395 12.015 -0.968 722 2HE LYS 99 1HE LYS 99 -15.586 13.169 -1.602 723 1HZ LYS 99 1HZ LYS 99 -15.259 11.356 -3.164 724 2HZ LYS 99 2HZ LYS 99 -13.589 11.665 -3.212 725 3HZ LYS 99 3HZ LYS 99 -14.686 12.809 -3.825 726 H GLN 100 H GLN 100 -13.261 10.634 0.990 727 HA GLN 100 HA GLN 100 -10.369 9.920 1.212 728 1HB GLN 100 2HB GLN 100 -11.248 7.856 2.496 729 2HB GLN 100 1HB GLN 100 -11.227 9.391 3.361 730 1HG GLN 100 2HG GLN 100 -13.374 8.333 3.748 731 2HG GLN 100 1HG GLN 100 -13.628 9.723 2.691 732 1HE2 GLN 100 1HE2 GLN 100 -14.707 9.308 0.757 733 2HE2 GLN 100 2HE2 GLN 100 -14.892 7.771 0.066 734 H ILE 101 H ILE 101 -9.783 8.090 -0.050 735 HA ILE 101 HA ILE 101 -11.835 7.251 -2.067 736 HB ILE 101 HB ILE 101 -8.843 7.669 -2.101 737 1HG1 ILE 101 2HG1 ILE 101 -9.991 8.692 -4.403 738 2HG1 ILE 101 1HG1 ILE 101 -11.246 8.959 -3.192 739 1HG2 ILE 101 1HG2 ILE 101 -10.436 5.729 -3.637 740 2HG2 ILE 101 2HG2 ILE 101 -8.690 5.826 -3.418 741 3HG2 ILE 101 3HG2 ILE 101 -9.481 6.819 -4.642 742 1HD1 ILE 101 1HD1 ILE 101 -9.562 10.840 -3.401 743 2HD1 ILE 101 2HD1 ILE 101 -8.348 9.726 -2.770 744 3HD1 ILE 101 3HD1 ILE 101 -9.732 10.178 -1.775 745 H ASN 102 H ASN 102 -12.481 5.135 -1.870 746 HA ASN 102 HA ASN 102 -10.810 3.280 -0.239 747 1HB ASN 102 2HB ASN 102 -12.860 2.108 0.104 748 2HB ASN 102 1HB ASN 102 -13.293 3.817 0.161 749 1HD2 ASN 102 1HD2 ASN 102 -14.706 4.624 -1.472 750 2HD2 ASN 102 2HD2 ASN 102 -15.345 3.655 -2.711 751 H HIS 103 H HIS 103 -9.931 1.422 -1.131 752 HA HIS 103 HA HIS 103 -10.440 0.933 -4.049 753 1HB HIS 103 2HB HIS 103 -7.973 0.909 -2.317 754 2HB HIS 103 1HB HIS 103 -8.014 -0.028 -3.811 755 HD1 HIS 103 1HD HIS 103 -9.895 2.159 -5.283 756 HD2 HIS 103 2HD HIS 103 -6.218 2.863 -3.450 757 HE1 HIS 103 1HE HIS 103 -8.969 4.270 -6.326 758 H HIS 104 H HIS 104 -10.213 -1.376 -4.679 759 HA HIS 104 HA HIS 104 -10.898 -3.221 -2.412 760 1HB HIS 104 2HB HIS 104 -12.250 -4.407 -4.129 761 2HB HIS 104 1HB HIS 104 -12.745 -2.722 -3.960 762 HD1 HIS 104 1HD HIS 104 -11.890 -1.046 -5.841 763 HD2 HIS 104 2HD HIS 104 -11.242 -5.082 -6.656 764 HE1 HIS 104 1HE HIS 104 -11.342 -1.200 -8.310 765 H TRP 105 H TRP 105 -8.697 -3.944 -2.110 766 HA TRP 105 HA TRP 105 -6.999 -4.820 -4.255 767 1HB TRP 105 2HB TRP 105 -5.956 -4.275 -2.218 768 2HB TRP 105 1HB TRP 105 -7.144 -5.169 -1.268 769 HD1 TRP 105 HD TRP 105 -5.623 -6.900 -0.103 770 HE1 TRP 105 1HE TRP 105 -4.102 -8.809 -0.933 771 HE3 TRP 105 3HE TRP 105 -5.583 -5.881 -5.107 772 HZ2 TRP 105 2HZ TRP 105 -3.011 -9.774 -3.396 773 HZ3 TRP 105 3HZ TRP 105 -4.296 -7.310 -6.670 774 HH2 TRP 105 HH TRP 105 -3.012 -9.253 -5.822 775 H HIS 106 H HIS 106 -7.634 -6.499 -5.578 776 HA HIS 106 HA HIS 106 -8.676 -8.982 -4.255 777 1HB HIS 106 2HB HIS 106 -10.058 -7.195 -5.894 778 2HB HIS 106 1HB HIS 106 -9.608 -8.506 -6.984 779 HD1 HIS 106 1HD HIS 106 -12.499 -7.767 -5.502 780 HD2 HIS 106 2HD HIS 106 -9.976 -11.014 -4.822 781 HE1 HIS 106 1HE HIS 106 -13.931 -9.580 -4.467 782 H LYS 107 H LYS 107 -7.713 -10.877 -4.997 783 HA LYS 107 HA LYS 107 -5.300 -10.696 -6.594 784 1HB LYS 107 2HB LYS 107 -5.850 -12.296 -4.700 785 2HB LYS 107 1HB LYS 107 -6.918 -13.140 -5.822 786 1HG LYS 107 2HG LYS 107 -4.531 -12.836 -7.242 787 2HG LYS 107 1HG LYS 107 -4.016 -13.255 -5.608 788 1HD LYS 107 2HD LYS 107 -5.182 -15.296 -5.627 789 2HD LYS 107 1HD LYS 107 -6.231 -14.791 -6.952 790 1HE LYS 107 2HE LYS 107 -3.240 -15.102 -7.324 791 2HE LYS 107 1HE LYS 107 -4.371 -16.447 -7.579 792 1HZ LYS 107 1HZ LYS 107 -5.687 -14.699 -8.921 793 2HZ LYS 107 2HZ LYS 107 -4.341 -15.440 -9.644 794 3HZ LYS 107 3HZ LYS 107 -4.209 -13.872 -9.005 795 H ALA 108 H ALA 108 -8.593 -10.873 -7.426 796 HA ALA 108 HA ALA 108 -8.065 -11.036 -10.254 797 1HB ALA 108 1HB ALA 108 -7.894 -13.452 -8.925 798 2HB ALA 108 2HB ALA 108 -8.229 -13.272 -10.647 799 3HB ALA 108 3HB ALA 108 -9.560 -13.458 -9.505 800 H GLY 109 H GLY 109 -10.021 -10.703 -11.472 801 1HA GLY 109 2HA GLY 109 -12.496 -10.372 -9.826 802 2HA GLY 109 1HA GLY 109 -11.993 -9.124 -10.967 803 H SER 110 H SER 110 -14.328 -9.784 -11.700 804 HA SER 110 HA SER 110 -14.001 -11.741 -13.931 805 1HB SER 110 2HB SER 110 -15.698 -11.904 -11.534 806 2HB SER 110 1HB SER 110 -16.584 -12.149 -13.036 807 HG SER 110 HG SER 110 -14.762 -13.628 -13.560 808 H THR 111 H THR 111 -13.965 -8.896 -14.117 809 HA THR 111 HA THR 111 -16.576 -8.397 -15.508 810 HB THR 111 HB THR 111 -14.894 -6.370 -14.008 811 HG1 THR 111 1HG THR 111 -17.311 -7.445 -13.071 812 1HG2 THR 111 1HG2 THR 111 -17.237 -6.258 -15.706 813 2HG2 THR 111 2HG2 THR 111 -16.299 -4.933 -15.018 814 3HG2 THR 111 3HG2 THR 111 -17.611 -5.659 -14.091 Start of MODEL 7 1 1H ASP 1 1HT ASP 1 26.867 7.239 9.861 2 2H ASP 1 2HT ASP 1 27.396 8.848 9.991 3 3H ASP 1 3HT ASP 1 25.960 8.487 9.158 4 HA ASP 1 HA ASP 1 26.387 8.075 12.076 5 1HB ASP 1 2HB ASP 1 24.859 10.057 12.194 6 2HB ASP 1 1HB ASP 1 26.396 10.430 11.412 7 H LYS 2 H LYS 2 23.902 8.210 12.944 8 HA LYS 2 HA LYS 2 22.310 6.311 11.247 9 1HB LYS 2 2HB LYS 2 23.525 5.935 13.743 10 2HB LYS 2 1HB LYS 2 21.821 6.190 14.119 11 1HG LYS 2 2HG LYS 2 21.737 3.931 13.687 12 2HG LYS 2 1HG LYS 2 21.527 4.522 12.037 13 1HD LYS 2 2HD LYS 2 24.140 4.483 11.958 14 2HD LYS 2 1HD LYS 2 23.994 3.390 13.334 15 1HE LYS 2 2HE LYS 2 22.789 1.776 12.070 16 2HE LYS 2 1HE LYS 2 22.439 2.938 10.775 17 1HZ LYS 2 1HZ LYS 2 24.307 1.497 10.189 18 2HZ LYS 2 2HZ LYS 2 25.150 2.012 11.572 19 3HZ LYS 2 3HZ LYS 2 24.800 3.114 10.326 20 H LEU 3 H LEU 3 20.211 6.945 10.868 21 HA LEU 3 HA LEU 3 19.106 9.193 12.523 22 1HB LEU 3 2HB LEU 3 17.997 9.800 10.269 23 2HB LEU 3 1HB LEU 3 19.730 10.101 10.412 24 HG LEU 3 HG LEU 3 18.942 7.399 9.459 25 1HD1 LEU 3 1HD1 LEU 3 18.274 8.043 7.308 26 2HD1 LEU 3 2HD1 LEU 3 18.933 9.669 7.485 27 3HD1 LEU 3 3HD1 LEU 3 17.447 9.224 8.323 28 1HD2 LEU 3 1HD2 LEU 3 20.978 7.548 8.292 29 2HD2 LEU 3 2HD2 LEU 3 21.301 8.484 9.751 30 3HD2 LEU 3 3HD2 LEU 3 20.927 9.310 8.239 31 H ALA 4 H ALA 4 17.773 7.805 13.800 32 HA ALA 4 HA ALA 4 16.022 5.826 12.510 33 1HB ALA 4 1HB ALA 4 17.067 5.457 14.710 34 2HB ALA 4 2HB ALA 4 15.310 5.471 14.866 35 3HB ALA 4 3HB ALA 4 16.249 6.884 15.347 36 H LEU 5 H LEU 5 13.599 5.946 13.191 37 HA LEU 5 HA LEU 5 12.634 8.744 12.716 38 1HB LEU 5 2HB LEU 5 10.715 7.638 11.668 39 2HB LEU 5 1HB LEU 5 12.206 6.989 10.986 40 HG LEU 5 HG LEU 5 11.814 5.336 13.146 41 1HD1 LEU 5 1HD1 LEU 5 9.583 4.927 13.542 42 2HD1 LEU 5 2HD1 LEU 5 9.100 5.397 11.912 43 3HD1 LEU 5 3HD1 LEU 5 9.462 6.634 13.117 44 1HD2 LEU 5 1HD2 LEU 5 11.726 5.217 10.284 45 2HD2 LEU 5 2HD2 LEU 5 10.426 4.209 10.921 46 3HD2 LEU 5 3HD2 LEU 5 12.093 3.918 11.419 47 H LYS 6 H LYS 6 11.357 9.661 14.291 48 HA LYS 6 HA LYS 6 10.359 7.874 16.487 49 1HB LYS 6 2HB LYS 6 10.879 9.674 17.996 50 2HB LYS 6 1HB LYS 6 12.279 9.492 16.940 51 1HG LYS 6 2HG LYS 6 10.968 11.257 15.453 52 2HG LYS 6 1HG LYS 6 10.218 11.662 16.997 53 1HD LYS 6 2HD LYS 6 12.107 13.078 16.903 54 2HD LYS 6 1HD LYS 6 12.633 11.739 17.925 55 1HE LYS 6 2HE LYS 6 14.289 11.238 16.464 56 2HE LYS 6 1HE LYS 6 13.114 11.096 15.141 57 1HZ LYS 6 1HZ LYS 6 13.150 13.420 14.792 58 2HZ LYS 6 2HZ LYS 6 14.778 12.944 14.893 59 3HZ LYS 6 3HZ LYS 6 14.029 13.705 16.215 60 H GLY 7 H GLY 7 8.736 9.715 17.777 61 1HA GLY 7 2HA GLY 7 6.613 10.170 15.730 62 2HA GLY 7 1HA GLY 7 6.320 9.953 17.456 63 H THR 8 H THR 8 7.613 12.211 15.053 64 HA THR 8 HA THR 8 7.869 14.387 17.012 65 HB THR 8 HB THR 8 7.901 14.627 14.006 66 HG1 THR 8 1HG THR 8 9.953 13.802 14.006 67 1HG2 THR 8 1HG2 THR 8 10.079 15.899 15.286 68 2HG2 THR 8 2HG2 THR 8 8.653 16.240 16.268 69 3HG2 THR 8 3HG2 THR 8 8.667 16.665 14.557 70 H THR 9 H THR 9 6.556 16.317 16.961 71 HA THR 9 HA THR 9 3.734 15.848 16.436 72 HB THR 9 HB THR 9 5.335 18.322 17.170 73 HG1 THR 9 1HG THR 9 4.449 17.740 19.268 74 1HG2 THR 9 1HG2 THR 9 2.369 17.781 17.470 75 2HG2 THR 9 2HG2 THR 9 3.076 18.806 16.221 76 3HG2 THR 9 3HG2 THR 9 3.218 19.260 17.918 77 H TYR 10 H TYR 10 3.309 15.642 14.210 78 HA TYR 10 HA TYR 10 3.924 18.057 12.542 79 1HB TYR 10 2HB TYR 10 5.131 15.582 12.343 80 2HB TYR 10 1HB TYR 10 3.831 15.460 11.157 81 HD1 TYR 10 1HD TYR 10 3.510 17.705 9.696 82 HD2 TYR 10 2HD TYR 10 7.152 16.470 11.611 83 HE1 TYR 10 1HE TYR 10 4.815 19.108 8.121 84 HE2 TYR 10 2HE TYR 10 8.456 17.874 10.037 85 HH TYR 10 HH TYR 10 6.827 19.785 7.500 86 H GLY 11 H GLY 11 2.319 18.496 10.911 87 1HA GLY 11 2HA GLY 11 -0.360 17.505 11.607 88 2HA GLY 11 1HA GLY 11 0.005 18.767 10.428 89 H MET 12 H MET 12 -0.930 15.543 10.773 90 HA MET 12 HA MET 12 0.257 14.421 8.380 91 1HB MET 12 2HB MET 12 -2.254 13.648 9.898 92 2HB MET 12 1HB MET 12 -1.262 12.599 8.893 93 1HG MET 12 2HG MET 12 0.615 12.817 10.427 94 2HG MET 12 1HG MET 12 -0.276 13.987 11.397 95 1HE MET 12 1HE MET 12 0.845 12.150 13.042 96 2HE MET 12 2HE MET 12 1.067 10.788 11.948 97 3HE MET 12 3HE MET 12 0.106 10.586 13.410 98 H CYS 13 H CYS 13 -0.317 15.111 6.339 99 HA CYS 13 HA CYS 13 -3.196 15.474 5.737 100 1HB CYS 13 2HB CYS 13 -2.930 17.722 5.004 101 2HB CYS 13 1HB CYS 13 -2.058 17.642 6.530 102 H THR 14 H THR 14 -3.334 13.938 4.135 103 HA THR 14 HA THR 14 -1.867 14.383 1.631 104 HB THR 14 HB THR 14 -1.432 11.631 2.380 105 HG1 THR 14 1HG THR 14 0.045 13.268 4.051 106 1HG2 THR 14 1HG2 THR 14 0.245 14.033 1.690 107 2HG2 THR 14 2HG2 THR 14 -0.035 12.573 0.742 108 3HG2 THR 14 3HG2 THR 14 1.004 12.515 2.167 109 H GLU 15 H GLU 15 -4.680 14.277 2.477 110 HA GLU 15 HA GLU 15 -5.900 11.770 1.789 111 1HB GLU 15 2HB GLU 15 -7.932 13.210 1.629 112 2HB GLU 15 1HB GLU 15 -6.988 13.547 3.082 113 1HG GLU 15 2HG GLU 15 -7.141 15.713 2.389 114 2HG GLU 15 1HG GLU 15 -5.825 15.261 1.304 115 H LYS 16 H LYS 16 -4.211 13.943 -0.166 116 HA LYS 16 HA LYS 16 -5.873 13.567 -2.580 117 1HB LYS 16 2HB LYS 16 -3.123 14.804 -2.273 118 2HB LYS 16 1HB LYS 16 -4.301 15.116 -3.548 119 1HG LYS 16 2HG LYS 16 -5.396 15.578 -0.873 120 2HG LYS 16 1HG LYS 16 -4.008 16.606 -1.225 121 1HD LYS 16 2HD LYS 16 -5.306 16.850 -3.566 122 2HD LYS 16 1HD LYS 16 -6.690 16.534 -2.518 123 1HE LYS 16 2HE LYS 16 -4.597 18.625 -1.846 124 2HE LYS 16 1HE LYS 16 -6.070 19.000 -2.764 125 1HZ LYS 16 1HZ LYS 16 -6.266 17.429 -0.284 126 2HZ LYS 16 2HZ LYS 16 -7.426 18.433 -1.015 127 3HZ LYS 16 3HZ LYS 16 -6.113 19.114 -0.180 128 H PHE 17 H PHE 17 -5.317 11.046 -1.993 129 HA PHE 17 HA PHE 17 -2.724 10.245 -3.204 130 1HB PHE 17 2HB PHE 17 -4.480 9.286 -1.182 131 2HB PHE 17 1HB PHE 17 -4.458 8.075 -2.465 132 HD1 PHE 17 1HD PHE 17 -1.780 10.437 -1.351 133 HD2 PHE 17 2HD PHE 17 -3.056 6.351 -1.702 134 HE1 PHE 17 1HE PHE 17 0.460 9.674 -0.610 135 HE2 PHE 17 2HE PHE 17 -0.816 5.587 -0.960 136 HZ PHE 17 HZ PHE 17 0.941 7.248 -0.414 137 H SER 18 H SER 18 -2.604 9.166 -5.171 138 HA SER 18 HA SER 18 -5.178 8.702 -6.644 139 1HB SER 18 2HB SER 18 -2.964 10.482 -7.158 140 2HB SER 18 1HB SER 18 -3.084 9.303 -8.462 141 HG SER 18 HG SER 18 -4.491 11.410 -8.284 142 H PHE 19 H PHE 19 -5.155 6.417 -6.375 143 HA PHE 19 HA PHE 19 -2.876 4.735 -6.523 144 1HB PHE 19 2HB PHE 19 -4.714 3.037 -7.161 145 2HB PHE 19 1HB PHE 19 -4.902 3.887 -5.633 146 HD1 PHE 19 1HD PHE 19 -6.778 5.289 -5.236 147 HD2 PHE 19 2HD PHE 19 -5.941 3.902 -9.215 148 HE1 PHE 19 1HE PHE 19 -8.965 6.172 -6.005 149 HE2 PHE 19 2HE PHE 19 -8.124 4.789 -9.984 150 HZ PHE 19 HZ PHE 19 -9.638 5.924 -8.378 151 H ALA 20 H ALA 20 -1.581 4.296 -8.243 152 HA ALA 20 HA ALA 20 -2.620 4.822 -11.000 153 1HB ALA 20 1HB ALA 20 -0.592 5.780 -11.318 154 2HB ALA 20 2HB ALA 20 0.236 4.342 -10.723 155 3HB ALA 20 3HB ALA 20 -0.308 5.577 -9.589 156 H LYS 21 H LYS 21 -1.364 2.361 -8.854 157 HA LYS 21 HA LYS 21 -1.785 0.333 -11.005 158 1HB LYS 21 2HB LYS 21 0.616 0.313 -9.167 159 2HB LYS 21 1HB LYS 21 0.385 -0.588 -10.665 160 1HG LYS 21 2HG LYS 21 0.165 1.815 -11.727 161 2HG LYS 21 1HG LYS 21 1.050 2.312 -10.285 162 1HD LYS 21 2HD LYS 21 2.170 -0.080 -11.569 163 2HD LYS 21 1HD LYS 21 2.209 1.352 -12.599 164 1HE LYS 21 2HE LYS 21 3.156 2.575 -10.504 165 2HE LYS 21 1HE LYS 21 3.507 0.941 -9.906 166 1HZ LYS 21 1HZ LYS 21 4.404 0.592 -12.291 167 2HZ LYS 21 2HZ LYS 21 5.375 1.399 -11.155 168 3HZ LYS 21 3HZ LYS 21 4.518 2.283 -12.326 169 H ASN 22 H ASN 22 -2.338 -1.756 -10.158 170 HA ASN 22 HA ASN 22 -3.762 -1.764 -7.655 171 1HB ASN 22 2HB ASN 22 -2.856 -3.822 -9.670 172 2HB ASN 22 1HB ASN 22 -3.729 -4.301 -8.215 173 1HD2 ASN 22 1HD2 ASN 22 -4.477 -4.058 -11.268 174 2HD2 ASN 22 2HD2 ASN 22 -5.974 -3.259 -11.220 175 HA PRO 23 HA PRO 23 -0.631 -2.909 -4.805 176 1HB PRO 23 2HB PRO 23 -1.971 -4.657 -3.177 177 2HB PRO 23 1HB PRO 23 -2.262 -2.906 -3.163 178 1HG PRO 23 2HG PRO 23 -3.835 -5.076 -4.459 179 2HG PRO 23 1HG PRO 23 -4.395 -3.618 -3.625 180 1HD PRO 23 2HD PRO 23 -4.307 -3.857 -6.339 181 2HD PRO 23 1HD PRO 23 -4.158 -2.305 -5.485 182 H ALA 24 H ALA 24 1.069 -4.311 -5.091 183 HA ALA 24 HA ALA 24 0.452 -7.101 -6.019 184 1HB ALA 24 1HB ALA 24 1.485 -5.359 -7.626 185 2HB ALA 24 2HB ALA 24 2.303 -6.916 -7.500 186 3HB ALA 24 3HB ALA 24 2.944 -5.511 -6.649 187 H ASP 25 H ASP 25 1.731 -8.764 -5.094 188 HA ASP 25 HA ASP 25 2.979 -8.102 -2.503 189 1HB ASP 25 2HB ASP 25 1.371 -10.053 -3.159 190 2HB ASP 25 1HB ASP 25 2.822 -10.812 -3.814 191 H THR 26 H THR 26 5.192 -8.510 -2.027 192 HA THR 26 HA THR 26 6.949 -8.844 -4.434 193 HB THR 26 HB THR 26 8.446 -7.811 -2.318 194 HG1 THR 26 1HG THR 26 5.899 -6.573 -2.383 195 1HG2 THR 26 1HG2 THR 26 8.853 -6.251 -3.894 196 2HG2 THR 26 2HG2 THR 26 7.164 -5.748 -3.927 197 3HG2 THR 26 3HG2 THR 26 7.697 -7.112 -4.909 198 H GLY 27 H GLY 27 7.405 -9.280 -0.911 199 1HA GLY 27 2HA GLY 27 8.903 -11.774 -1.475 200 2HA GLY 27 1HA GLY 27 8.862 -10.924 0.070 201 H HIS 28 H HIS 28 7.347 -11.544 1.588 202 HA HIS 28 HA HIS 28 5.258 -13.513 0.718 203 1HB HIS 28 2HB HIS 28 7.406 -14.423 1.817 204 2HB HIS 28 1HB HIS 28 6.829 -13.659 3.298 205 HD1 HIS 28 1HD HIS 28 5.785 -16.273 0.751 206 HD2 HIS 28 2HD HIS 28 4.817 -15.072 4.623 207 HE1 HIS 28 1HE HIS 28 4.186 -18.013 1.660 208 H GLY 29 H GLY 29 3.677 -11.768 0.863 209 1HA GLY 29 2HA GLY 29 1.835 -11.082 2.295 210 2HA GLY 29 1HA GLY 29 2.928 -11.156 3.678 211 H THR 30 H THR 30 4.533 -9.729 1.112 212 HA THR 30 HA THR 30 4.086 -7.024 2.292 213 HB THR 30 HB THR 30 6.235 -6.610 0.934 214 HG1 THR 30 1HG THR 30 5.644 -8.745 -0.207 215 1HG2 THR 30 1HG2 THR 30 6.299 -8.777 3.052 216 2HG2 THR 30 2HG2 THR 30 6.177 -7.050 3.384 217 3HG2 THR 30 3HG2 THR 30 7.626 -7.700 2.618 218 H VAL 31 H VAL 31 2.418 -6.012 1.171 219 HA VAL 31 HA VAL 31 2.285 -6.326 -1.771 220 HB VAL 31 HB VAL 31 0.344 -5.110 0.213 221 1HG1 VAL 31 1HG1 VAL 31 -0.521 -6.235 -2.398 222 2HG1 VAL 31 2HG1 VAL 31 0.381 -4.721 -2.463 223 3HG1 VAL 31 3HG1 VAL 31 -1.113 -4.817 -1.531 224 1HG2 VAL 31 1HG2 VAL 31 -0.875 -7.262 -0.035 225 2HG2 VAL 31 2HG2 VAL 31 0.723 -7.495 0.675 226 3HG2 VAL 31 3HG2 VAL 31 0.447 -7.882 -1.024 227 H VAL 32 H VAL 32 2.599 -4.542 -3.127 228 HA VAL 32 HA VAL 32 3.219 -1.936 -1.780 229 HB VAL 32 HB VAL 32 4.617 -1.923 -4.139 230 1HG1 VAL 32 1HG1 VAL 32 5.209 -1.693 -1.527 231 2HG1 VAL 32 2HG1 VAL 32 6.455 -1.866 -2.764 232 3HG1 VAL 32 3HG1 VAL 32 5.932 -3.272 -1.835 233 1HG2 VAL 32 1HG2 VAL 32 3.873 -4.327 -4.482 234 2HG2 VAL 32 2HG2 VAL 32 4.835 -4.746 -3.063 235 3HG2 VAL 32 3HG2 VAL 32 5.619 -4.080 -4.496 236 H ILE 33 H ILE 33 2.543 -0.044 -2.915 237 HA ILE 33 HA ILE 33 0.824 -0.465 -5.330 238 HB ILE 33 HB ILE 33 -0.561 -0.423 -3.283 239 1HG1 ILE 33 2HG1 ILE 33 -1.335 2.213 -4.100 240 2HG1 ILE 33 1HG1 ILE 33 -0.779 1.332 -5.523 241 1HG2 ILE 33 1HG2 ILE 33 0.811 0.787 -1.748 242 2HG2 ILE 33 2HG2 ILE 33 -0.603 1.804 -2.023 243 3HG2 ILE 33 3HG2 ILE 33 0.920 2.175 -2.830 244 1HD1 ILE 33 1HD1 ILE 33 -2.672 0.057 -3.555 245 2HD1 ILE 33 2HD1 ILE 33 -2.379 -0.376 -5.239 246 3HD1 ILE 33 3HD1 ILE 33 -3.272 1.094 -4.849 247 H GLU 34 H GLU 34 0.674 1.460 -6.672 248 HA GLU 34 HA GLU 34 2.781 3.504 -6.047 249 1HB GLU 34 2HB GLU 34 2.682 1.675 -8.087 250 2HB GLU 34 1HB GLU 34 1.938 3.083 -8.846 251 1HG GLU 34 2HG GLU 34 4.210 3.451 -9.270 252 2HG GLU 34 1HG GLU 34 3.955 4.384 -7.794 253 H LEU 35 H LEU 35 1.266 4.988 -5.073 254 HA LEU 35 HA LEU 35 -0.750 6.139 -6.984 255 1HB LEU 35 2HB LEU 35 -0.918 6.535 -4.024 256 2HB LEU 35 1HB LEU 35 -2.219 6.336 -5.199 257 HG LEU 35 HG LEU 35 -1.151 3.912 -5.441 258 1HD1 LEU 35 1HD1 LEU 35 0.121 5.073 -3.080 259 2HD1 LEU 35 2HD1 LEU 35 0.527 3.600 -3.959 260 3HD1 LEU 35 3HD1 LEU 35 -0.722 3.569 -2.715 261 1HD2 LEU 35 1HD2 LEU 35 -3.383 5.012 -4.201 262 2HD2 LEU 35 2HD2 LEU 35 -2.660 4.020 -2.935 263 3HD2 LEU 35 3HD2 LEU 35 -3.104 3.293 -4.480 264 H SER 36 H SER 36 -0.567 8.376 -7.334 265 HA SER 36 HA SER 36 1.805 9.686 -6.193 266 1HB SER 36 2HB SER 36 -0.005 11.016 -8.141 267 2HB SER 36 1HB SER 36 1.753 10.938 -8.125 268 HG SER 36 HG SER 36 0.055 9.447 -9.502 269 H TYR 37 H TYR 37 1.653 11.350 -4.685 270 HA TYR 37 HA TYR 37 -1.085 11.987 -3.729 271 1HB TYR 37 2HB TYR 37 0.403 11.408 -1.985 272 2HB TYR 37 1HB TYR 37 1.737 12.309 -2.705 273 HD1 TYR 37 1HD TYR 37 -1.820 13.175 -1.861 274 HD2 TYR 37 2HD TYR 37 2.341 14.116 -1.364 275 HE1 TYR 37 1HE TYR 37 -2.432 15.166 -0.517 276 HE2 TYR 37 2HE TYR 37 1.730 16.108 -0.019 277 HH TYR 37 HH TYR 37 -1.667 16.819 0.770 278 H SER 38 H SER 38 -1.943 13.590 -5.071 279 HA SER 38 HA SER 38 -0.240 15.838 -5.919 280 1HB SER 38 2HB SER 38 -2.757 16.262 -6.926 281 2HB SER 38 1HB SER 38 -1.515 15.310 -7.734 282 HG SER 38 HG SER 38 -3.597 14.249 -7.403 283 H GLY 39 H GLY 39 -0.215 16.406 -3.456 284 1HA GLY 39 2HA GLY 39 -2.618 18.078 -2.840 285 2HA GLY 39 1HA GLY 39 -1.656 17.276 -1.599 286 H SER 40 H SER 40 -2.235 20.231 -2.329 287 HA SER 40 HA SER 40 0.424 21.301 -2.965 288 1HB SER 40 2HB SER 40 -1.345 22.588 -3.794 289 2HB SER 40 1HB SER 40 -2.331 22.333 -2.357 290 HG SER 40 HG SER 40 -1.437 24.020 -1.482 291 H ASP 41 H ASP 41 0.109 19.644 -0.480 292 HA ASP 41 HA ASP 41 0.652 21.713 1.613 293 1HB ASP 41 2HB ASP 41 -0.592 19.029 1.481 294 2HB ASP 41 1HB ASP 41 0.412 19.316 2.902 295 H GLY 42 H GLY 42 2.179 19.401 -0.397 296 1HA GLY 42 2HA GLY 42 4.514 18.979 -0.548 297 2HA GLY 42 1HA GLY 42 4.738 19.841 0.974 298 HA PRO 43 HA PRO 43 5.354 15.536 2.168 299 1HB PRO 43 2HB PRO 43 6.839 16.142 4.390 300 2HB PRO 43 1HB PRO 43 7.527 16.066 2.756 301 1HG PRO 43 2HG PRO 43 6.712 18.439 4.356 302 2HG PRO 43 1HG PRO 43 8.107 18.223 3.288 303 1HD PRO 43 2HD PRO 43 5.860 19.580 2.559 304 2HD PRO 43 1HD PRO 43 6.908 18.729 1.401 305 H CYS 44 H CYS 44 4.093 14.373 3.622 306 HA CYS 44 HA CYS 44 3.071 15.506 6.109 307 1HB CYS 44 2HB CYS 44 1.763 16.074 3.645 308 2HB CYS 44 1HB CYS 44 0.751 14.922 4.512 309 H LYS 45 H LYS 45 1.783 13.883 7.281 310 HA LYS 45 HA LYS 45 2.507 11.131 6.617 311 1HB LYS 45 2HB LYS 45 0.502 12.099 8.669 312 2HB LYS 45 1HB LYS 45 1.530 10.669 8.749 313 1HG LYS 45 2HG LYS 45 2.359 13.567 9.000 314 2HG LYS 45 1HG LYS 45 2.560 12.275 10.183 315 1HD LYS 45 2HD LYS 45 4.206 11.171 8.817 316 2HD LYS 45 1HD LYS 45 3.881 12.249 7.459 317 1HE LYS 45 2HE LYS 45 4.912 14.098 8.526 318 2HE LYS 45 1HE LYS 45 4.835 13.325 10.121 319 1HZ LYS 45 1HZ LYS 45 6.368 12.261 7.809 320 2HZ LYS 45 2HZ LYS 45 6.350 11.637 9.390 321 3HZ LYS 45 3HZ LYS 45 7.054 13.151 9.079 322 H ILE 46 H ILE 46 1.262 9.748 5.376 323 HA ILE 46 HA ILE 46 -1.306 10.714 4.309 324 HB ILE 46 HB ILE 46 0.063 8.054 3.857 325 1HG1 ILE 46 2HG1 ILE 46 0.663 10.738 2.573 326 2HG1 ILE 46 1HG1 ILE 46 1.757 9.809 3.597 327 1HG2 ILE 46 1HG2 ILE 46 -1.410 9.778 1.865 328 2HG2 ILE 46 2HG2 ILE 46 -2.287 8.692 2.943 329 3HG2 ILE 46 3HG2 ILE 46 -1.107 8.043 1.804 330 1HD1 ILE 46 1HD1 ILE 46 0.675 8.246 1.366 331 2HD1 ILE 46 2HD1 ILE 46 2.346 8.431 1.899 332 3HD1 ILE 46 3HD1 ILE 46 1.621 9.638 0.838 333 HA PRO 47 HA PRO 47 -3.306 8.348 7.582 334 1HB PRO 47 2HB PRO 47 -5.709 9.630 7.375 335 2HB PRO 47 1HB PRO 47 -4.329 10.316 8.255 336 1HG PRO 47 2HG PRO 47 -5.390 10.999 5.577 337 2HG PRO 47 1HG PRO 47 -4.616 12.033 6.785 338 1HD PRO 47 2HD PRO 47 -3.391 11.022 4.508 339 2HD PRO 47 1HD PRO 47 -2.550 11.651 5.940 340 H ILE 48 H ILE 48 -3.502 6.327 6.479 341 HA ILE 48 HA ILE 48 -5.951 6.063 4.775 342 HB ILE 48 HB ILE 48 -3.092 5.269 4.258 343 1HG1 ILE 48 2HG1 ILE 48 -5.035 6.177 2.180 344 2HG1 ILE 48 1HG1 ILE 48 -4.517 7.364 3.378 345 1HG2 ILE 48 1HG2 ILE 48 -3.927 3.198 3.718 346 2HG2 ILE 48 2HG2 ILE 48 -4.372 4.033 2.230 347 3HG2 ILE 48 3HG2 ILE 48 -5.570 3.801 3.504 348 1HD1 ILE 48 1HD1 ILE 48 -2.753 5.749 1.518 349 2HD1 ILE 48 2HD1 ILE 48 -2.130 6.714 2.856 350 3HD1 ILE 48 3HD1 ILE 48 -2.980 7.498 1.524 351 H VAL 49 H VAL 49 -7.077 4.126 5.091 352 HA VAL 49 HA VAL 49 -6.002 2.309 7.222 353 HB VAL 49 HB VAL 49 -8.378 1.961 7.784 354 1HG1 VAL 49 1HG1 VAL 49 -8.273 4.920 7.519 355 2HG1 VAL 49 2HG1 VAL 49 -6.916 4.163 8.353 356 3HG1 VAL 49 3HG1 VAL 49 -8.559 3.928 8.948 357 1HG2 VAL 49 1HG2 VAL 49 -10.124 3.209 6.602 358 2HG2 VAL 49 2HG2 VAL 49 -9.229 2.214 5.454 359 3HG2 VAL 49 3HG2 VAL 49 -8.914 3.946 5.552 360 H SER 50 H SER 50 -6.242 0.041 6.858 361 HA SER 50 HA SER 50 -7.092 -0.720 4.081 362 1HB SER 50 2HB SER 50 -4.625 -1.108 5.627 363 2HB SER 50 1HB SER 50 -5.246 -2.606 4.942 364 HG SER 50 HG SER 50 -4.002 -0.568 3.723 365 H VAL 51 H VAL 51 -9.084 -1.677 4.474 366 HA VAL 51 HA VAL 51 -9.136 -3.869 6.520 367 HB VAL 51 HB VAL 51 -11.599 -3.112 6.741 368 1HG1 VAL 51 1HG1 VAL 51 -10.993 -1.375 8.359 369 2HG1 VAL 51 2HG1 VAL 51 -9.406 -1.205 7.609 370 3HG1 VAL 51 3HG1 VAL 51 -9.832 -2.699 8.443 371 1HG2 VAL 51 1HG2 VAL 51 -10.390 -0.669 5.405 372 2HG2 VAL 51 2HG2 VAL 51 -11.996 -0.750 6.128 373 3HG2 VAL 51 3HG2 VAL 51 -11.621 -1.717 4.702 374 H ALA 52 H ALA 52 -10.694 -5.583 6.000 375 HA ALA 52 HA ALA 52 -10.601 -6.535 3.342 376 1HB ALA 52 1HB ALA 52 -12.813 -7.117 5.319 377 2HB ALA 52 2HB ALA 52 -11.165 -7.686 5.583 378 3HB ALA 52 3HB ALA 52 -12.066 -8.223 4.166 379 H SER 53 H SER 53 -12.488 -6.817 1.843 380 HA SER 53 HA SER 53 -13.688 -4.364 1.087 381 1HB SER 53 2HB SER 53 -13.336 -6.351 -0.347 382 2HB SER 53 1HB SER 53 -14.563 -7.224 0.568 383 HG SER 53 HG SER 53 -15.162 -6.047 -1.482 384 H LEU 54 H LEU 54 -15.309 -3.251 2.071 385 HA LEU 54 HA LEU 54 -17.446 -2.897 3.057 386 1HB LEU 54 2HB LEU 54 -17.557 -5.448 1.963 387 2HB LEU 54 1HB LEU 54 -18.004 -5.709 3.649 388 HG LEU 54 HG LEU 54 -19.608 -3.741 3.388 389 1HD1 LEU 54 1HD1 LEU 54 -19.142 -4.299 0.445 390 2HD1 LEU 54 2HD1 LEU 54 -18.497 -2.895 1.296 391 3HD1 LEU 54 3HD1 LEU 54 -20.241 -3.105 1.136 392 1HD2 LEU 54 1HD2 LEU 54 -19.901 -6.452 2.853 393 2HD2 LEU 54 2HD2 LEU 54 -20.618 -5.680 1.439 394 3HD2 LEU 54 3HD2 LEU 54 -21.219 -5.297 3.052 395 H ASN 55 H ASN 55 -14.851 -3.206 4.525 396 HA ASN 55 HA ASN 55 -16.007 -3.900 7.207 397 1HB ASN 55 2HB ASN 55 -13.231 -4.361 6.071 398 2HB ASN 55 1HB ASN 55 -13.676 -4.661 7.750 399 1HD2 ASN 55 1HD2 ASN 55 -14.672 -6.653 8.220 400 2HD2 ASN 55 2HD2 ASN 55 -15.184 -7.764 7.043 401 H ASP 56 H ASP 56 -16.509 -1.566 7.385 402 HA ASP 56 HA ASP 56 -14.109 0.201 7.650 403 1HB ASP 56 2HB ASP 56 -15.973 0.822 6.102 404 2HB ASP 56 1HB ASP 56 -17.072 0.843 7.482 405 H MET 57 H MET 57 -15.760 -1.813 9.572 406 HA MET 57 HA MET 57 -15.846 0.081 11.899 407 1HB MET 57 2HB MET 57 -17.749 -1.677 10.782 408 2HB MET 57 1HB MET 57 -17.202 -2.460 12.266 409 1HG MET 57 2HG MET 57 -17.836 -0.615 13.608 410 2HG MET 57 1HG MET 57 -17.960 0.461 12.217 411 1HE MET 57 1HE MET 57 -21.334 0.187 10.890 412 2HE MET 57 2HE MET 57 -19.701 0.061 10.242 413 3HE MET 57 3HE MET 57 -20.053 1.243 11.500 414 H THR 58 H THR 58 -14.278 -2.638 10.536 415 HA THR 58 HA THR 58 -12.878 -3.144 13.133 416 HB THR 58 HB THR 58 -13.318 -5.441 11.312 417 HG1 THR 58 1HG THR 58 -15.480 -5.650 12.100 418 1HG2 THR 58 1HG2 THR 58 -13.108 -4.836 14.206 419 2HG2 THR 58 2HG2 THR 58 -12.467 -6.200 13.290 420 3HG2 THR 58 3HG2 THR 58 -14.163 -6.183 13.776 421 HA PRO 59 HA PRO 59 -9.411 -2.557 10.437 422 1HB PRO 59 2HB PRO 59 -7.471 -3.265 12.233 423 2HB PRO 59 1HB PRO 59 -8.312 -1.702 12.286 424 1HG PRO 59 2HG PRO 59 -8.757 -4.147 13.922 425 2HG PRO 59 1HG PRO 59 -8.818 -2.444 14.399 426 1HD PRO 59 2HD PRO 59 -11.036 -3.963 13.921 427 2HD PRO 59 1HD PRO 59 -10.987 -2.197 13.717 428 H VAL 60 H VAL 60 -8.454 -3.973 8.990 429 HA VAL 60 HA VAL 60 -8.025 -6.805 9.839 430 HB VAL 60 HB VAL 60 -9.572 -5.748 7.463 431 1HG1 VAL 60 1HG1 VAL 60 -8.074 -8.268 7.828 432 2HG1 VAL 60 2HG1 VAL 60 -8.630 -7.494 6.345 433 3HG1 VAL 60 3HG1 VAL 60 -9.744 -8.475 7.299 434 1HG2 VAL 60 1HG2 VAL 60 -10.246 -7.609 9.763 435 2HG2 VAL 60 2HG2 VAL 60 -11.318 -7.286 8.401 436 3HG2 VAL 60 3HG2 VAL 60 -10.880 -5.983 9.505 437 H GLY 61 H GLY 61 -7.580 -4.426 7.260 438 1HA GLY 61 2HA GLY 61 -5.256 -5.783 6.150 439 2HA GLY 61 1HA GLY 61 -5.827 -4.171 5.706 440 H ARG 62 H ARG 62 -3.039 -4.881 6.243 441 HA ARG 62 HA ARG 62 -2.588 -3.041 8.566 442 1HB ARG 62 2HB ARG 62 -1.038 -5.586 8.023 443 2HB ARG 62 1HB ARG 62 -0.978 -4.581 9.472 444 1HG ARG 62 2HG ARG 62 -3.641 -5.133 9.364 445 2HG ARG 62 1HG ARG 62 -2.977 -6.610 8.664 446 1HD ARG 62 2HD ARG 62 -3.048 -7.007 11.028 447 2HD ARG 62 1HD ARG 62 -1.352 -6.619 10.680 448 HE ARG 62 HE ARG 62 -2.674 -4.165 11.160 449 1HH1 ARG 62 1HH1 ARG 62 -4.091 -5.786 13.247 450 2HH1 ARG 62 2HH1 ARG 62 -3.035 -5.626 14.609 451 1HH2 ARG 62 1HH2 ARG 62 -0.344 -4.512 12.726 452 2HH2 ARG 62 2HH2 ARG 62 -0.913 -4.902 14.315 453 H LEU 63 H LEU 63 -0.494 -1.956 8.482 454 HA LEU 63 HA LEU 63 0.461 -1.541 5.708 455 1HB LEU 63 2HB LEU 63 0.953 -0.210 8.389 456 2HB LEU 63 1HB LEU 63 1.720 0.322 6.893 457 HG LEU 63 HG LEU 63 -1.026 0.051 6.298 458 1HD1 LEU 63 1HD1 LEU 63 -1.319 0.078 8.812 459 2HD1 LEU 63 2HD1 LEU 63 -2.137 1.391 7.966 460 3HD1 LEU 63 3HD1 LEU 63 -0.618 1.697 8.809 461 1HD2 LEU 63 1HD2 LEU 63 1.059 2.124 6.428 462 2HD2 LEU 63 2HD2 LEU 63 -0.575 2.755 6.634 463 3HD2 LEU 63 3HD2 LEU 63 -0.161 1.836 5.188 464 H VAL 64 H VAL 64 2.440 -2.319 4.997 465 HA VAL 64 HA VAL 64 3.892 -4.249 6.603 466 HB VAL 64 HB VAL 64 4.147 -2.941 3.908 467 1HG1 VAL 64 1HG1 VAL 64 6.254 -4.473 5.408 468 2HG1 VAL 64 2HG1 VAL 64 6.437 -3.064 4.362 469 3HG1 VAL 64 3HG1 VAL 64 6.129 -4.651 3.657 470 1HG2 VAL 64 1HG2 VAL 64 4.150 -5.876 4.606 471 2HG2 VAL 64 2HG2 VAL 64 3.651 -5.106 3.101 472 3HG2 VAL 64 3HG2 VAL 64 2.643 -4.962 4.541 473 H THR 65 H THR 65 4.529 -0.897 5.559 474 HA THR 65 HA THR 65 6.988 -0.863 7.254 475 HB THR 65 HB THR 65 7.005 -0.191 4.821 476 HG1 THR 65 1HG THR 65 8.475 1.251 5.291 477 1HG2 THR 65 1HG2 THR 65 4.855 0.832 4.588 478 2HG2 THR 65 2HG2 THR 65 6.041 2.120 4.381 479 3HG2 THR 65 3HG2 THR 65 5.175 1.956 5.908 480 H VAL 66 H VAL 66 7.292 1.446 8.301 481 HA VAL 66 HA VAL 66 5.389 1.846 10.336 482 HB VAL 66 HB VAL 66 6.586 4.120 10.433 483 1HG1 VAL 66 1HG1 VAL 66 7.859 1.415 10.502 484 2HG1 VAL 66 2HG1 VAL 66 7.589 2.558 11.817 485 3HG1 VAL 66 3HG1 VAL 66 8.900 2.828 10.670 486 1HG2 VAL 66 1HG2 VAL 66 7.107 3.501 7.766 487 2HG2 VAL 66 2HG2 VAL 66 8.644 3.200 8.578 488 3HG2 VAL 66 3HG2 VAL 66 7.877 4.785 8.698 489 H ASN 67 H ASN 67 4.496 4.375 10.467 490 HA ASN 67 HA ASN 67 2.141 4.536 8.988 491 1HB ASN 67 2HB ASN 67 3.826 6.246 10.624 492 2HB ASN 67 1HB ASN 67 3.035 7.181 9.354 493 1HD2 ASN 67 1HD2 ASN 67 1.916 8.027 11.502 494 2HD2 ASN 67 2HD2 ASN 67 0.494 7.217 11.952 495 HA PRO 68 HA PRO 68 3.589 5.407 4.900 496 1HB PRO 68 2HB PRO 68 1.169 6.042 3.796 497 2HB PRO 68 1HB PRO 68 1.654 4.376 4.167 498 1HG PRO 68 2HG PRO 68 -0.157 6.196 5.658 499 2HG PRO 68 1HG PRO 68 -0.255 4.444 5.426 500 1HD PRO 68 2HD PRO 68 0.645 5.662 7.722 501 2HD PRO 68 1HD PRO 68 1.071 4.010 7.226 502 H PHE 69 H PHE 69 4.617 7.443 5.971 503 HA PHE 69 HA PHE 69 3.088 9.920 5.337 504 1HB PHE 69 2HB PHE 69 4.959 10.879 6.806 505 2HB PHE 69 1HB PHE 69 3.811 9.815 7.611 506 HD1 PHE 69 1HD PHE 69 4.590 7.935 8.780 507 HD2 PHE 69 2HD PHE 69 7.112 9.788 5.839 508 HE1 PHE 69 1HE PHE 69 6.453 6.436 9.434 509 HE2 PHE 69 2HE PHE 69 8.976 8.287 6.492 510 HZ PHE 69 HZ PHE 69 8.646 6.612 8.291 511 H VAL 70 H VAL 70 3.943 11.384 3.844 512 HA VAL 70 HA VAL 70 6.348 10.463 2.325 513 HB VAL 70 HB VAL 70 4.700 12.717 1.335 514 1HG1 VAL 70 1HG1 VAL 70 4.706 11.116 -0.688 515 2HG1 VAL 70 2HG1 VAL 70 5.815 10.126 0.260 516 3HG1 VAL 70 3HG1 VAL 70 6.261 11.775 -0.177 517 1HG2 VAL 70 1HG2 VAL 70 2.841 11.573 2.268 518 2HG2 VAL 70 2HG2 VAL 70 3.526 9.990 1.903 519 3HG2 VAL 70 3HG2 VAL 70 2.908 11.005 0.600 520 H ALA 71 H ALA 71 7.268 11.485 4.575 521 HA ALA 71 HA ALA 71 7.427 14.364 4.753 522 1HB ALA 71 1HB ALA 71 9.293 12.215 5.810 523 2HB ALA 71 2HB ALA 71 7.784 12.694 6.588 524 3HB ALA 71 3HB ALA 71 9.109 13.849 6.449 525 H THR 72 H THR 72 7.941 14.109 2.143 526 HA THR 72 HA THR 72 10.858 14.701 1.936 527 HB THR 72 HB THR 72 10.069 13.293 -0.400 528 HG1 THR 72 1HG THR 72 8.765 11.824 0.293 529 1HG2 THR 72 1HG2 THR 72 12.161 13.355 1.443 530 2HG2 THR 72 2HG2 THR 72 12.072 12.341 0.002 531 3HG2 THR 72 3HG2 THR 72 11.534 11.710 1.559 532 H SER 73 H SER 73 11.335 15.849 -0.163 533 HA SER 73 HA SER 73 9.236 17.826 -0.737 534 1HB SER 73 2HB SER 73 11.266 18.887 -0.744 535 2HB SER 73 1HB SER 73 12.138 17.413 -1.153 536 HG SER 73 HG SER 73 10.769 19.219 -2.839 537 H SER 74 H SER 74 9.585 14.762 -1.781 538 HA SER 74 HA SER 74 8.754 15.425 -4.589 539 1HB SER 74 2HB SER 74 10.996 14.262 -4.144 540 2HB SER 74 1HB SER 74 10.054 12.873 -3.611 541 HG SER 74 HG SER 74 9.905 12.408 -5.648 542 H ALA 75 H ALA 75 7.269 14.820 -1.872 543 HA ALA 75 HA ALA 75 5.865 12.326 -2.261 544 1HB ALA 75 1HB ALA 75 6.116 13.624 -0.129 545 2HB ALA 75 2HB ALA 75 4.440 13.208 -0.486 546 3HB ALA 75 3HB ALA 75 5.028 14.843 -0.789 547 H ASN 76 H ASN 76 5.780 15.164 -4.042 548 HA ASN 76 HA ASN 76 2.912 15.123 -4.647 549 1HB ASN 76 2HB ASN 76 5.244 16.697 -5.787 550 2HB ASN 76 1HB ASN 76 3.537 17.054 -6.056 551 1HD2 ASN 76 1HD2 ASN 76 6.188 17.689 -3.986 552 2HD2 ASN 76 2HD2 ASN 76 5.324 18.414 -2.717 553 H SER 77 H SER 77 4.854 12.831 -5.298 554 HA SER 77 HA SER 77 4.228 12.718 -8.221 555 1HB SER 77 2HB SER 77 6.506 12.865 -8.381 556 2HB SER 77 1HB SER 77 6.738 12.437 -6.689 557 HG SER 77 HG SER 77 7.225 10.908 -8.673 558 H LYS 78 H LYS 78 4.784 10.155 -8.777 559 HA LYS 78 HA LYS 78 2.685 8.646 -7.544 560 1HB LYS 78 2HB LYS 78 4.679 8.406 -9.622 561 2HB LYS 78 1HB LYS 78 4.627 6.914 -8.682 562 1HG LYS 78 2HG LYS 78 2.081 7.020 -8.925 563 2HG LYS 78 1HG LYS 78 2.353 8.265 -10.143 564 1HD LYS 78 2HD LYS 78 3.667 5.540 -10.252 565 2HD LYS 78 1HD LYS 78 2.142 5.908 -11.057 566 1HE LYS 78 2HE LYS 78 4.495 7.721 -11.522 567 2HE LYS 78 1HE LYS 78 4.396 6.179 -12.398 568 1HZ LYS 78 1HZ LYS 78 2.030 6.800 -12.900 569 2HZ LYS 78 2HZ LYS 78 3.204 7.745 -13.684 570 3HZ LYS 78 3HZ LYS 78 2.383 8.357 -12.329 571 H VAL 79 H VAL 79 3.126 8.802 -5.231 572 HA VAL 79 HA VAL 79 5.629 7.861 -4.113 573 HB VAL 79 HB VAL 79 4.422 8.221 -2.018 574 1HG1 VAL 79 1HG1 VAL 79 4.872 10.379 -2.510 575 2HG1 VAL 79 2HG1 VAL 79 3.193 10.503 -3.036 576 3HG1 VAL 79 3HG1 VAL 79 4.460 10.144 -4.209 577 1HG2 VAL 79 1HG2 VAL 79 2.133 8.210 -1.817 578 2HG2 VAL 79 2HG2 VAL 79 2.258 7.195 -3.253 579 3HG2 VAL 79 3HG2 VAL 79 1.889 8.911 -3.417 580 H LEU 80 H LEU 80 5.399 5.941 -2.399 581 HA LEU 80 HA LEU 80 3.629 3.800 -3.527 582 1HB LEU 80 2HB LEU 80 5.857 3.545 -4.455 583 2HB LEU 80 1HB LEU 80 6.583 3.700 -2.855 584 HG LEU 80 HG LEU 80 4.560 1.617 -2.879 585 1HD1 LEU 80 1HD1 LEU 80 4.964 0.900 -5.017 586 2HD1 LEU 80 2HD1 LEU 80 6.380 0.166 -4.264 587 3HD1 LEU 80 3HD1 LEU 80 6.529 1.710 -5.102 588 1HD2 LEU 80 1HD2 LEU 80 5.996 1.125 -1.203 589 2HD2 LEU 80 2HD2 LEU 80 7.242 2.177 -1.875 590 3HD2 LEU 80 3HD2 LEU 80 7.093 0.514 -2.442 591 H VAL 81 H VAL 81 2.630 2.562 -1.979 592 HA VAL 81 HA VAL 81 3.461 2.953 0.876 593 HB VAL 81 HB VAL 81 0.726 2.113 -0.064 594 1HG1 VAL 81 1HG1 VAL 81 1.826 3.659 2.297 595 2HG1 VAL 81 2HG1 VAL 81 1.111 2.046 2.318 596 3HG1 VAL 81 3HG1 VAL 81 0.104 3.455 1.980 597 1HG2 VAL 81 1HG2 VAL 81 0.726 4.022 -1.337 598 2HG2 VAL 81 2HG2 VAL 81 2.058 4.744 -0.435 599 3HG2 VAL 81 3HG2 VAL 81 0.422 4.790 0.222 600 H GLU 82 H GLU 82 2.888 0.994 2.265 601 HA GLU 82 HA GLU 82 2.985 -1.567 0.710 602 1HB GLU 82 2HB GLU 82 4.656 -0.781 3.123 603 2HB GLU 82 1HB GLU 82 4.727 -2.331 2.285 604 1HG GLU 82 2HG GLU 82 5.884 -1.473 0.505 605 2HG GLU 82 1HG GLU 82 5.070 0.088 0.595 606 H MET 83 H MET 83 1.880 -3.304 1.727 607 HA MET 83 HA MET 83 0.852 -3.025 4.471 608 1HB MET 83 2HB MET 83 -1.526 -3.139 3.640 609 2HB MET 83 1HB MET 83 -0.701 -1.635 3.230 610 1HG MET 83 2HG MET 83 -0.134 -3.480 1.147 611 2HG MET 83 1HG MET 83 -1.869 -3.572 1.458 612 1HE MET 83 1HE MET 83 -0.472 -1.027 -1.535 613 2HE MET 83 2HE MET 83 -0.823 -2.728 -1.235 614 3HE MET 83 3HE MET 83 0.669 -2.021 -0.618 615 H GLU 84 H GLU 84 0.001 -5.043 5.250 616 HA GLU 84 HA GLU 84 0.390 -7.343 3.417 617 1HB GLU 84 2HB GLU 84 0.783 -8.396 5.859 618 2HB GLU 84 1HB GLU 84 2.088 -7.648 4.944 619 1HG GLU 84 2HG GLU 84 1.954 -5.638 6.178 620 2HG GLU 84 1HG GLU 84 0.345 -6.021 6.792 621 HA PRO 85 HA PRO 85 -3.931 -7.251 5.220 622 1HB PRO 85 2HB PRO 85 -5.287 -7.036 2.852 623 2HB PRO 85 1HB PRO 85 -4.754 -5.628 3.790 624 1HG PRO 85 2HG PRO 85 -3.548 -6.853 1.365 625 2HG PRO 85 1HG PRO 85 -3.681 -5.148 1.823 626 1HD PRO 85 2HD PRO 85 -1.389 -6.624 2.076 627 2HD PRO 85 1HD PRO 85 -1.770 -5.202 3.071 628 HA PRO 86 HA PRO 86 -4.370 -11.520 4.263 629 1HB PRO 86 2HB PRO 86 -7.049 -11.883 4.698 630 2HB PRO 86 1HB PRO 86 -5.879 -11.645 6.012 631 1HG PRO 86 2HG PRO 86 -7.758 -9.695 4.776 632 2HG PRO 86 1HG PRO 86 -7.291 -9.893 6.472 633 1HD PRO 86 2HD PRO 86 -6.280 -7.947 4.854 634 2HD PRO 86 1HD PRO 86 -5.393 -8.633 6.234 635 H PHE 87 H PHE 87 -4.950 -12.861 2.494 636 HA PHE 87 HA PHE 87 -5.460 -11.724 -0.030 637 1HB PHE 87 2HB PHE 87 -6.460 -14.477 0.618 638 2HB PHE 87 1HB PHE 87 -5.478 -13.938 -0.742 639 HD1 PHE 87 1HD PHE 87 -5.362 -15.853 2.127 640 HD2 PHE 87 2HD PHE 87 -3.155 -12.754 0.136 641 HE1 PHE 87 1HE PHE 87 -3.315 -16.525 3.350 642 HE2 PHE 87 2HE PHE 87 -1.106 -13.428 1.356 643 HZ PHE 87 HZ PHE 87 -1.183 -15.315 2.964 644 H GLY 88 H GLY 88 -7.368 -11.441 -1.264 645 1HA GLY 88 2HA GLY 88 -9.833 -12.019 -1.437 646 2HA GLY 88 1HA GLY 88 -9.920 -11.646 0.286 647 H ASP 89 H ASP 89 -11.612 -10.225 -1.260 648 HA ASP 89 HA ASP 89 -10.501 -7.777 -2.340 649 1HB ASP 89 2HB ASP 89 -13.206 -8.847 -1.569 650 2HB ASP 89 1HB ASP 89 -13.035 -7.151 -2.022 651 H SER 90 H SER 90 -9.860 -5.987 -1.207 652 HA SER 90 HA SER 90 -10.816 -5.691 1.626 653 1HB SER 90 2HB SER 90 -8.572 -4.922 2.155 654 2HB SER 90 1HB SER 90 -8.435 -6.452 1.293 655 HG SER 90 HG SER 90 -7.848 -3.845 0.462 656 H TYR 91 H TYR 91 -11.471 -3.601 2.209 657 HA TYR 91 HA TYR 91 -11.663 -1.624 -0.011 658 1HB TYR 91 2HB TYR 91 -13.228 -2.466 2.316 659 2HB TYR 91 1HB TYR 91 -13.076 -0.712 2.210 660 HD1 TYR 91 1HD TYR 91 -13.301 -3.390 -0.408 661 HD2 TYR 91 2HD TYR 91 -15.021 0.171 1.269 662 HE1 TYR 91 1HE TYR 91 -14.991 -3.352 -2.222 663 HE2 TYR 91 2HE TYR 91 -16.710 0.209 -0.546 664 HH TYR 91 HH TYR 91 -17.648 -2.082 -2.233 665 H ILE 92 H ILE 92 -10.047 -0.107 -0.032 666 HA ILE 92 HA ILE 92 -8.742 0.627 2.554 667 HB ILE 92 HB ILE 92 -7.477 -0.244 0.515 668 1HG1 ILE 92 2HG1 ILE 92 -6.438 1.097 2.366 669 2HG1 ILE 92 1HG1 ILE 92 -5.642 1.328 0.809 670 1HG2 ILE 92 1HG2 ILE 92 -7.230 1.132 -1.396 671 2HG2 ILE 92 2HG2 ILE 92 -7.913 2.537 -0.575 672 3HG2 ILE 92 3HG2 ILE 92 -8.957 1.193 -1.040 673 1HD1 ILE 92 1HD1 ILE 92 -7.539 3.277 0.688 674 2HD1 ILE 92 2HD1 ILE 92 -5.904 3.542 1.291 675 3HD1 ILE 92 3HD1 ILE 92 -7.221 3.242 2.422 676 H VAL 93 H VAL 93 -9.034 2.693 3.370 677 HA VAL 93 HA VAL 93 -10.496 4.654 1.628 678 HB VAL 93 HB VAL 93 -10.506 4.447 4.651 679 1HG1 VAL 93 1HG1 VAL 93 -11.263 6.592 3.885 680 2HG1 VAL 93 2HG1 VAL 93 -12.711 5.664 4.277 681 3HG1 VAL 93 3HG1 VAL 93 -12.219 5.864 2.595 682 1HG2 VAL 93 1HG2 VAL 93 -11.658 2.517 4.340 683 2HG2 VAL 93 2HG2 VAL 93 -11.838 2.806 2.610 684 3HG2 VAL 93 3HG2 VAL 93 -12.963 3.545 3.750 685 H VAL 94 H VAL 94 -9.203 6.355 1.077 686 HA VAL 94 HA VAL 94 -6.877 7.039 2.813 687 HB VAL 94 HB VAL 94 -7.652 7.939 0.019 688 1HG1 VAL 94 1HG1 VAL 94 -4.835 7.897 0.551 689 2HG1 VAL 94 2HG1 VAL 94 -5.634 8.802 1.837 690 3HG1 VAL 94 3HG1 VAL 94 -5.852 9.282 0.153 691 1HG2 VAL 94 1HG2 VAL 94 -6.669 5.409 0.997 692 2HG2 VAL 94 2HG2 VAL 94 -5.439 6.170 -0.011 693 3HG2 VAL 94 3HG2 VAL 94 -7.052 5.876 -0.660 694 H GLY 95 H GLY 95 -7.661 8.433 4.413 695 1HA GLY 95 2HA GLY 95 -8.609 11.068 3.513 696 2HA GLY 95 1HA GLY 95 -9.753 10.163 4.506 697 H MET 96 H MET 96 -8.237 12.680 5.107 698 HA MET 96 HA MET 96 -6.514 11.774 7.372 699 1HB MET 96 2HB MET 96 -5.746 14.123 7.310 700 2HB MET 96 1HB MET 96 -5.636 13.390 5.710 701 1HG MET 96 2HG MET 96 -7.573 14.515 4.937 702 2HG MET 96 1HG MET 96 -8.082 14.932 6.573 703 1HE MET 96 1HE MET 96 -4.505 16.096 4.267 704 2HE MET 96 2HE MET 96 -5.896 16.855 3.497 705 3HE MET 96 3HE MET 96 -5.906 15.120 3.801 706 H GLY 97 H GLY 97 -9.705 12.484 6.868 707 1HA GLY 97 2HA GLY 97 -10.818 12.436 9.266 708 2HA GLY 97 1HA GLY 97 -10.049 14.020 9.390 709 H ASP 98 H ASP 98 -10.491 15.347 7.193 710 HA ASP 98 HA ASP 98 -13.407 15.677 7.090 711 1HB ASP 98 2HB ASP 98 -11.042 17.209 6.698 712 2HB ASP 98 1HB ASP 98 -11.937 17.250 5.178 713 H LYS 99 H LYS 99 -11.178 15.769 4.318 714 HA LYS 99 HA LYS 99 -13.154 14.503 2.598 715 1HB LYS 99 2HB LYS 99 -10.512 15.838 2.419 716 2HB LYS 99 1HB LYS 99 -10.861 14.668 1.145 717 1HG LYS 99 2HG LYS 99 -12.838 16.813 1.936 718 2HG LYS 99 1HG LYS 99 -11.603 17.083 0.705 719 1HD LYS 99 2HD LYS 99 -12.555 14.759 -0.214 720 2HD LYS 99 1HD LYS 99 -14.005 15.314 0.623 721 1HE LYS 99 2HE LYS 99 -13.078 17.586 -0.737 722 2HE LYS 99 1HE LYS 99 -12.889 16.254 -1.894 723 1HZ LYS 99 1HZ LYS 99 -15.311 17.277 -0.626 724 2HZ LYS 99 2HZ LYS 99 -15.209 15.593 -0.830 725 3HZ LYS 99 3HZ LYS 99 -15.095 16.623 -2.176 726 H GLN 100 H GLN 100 -13.343 12.305 2.353 727 HA GLN 100 HA GLN 100 -10.891 10.623 2.633 728 1HB GLN 100 2HB GLN 100 -12.874 9.098 3.802 729 2HB GLN 100 1HB GLN 100 -11.689 10.054 4.687 730 1HG GLN 100 2HG GLN 100 -13.937 10.596 5.483 731 2HG GLN 100 1HG GLN 100 -13.257 11.990 4.641 732 1HE2 GLN 100 1HE2 GLN 100 -14.446 9.132 2.906 733 2HE2 GLN 100 2HE2 GLN 100 -15.777 9.906 2.198 734 H ILE 101 H ILE 101 -10.964 8.708 1.361 735 HA ILE 101 HA ILE 101 -13.396 8.319 -0.340 736 HB ILE 101 HB ILE 101 -11.766 8.036 -2.261 737 1HG1 ILE 101 2HG1 ILE 101 -9.856 9.156 -0.184 738 2HG1 ILE 101 1HG1 ILE 101 -9.752 7.574 -0.956 739 1HG2 ILE 101 1HG2 ILE 101 -11.664 10.357 -2.703 740 2HG2 ILE 101 2HG2 ILE 101 -11.477 10.762 -0.996 741 3HG2 ILE 101 3HG2 ILE 101 -13.034 10.195 -1.604 742 1HD1 ILE 101 1HD1 ILE 101 -8.422 9.763 -1.860 743 2HD1 ILE 101 2HD1 ILE 101 -9.908 9.891 -2.800 744 3HD1 ILE 101 3HD1 ILE 101 -8.923 8.433 -2.905 745 H ASN 102 H ASN 102 -13.958 6.168 -0.414 746 HA ASN 102 HA ASN 102 -11.942 4.168 0.539 747 1HB ASN 102 2HB ASN 102 -13.898 2.885 1.233 748 2HB ASN 102 1HB ASN 102 -14.070 4.539 1.823 749 1HD2 ASN 102 1HD2 ASN 102 -16.278 2.643 1.231 750 2HD2 ASN 102 2HD2 ASN 102 -17.219 3.376 0.024 751 H HIS 103 H HIS 103 -11.284 2.599 -0.893 752 HA HIS 103 HA HIS 103 -12.832 2.303 -3.449 753 1HB HIS 103 2HB HIS 103 -9.974 2.744 -2.790 754 2HB HIS 103 1HB HIS 103 -10.282 1.558 -4.059 755 HD1 HIS 103 1HD HIS 103 -12.783 4.266 -3.744 756 HD2 HIS 103 2HD HIS 103 -9.317 3.564 -5.952 757 HE1 HIS 103 1HE HIS 103 -12.766 5.973 -5.615 758 H HIS 104 H HIS 104 -12.352 0.091 -4.488 759 HA HIS 104 HA HIS 104 -12.176 -2.007 -2.349 760 1HB HIS 104 2HB HIS 104 -13.826 -3.222 -3.628 761 2HB HIS 104 1HB HIS 104 -14.402 -1.560 -3.483 762 HD1 HIS 104 1HD HIS 104 -13.848 0.022 -5.622 763 HD2 HIS 104 2HD HIS 104 -13.532 -4.087 -6.250 764 HE1 HIS 104 1HE HIS 104 -13.863 -0.322 -8.132 765 H TRP 105 H TRP 105 -10.415 -3.320 -2.586 766 HA TRP 105 HA TRP 105 -9.083 -3.455 -5.235 767 1HB TRP 105 2HB TRP 105 -8.236 -3.754 -2.363 768 2HB TRP 105 1HB TRP 105 -7.219 -4.383 -3.660 769 HD1 TRP 105 HD TRP 105 -8.679 -1.651 -5.328 770 HE1 TRP 105 1HE TRP 105 -7.293 0.514 -5.141 771 HE3 TRP 105 3HE TRP 105 -5.646 -2.881 -1.409 772 HZ2 TRP 105 2HZ TRP 105 -5.178 1.584 -3.539 773 HZ3 TRP 105 3HZ TRP 105 -3.956 -1.273 -0.572 774 HH2 TRP 105 HH TRP 105 -3.718 0.957 -1.632 775 H HIS 106 H HIS 106 -8.655 -5.498 -6.172 776 HA HIS 106 HA HIS 106 -9.865 -7.859 -4.765 777 1HB HIS 106 2HB HIS 106 -10.445 -8.580 -7.134 778 2HB HIS 106 1HB HIS 106 -11.297 -7.143 -6.571 779 HD1 HIS 106 1HD HIS 106 -8.927 -8.324 -9.146 780 HD2 HIS 106 2HD HIS 106 -10.207 -4.651 -7.648 781 HE1 HIS 106 1HE HIS 106 -8.177 -6.570 -10.813 782 H LYS 107 H LYS 107 -8.339 -9.414 -4.384 783 HA LYS 107 HA LYS 107 -5.897 -9.459 -6.121 784 1HB LYS 107 2HB LYS 107 -6.485 -9.964 -3.219 785 2HB LYS 107 1HB LYS 107 -5.094 -10.758 -3.960 786 1HG LYS 107 2HG LYS 107 -4.027 -8.816 -3.401 787 2HG LYS 107 1HG LYS 107 -4.757 -8.233 -4.898 788 1HD LYS 107 2HD LYS 107 -5.393 -6.594 -3.341 789 2HD LYS 107 1HD LYS 107 -6.806 -7.649 -3.395 790 1HE LYS 107 2HE LYS 107 -5.541 -8.925 -1.442 791 2HE LYS 107 1HE LYS 107 -4.756 -7.348 -1.225 792 1HZ LYS 107 1HZ LYS 107 -6.798 -7.391 0.029 793 2HZ LYS 107 2HZ LYS 107 -7.682 -7.862 -1.343 794 3HZ LYS 107 3HZ LYS 107 -6.973 -6.320 -1.273 795 H ALA 108 H ALA 108 -8.758 -11.124 -5.447 796 HA ALA 108 HA ALA 108 -8.042 -13.388 -7.094 797 1HB ALA 108 1HB ALA 108 -7.455 -14.950 -5.515 798 2HB ALA 108 2HB ALA 108 -8.549 -14.281 -4.305 799 3HB ALA 108 3HB ALA 108 -6.985 -13.520 -4.596 800 H GLY 109 H GLY 109 -10.033 -13.503 -8.093 801 1HA GLY 109 2HA GLY 109 -12.423 -13.799 -6.328 802 2HA GLY 109 1HA GLY 109 -12.481 -12.723 -7.725 803 H SER 110 H SER 110 -14.274 -14.838 -7.549 804 HA SER 110 HA SER 110 -13.267 -17.142 -9.063 805 1HB SER 110 2HB SER 110 -15.167 -16.889 -7.244 806 2HB SER 110 1HB SER 110 -16.162 -16.458 -8.631 807 HG SER 110 HG SER 110 -16.088 -18.460 -9.294 808 H THR 111 H THR 111 -13.319 -17.323 -11.280 809 HA THR 111 HA THR 111 -15.042 -15.413 -12.818 810 HB THR 111 HB THR 111 -12.391 -16.162 -13.925 811 HG1 THR 111 1HG THR 111 -12.402 -14.125 -12.027 812 1HG2 THR 111 1HG2 THR 111 -13.354 -14.544 -15.232 813 2HG2 THR 111 2HG2 THR 111 -12.570 -13.477 -14.066 814 3HG2 THR 111 3HG2 THR 111 -14.281 -13.868 -13.893 Start of MODEL 8 1 1H ASP 1 1HT ASP 1 20.613 10.216 12.499 2 2H ASP 1 2HT ASP 1 19.324 11.094 11.825 3 3H ASP 1 3HT ASP 1 20.911 11.356 11.279 4 HA ASP 1 HA ASP 1 20.222 9.987 9.607 5 1HB ASP 1 2HB ASP 1 21.732 8.876 11.734 6 2HB ASP 1 1HB ASP 1 20.642 7.603 11.182 7 H LYS 2 H LYS 2 18.705 9.014 12.683 8 HA LYS 2 HA LYS 2 16.442 7.826 11.116 9 1HB LYS 2 2HB LYS 2 18.046 6.727 13.042 10 2HB LYS 2 1HB LYS 2 16.700 7.315 14.019 11 1HG LYS 2 2HG LYS 2 15.463 6.159 11.806 12 2HG LYS 2 1HG LYS 2 16.793 5.059 12.171 13 1HD LYS 2 2HD LYS 2 16.007 4.620 14.336 14 2HD LYS 2 1HD LYS 2 15.034 6.091 14.385 15 1HE LYS 2 2HE LYS 2 13.382 4.469 14.011 16 2HE LYS 2 1HE LYS 2 13.778 4.931 12.343 17 1HZ LYS 2 1HZ LYS 2 15.076 2.726 13.856 18 2HZ LYS 2 2HZ LYS 2 15.396 3.161 12.246 19 3HZ LYS 2 3HZ LYS 2 13.884 2.514 12.669 20 H LEU 3 H LEU 3 14.408 8.713 11.396 21 HA LEU 3 HA LEU 3 14.168 11.225 12.894 22 1HB LEU 3 2HB LEU 3 13.184 10.565 10.602 23 2HB LEU 3 1HB LEU 3 11.990 9.642 11.518 24 HG LEU 3 HG LEU 3 11.294 11.659 12.708 25 1HD1 LEU 3 1HD1 LEU 3 13.647 12.824 11.244 26 2HD1 LEU 3 2HD1 LEU 3 13.203 12.992 12.942 27 3HD1 LEU 3 3HD1 LEU 3 12.299 13.865 11.705 28 1HD2 LEU 3 1HD2 LEU 3 10.739 13.070 10.517 29 2HD2 LEU 3 2HD2 LEU 3 9.978 11.504 10.805 30 3HD2 LEU 3 3HD2 LEU 3 11.359 11.626 9.715 31 H ALA 4 H ALA 4 12.993 11.505 14.815 32 HA ALA 4 HA ALA 4 12.020 8.992 16.134 33 1HB ALA 4 1HB ALA 4 12.488 11.227 17.906 34 2HB ALA 4 2HB ALA 4 13.892 10.983 16.867 35 3HB ALA 4 3HB ALA 4 13.297 9.661 17.871 36 H LEU 5 H LEU 5 10.010 9.094 17.252 37 HA LEU 5 HA LEU 5 8.284 11.427 16.505 38 1HB LEU 5 2HB LEU 5 7.574 8.568 17.240 39 2HB LEU 5 1HB LEU 5 6.462 9.789 16.621 40 HG LEU 5 HG LEU 5 8.931 9.097 15.055 41 1HD1 LEU 5 1HD1 LEU 5 7.062 7.160 15.793 42 2HD1 LEU 5 2HD1 LEU 5 8.171 7.065 14.424 43 3HD1 LEU 5 3HD1 LEU 5 6.533 7.675 14.190 44 1HD2 LEU 5 1HD2 LEU 5 6.267 10.385 14.613 45 2HD2 LEU 5 2HD2 LEU 5 7.003 9.532 13.257 46 3HD2 LEU 5 3HD2 LEU 5 7.857 10.870 14.025 47 H LYS 6 H LYS 6 7.836 12.756 18.213 48 HA LYS 6 HA LYS 6 8.035 11.673 20.986 49 1HB LYS 6 2HB LYS 6 7.724 14.539 20.057 50 2HB LYS 6 1HB LYS 6 8.369 13.968 21.597 51 1HG LYS 6 2HG LYS 6 9.965 12.686 19.720 52 2HG LYS 6 1HG LYS 6 9.724 14.289 19.025 53 1HD LYS 6 2HD LYS 6 10.399 15.293 21.210 54 2HD LYS 6 1HD LYS 6 10.749 13.671 21.811 55 1HE LYS 6 2HE LYS 6 12.434 13.353 20.043 56 2HE LYS 6 1HE LYS 6 12.070 14.966 19.398 57 1HZ LYS 6 1HZ LYS 6 12.936 14.405 22.186 58 2HZ LYS 6 2HZ LYS 6 12.650 15.938 21.509 59 3HZ LYS 6 3HZ LYS 6 13.952 14.994 20.963 60 H GLY 7 H GLY 7 6.365 13.302 22.377 61 1HA GLY 7 2HA GLY 7 3.700 12.427 21.426 62 2HA GLY 7 1HA GLY 7 4.073 13.024 23.044 63 H THR 8 H THR 8 5.340 14.822 20.380 64 HA THR 8 HA THR 8 3.704 17.146 21.135 65 HB THR 8 HB THR 8 5.210 18.287 19.558 66 HG1 THR 8 1HG THR 8 6.310 15.746 19.003 67 1HG2 THR 8 1HG2 THR 8 6.479 16.240 21.383 68 2HG2 THR 8 2HG2 THR 8 6.178 17.946 21.710 69 3HG2 THR 8 3HG2 THR 8 7.419 17.477 20.549 70 H THR 9 H THR 9 2.498 18.379 19.462 71 HA THR 9 HA THR 9 0.748 16.676 17.897 72 HB THR 9 HB THR 9 0.231 18.877 19.065 73 HG1 THR 9 1HG THR 9 -0.845 19.655 16.949 74 1HG2 THR 9 1HG2 THR 9 1.114 20.856 18.343 75 2HG2 THR 9 2HG2 THR 9 1.151 20.342 16.656 76 3HG2 THR 9 3HG2 THR 9 2.415 19.813 17.767 77 H TYR 10 H TYR 10 0.391 17.195 15.489 78 HA TYR 10 HA TYR 10 2.799 18.104 14.026 79 1HB TYR 10 2HB TYR 10 2.460 15.435 14.760 80 2HB TYR 10 1HB TYR 10 1.899 15.484 13.089 81 HD1 TYR 10 1HD TYR 10 4.765 16.190 15.331 82 HD2 TYR 10 2HD TYR 10 3.409 15.907 11.265 83 HE1 TYR 10 1HE TYR 10 7.114 16.287 14.542 84 HE2 TYR 10 2HE TYR 10 5.759 16.004 10.476 85 HH TYR 10 HH TYR 10 8.468 16.047 12.770 86 H GLY 11 H GLY 11 2.298 17.727 11.537 87 1HA GLY 11 2HA GLY 11 -0.500 18.651 11.106 88 2HA GLY 11 1HA GLY 11 0.841 18.914 9.990 89 H MET 12 H MET 12 -1.772 16.863 10.783 90 HA MET 12 HA MET 12 -0.757 14.620 9.114 91 1HB MET 12 2HB MET 12 -2.923 15.120 11.122 92 2HB MET 12 1HB MET 12 -3.142 13.804 9.972 93 1HG MET 12 2HG MET 12 -1.555 12.520 10.964 94 2HG MET 12 1HG MET 12 -0.460 13.887 11.177 95 1HE MET 12 1HE MET 12 -0.560 14.728 14.676 96 2HE MET 12 2HE MET 12 -0.283 15.373 13.060 97 3HE MET 12 3HE MET 12 0.404 13.813 13.507 98 H CYS 13 H CYS 13 -0.971 15.456 6.960 99 HA CYS 13 HA CYS 13 -3.775 15.695 6.023 100 1HB CYS 13 2HB CYS 13 -3.465 17.883 5.148 101 2HB CYS 13 1HB CYS 13 -2.759 17.942 6.759 102 H THR 14 H THR 14 -3.706 14.019 4.539 103 HA THR 14 HA THR 14 -1.966 14.331 2.190 104 HB THR 14 HB THR 14 -1.613 11.647 3.232 105 HG1 THR 14 1HG THR 14 -0.123 12.705 4.929 106 1HG2 THR 14 1HG2 THR 14 0.844 12.600 3.172 107 2HG2 THR 14 2HG2 THR 14 0.079 13.955 2.340 108 3HG2 THR 14 3HG2 THR 14 -0.036 12.328 1.668 109 H GLU 15 H GLU 15 -4.886 14.145 2.814 110 HA GLU 15 HA GLU 15 -5.865 11.549 1.989 111 1HB GLU 15 2HB GLU 15 -7.015 13.441 3.296 112 2HB GLU 15 1HB GLU 15 -7.257 14.225 1.733 113 1HG GLU 15 2HG GLU 15 -8.033 11.356 1.929 114 2HG GLU 15 1HG GLU 15 -9.057 12.518 2.775 115 H LYS 16 H LYS 16 -4.150 13.817 0.260 116 HA LYS 16 HA LYS 16 -5.662 13.623 -2.266 117 1HB LYS 16 2HB LYS 16 -2.900 14.751 -1.741 118 2HB LYS 16 1HB LYS 16 -4.019 15.198 -3.030 119 1HG LYS 16 2HG LYS 16 -5.376 15.522 -0.536 120 2HG LYS 16 1HG LYS 16 -3.810 16.324 -0.412 121 1HD LYS 16 2HD LYS 16 -4.716 16.998 -2.964 122 2HD LYS 16 1HD LYS 16 -6.160 17.098 -1.954 123 1HE LYS 16 2HE LYS 16 -3.788 18.266 -0.665 124 2HE LYS 16 1HE LYS 16 -4.259 19.094 -2.164 125 1HZ LYS 16 1HZ LYS 16 -5.486 19.862 -0.149 126 2HZ LYS 16 2HZ LYS 16 -6.182 18.316 -0.040 127 3HZ LYS 16 3HZ LYS 16 -6.485 19.294 -1.396 128 H PHE 17 H PHE 17 -5.220 11.064 -1.802 129 HA PHE 17 HA PHE 17 -2.584 10.225 -2.891 130 1HB PHE 17 2HB PHE 17 -4.677 9.183 -1.160 131 2HB PHE 17 1HB PHE 17 -4.256 8.013 -2.412 132 HD1 PHE 17 1HD PHE 17 -2.151 10.599 -0.712 133 HD2 PHE 17 2HD PHE 17 -2.870 6.416 -1.380 134 HE1 PHE 17 1HE PHE 17 -0.060 10.045 0.501 135 HE2 PHE 17 2HE PHE 17 -0.780 5.863 -0.166 136 HZ PHE 17 HZ PHE 17 0.625 7.677 0.775 137 H SER 18 H SER 18 -2.407 9.106 -4.891 138 HA SER 18 HA SER 18 -4.907 9.030 -6.556 139 1HB SER 18 2HB SER 18 -2.088 9.918 -7.217 140 2HB SER 18 1HB SER 18 -3.322 9.646 -8.444 141 HG SER 18 HG SER 18 -3.192 11.586 -6.408 142 H PHE 19 H PHE 19 -5.251 6.777 -6.465 143 HA PHE 19 HA PHE 19 -3.274 4.741 -6.487 144 1HB PHE 19 2HB PHE 19 -5.971 4.573 -7.848 145 2HB PHE 19 1HB PHE 19 -5.116 3.305 -6.971 146 HD1 PHE 19 1HD PHE 19 -4.674 3.692 -4.447 147 HD2 PHE 19 2HD PHE 19 -7.531 5.941 -6.736 148 HE1 PHE 19 1HE PHE 19 -5.821 4.364 -2.354 149 HE2 PHE 19 2HE PHE 19 -8.677 6.614 -4.642 150 HZ PHE 19 HZ PHE 19 -7.823 5.825 -2.451 151 H ALA 20 H ALA 20 -1.717 4.499 -8.052 152 HA ALA 20 HA ALA 20 -2.367 5.255 -10.867 153 1HB ALA 20 1HB ALA 20 0.371 4.463 -10.039 154 2HB ALA 20 2HB ALA 20 -0.287 5.890 -9.237 155 3HB ALA 20 3HB ALA 20 -0.155 5.848 -10.996 156 H LYS 21 H LYS 21 -1.503 2.514 -8.836 157 HA LYS 21 HA LYS 21 -1.951 0.713 -11.169 158 1HB LYS 21 2HB LYS 21 0.402 0.378 -9.301 159 2HB LYS 21 1HB LYS 21 0.151 -0.362 -10.882 160 1HG LYS 21 2HG LYS 21 0.147 2.064 -11.791 161 2HG LYS 21 1HG LYS 21 0.872 2.495 -10.243 162 1HD LYS 21 2HD LYS 21 2.405 0.352 -10.917 163 2HD LYS 21 1HD LYS 21 2.035 0.996 -12.517 164 1HE LYS 21 2HE LYS 21 2.638 3.252 -10.933 165 2HE LYS 21 1HE LYS 21 3.875 2.041 -10.540 166 1HZ LYS 21 1HZ LYS 21 3.027 2.503 -13.332 167 2HZ LYS 21 2HZ LYS 21 4.461 1.794 -12.760 168 3HZ LYS 21 3HZ LYS 21 4.225 3.472 -12.624 169 H ASN 22 H ASN 22 -2.652 -1.403 -10.522 170 HA ASN 22 HA ASN 22 -4.135 -1.544 -8.060 171 1HB ASN 22 2HB ASN 22 -4.576 -3.831 -8.829 172 2HB ASN 22 1HB ASN 22 -4.635 -2.728 -10.204 173 1HD2 ASN 22 1HD2 ASN 22 -3.097 -3.026 -11.886 174 2HD2 ASN 22 2HD2 ASN 22 -1.901 -4.229 -11.856 175 HA PRO 23 HA PRO 23 -1.059 -3.017 -5.293 176 1HB PRO 23 2HB PRO 23 -2.604 -4.512 -3.599 177 2HB PRO 23 1HB PRO 23 -2.624 -2.737 -3.612 178 1HG PRO 23 2HG PRO 23 -4.554 -4.660 -4.805 179 2HG PRO 23 1HG PRO 23 -4.851 -3.106 -4.012 180 1HD PRO 23 2HD PRO 23 -4.866 -3.461 -6.725 181 2HD PRO 23 1HD PRO 23 -4.499 -1.915 -5.928 182 H ALA 24 H ALA 24 0.316 -4.813 -5.155 183 HA ALA 24 HA ALA 24 -0.717 -7.481 -5.987 184 1HB ALA 24 1HB ALA 24 1.214 -5.704 -7.418 185 2HB ALA 24 2HB ALA 24 0.013 -6.812 -8.080 186 3HB ALA 24 3HB ALA 24 1.530 -7.439 -7.438 187 H ASP 25 H ASP 25 1.030 -9.184 -5.613 188 HA ASP 25 HA ASP 25 2.376 -8.637 -3.040 189 1HB ASP 25 2HB ASP 25 0.958 -10.689 -3.757 190 2HB ASP 25 1HB ASP 25 2.398 -11.197 -4.640 191 H THR 26 H THR 26 4.665 -9.040 -2.741 192 HA THR 26 HA THR 26 6.284 -8.986 -5.270 193 HB THR 26 HB THR 26 7.603 -7.647 -3.110 194 HG1 THR 26 1HG THR 26 5.663 -7.258 -2.147 195 1HG2 THR 26 1HG2 THR 26 6.260 -6.598 -5.616 196 2HG2 THR 26 2HG2 THR 26 7.915 -7.196 -5.509 197 3HG2 THR 26 3HG2 THR 26 7.452 -5.726 -4.653 198 H GLY 27 H GLY 27 6.419 -9.605 -1.744 199 1HA GLY 27 2HA GLY 27 8.477 -11.703 -2.311 200 2HA GLY 27 1HA GLY 27 8.413 -10.785 -0.805 201 H HIS 28 H HIS 28 7.087 -11.515 0.834 202 HA HIS 28 HA HIS 28 5.232 -13.782 0.200 203 1HB HIS 28 2HB HIS 28 7.185 -13.537 2.512 204 2HB HIS 28 1HB HIS 28 6.104 -14.899 2.217 205 HD1 HIS 28 1HD HIS 28 9.271 -13.315 1.008 206 HD2 HIS 28 2HD HIS 28 6.862 -16.569 0.017 207 HE1 HIS 28 1HE HIS 28 10.609 -14.729 -0.611 208 H GLY 29 H GLY 29 3.389 -12.389 0.443 209 1HA GLY 29 2HA GLY 29 1.605 -11.688 1.859 210 2HA GLY 29 1HA GLY 29 2.686 -11.828 3.246 211 H THR 30 H THR 30 3.898 -10.107 0.510 212 HA THR 30 HA THR 30 3.487 -7.532 1.995 213 HB THR 30 HB THR 30 5.636 -6.883 0.984 214 HG1 THR 30 1HG THR 30 5.082 -9.115 -0.520 215 1HG2 THR 30 1HG2 THR 30 5.498 -8.315 3.102 216 2HG2 THR 30 2HG2 THR 30 7.045 -8.316 2.256 217 3HG2 THR 30 3HG2 THR 30 5.944 -9.681 2.079 218 H VAL 31 H VAL 31 1.791 -6.513 0.948 219 HA VAL 31 HA VAL 31 1.408 -6.771 -1.943 220 HB VAL 31 HB VAL 31 0.016 -5.168 0.222 221 1HG1 VAL 31 1HG1 VAL 31 -0.215 -4.390 -2.223 222 2HG1 VAL 31 2HG1 VAL 31 -1.708 -4.718 -1.345 223 3HG1 VAL 31 3HG1 VAL 31 -1.083 -5.901 -2.494 224 1HG2 VAL 31 1HG2 VAL 31 -1.073 -7.618 -1.139 225 2HG2 VAL 31 2HG2 VAL 31 -1.461 -6.967 0.453 226 3HG2 VAL 31 3HG2 VAL 31 0.070 -7.800 0.190 227 H VAL 32 H VAL 32 1.781 -5.100 -3.454 228 HA VAL 32 HA VAL 32 3.133 -2.642 -2.391 229 HB VAL 32 HB VAL 32 4.097 -3.057 -4.953 230 1HG1 VAL 32 1HG1 VAL 32 5.371 -2.438 -2.911 231 2HG1 VAL 32 2HG1 VAL 32 6.165 -3.723 -3.822 232 3HG1 VAL 32 3HG1 VAL 32 5.261 -4.109 -2.358 233 1HG2 VAL 32 1HG2 VAL 32 3.813 -5.737 -3.556 234 2HG2 VAL 32 2HG2 VAL 32 4.772 -5.441 -5.006 235 3HG2 VAL 32 3HG2 VAL 32 3.018 -5.269 -5.058 236 H ILE 33 H ILE 33 2.662 -0.695 -3.512 237 HA ILE 33 HA ILE 33 0.786 -0.760 -5.806 238 HB ILE 33 HB ILE 33 -0.567 -0.931 -3.716 239 1HG1 ILE 33 2HG1 ILE 33 -1.135 1.850 -4.523 240 2HG1 ILE 33 1HG1 ILE 33 -0.970 0.724 -5.872 241 1HG2 ILE 33 1HG2 ILE 33 1.341 0.991 -2.818 242 2HG2 ILE 33 2HG2 ILE 33 0.033 0.249 -1.897 243 3HG2 ILE 33 3HG2 ILE 33 -0.248 1.753 -2.773 244 1HD1 ILE 33 1HD1 ILE 33 -2.594 -0.183 -3.545 245 2HD1 ILE 33 2HD1 ILE 33 -2.823 -0.496 -5.265 246 3HD1 ILE 33 3HD1 ILE 33 -3.298 1.058 -4.581 247 H GLU 34 H GLU 34 0.504 1.488 -6.698 248 HA GLU 34 HA GLU 34 2.703 3.344 -5.856 249 1HB GLU 34 2HB GLU 34 3.219 1.904 -7.866 250 2HB GLU 34 1HB GLU 34 1.867 2.680 -8.693 251 1HG GLU 34 2HG GLU 34 3.401 4.215 -9.356 252 2HG GLU 34 1HG GLU 34 3.257 4.844 -7.714 253 H LEU 35 H LEU 35 1.388 4.946 -4.949 254 HA LEU 35 HA LEU 35 -0.750 6.090 -6.721 255 1HB LEU 35 2HB LEU 35 -0.643 6.476 -3.741 256 2HB LEU 35 1HB LEU 35 -2.051 6.425 -4.802 257 HG LEU 35 HG LEU 35 -1.293 3.941 -5.217 258 1HD1 LEU 35 1HD1 LEU 35 0.568 4.843 -3.234 259 2HD1 LEU 35 2HD1 LEU 35 0.449 3.247 -3.976 260 3HD1 LEU 35 3HD1 LEU 35 -0.464 3.608 -2.510 261 1HD2 LEU 35 1HD2 LEU 35 -2.955 3.297 -3.733 262 2HD2 LEU 35 2HD2 LEU 35 -3.297 5.024 -3.837 263 3HD2 LEU 35 3HD2 LEU 35 -2.390 4.385 -2.465 264 H SER 36 H SER 36 -0.593 8.328 -7.105 265 HA SER 36 HA SER 36 1.895 9.620 -6.231 266 1HB SER 36 2HB SER 36 -0.127 10.940 -7.978 267 2HB SER 36 1HB SER 36 1.626 10.892 -8.140 268 HG SER 36 HG SER 36 -0.163 9.384 -9.355 269 H TYR 37 H TYR 37 1.928 11.182 -4.644 270 HA TYR 37 HA TYR 37 -0.674 11.905 -3.426 271 1HB TYR 37 2HB TYR 37 0.981 11.248 -1.866 272 2HB TYR 37 1HB TYR 37 2.249 12.147 -2.700 273 HD1 TYR 37 1HD TYR 37 -1.185 13.045 -1.466 274 HD2 TYR 37 2HD TYR 37 3.022 13.910 -1.387 275 HE1 TYR 37 1HE TYR 37 -1.616 15.006 -0.012 276 HE2 TYR 37 2HE TYR 37 2.590 15.873 0.068 277 HH TYR 37 HH TYR 37 1.066 17.004 1.220 278 H SER 38 H SER 38 -1.580 13.482 -4.792 279 HA SER 38 HA SER 38 0.081 15.756 -5.660 280 1HB SER 38 2HB SER 38 -1.629 14.337 -7.040 281 2HB SER 38 1HB SER 38 -2.843 15.324 -6.232 282 HG SER 38 HG SER 38 -2.089 16.187 -8.258 283 H GLY 39 H GLY 39 0.131 16.313 -3.188 284 1HA GLY 39 2HA GLY 39 -2.298 17.931 -2.530 285 2HA GLY 39 1HA GLY 39 -1.305 17.141 -1.305 286 H SER 40 H SER 40 -1.963 20.097 -2.248 287 HA SER 40 HA SER 40 0.731 21.180 -2.701 288 1HB SER 40 2HB SER 40 -2.041 22.328 -2.291 289 2HB SER 40 1HB SER 40 -0.623 23.344 -2.538 290 HG SER 40 HG SER 40 -0.280 22.165 -4.503 291 H ASP 41 H ASP 41 -0.237 19.768 -0.064 292 HA ASP 41 HA ASP 41 0.288 21.974 1.871 293 1HB ASP 41 2HB ASP 41 -0.760 19.139 2.036 294 2HB ASP 41 1HB ASP 41 -0.381 20.083 3.477 295 H GLY 42 H GLY 42 2.059 19.740 0.139 296 1HA GLY 42 2HA GLY 42 4.365 19.227 0.375 297 2HA GLY 42 1HA GLY 42 4.339 19.990 1.965 298 HA PRO 43 HA PRO 43 4.519 15.527 2.809 299 1HB PRO 43 2HB PRO 43 6.080 15.779 5.044 300 2HB PRO 43 1HB PRO 43 6.746 15.705 3.400 301 1HG PRO 43 2HG PRO 43 6.319 18.052 5.165 302 2HG PRO 43 1HG PRO 43 7.628 17.722 4.024 303 1HD PRO 43 2HD PRO 43 5.536 19.421 3.514 304 2HD PRO 43 1HD PRO 43 6.475 18.588 2.256 305 H CYS 44 H CYS 44 3.387 14.371 4.456 306 HA CYS 44 HA CYS 44 2.366 15.662 6.867 307 1HB CYS 44 2HB CYS 44 1.020 15.950 4.332 308 2HB CYS 44 1HB CYS 44 0.013 15.004 5.426 309 H LYS 45 H LYS 45 0.960 14.124 8.081 310 HA LYS 45 HA LYS 45 1.747 11.345 7.681 311 1HB LYS 45 2HB LYS 45 -0.396 12.488 9.496 312 2HB LYS 45 1HB LYS 45 0.555 11.024 9.750 313 1HG LYS 45 2HG LYS 45 1.584 13.876 9.772 314 2HG LYS 45 1HG LYS 45 1.468 12.785 11.152 315 1HD LYS 45 2HD LYS 45 3.192 11.384 10.343 316 2HD LYS 45 1HD LYS 45 3.086 12.053 8.714 317 1HE LYS 45 2HE LYS 45 3.684 14.321 10.041 318 2HE LYS 45 1HE LYS 45 4.471 13.148 11.115 319 1HZ LYS 45 1HZ LYS 45 5.839 13.919 9.158 320 2HZ LYS 45 2HZ LYS 45 4.759 13.059 8.166 321 3HZ LYS 45 3HZ LYS 45 5.685 12.238 9.331 322 H ILE 46 H ILE 46 0.777 10.229 5.994 323 HA ILE 46 HA ILE 46 -1.819 10.932 4.916 324 HB ILE 46 HB ILE 46 -0.336 8.318 4.569 325 1HG1 ILE 46 2HG1 ILE 46 0.323 10.448 2.668 326 2HG1 ILE 46 1HG1 ILE 46 0.871 10.809 4.302 327 1HG2 ILE 46 1HG2 ILE 46 -1.378 8.252 2.459 328 2HG2 ILE 46 2HG2 ILE 46 -1.712 9.983 2.466 329 3HG2 ILE 46 3HG2 ILE 46 -2.640 8.902 3.504 330 1HD1 ILE 46 1HD1 ILE 46 2.606 9.412 3.971 331 2HD1 ILE 46 2HD1 ILE 46 1.957 8.921 2.407 332 3HD1 ILE 46 3HD1 ILE 46 1.455 8.080 3.873 333 HA PRO 47 HA PRO 47 -3.887 8.474 8.057 334 1HB PRO 47 2HB PRO 47 -6.282 9.766 7.838 335 2HB PRO 47 1HB PRO 47 -4.916 10.418 8.764 336 1HG PRO 47 2HG PRO 47 -5.984 11.254 6.153 337 2HG PRO 47 1HG PRO 47 -5.076 12.179 7.353 338 1HD PRO 47 2HD PRO 47 -4.084 11.049 4.958 339 2HD PRO 47 1HD PRO 47 -3.144 11.812 6.255 340 H ILE 48 H ILE 48 -4.029 6.487 6.863 341 HA ILE 48 HA ILE 48 -6.472 6.249 5.141 342 HB ILE 48 HB ILE 48 -3.678 5.158 4.693 343 1HG1 ILE 48 2HG1 ILE 48 -5.217 6.825 2.740 344 2HG1 ILE 48 1HG1 ILE 48 -4.486 7.630 4.128 345 1HG2 ILE 48 1HG2 ILE 48 -6.246 4.718 3.138 346 2HG2 ILE 48 2HG2 ILE 48 -5.339 3.493 4.026 347 3HG2 ILE 48 3HG2 ILE 48 -4.642 4.235 2.586 348 1HD1 ILE 48 1HD1 ILE 48 -2.297 6.880 3.532 349 2HD1 ILE 48 2HD1 ILE 48 -3.025 7.483 2.042 350 3HD1 ILE 48 3HD1 ILE 48 -2.935 5.747 2.340 351 H VAL 49 H VAL 49 -7.452 4.127 5.209 352 HA VAL 49 HA VAL 49 -6.464 2.385 7.444 353 HB VAL 49 HB VAL 49 -8.481 3.790 7.951 354 1HG1 VAL 49 1HG1 VAL 49 -9.214 3.416 5.410 355 2HG1 VAL 49 2HG1 VAL 49 -10.405 3.709 6.678 356 3HG1 VAL 49 3HG1 VAL 49 -10.096 2.064 6.123 357 1HG2 VAL 49 1HG2 VAL 49 -9.737 1.160 7.901 358 2HG2 VAL 49 2HG2 VAL 49 -9.186 2.106 9.283 359 3HG2 VAL 49 3HG2 VAL 49 -8.055 1.064 8.418 360 H SER 50 H SER 50 -5.692 0.564 6.428 361 HA SER 50 HA SER 50 -6.961 -0.408 3.933 362 1HB SER 50 2HB SER 50 -4.428 -0.740 5.443 363 2HB SER 50 1HB SER 50 -4.970 -2.163 4.558 364 HG SER 50 HG SER 50 -4.991 -0.957 2.685 365 H VAL 51 H VAL 51 -8.917 -1.403 4.521 366 HA VAL 51 HA VAL 51 -8.718 -3.624 6.534 367 HB VAL 51 HB VAL 51 -11.102 -1.902 5.783 368 1HG1 VAL 51 1HG1 VAL 51 -12.089 -2.853 7.827 369 2HG1 VAL 51 2HG1 VAL 51 -10.629 -3.802 8.101 370 3HG1 VAL 51 3HG1 VAL 51 -11.648 -4.138 6.701 371 1HG2 VAL 51 1HG2 VAL 51 -9.196 -1.729 8.139 372 2HG2 VAL 51 2HG2 VAL 51 -10.694 -0.810 7.988 373 3HG2 VAL 51 3HG2 VAL 51 -9.375 -0.536 6.852 374 H ALA 52 H ALA 52 -9.995 -5.531 6.024 375 HA ALA 52 HA ALA 52 -9.965 -6.355 3.288 376 1HB ALA 52 1HB ALA 52 -11.793 -7.985 4.520 377 2HB ALA 52 2HB ALA 52 -10.954 -7.303 5.914 378 3HB ALA 52 3HB ALA 52 -10.047 -8.176 4.679 379 H SER 53 H SER 53 -12.000 -6.909 1.992 380 HA SER 53 HA SER 53 -13.762 -4.607 1.874 381 1HB SER 53 2HB SER 53 -13.207 -5.827 -0.126 382 2HB SER 53 1HB SER 53 -13.709 -7.355 0.593 383 HG SER 53 HG SER 53 -15.572 -6.908 -0.265 384 H LEU 54 H LEU 54 -15.016 -4.386 3.755 385 HA LEU 54 HA LEU 54 -17.373 -5.940 4.055 386 1HB LEU 54 2HB LEU 54 -16.127 -7.859 4.563 387 2HB LEU 54 1HB LEU 54 -14.916 -6.950 5.468 388 HG LEU 54 HG LEU 54 -16.457 -6.581 7.292 389 1HD1 LEU 54 1HD1 LEU 54 -18.765 -7.223 7.228 390 2HD1 LEU 54 2HD1 LEU 54 -18.546 -8.103 5.715 391 3HD1 LEU 54 3HD1 LEU 54 -18.459 -6.342 5.732 392 1HD2 LEU 54 1HD2 LEU 54 -16.006 -8.648 8.072 393 2HD2 LEU 54 2HD2 LEU 54 -15.615 -9.149 6.427 394 3HD2 LEU 54 3HD2 LEU 54 -17.257 -9.342 7.041 395 H ASN 55 H ASN 55 -14.936 -4.845 6.467 396 HA ASN 55 HA ASN 55 -17.097 -3.404 7.904 397 1HB ASN 55 2HB ASN 55 -14.256 -4.261 8.403 398 2HB ASN 55 1HB ASN 55 -14.976 -3.014 9.425 399 1HD2 ASN 55 1HD2 ASN 55 -14.268 -5.945 10.011 400 2HD2 ASN 55 2HD2 ASN 55 -15.703 -6.602 10.637 401 H ASP 56 H ASP 56 -17.005 -1.124 8.274 402 HA ASP 56 HA ASP 56 -15.306 0.376 6.320 403 1HB ASP 56 2HB ASP 56 -17.056 2.138 6.701 404 2HB ASP 56 1HB ASP 56 -17.723 0.623 6.093 405 H MET 57 H MET 57 -15.887 -0.138 9.711 406 HA MET 57 HA MET 57 -13.968 2.081 10.353 407 1HB MET 57 2HB MET 57 -16.471 2.333 10.942 408 2HB MET 57 1HB MET 57 -16.182 1.080 12.150 409 1HG MET 57 2HG MET 57 -14.484 2.433 13.231 410 2HG MET 57 1HG MET 57 -14.579 3.644 11.954 411 1HE MET 57 1HE MET 57 -15.287 2.743 15.231 412 2HE MET 57 2HE MET 57 -16.745 1.837 14.834 413 3HE MET 57 3HE MET 57 -16.872 3.342 15.740 414 H THR 58 H THR 58 -13.464 -0.833 9.862 415 HA THR 58 HA THR 58 -12.387 -1.532 12.577 416 HB THR 58 HB THR 58 -13.445 -3.369 10.404 417 HG1 THR 58 1HG THR 58 -14.928 -1.954 11.698 418 1HG2 THR 58 1HG2 THR 58 -11.641 -4.250 11.959 419 2HG2 THR 58 2HG2 THR 58 -13.164 -5.140 11.993 420 3HG2 THR 58 3HG2 THR 58 -12.778 -4.003 13.284 421 HA PRO 59 HA PRO 59 -8.640 -1.393 10.140 422 1HB PRO 59 2HB PRO 59 -6.942 -1.862 12.236 423 2HB PRO 59 1HB PRO 59 -7.668 -0.273 11.919 424 1HG PRO 59 2HG PRO 59 -8.448 -2.348 13.903 425 2HG PRO 59 1HG PRO 59 -8.435 -0.585 14.058 426 1HD PRO 59 2HD PRO 59 -10.698 -2.048 13.617 427 2HD PRO 59 1HD PRO 59 -10.503 -0.356 13.107 428 H VAL 60 H VAL 60 -7.930 -3.143 8.974 429 HA VAL 60 HA VAL 60 -7.618 -5.761 10.385 430 HB VAL 60 HB VAL 60 -9.105 -5.057 7.858 431 1HG1 VAL 60 1HG1 VAL 60 -7.764 -7.623 8.633 432 2HG1 VAL 60 2HG1 VAL 60 -7.960 -6.901 7.035 433 3HG1 VAL 60 3HG1 VAL 60 -9.326 -7.700 7.815 434 1HG2 VAL 60 1HG2 VAL 60 -9.787 -5.782 10.561 435 2HG2 VAL 60 2HG2 VAL 60 -10.382 -7.025 9.460 436 3HG2 VAL 60 3HG2 VAL 60 -10.865 -5.344 9.236 437 H GLY 61 H GLY 61 -6.973 -3.984 7.388 438 1HA GLY 61 2HA GLY 61 -4.692 -5.658 6.691 439 2HA GLY 61 1HA GLY 61 -5.169 -4.167 5.873 440 H ARG 62 H ARG 62 -2.453 -4.807 6.577 441 HA ARG 62 HA ARG 62 -1.942 -2.605 8.550 442 1HB ARG 62 2HB ARG 62 -0.326 -5.151 8.291 443 2HB ARG 62 1HB ARG 62 -0.287 -3.974 9.605 444 1HG ARG 62 2HG ARG 62 -2.849 -4.576 9.813 445 2HG ARG 62 1HG ARG 62 -2.356 -6.056 8.990 446 1HD ARG 62 2HD ARG 62 -0.868 -5.044 11.424 447 2HD ARG 62 1HD ARG 62 -2.279 -6.112 11.565 448 HE ARG 62 HE ARG 62 -0.403 -7.099 9.592 449 1HH1 ARG 62 1HH2 ARG 62 1.125 -6.523 12.212 450 2HH1 ARG 62 2HH2 ARG 62 1.050 -8.080 12.968 451 1HH2 ARG 62 1HH1 ARG 62 -1.455 -9.264 10.882 452 2HH2 ARG 62 2HH1 ARG 62 -0.411 -9.633 12.214 453 H LEU 63 H LEU 63 0.066 -1.460 8.183 454 HA LEU 63 HA LEU 63 0.938 -1.516 5.346 455 1HB LEU 63 2HB LEU 63 1.312 0.364 7.695 456 2HB LEU 63 1HB LEU 63 2.073 0.632 6.125 457 HG LEU 63 HG LEU 63 -0.772 0.024 5.878 458 1HD1 LEU 63 1HD1 LEU 63 -0.059 2.632 7.236 459 2HD1 LEU 63 2HD1 LEU 63 -0.659 1.232 8.124 460 3HD1 LEU 63 3HD1 LEU 63 -1.669 1.995 6.897 461 1HD2 LEU 63 1HD2 LEU 63 1.251 1.433 4.529 462 2HD2 LEU 63 2HD2 LEU 63 0.102 2.667 5.046 463 3HD2 LEU 63 3HD2 LEU 63 -0.443 1.315 4.054 464 H VAL 64 H VAL 64 2.885 -2.420 4.773 465 HA VAL 64 HA VAL 64 4.578 -3.650 6.823 466 HB VAL 64 HB VAL 64 4.544 -3.449 3.808 467 1HG1 VAL 64 1HG1 VAL 64 6.783 -3.783 3.832 468 2HG1 VAL 64 2HG1 VAL 64 6.413 -5.396 4.441 469 3HG1 VAL 64 3HG1 VAL 64 6.799 -4.095 5.568 470 1HG2 VAL 64 1HG2 VAL 64 4.055 -5.589 5.883 471 2HG2 VAL 64 2HG2 VAL 64 4.378 -6.002 4.199 472 3HG2 VAL 64 3HG2 VAL 64 2.968 -5.026 4.614 473 H THR 65 H THR 65 4.735 -0.818 4.698 474 HA THR 65 HA THR 65 7.536 -0.235 5.313 475 HB THR 65 HB THR 65 6.289 0.360 3.203 476 HG1 THR 65 1HG THR 65 6.985 2.729 3.464 477 1HG2 THR 65 1HG2 THR 65 4.893 2.229 5.127 478 2HG2 THR 65 2HG2 THR 65 4.155 1.009 4.088 479 3HG2 THR 65 3HG2 THR 65 4.872 2.457 3.379 480 H VAL 66 H VAL 66 8.077 1.957 6.336 481 HA VAL 66 HA VAL 66 7.234 2.171 8.993 482 HB VAL 66 HB VAL 66 8.344 4.321 8.893 483 1HG1 VAL 66 1HG1 VAL 66 9.449 1.960 7.945 484 2HG1 VAL 66 2HG1 VAL 66 10.352 3.407 8.393 485 3HG1 VAL 66 3HG1 VAL 66 9.894 3.140 6.711 486 1HG2 VAL 66 1HG2 VAL 66 8.011 5.726 7.163 487 2HG2 VAL 66 2HG2 VAL 66 7.043 4.479 6.375 488 3HG2 VAL 66 3HG2 VAL 66 8.775 4.580 6.060 489 H ASN 67 H ASN 67 6.140 4.398 9.779 490 HA ASN 67 HA ASN 67 3.393 4.326 9.344 491 1HB ASN 67 2HB ASN 67 5.107 6.786 9.825 492 2HB ASN 67 1HB ASN 67 3.416 6.586 10.282 493 1HD2 ASN 67 1HD2 ASN 67 2.921 5.117 12.073 494 2HD2 ASN 67 2HD2 ASN 67 4.134 4.601 13.144 495 HA PRO 68 HA PRO 68 2.893 5.822 5.227 496 1HB PRO 68 2HB PRO 68 0.240 6.477 5.360 497 2HB PRO 68 1HB PRO 68 0.818 4.802 5.271 498 1HG PRO 68 2HG PRO 68 -0.130 6.352 7.623 499 2HG PRO 68 1HG PRO 68 -0.371 4.645 7.223 500 1HD PRO 68 2HD PRO 68 1.461 5.544 9.049 501 2HD PRO 68 1HD PRO 68 1.614 4.015 8.158 502 H PHE 69 H PHE 69 4.300 7.733 6.275 503 HA PHE 69 HA PHE 69 2.643 10.238 6.242 504 1HB PHE 69 2HB PHE 69 5.300 9.622 7.579 505 2HB PHE 69 1HB PHE 69 4.426 11.149 7.696 506 HD1 PHE 69 1HD PHE 69 1.659 9.490 7.648 507 HD2 PHE 69 2HD PHE 69 5.202 9.452 10.073 508 HE1 PHE 69 1HE PHE 69 0.346 8.592 9.550 509 HE2 PHE 69 2HE PHE 69 3.891 8.554 11.977 510 HZ PHE 69 HZ PHE 69 1.462 8.124 11.715 511 H VAL 70 H VAL 70 3.006 11.433 4.400 512 HA VAL 70 HA VAL 70 5.237 10.847 2.611 513 HB VAL 70 HB VAL 70 3.000 12.883 2.723 514 1HG1 VAL 70 1HG1 VAL 70 4.105 14.131 1.213 515 2HG1 VAL 70 2HG1 VAL 70 4.076 12.754 0.111 516 3HG1 VAL 70 3HG1 VAL 70 5.446 12.986 1.197 517 1HG2 VAL 70 1HG2 VAL 70 3.362 10.184 1.680 518 2HG2 VAL 70 2HG2 VAL 70 2.851 11.304 0.418 519 3HG2 VAL 70 3HG2 VAL 70 1.877 11.113 1.875 520 H ALA 71 H ALA 71 6.628 11.444 4.781 521 HA ALA 71 HA ALA 71 7.123 14.332 5.068 522 1HB ALA 71 1HB ALA 71 7.331 12.081 6.655 523 2HB ALA 71 2HB ALA 71 8.043 13.649 7.034 524 3HB ALA 71 3HB ALA 71 9.013 12.408 6.240 525 H THR 72 H THR 72 7.624 13.986 2.481 526 HA THR 72 HA THR 72 10.604 14.007 2.309 527 HB THR 72 HB THR 72 8.969 12.628 0.202 528 HG1 THR 72 1HG THR 72 9.773 11.560 2.701 529 1HG2 THR 72 1HG2 THR 72 10.992 11.889 -0.497 530 2HG2 THR 72 2HG2 THR 72 11.505 11.487 1.141 531 3HG2 THR 72 3HG2 THR 72 11.658 13.142 0.551 532 H SER 73 H SER 73 11.320 15.012 0.202 533 HA SER 73 HA SER 73 9.512 17.258 -0.514 534 1HB SER 73 2HB SER 73 11.951 17.485 0.173 535 2HB SER 73 1HB SER 73 12.374 16.695 -1.343 536 HG SER 73 HG SER 73 11.241 19.214 -0.868 537 H SER 74 H SER 74 10.189 14.167 -1.642 538 HA SER 74 HA SER 74 9.529 14.940 -4.466 539 1HB SER 74 2HB SER 74 11.597 13.954 -4.685 540 2HB SER 74 1HB SER 74 11.428 13.036 -3.192 541 HG SER 74 HG SER 74 10.403 12.492 -5.764 542 H ALA 75 H ALA 75 8.068 13.822 -1.784 543 HA ALA 75 HA ALA 75 6.763 11.403 -2.759 544 1HB ALA 75 1HB ALA 75 7.153 12.006 -0.366 545 2HB ALA 75 2HB ALA 75 5.453 11.678 -0.705 546 3HB ALA 75 3HB ALA 75 6.015 13.342 -0.546 547 H ASN 76 H ASN 76 6.543 14.397 -3.977 548 HA ASN 76 HA ASN 76 3.632 14.679 -4.098 549 1HB ASN 76 2HB ASN 76 5.973 16.143 -5.355 550 2HB ASN 76 1HB ASN 76 4.292 16.657 -5.507 551 1HD2 ASN 76 1HD2 ASN 76 6.996 16.356 -3.238 552 2HD2 ASN 76 2HD2 ASN 76 6.291 17.280 -2.002 553 H SER 77 H SER 77 5.322 12.369 -5.329 554 HA SER 77 HA SER 77 4.114 12.562 -8.058 555 1HB SER 77 2HB SER 77 6.176 11.218 -8.733 556 2HB SER 77 1HB SER 77 6.493 12.881 -8.246 557 HG SER 77 HG SER 77 6.911 10.478 -6.825 558 H LYS 78 H LYS 78 4.447 10.037 -8.942 559 HA LYS 78 HA LYS 78 2.546 8.480 -7.474 560 1HB LYS 78 2HB LYS 78 4.667 7.635 -9.479 561 2HB LYS 78 1HB LYS 78 3.195 6.743 -9.093 562 1HG LYS 78 2HG LYS 78 1.828 8.235 -10.213 563 2HG LYS 78 1HG LYS 78 2.925 9.593 -9.959 564 1HD LYS 78 2HD LYS 78 4.193 9.093 -11.802 565 2HD LYS 78 1HD LYS 78 3.961 7.354 -11.618 566 1HE LYS 78 2HE LYS 78 2.381 7.443 -13.238 567 2HE LYS 78 1HE LYS 78 1.401 8.479 -12.182 568 1HZ LYS 78 1HZ LYS 78 3.423 9.275 -14.184 569 2HZ LYS 78 2HZ LYS 78 3.018 10.309 -12.899 570 3HZ LYS 78 3HZ LYS 78 1.829 9.828 -14.013 571 H VAL 79 H VAL 79 3.386 8.419 -5.271 572 HA VAL 79 HA VAL 79 6.009 7.330 -4.687 573 HB VAL 79 HB VAL 79 5.063 7.409 -2.365 574 1HG1 VAL 79 1HG1 VAL 79 5.255 9.704 -2.259 575 2HG1 VAL 79 2HG1 VAL 79 4.200 9.958 -3.649 576 3HG1 VAL 79 3HG1 VAL 79 5.872 9.451 -3.892 577 1HG2 VAL 79 1HG2 VAL 79 2.685 6.893 -3.403 578 2HG2 VAL 79 2HG2 VAL 79 2.588 8.651 -3.508 579 3HG2 VAL 79 3HG2 VAL 79 2.823 7.872 -1.944 580 H LEU 80 H LEU 80 6.035 5.293 -3.128 581 HA LEU 80 HA LEU 80 4.111 3.245 -4.188 582 1HB LEU 80 2HB LEU 80 6.563 3.323 -5.029 583 2HB LEU 80 1HB LEU 80 6.983 2.714 -3.429 584 HG LEU 80 HG LEU 80 4.832 1.360 -5.039 585 1HD1 LEU 80 1HD1 LEU 80 7.519 0.166 -5.189 586 2HD1 LEU 80 2HD1 LEU 80 7.364 1.688 -6.067 587 3HD1 LEU 80 3HD1 LEU 80 6.294 0.340 -6.445 588 1HD2 LEU 80 1HD2 LEU 80 5.771 -0.606 -3.728 589 2HD2 LEU 80 2HD2 LEU 80 5.019 0.652 -2.747 590 3HD2 LEU 80 3HD2 LEU 80 6.777 0.553 -2.860 591 H VAL 81 H VAL 81 2.971 2.265 -2.582 592 HA VAL 81 HA VAL 81 4.154 2.187 0.176 593 HB VAL 81 HB VAL 81 1.204 2.132 -0.339 594 1HG1 VAL 81 1HG1 VAL 81 1.744 2.012 1.939 595 2HG1 VAL 81 2HG1 VAL 81 1.446 3.736 1.710 596 3HG1 VAL 81 3HG1 VAL 81 3.100 3.126 1.775 597 1HG2 VAL 81 1HG2 VAL 81 3.034 4.484 -0.797 598 2HG2 VAL 81 2HG2 VAL 81 1.389 4.735 -0.214 599 3HG2 VAL 81 3HG2 VAL 81 1.663 3.947 -1.767 600 H GLU 82 H GLU 82 3.243 0.310 1.483 601 HA GLU 82 HA GLU 82 2.250 -1.968 -0.157 602 1HB GLU 82 2HB GLU 82 4.139 -3.330 0.977 603 2HB GLU 82 1HB GLU 82 4.597 -2.259 -0.347 604 1HG GLU 82 2HG GLU 82 4.576 -0.944 2.284 605 2HG GLU 82 1HG GLU 82 5.756 -2.249 2.150 606 H MET 83 H MET 83 1.467 -3.754 1.226 607 HA MET 83 HA MET 83 1.253 -3.271 4.131 608 1HB MET 83 2HB MET 83 -1.273 -3.285 3.942 609 2HB MET 83 1HB MET 83 -0.505 -1.853 3.255 610 1HG MET 83 2HG MET 83 -0.637 -2.832 1.009 611 2HG MET 83 1HG MET 83 -1.357 -4.297 1.676 612 1HE MET 83 1HE MET 83 -1.722 -0.878 0.348 613 2HE MET 83 2HE MET 83 -3.455 -0.839 0.031 614 3HE MET 83 3HE MET 83 -2.474 -2.143 -0.633 615 H GLU 84 H GLU 84 0.289 -5.174 5.225 616 HA GLU 84 HA GLU 84 0.395 -7.615 3.539 617 1HB GLU 84 2HB GLU 84 0.888 -8.561 5.961 618 2HB GLU 84 1HB GLU 84 2.171 -7.803 5.024 619 1HG GLU 84 2HG GLU 84 2.101 -5.837 6.283 620 2HG GLU 84 1HG GLU 84 0.441 -6.117 6.812 621 HA PRO 85 HA PRO 85 -3.824 -7.122 5.582 622 1HB PRO 85 2HB PRO 85 -5.298 -6.917 3.283 623 2HB PRO 85 1HB PRO 85 -4.629 -5.507 4.131 624 1HG PRO 85 2HG PRO 85 -3.609 -6.921 1.716 625 2HG PRO 85 1HG PRO 85 -3.657 -5.187 2.072 626 1HD PRO 85 2HD PRO 85 -1.402 -6.689 2.304 627 2HD PRO 85 1HD PRO 85 -1.722 -5.250 3.298 628 HA PRO 86 HA PRO 86 -4.818 -11.329 4.818 629 1HB PRO 86 2HB PRO 86 -7.558 -11.350 4.833 630 2HB PRO 86 1HB PRO 86 -6.585 -11.131 6.300 631 1HG PRO 86 2HG PRO 86 -7.973 -9.091 4.631 632 2HG PRO 86 1HG PRO 86 -7.832 -9.200 6.392 633 1HD PRO 86 2HD PRO 86 -6.318 -7.517 4.894 634 2HD PRO 86 1HD PRO 86 -5.749 -8.232 6.420 635 H PHE 87 H PHE 87 -5.772 -12.832 3.204 636 HA PHE 87 HA PHE 87 -5.641 -11.764 0.496 637 1HB PHE 87 2HB PHE 87 -6.480 -14.274 0.138 638 2HB PHE 87 1HB PHE 87 -4.828 -13.933 0.648 639 HD1 PHE 87 1HD PHE 87 -4.007 -15.001 2.546 640 HD2 PHE 87 2HD PHE 87 -8.243 -14.435 2.124 641 HE1 PHE 87 1HE PHE 87 -4.382 -16.254 4.649 642 HE2 PHE 87 2HE PHE 87 -8.620 -15.689 4.227 643 HZ PHE 87 HZ PHE 87 -6.691 -16.602 5.492 644 H GLY 88 H GLY 88 -7.361 -11.480 -0.966 645 1HA GLY 88 2HA GLY 88 -9.763 -12.024 -1.504 646 2HA GLY 88 1HA GLY 88 -10.108 -11.722 0.201 647 H ASP 89 H ASP 89 -11.622 -10.210 -1.321 648 HA ASP 89 HA ASP 89 -10.462 -7.777 -2.335 649 1HB ASP 89 2HB ASP 89 -12.810 -8.992 -2.602 650 2HB ASP 89 1HB ASP 89 -13.254 -7.945 -1.254 651 H SER 90 H SER 90 -9.815 -5.972 -1.215 652 HA SER 90 HA SER 90 -10.575 -5.780 1.681 653 1HB SER 90 2HB SER 90 -8.120 -4.470 0.641 654 2HB SER 90 1HB SER 90 -8.371 -5.339 2.151 655 HG SER 90 HG SER 90 -7.606 -7.041 1.205 656 H TYR 91 H TYR 91 -11.346 -3.773 2.384 657 HA TYR 91 HA TYR 91 -11.929 -1.773 0.268 658 1HB TYR 91 2HB TYR 91 -12.915 -2.497 3.001 659 2HB TYR 91 1HB TYR 91 -13.165 -0.841 2.447 660 HD1 TYR 91 1HD TYR 91 -12.941 -3.304 -0.180 661 HD2 TYR 91 2HD TYR 91 -15.652 -1.432 2.578 662 HE1 TYR 91 1HE TYR 91 -14.862 -4.053 -1.559 663 HE2 TYR 91 2HE TYR 91 -17.571 -2.181 1.200 664 HH TYR 91 HH TYR 91 -18.098 -3.893 -0.445 665 H ILE 92 H ILE 92 -10.119 -0.462 -0.031 666 HA ILE 92 HA ILE 92 -8.628 0.484 2.367 667 HB ILE 92 HB ILE 92 -8.018 1.098 -0.525 668 1HG1 ILE 92 2HG1 ILE 92 -8.351 -1.251 -0.647 669 2HG1 ILE 92 1HG1 ILE 92 -6.616 -1.065 -0.396 670 1HG2 ILE 92 1HG2 ILE 92 -6.291 2.070 0.568 671 2HG2 ILE 92 2HG2 ILE 92 -5.702 0.429 0.833 672 3HG2 ILE 92 3HG2 ILE 92 -6.666 1.233 2.073 673 1HD1 ILE 92 1HD1 ILE 92 -7.390 -1.154 2.174 674 2HD1 ILE 92 2HD1 ILE 92 -7.027 -2.614 1.253 675 3HD1 ILE 92 3HD1 ILE 92 -8.700 -2.099 1.465 676 H VAL 93 H VAL 93 -9.103 2.502 3.187 677 HA VAL 93 HA VAL 93 -10.424 4.472 1.345 678 HB VAL 93 HB VAL 93 -10.859 4.087 4.319 679 1HG1 VAL 93 1HG1 VAL 93 -11.356 6.343 3.320 680 2HG1 VAL 93 2HG1 VAL 93 -12.771 5.538 3.996 681 3HG1 VAL 93 3HG1 VAL 93 -12.517 5.557 2.251 682 1HG2 VAL 93 1HG2 VAL 93 -13.142 3.389 2.742 683 2HG2 VAL 93 2HG2 VAL 93 -12.206 2.350 3.816 684 3HG2 VAL 93 3HG2 VAL 93 -11.757 2.494 2.117 685 H VAL 94 H VAL 94 -9.237 6.317 1.115 686 HA VAL 94 HA VAL 94 -7.164 6.954 3.178 687 HB VAL 94 HB VAL 94 -7.536 7.778 0.278 688 1HG1 VAL 94 1HG1 VAL 94 -5.976 9.359 0.633 689 2HG1 VAL 94 2HG1 VAL 94 -4.877 8.151 1.300 690 3HG1 VAL 94 3HG1 VAL 94 -6.017 8.986 2.357 691 1HG2 VAL 94 1HG2 VAL 94 -5.136 6.286 0.928 692 2HG2 VAL 94 2HG2 VAL 94 -6.388 5.909 -0.256 693 3HG2 VAL 94 3HG2 VAL 94 -6.573 5.387 1.419 694 H GLY 95 H GLY 95 -8.188 8.321 4.658 695 1HA GLY 95 2HA GLY 95 -9.350 10.825 3.533 696 2HA GLY 95 1HA GLY 95 -10.276 9.918 4.729 697 H MET 96 H MET 96 -9.282 12.621 5.047 698 HA MET 96 HA MET 96 -7.203 12.248 7.174 699 1HB MET 96 2HB MET 96 -6.645 13.709 5.258 700 2HB MET 96 1HB MET 96 -8.075 14.687 5.588 701 1HG MET 96 2HG MET 96 -6.927 14.732 8.035 702 2HG MET 96 1HG MET 96 -5.483 14.577 7.034 703 1HE MET 96 1HE MET 96 -5.943 15.558 4.597 704 2HE MET 96 2HE MET 96 -5.994 17.308 4.406 705 3HE MET 96 3HE MET 96 -7.495 16.385 4.404 706 H GLY 97 H GLY 97 -9.763 14.677 6.561 707 1HA GLY 97 2HA GLY 97 -11.207 13.975 8.993 708 2HA GLY 97 1HA GLY 97 -10.270 15.460 9.164 709 H ASP 98 H ASP 98 -11.654 14.524 6.082 710 HA ASP 98 HA ASP 98 -14.035 16.220 6.410 711 1HB ASP 98 2HB ASP 98 -11.560 17.355 5.722 712 2HB ASP 98 1HB ASP 98 -12.443 17.240 4.199 713 H LYS 99 H LYS 99 -11.834 14.844 3.936 714 HA LYS 99 HA LYS 99 -14.229 13.679 2.606 715 1HB LYS 99 2HB LYS 99 -11.713 14.885 1.420 716 2HB LYS 99 1HB LYS 99 -12.983 14.101 0.477 717 1HG LYS 99 2HG LYS 99 -14.358 15.919 2.090 718 2HG LYS 99 1HG LYS 99 -12.910 16.794 1.590 719 1HD LYS 99 2HD LYS 99 -14.048 15.279 -0.619 720 2HD LYS 99 1HD LYS 99 -15.220 16.409 0.060 721 1HE LYS 99 2HE LYS 99 -12.523 17.561 -0.232 722 2HE LYS 99 1HE LYS 99 -13.286 17.111 -1.770 723 1HZ LYS 99 1HZ LYS 99 -14.444 18.799 0.382 724 2HZ LYS 99 2HZ LYS 99 -15.340 18.206 -0.935 725 3HZ LYS 99 3HZ LYS 99 -14.052 19.282 -1.196 726 H GLN 100 H GLN 100 -13.924 11.555 1.723 727 HA GLN 100 HA GLN 100 -11.284 10.266 2.255 728 1HB GLN 100 2HB GLN 100 -13.112 8.332 2.974 729 2HB GLN 100 1HB GLN 100 -12.254 9.372 4.106 730 1HG GLN 100 2HG GLN 100 -14.657 9.451 4.569 731 2HG GLN 100 1HG GLN 100 -14.116 11.018 3.969 732 1HE2 GLN 100 1HE2 GLN 100 -14.532 8.200 1.850 733 2HE2 GLN 100 2HE2 GLN 100 -15.854 8.827 0.993 734 H ILE 101 H ILE 101 -10.837 8.503 0.871 735 HA ILE 101 HA ILE 101 -12.815 8.030 -1.336 736 HB ILE 101 HB ILE 101 -10.782 9.501 -1.821 737 1HG1 ILE 101 2HG1 ILE 101 -12.061 8.232 -3.565 738 2HG1 ILE 101 1HG1 ILE 101 -10.357 8.440 -3.972 739 1HG2 ILE 101 1HG2 ILE 101 -9.229 6.922 -1.817 740 2HG2 ILE 101 2HG2 ILE 101 -9.331 7.901 -0.354 741 3HG2 ILE 101 3HG2 ILE 101 -8.624 8.579 -1.821 742 1HD1 ILE 101 1HD1 ILE 101 -11.841 5.966 -3.237 743 2HD1 ILE 101 2HD1 ILE 101 -10.188 6.108 -2.639 744 3HD1 ILE 101 3HD1 ILE 101 -10.508 6.184 -4.371 745 H ASN 102 H ASN 102 -13.385 5.881 -1.414 746 HA ASN 102 HA ASN 102 -11.525 3.898 -0.154 747 1HB ASN 102 2HB ASN 102 -13.607 2.587 0.165 748 2HB ASN 102 1HB ASN 102 -13.738 4.192 0.884 749 1HD2 ASN 102 1HD2 ASN 102 -15.896 2.364 -0.266 750 2HD2 ASN 102 2HD2 ASN 102 -16.698 3.323 -1.415 751 H HIS 103 H HIS 103 -10.725 2.258 -1.413 752 HA HIS 103 HA HIS 103 -11.898 1.877 -4.147 753 1HB HIS 103 2HB HIS 103 -9.160 2.487 -3.183 754 2HB HIS 103 1HB HIS 103 -9.260 1.253 -4.441 755 HD1 HIS 103 1HD HIS 103 -11.958 3.747 -4.535 756 HD2 HIS 103 2HD HIS 103 -8.173 3.328 -6.228 757 HE1 HIS 103 1HE HIS 103 -11.832 5.421 -6.425 758 H HIS 104 H HIS 104 -12.586 -0.196 -4.405 759 HA HIS 104 HA HIS 104 -11.947 -2.273 -2.451 760 1HB HIS 104 2HB HIS 104 -13.331 -2.634 -5.109 761 2HB HIS 104 1HB HIS 104 -13.649 -3.462 -3.586 762 HD1 HIS 104 1HD HIS 104 -14.129 -1.336 -1.600 763 HD2 HIS 104 2HD HIS 104 -15.438 -0.911 -5.535 764 HE1 HIS 104 1HE HIS 104 -15.977 0.395 -1.558 765 H TRP 105 H TRP 105 -9.736 -2.844 -2.655 766 HA TRP 105 HA TRP 105 -8.672 -3.518 -5.320 767 1HB TRP 105 2HB TRP 105 -7.612 -3.047 -2.556 768 2HB TRP 105 1HB TRP 105 -6.612 -3.922 -3.715 769 HD1 TRP 105 HD TRP 105 -6.800 -0.641 -2.513 770 HE1 TRP 105 1HE TRP 105 -6.215 1.139 -4.284 771 HE3 TRP 105 3HE TRP 105 -7.281 -3.430 -6.765 772 HZ2 TRP 105 2HZ TRP 105 -5.982 1.354 -7.126 773 HZ3 TRP 105 3HZ TRP 105 -6.872 -2.413 -8.989 774 HH2 TRP 105 HH TRP 105 -6.224 -0.027 -9.174 775 H HIS 106 H HIS 106 -7.563 -5.631 -5.609 776 HA HIS 106 HA HIS 106 -8.322 -7.795 -3.726 777 1HB HIS 106 2HB HIS 106 -9.329 -9.048 -5.690 778 2HB HIS 106 1HB HIS 106 -10.248 -7.633 -5.177 779 HD1 HIS 106 1HD HIS 106 -9.923 -5.426 -6.650 780 HD2 HIS 106 2HD HIS 106 -8.354 -8.914 -8.308 781 HE1 HIS 106 1HE HIS 106 -9.500 -4.928 -9.096 782 H LYS 107 H LYS 107 -6.736 -9.380 -3.716 783 HA LYS 107 HA LYS 107 -4.479 -9.053 -5.630 784 1HB LYS 107 2HB LYS 107 -4.144 -9.036 -3.155 785 2HB LYS 107 1HB LYS 107 -4.766 -10.685 -3.087 786 1HG LYS 107 2HG LYS 107 -2.949 -11.338 -4.722 787 2HG LYS 107 1HG LYS 107 -2.268 -9.725 -4.506 788 1HD LYS 107 2HD LYS 107 -1.196 -10.476 -2.675 789 2HD LYS 107 1HD LYS 107 -2.765 -10.717 -1.907 790 1HE LYS 107 2HE LYS 107 -2.179 -12.860 -3.797 791 2HE LYS 107 1HE LYS 107 -0.938 -12.736 -2.534 792 1HZ LYS 107 1HZ LYS 107 -3.705 -12.379 -1.696 793 2HZ LYS 107 2HZ LYS 107 -2.418 -13.146 -0.893 794 3HZ LYS 107 3HZ LYS 107 -3.255 -13.955 -2.131 795 H ALA 108 H ALA 108 -7.226 -11.011 -5.191 796 HA ALA 108 HA ALA 108 -5.963 -13.388 -6.474 797 1HB ALA 108 1HB ALA 108 -7.331 -14.364 -4.960 798 2HB ALA 108 2HB ALA 108 -8.689 -13.835 -5.953 799 3HB ALA 108 3HB ALA 108 -8.129 -12.829 -4.618 800 H GLY 109 H GLY 109 -6.209 -13.673 -8.651 801 1HA GLY 109 2HA GLY 109 -8.069 -11.906 -10.124 802 2HA GLY 109 1HA GLY 109 -6.830 -12.936 -10.846 803 H SER 110 H SER 110 -10.129 -12.784 -9.762 804 HA SER 110 HA SER 110 -10.524 -15.653 -10.535 805 1HB SER 110 2HB SER 110 -11.913 -13.714 -8.690 806 2HB SER 110 1HB SER 110 -12.736 -15.169 -9.245 807 HG SER 110 HG SER 110 -11.343 -15.169 -7.210 808 H THR 111 H THR 111 -12.616 -12.743 -10.497 809 HA THR 111 HA THR 111 -12.950 -12.709 -13.388 810 HB THR 111 HB THR 111 -14.160 -14.752 -12.925 811 HG1 THR 111 1HG THR 111 -15.168 -13.068 -14.257 812 1HG2 THR 111 1HG2 THR 111 -16.280 -14.094 -11.266 813 2HG2 THR 111 2HG2 THR 111 -14.913 -13.269 -10.517 814 3HG2 THR 111 3HG2 THR 111 -14.850 -15.011 -10.789 Start of MODEL 9 1 1H ASP 1 1HT ASP 1 21.552 6.421 5.015 2 2H ASP 1 2HT ASP 1 22.453 6.093 3.613 3 3H ASP 1 3HT ASP 1 22.581 5.073 4.965 4 HA ASP 1 HA ASP 1 20.102 5.446 3.358 5 1HB ASP 1 2HB ASP 1 20.712 3.270 2.417 6 2HB ASP 1 1HB ASP 1 22.049 4.397 2.182 7 H LYS 2 H LYS 2 19.883 5.749 6.079 8 HA LYS 2 HA LYS 2 18.882 3.066 6.976 9 1HB LYS 2 2HB LYS 2 21.035 3.883 8.038 10 2HB LYS 2 1HB LYS 2 20.117 5.237 8.697 11 1HG LYS 2 2HG LYS 2 19.486 3.933 10.417 12 2HG LYS 2 1HG LYS 2 18.634 2.889 9.278 13 1HD LYS 2 2HD LYS 2 21.059 1.928 8.835 14 2HD LYS 2 1HD LYS 2 21.378 2.580 10.442 15 1HE LYS 2 2HE LYS 2 18.850 1.051 10.210 16 2HE LYS 2 1HE LYS 2 20.334 0.094 10.029 17 1HZ LYS 2 1HZ LYS 2 21.205 1.124 12.033 18 2HZ LYS 2 2HZ LYS 2 19.736 0.340 12.367 19 3HZ LYS 2 3HZ LYS 2 19.784 2.031 12.216 20 H LEU 3 H LEU 3 16.957 3.160 8.288 21 HA LEU 3 HA LEU 3 15.391 5.680 7.929 22 1HB LEU 3 2HB LEU 3 14.813 2.745 8.189 23 2HB LEU 3 1HB LEU 3 13.552 3.904 8.616 24 HG LEU 3 HG LEU 3 15.004 4.326 6.041 25 1HD1 LEU 3 1HD1 LEU 3 14.388 2.362 5.132 26 2HD1 LEU 3 2HD1 LEU 3 12.706 2.702 5.539 27 3HD1 LEU 3 3HD1 LEU 3 13.734 1.846 6.687 28 1HD2 LEU 3 1HD2 LEU 3 12.292 4.617 5.653 29 2HD2 LEU 3 2HD2 LEU 3 13.383 5.921 6.125 30 3HD2 LEU 3 3HD2 LEU 3 12.465 5.050 7.355 31 H ALA 4 H ALA 4 14.669 6.803 9.732 32 HA ALA 4 HA ALA 4 15.272 5.601 12.417 33 1HB ALA 4 1HB ALA 4 15.179 8.550 11.795 34 2HB ALA 4 2HB ALA 4 16.624 7.606 11.430 35 3HB ALA 4 3HB ALA 4 16.044 7.726 13.092 36 H LEU 5 H LEU 5 13.646 5.787 13.985 37 HA LEU 5 HA LEU 5 10.964 6.591 12.996 38 1HB LEU 5 2HB LEU 5 11.620 4.401 14.197 39 2HB LEU 5 1HB LEU 5 11.710 5.378 15.662 40 HG LEU 5 HG LEU 5 9.299 6.165 14.581 41 1HD1 LEU 5 1HD1 LEU 5 8.564 3.453 14.465 42 2HD1 LEU 5 2HD1 LEU 5 10.010 3.584 13.464 43 3HD1 LEU 5 3HD1 LEU 5 8.606 4.594 13.121 44 1HD2 LEU 5 1HD2 LEU 5 10.277 4.929 16.895 45 2HD2 LEU 5 2HD2 LEU 5 9.003 3.851 16.325 46 3HD2 LEU 5 3HD2 LEU 5 8.642 5.545 16.653 47 H LYS 6 H LYS 6 11.625 8.955 13.088 48 HA LYS 6 HA LYS 6 11.875 10.068 15.836 49 1HB LYS 6 2HB LYS 6 12.589 12.053 14.682 50 2HB LYS 6 1HB LYS 6 13.336 10.697 13.838 51 1HG LYS 6 2HG LYS 6 10.867 10.957 12.586 52 2HG LYS 6 1HG LYS 6 11.368 12.626 12.864 53 1HD LYS 6 2HD LYS 6 13.056 10.487 11.529 54 2HD LYS 6 1HD LYS 6 12.212 11.792 10.695 55 1HE LYS 6 2HE LYS 6 13.769 12.940 12.820 56 2HE LYS 6 1HE LYS 6 14.813 11.890 11.842 57 1HZ LYS 6 1HZ LYS 6 12.862 13.706 10.572 58 2HZ LYS 6 2HZ LYS 6 14.248 12.995 9.895 59 3HZ LYS 6 3HZ LYS 6 14.401 14.266 11.012 60 H GLY 7 H GLY 7 10.417 11.840 16.478 61 1HA GLY 7 2HA GLY 7 7.744 11.640 15.146 62 2HA GLY 7 1HA GLY 7 7.946 11.885 16.882 63 H THR 8 H THR 8 8.252 13.422 13.723 64 HA THR 8 HA THR 8 9.109 16.002 14.769 65 HB THR 8 HB THR 8 7.792 16.138 12.213 66 HG1 THR 8 1HG THR 8 8.601 14.408 11.207 67 1HG2 THR 8 1HG2 THR 8 10.720 16.008 12.985 68 2HG2 THR 8 2HG2 THR 8 9.740 17.473 12.924 69 3HG2 THR 8 3HG2 THR 8 10.091 16.583 11.441 70 H THR 9 H THR 9 7.788 17.870 15.053 71 HA THR 9 HA THR 9 5.021 17.334 15.847 72 HB THR 9 HB THR 9 5.129 19.730 16.491 73 HG1 THR 9 1HG THR 9 6.796 20.957 15.871 74 1HG2 THR 9 1HG2 THR 9 6.643 17.621 17.511 75 2HG2 THR 9 2HG2 THR 9 6.298 19.145 18.327 76 3HG2 THR 9 3HG2 THR 9 7.786 18.959 17.400 77 H TYR 10 H TYR 10 3.765 16.912 13.991 78 HA TYR 10 HA TYR 10 3.214 19.251 12.262 79 1HB TYR 10 2HB TYR 10 4.748 16.844 11.509 80 2HB TYR 10 1HB TYR 10 3.451 17.254 10.387 81 HD1 TYR 10 1HD TYR 10 3.264 20.002 10.106 82 HD2 TYR 10 2HD TYR 10 6.818 17.739 10.942 83 HE1 TYR 10 1HE TYR 10 4.650 21.834 9.173 84 HE2 TYR 10 2HE TYR 10 8.204 19.570 10.008 85 HH TYR 10 HH TYR 10 7.803 21.481 8.284 86 H GLY 11 H GLY 11 1.188 18.955 11.060 87 1HA GLY 11 2HA GLY 11 -0.643 17.098 12.457 88 2HA GLY 11 1HA GLY 11 -1.127 18.410 11.381 89 H MET 12 H MET 12 -1.653 15.369 11.452 90 HA MET 12 HA MET 12 -0.452 14.275 9.053 91 1HB MET 12 2HB MET 12 -2.971 13.533 10.580 92 2HB MET 12 1HB MET 12 -2.051 12.480 9.512 93 1HG MET 12 2HG MET 12 -0.186 12.426 10.990 94 2HG MET 12 1HG MET 12 -0.802 13.784 11.931 95 1HE MET 12 1HE MET 12 -0.604 9.852 13.016 96 2HE MET 12 2HE MET 12 -0.117 10.565 11.480 97 3HE MET 12 3HE MET 12 -1.565 9.565 11.558 98 H CYS 13 H CYS 13 -0.940 15.290 7.092 99 HA CYS 13 HA CYS 13 -3.812 15.496 6.373 100 1HB CYS 13 2HB CYS 13 -3.710 17.826 5.945 101 2HB CYS 13 1HB CYS 13 -2.866 17.630 7.477 102 H THR 14 H THR 14 -3.751 14.156 4.577 103 HA THR 14 HA THR 14 -2.238 15.072 2.237 104 HB THR 14 HB THR 14 -1.677 12.281 3.225 105 HG1 THR 14 1HG THR 14 0.361 13.878 3.735 106 1HG2 THR 14 1HG2 THR 14 0.305 13.943 1.777 107 2HG2 THR 14 2HG2 THR 14 -1.138 13.496 0.868 108 3HG2 THR 14 3HG2 THR 14 -0.112 12.243 1.562 109 H GLU 15 H GLU 15 -4.954 14.930 2.393 110 HA GLU 15 HA GLU 15 -6.021 12.342 1.598 111 1HB GLU 15 2HB GLU 15 -8.076 13.554 1.468 112 2HB GLU 15 1HB GLU 15 -7.167 14.323 2.768 113 1HG GLU 15 2HG GLU 15 -6.439 16.101 1.282 114 2HG GLU 15 1HG GLU 15 -7.182 15.298 -0.101 115 H LYS 16 H LYS 16 -3.963 14.314 -0.031 116 HA LYS 16 HA LYS 16 -5.316 14.206 -2.666 117 1HB LYS 16 2HB LYS 16 -2.488 15.099 -2.199 118 2HB LYS 16 1HB LYS 16 -3.696 15.766 -3.295 119 1HG LYS 16 2HG LYS 16 -4.964 16.318 -1.029 120 2HG LYS 16 1HG LYS 16 -3.334 16.235 -0.359 121 1HD LYS 16 2HD LYS 16 -2.685 18.158 -1.377 122 2HD LYS 16 1HD LYS 16 -3.529 17.760 -2.874 123 1HE LYS 16 2HE LYS 16 -4.579 19.730 -1.847 124 2HE LYS 16 1HE LYS 16 -5.698 18.355 -1.738 125 1HZ LYS 16 1HZ LYS 16 -4.938 19.790 0.379 126 2HZ LYS 16 2HZ LYS 16 -3.748 18.577 0.403 127 3HZ LYS 16 3HZ LYS 16 -5.394 18.159 0.473 128 H PHE 17 H PHE 17 -5.077 11.628 -2.098 129 HA PHE 17 HA PHE 17 -2.423 10.628 -3.002 130 1HB PHE 17 2HB PHE 17 -4.426 9.802 -1.179 131 2HB PHE 17 1HB PHE 17 -4.441 8.615 -2.483 132 HD1 PHE 17 1HD PHE 17 -1.488 9.004 -3.281 133 HD2 PHE 17 2HD PHE 17 -3.417 8.379 0.505 134 HE1 PHE 17 1HE PHE 17 0.592 7.990 -2.388 135 HE2 PHE 17 2HE PHE 17 -1.338 7.364 1.397 136 HZ PHE 17 HZ PHE 17 0.666 7.171 -0.049 137 H SER 18 H SER 18 -2.201 9.427 -4.938 138 HA SER 18 HA SER 18 -4.615 9.368 -6.726 139 1HB SER 18 2HB SER 18 -2.294 10.913 -6.933 140 2HB SER 18 1HB SER 18 -2.031 9.589 -8.064 141 HG SER 18 HG SER 18 -4.112 11.495 -7.976 142 H PHE 19 H PHE 19 -5.077 7.159 -6.689 143 HA PHE 19 HA PHE 19 -3.185 5.040 -6.440 144 1HB PHE 19 2HB PHE 19 -5.810 4.944 -7.942 145 2HB PHE 19 1HB PHE 19 -5.059 3.659 -6.997 146 HD1 PHE 19 1HD PHE 19 -4.627 4.187 -4.467 147 HD2 PHE 19 2HD PHE 19 -7.418 6.321 -6.938 148 HE1 PHE 19 1HE PHE 19 -5.820 4.976 -2.440 149 HE2 PHE 19 2HE PHE 19 -8.610 7.110 -4.912 150 HZ PHE 19 HZ PHE 19 -7.810 6.437 -2.663 151 H ALA 20 H ALA 20 -1.429 5.262 -7.903 152 HA ALA 20 HA ALA 20 -1.924 5.625 -10.782 153 1HB ALA 20 1HB ALA 20 0.313 5.625 -8.856 154 2HB ALA 20 2HB ALA 20 0.078 6.609 -10.301 155 3HB ALA 20 3HB ALA 20 0.730 4.976 -10.443 156 H LYS 21 H LYS 21 -1.218 3.004 -8.540 157 HA LYS 21 HA LYS 21 -1.648 1.051 -10.750 158 1HB LYS 21 2HB LYS 21 0.623 0.825 -8.763 159 2HB LYS 21 1HB LYS 21 0.398 -0.081 -10.260 160 1HG LYS 21 2HG LYS 21 0.477 2.261 -11.406 161 2HG LYS 21 1HG LYS 21 1.234 2.787 -9.902 162 1HD LYS 21 2HD LYS 21 2.908 0.937 -10.163 163 2HD LYS 21 1HD LYS 21 2.204 0.581 -11.742 164 1HE LYS 21 2HE LYS 21 2.722 3.409 -11.584 165 2HE LYS 21 1HE LYS 21 4.197 2.519 -11.156 166 1HZ LYS 21 1HZ LYS 21 2.480 1.992 -13.525 167 2HZ LYS 21 2HZ LYS 21 3.869 1.111 -13.098 168 3HZ LYS 21 3HZ LYS 21 4.000 2.742 -13.558 169 H ASN 22 H ASN 22 -2.577 -0.906 -10.006 170 HA ASN 22 HA ASN 22 -3.971 -0.799 -7.461 171 1HB ASN 22 2HB ASN 22 -3.579 -2.871 -9.635 172 2HB ASN 22 1HB ASN 22 -4.607 -3.155 -8.230 173 1HD2 ASN 22 1HD2 ASN 22 -6.478 -3.234 -9.769 174 2HD2 ASN 22 2HD2 ASN 22 -7.139 -1.785 -10.356 175 HA PRO 23 HA PRO 23 -1.097 -2.891 -4.891 176 1HB PRO 23 2HB PRO 23 -2.749 -4.429 -3.344 177 2HB PRO 23 1HB PRO 23 -2.625 -2.667 -3.167 178 1HG PRO 23 2HG PRO 23 -4.706 -4.289 -4.544 179 2HG PRO 23 1HG PRO 23 -4.879 -2.819 -3.572 180 1HD PRO 23 2HD PRO 23 -4.939 -2.844 -6.302 181 2HD PRO 23 1HD PRO 23 -4.420 -1.441 -5.340 182 H ALA 24 H ALA 24 0.204 -4.664 -5.257 183 HA ALA 24 HA ALA 24 -1.073 -7.113 -6.438 184 1HB ALA 24 1HB ALA 24 0.643 -7.187 -8.035 185 2HB ALA 24 2HB ALA 24 1.733 -6.216 -7.045 186 3HB ALA 24 3HB ALA 24 0.376 -5.451 -7.871 187 H ASP 25 H ASP 25 -0.208 -9.111 -5.719 188 HA ASP 25 HA ASP 25 1.064 -9.085 -3.090 189 1HB ASP 25 2HB ASP 25 0.879 -11.582 -3.446 190 2HB ASP 25 1HB ASP 25 -0.641 -10.714 -3.659 191 H THR 26 H THR 26 3.251 -8.716 -2.948 192 HA THR 26 HA THR 26 5.070 -9.262 -5.170 193 HB THR 26 HB THR 26 6.143 -8.743 -2.466 194 HG1 THR 26 1HG THR 26 4.658 -7.364 -1.973 195 1HG2 THR 26 1HG2 THR 26 6.699 -8.137 -5.212 196 2HG2 THR 26 2HG2 THR 26 7.716 -7.854 -3.798 197 3HG2 THR 26 3HG2 THR 26 6.562 -6.623 -4.315 198 H GLY 27 H GLY 27 3.832 -11.082 -2.530 199 1HA GLY 27 2HA GLY 27 5.141 -13.486 -3.254 200 2HA GLY 27 1HA GLY 27 6.074 -12.757 -1.947 201 H HIS 28 H HIS 28 5.359 -13.074 0.122 202 HA HIS 28 HA HIS 28 2.601 -14.210 0.462 203 1HB HIS 28 2HB HIS 28 3.776 -15.360 2.464 204 2HB HIS 28 1HB HIS 28 4.171 -15.949 0.850 205 HD1 HIS 28 1HD HIS 28 5.544 -13.684 3.566 206 HD2 HIS 28 2HD HIS 28 6.851 -15.629 0.118 207 HE1 HIS 28 1HE HIS 28 8.058 -13.395 3.491 208 H GLY 29 H GLY 29 1.502 -12.384 1.217 209 1HA GLY 29 2HA GLY 29 0.785 -10.969 2.981 210 2HA GLY 29 1HA GLY 29 2.224 -11.426 3.892 211 H THR 30 H THR 30 2.589 -10.341 0.603 212 HA THR 30 HA THR 30 3.533 -7.677 1.611 213 HB THR 30 HB THR 30 5.377 -7.979 -0.108 214 HG1 THR 30 1HG THR 30 4.523 -9.560 -1.381 215 1HG2 THR 30 1HG2 THR 30 6.117 -8.347 2.070 216 2HG2 THR 30 2HG2 THR 30 6.477 -9.898 1.313 217 3HG2 THR 30 3HG2 THR 30 5.036 -9.718 2.313 218 H VAL 31 H VAL 31 2.004 -6.301 0.718 219 HA VAL 31 HA VAL 31 1.252 -6.706 -2.129 220 HB VAL 31 HB VAL 31 -0.120 -5.103 0.046 221 1HG1 VAL 31 1HG1 VAL 31 -0.672 -4.455 -2.281 222 2HG1 VAL 31 2HG1 VAL 31 -2.049 -5.212 -1.481 223 3HG1 VAL 31 3HG1 VAL 31 -1.089 -6.130 -2.641 224 1HG2 VAL 31 1HG2 VAL 31 -1.679 -7.033 0.178 225 2HG2 VAL 31 2HG2 VAL 31 -0.040 -7.487 0.646 226 3HG2 VAL 31 3HG2 VAL 31 -0.654 -7.921 -0.949 227 H VAL 32 H VAL 32 1.803 -5.091 -3.584 228 HA VAL 32 HA VAL 32 3.101 -2.643 -2.438 229 HB VAL 32 HB VAL 32 3.535 -3.619 -5.240 230 1HG1 VAL 32 1HG1 VAL 32 4.887 -1.962 -3.192 231 2HG1 VAL 32 2HG1 VAL 32 4.904 -1.815 -4.949 232 3HG1 VAL 32 3HG1 VAL 32 5.953 -2.988 -4.153 233 1HG2 VAL 32 1HG2 VAL 32 4.218 -5.081 -2.741 234 2HG2 VAL 32 2HG2 VAL 32 5.515 -4.927 -3.927 235 3HG2 VAL 32 3HG2 VAL 32 3.993 -5.698 -4.379 236 H ILE 33 H ILE 33 2.306 -0.665 -3.065 237 HA ILE 33 HA ILE 33 0.424 -0.516 -5.377 238 HB ILE 33 HB ILE 33 -0.602 -0.882 -2.983 239 1HG1 ILE 33 2HG1 ILE 33 -1.747 -0.160 -5.165 240 2HG1 ILE 33 1HG1 ILE 33 -2.555 0.299 -3.665 241 1HG2 ILE 33 1HG2 ILE 33 -0.956 1.229 -1.761 242 2HG2 ILE 33 2HG2 ILE 33 0.041 2.084 -2.939 243 3HG2 ILE 33 3HG2 ILE 33 0.765 0.864 -1.890 244 1HD1 ILE 33 1HD1 ILE 33 -1.418 2.528 -3.798 245 2HD1 ILE 33 2HD1 ILE 33 -2.518 2.227 -5.144 246 3HD1 ILE 33 3HD1 ILE 33 -0.777 2.062 -5.374 247 H GLU 34 H GLU 34 0.832 1.332 -6.573 248 HA GLU 34 HA GLU 34 2.678 3.354 -5.355 249 1HB GLU 34 2HB GLU 34 3.466 1.995 -7.290 250 2HB GLU 34 1HB GLU 34 2.134 2.635 -8.251 251 1HG GLU 34 2HG GLU 34 2.992 4.941 -7.849 252 2HG GLU 34 1HG GLU 34 4.366 4.249 -6.986 253 H LEU 35 H LEU 35 1.644 5.219 -4.811 254 HA LEU 35 HA LEU 35 -0.501 6.245 -6.640 255 1HB LEU 35 2HB LEU 35 -0.518 6.841 -3.703 256 2HB LEU 35 1HB LEU 35 -1.879 6.670 -4.812 257 HG LEU 35 HG LEU 35 -1.092 4.174 -4.964 258 1HD1 LEU 35 1HD1 LEU 35 -0.333 3.952 -2.281 259 2HD1 LEU 35 2HD1 LEU 35 0.617 5.305 -2.896 260 3HD1 LEU 35 3HD1 LEU 35 0.711 3.729 -3.683 261 1HD2 LEU 35 1HD2 LEU 35 -2.241 4.716 -2.280 262 2HD2 LEU 35 2HD2 LEU 35 -2.858 3.701 -3.583 263 3HD2 LEU 35 3HD2 LEU 35 -3.093 5.448 -3.639 264 H SER 36 H SER 36 -0.343 8.508 -7.039 265 HA SER 36 HA SER 36 2.188 9.747 -6.186 266 1HB SER 36 2HB SER 36 0.779 11.428 -7.936 267 2HB SER 36 1HB SER 36 2.084 10.326 -8.367 268 HG SER 36 HG SER 36 0.620 8.801 -8.916 269 H TYR 37 H TYR 37 2.235 11.401 -4.687 270 HA TYR 37 HA TYR 37 -0.376 12.271 -3.574 271 1HB TYR 37 2HB TYR 37 1.206 11.557 -1.947 272 2HB TYR 37 1HB TYR 37 2.525 12.423 -2.737 273 HD1 TYR 37 1HD TYR 37 3.281 14.110 -1.305 274 HD2 TYR 37 2HD TYR 37 -0.942 13.473 -1.766 275 HE1 TYR 37 1HE TYR 37 2.827 16.096 0.108 276 HE2 TYR 37 2HE TYR 37 -1.395 15.460 -0.351 277 HH TYR 37 HH TYR 37 1.007 16.965 1.526 278 H SER 38 H SER 38 -1.147 13.874 -5.000 279 HA SER 38 HA SER 38 0.680 16.020 -5.862 280 1HB SER 38 2HB SER 38 -0.655 15.188 -7.613 281 2HB SER 38 1HB SER 38 -2.072 15.039 -6.579 282 HG SER 38 HG SER 38 -2.493 16.872 -7.610 283 H GLY 39 H GLY 39 0.695 16.631 -3.406 284 1HA GLY 39 2HA GLY 39 -1.619 18.453 -2.876 285 2HA GLY 39 1HA GLY 39 -0.771 17.588 -1.592 286 H SER 40 H SER 40 -0.990 20.544 -3.072 287 HA SER 40 HA SER 40 1.859 21.276 -2.968 288 1HB SER 40 2HB SER 40 0.671 23.578 -3.410 289 2HB SER 40 1HB SER 40 0.650 22.345 -4.667 290 HG SER 40 HG SER 40 -1.369 22.520 -2.695 291 H ASP 41 H ASP 41 0.194 20.448 -0.480 292 HA ASP 41 HA ASP 41 0.351 22.944 1.126 293 1HB ASP 41 2HB ASP 41 -1.155 20.469 1.091 294 2HB ASP 41 1HB ASP 41 -0.442 20.728 2.684 295 H GLY 42 H GLY 42 2.434 20.518 0.218 296 1HA GLY 42 2HA GLY 42 4.705 20.408 1.067 297 2HA GLY 42 1HA GLY 42 4.111 20.967 2.631 298 HA PRO 43 HA PRO 43 4.571 16.347 2.707 299 1HB PRO 43 2HB PRO 43 6.170 16.271 4.930 300 2HB PRO 43 1HB PRO 43 6.810 16.407 3.280 301 1HG PRO 43 2HG PRO 43 6.417 18.517 5.339 302 2HG PRO 43 1HG PRO 43 7.738 18.304 4.180 303 1HD PRO 43 2HD PRO 43 5.725 20.107 3.838 304 2HD PRO 43 1HD PRO 43 6.598 19.347 2.488 305 H CYS 44 H CYS 44 3.489 14.979 4.249 306 HA CYS 44 HA CYS 44 2.501 15.988 6.799 307 1HB CYS 44 2HB CYS 44 1.194 16.822 4.482 308 2HB CYS 44 1HB CYS 44 0.218 15.471 5.050 309 H LYS 45 H LYS 45 1.104 14.325 7.853 310 HA LYS 45 HA LYS 45 1.900 11.612 7.121 311 1HB LYS 45 2HB LYS 45 -0.226 12.380 9.115 312 2HB LYS 45 1HB LYS 45 0.931 11.055 9.203 313 1HG LYS 45 2HG LYS 45 1.459 14.009 9.582 314 2HG LYS 45 1HG LYS 45 1.724 12.703 10.735 315 1HD LYS 45 2HD LYS 45 3.625 11.922 9.621 316 2HD LYS 45 1HD LYS 45 3.157 12.665 8.091 317 1HE LYS 45 2HE LYS 45 4.372 14.504 8.601 318 2HE LYS 45 1HE LYS 45 3.427 14.728 10.086 319 1HZ LYS 45 1HZ LYS 45 5.725 14.319 10.650 320 2HZ LYS 45 2HZ LYS 45 5.737 12.890 9.731 321 3HZ LYS 45 3HZ LYS 45 4.785 12.994 11.135 322 H ILE 46 H ILE 46 0.739 10.250 5.800 323 HA ILE 46 HA ILE 46 -1.795 11.183 4.640 324 HB ILE 46 HB ILE 46 -0.389 8.533 4.241 325 1HG1 ILE 46 2HG1 ILE 46 0.255 11.227 2.998 326 2HG1 ILE 46 1HG1 ILE 46 1.305 10.307 4.073 327 1HG2 ILE 46 1HG2 ILE 46 -1.270 9.560 1.816 328 2HG2 ILE 46 2HG2 ILE 46 -2.538 10.041 2.943 329 3HG2 ILE 46 3HG2 ILE 46 -2.104 8.339 2.778 330 1HD1 ILE 46 1HD1 ILE 46 0.434 8.628 1.893 331 2HD1 ILE 46 2HD1 ILE 46 2.077 9.082 2.352 332 3HD1 ILE 46 3HD1 ILE 46 1.150 10.110 1.258 333 HA PRO 47 HA PRO 47 -3.950 8.867 7.832 334 1HB PRO 47 2HB PRO 47 -6.386 10.009 7.357 335 2HB PRO 47 1HB PRO 47 -5.115 10.811 8.302 336 1HG PRO 47 2HG PRO 47 -5.973 11.282 5.505 337 2HG PRO 47 1HG PRO 47 -5.368 12.427 6.710 338 1HD PRO 47 2HD PRO 47 -3.888 11.381 4.621 339 2HD PRO 47 1HD PRO 47 -3.208 12.102 6.096 340 H ILE 48 H ILE 48 -3.515 7.021 6.188 341 HA ILE 48 HA ILE 48 -6.004 6.399 4.633 342 HB ILE 48 HB ILE 48 -3.063 5.886 4.258 343 1HG1 ILE 48 2HG1 ILE 48 -3.497 6.804 2.067 344 2HG1 ILE 48 1HG1 ILE 48 -5.240 6.697 2.315 345 1HG2 ILE 48 1HG2 ILE 48 -4.026 3.675 4.017 346 2HG2 ILE 48 2HG2 ILE 48 -3.706 4.307 2.402 347 3HG2 ILE 48 3HG2 ILE 48 -5.350 4.311 3.041 348 1HD1 ILE 48 1HD1 ILE 48 -5.271 8.481 3.825 349 2HD1 ILE 48 2HD1 ILE 48 -4.043 9.000 2.672 350 3HD1 ILE 48 3HD1 ILE 48 -3.561 8.304 4.219 351 H VAL 49 H VAL 49 -6.828 4.247 4.797 352 HA VAL 49 HA VAL 49 -5.689 2.602 7.035 353 HB VAL 49 HB VAL 49 -8.027 2.136 7.666 354 1HG1 VAL 49 1HG1 VAL 49 -6.723 4.280 8.376 355 2HG1 VAL 49 2HG1 VAL 49 -8.458 4.211 8.683 356 3HG1 VAL 49 3HG1 VAL 49 -7.841 5.121 7.303 357 1HG2 VAL 49 1HG2 VAL 49 -9.127 2.237 5.528 358 2HG2 VAL 49 2HG2 VAL 49 -8.611 3.905 5.275 359 3HG2 VAL 49 3HG2 VAL 49 -9.813 3.532 6.510 360 H SER 50 H SER 50 -5.776 0.338 6.697 361 HA SER 50 HA SER 50 -6.687 -0.531 3.971 362 1HB SER 50 2HB SER 50 -4.154 -0.714 5.408 363 2HB SER 50 1HB SER 50 -4.725 -2.301 4.901 364 HG SER 50 HG SER 50 -4.077 -0.035 3.368 365 H VAL 51 H VAL 51 -8.681 -1.451 4.567 366 HA VAL 51 HA VAL 51 -8.598 -3.507 6.747 367 HB VAL 51 HB VAL 51 -11.071 -3.032 6.835 368 1HG1 VAL 51 1HG1 VAL 51 -10.039 -0.334 7.187 369 2HG1 VAL 51 2HG1 VAL 51 -8.915 -1.539 7.819 370 3HG1 VAL 51 3HG1 VAL 51 -10.578 -1.489 8.407 371 1HG2 VAL 51 1HG2 VAL 51 -11.123 -2.186 4.435 372 2HG2 VAL 51 2HG2 VAL 51 -10.374 -0.702 5.027 373 3HG2 VAL 51 3HG2 VAL 51 -11.973 -1.173 5.603 374 H ALA 52 H ALA 52 -9.956 -5.420 6.362 375 HA ALA 52 HA ALA 52 -9.529 -6.681 3.847 376 1HB ALA 52 1HB ALA 52 -9.864 -8.013 5.784 377 2HB ALA 52 2HB ALA 52 -11.337 -8.252 4.843 378 3HB ALA 52 3HB ALA 52 -11.339 -7.150 6.221 379 H SER 53 H SER 53 -11.305 -7.427 2.353 380 HA SER 53 HA SER 53 -12.877 -5.220 1.390 381 1HB SER 53 2HB SER 53 -12.230 -6.838 -0.189 382 2HB SER 53 1HB SER 53 -12.655 -8.178 0.872 383 HG SER 53 HG SER 53 -14.131 -7.044 -1.004 384 H LEU 54 H LEU 54 -14.741 -4.482 2.312 385 HA LEU 54 HA LEU 54 -17.014 -4.674 3.070 386 1HB LEU 54 2HB LEU 54 -16.650 -7.105 2.131 387 2HB LEU 54 1HB LEU 54 -16.468 -7.530 3.834 388 HG LEU 54 HG LEU 54 -18.665 -6.329 4.256 389 1HD1 LEU 54 1HD1 LEU 54 -18.339 -5.913 1.362 390 2HD1 LEU 54 2HD1 LEU 54 -19.333 -5.029 2.520 391 3HD1 LEU 54 3HD1 LEU 54 -19.926 -6.533 1.815 392 1HD2 LEU 54 1HD2 LEU 54 -19.566 -8.397 4.170 393 2HD2 LEU 54 2HD2 LEU 54 -18.114 -8.925 3.319 394 3HD2 LEU 54 3HD2 LEU 54 -19.527 -8.395 2.407 395 H ASN 55 H ASN 55 -14.500 -4.091 4.634 396 HA ASN 55 HA ASN 55 -15.719 -4.448 7.331 397 1HB ASN 55 2HB ASN 55 -12.967 -5.300 6.404 398 2HB ASN 55 1HB ASN 55 -13.356 -5.075 8.109 399 1HD2 ASN 55 1HD2 ASN 55 -13.394 -7.364 5.595 400 2HD2 ASN 55 2HD2 ASN 55 -14.454 -8.486 6.302 401 H ASP 56 H ASP 56 -16.132 -2.109 7.055 402 HA ASP 56 HA ASP 56 -13.701 -0.379 7.014 403 1HB ASP 56 2HB ASP 56 -16.243 -0.282 5.838 404 2HB ASP 56 1HB ASP 56 -16.304 0.931 7.118 405 H MET 57 H MET 57 -15.377 -1.993 9.304 406 HA MET 57 HA MET 57 -15.405 0.274 11.261 407 1HB MET 57 2HB MET 57 -16.865 -2.317 10.902 408 2HB MET 57 1HB MET 57 -16.674 -1.691 12.540 409 1HG MET 57 2HG MET 57 -17.606 0.175 10.389 410 2HG MET 57 1HG MET 57 -18.756 -0.975 11.071 411 1HE MET 57 1HE MET 57 -18.052 2.497 11.208 412 2HE MET 57 2HE MET 57 -16.412 1.938 11.532 413 3HE MET 57 3HE MET 57 -17.264 2.892 12.742 414 H THR 58 H THR 58 -13.697 -2.552 10.342 415 HA THR 58 HA THR 58 -12.148 -2.454 12.906 416 HB THR 58 HB THR 58 -11.993 -4.976 12.618 417 HG1 THR 58 1HG THR 58 -13.519 -5.884 11.219 418 1HG2 THR 58 1HG2 THR 58 -13.590 -3.853 14.179 419 2HG2 THR 58 2HG2 THR 58 -14.197 -5.388 13.558 420 3HG2 THR 58 3HG2 THR 58 -14.799 -3.869 12.895 421 HA PRO 59 HA PRO 59 -8.992 -1.932 9.780 422 1HB PRO 59 2HB PRO 59 -6.947 -1.477 11.543 423 2HB PRO 59 1HB PRO 59 -8.136 -0.235 11.101 424 1HG PRO 59 2HG PRO 59 -7.990 -1.933 13.539 425 2HG PRO 59 1HG PRO 59 -8.465 -0.236 13.370 426 1HD PRO 59 2HD PRO 59 -10.245 -2.290 13.659 427 2HD PRO 59 1HD PRO 59 -10.626 -0.760 12.839 428 H VAL 60 H VAL 60 -7.990 -3.663 8.822 429 HA VAL 60 HA VAL 60 -6.784 -5.760 10.588 430 HB VAL 60 HB VAL 60 -9.092 -6.222 9.490 431 1HG1 VAL 60 1HG1 VAL 60 -9.057 -6.860 7.165 432 2HG1 VAL 60 2HG1 VAL 60 -7.305 -6.674 7.085 433 3HG1 VAL 60 3HG1 VAL 60 -8.334 -5.255 7.276 434 1HG2 VAL 60 1HG2 VAL 60 -8.197 -8.168 10.324 435 2HG2 VAL 60 2HG2 VAL 60 -6.643 -7.915 9.531 436 3HG2 VAL 60 3HG2 VAL 60 -8.013 -8.536 8.610 437 H GLY 61 H GLY 61 -6.802 -4.099 7.494 438 1HA GLY 61 2HA GLY 61 -4.462 -5.441 6.435 439 2HA GLY 61 1HA GLY 61 -5.162 -3.944 5.811 440 H ARG 62 H ARG 62 -2.293 -4.731 6.529 441 HA ARG 62 HA ARG 62 -1.777 -2.419 8.375 442 1HB ARG 62 2HB ARG 62 -0.187 -4.989 8.126 443 2HB ARG 62 1HB ARG 62 -0.016 -3.749 9.368 444 1HG ARG 62 2HG ARG 62 -2.760 -4.715 9.185 445 2HG ARG 62 1HG ARG 62 -1.627 -6.022 9.529 446 1HD ARG 62 2HD ARG 62 -0.632 -4.320 11.283 447 2HD ARG 62 1HD ARG 62 -2.239 -3.575 11.164 448 HE ARG 62 HE ARG 62 -2.006 -6.514 11.639 449 1HH1 ARG 62 1HH2 ARG 62 -4.553 -4.724 11.571 450 2HH1 ARG 62 2HH2 ARG 62 -4.917 -4.656 13.263 451 1HH2 ARG 62 1HH1 ARG 62 -1.811 -5.841 14.249 452 2HH2 ARG 62 2HH1 ARG 62 -3.365 -5.288 14.779 453 H LEU 63 H LEU 63 0.234 -1.278 7.969 454 HA LEU 63 HA LEU 63 1.029 -1.315 5.109 455 1HB LEU 63 2HB LEU 63 1.839 0.552 7.358 456 2HB LEU 63 1HB LEU 63 1.912 0.875 5.625 457 HG LEU 63 HG LEU 63 -0.754 0.133 6.123 458 1HD1 LEU 63 1HD1 LEU 63 -0.821 2.341 7.854 459 2HD1 LEU 63 2HD1 LEU 63 0.469 1.313 8.481 460 3HD1 LEU 63 3HD1 LEU 63 -1.159 0.662 8.278 461 1HD2 LEU 63 1HD2 LEU 63 0.715 2.701 5.563 462 2HD2 LEU 63 2HD2 LEU 63 -1.031 2.719 5.807 463 3HD2 LEU 63 3HD2 LEU 63 -0.335 1.770 4.493 464 H VAL 64 H VAL 64 2.966 -2.217 4.474 465 HA VAL 64 HA VAL 64 4.623 -3.772 6.141 466 HB VAL 64 HB VAL 64 4.410 -3.574 3.569 467 1HG1 VAL 64 1HG1 VAL 64 6.455 -1.416 4.163 468 2HG1 VAL 64 2HG1 VAL 64 4.917 -1.218 3.322 469 3HG1 VAL 64 3HG1 VAL 64 6.221 -2.137 2.571 470 1HG2 VAL 64 1HG2 VAL 64 7.301 -3.685 4.263 471 2HG2 VAL 64 2HG2 VAL 64 6.309 -4.851 3.386 472 3HG2 VAL 64 3HG2 VAL 64 6.241 -4.783 5.148 473 H THR 65 H THR 65 4.634 -0.309 5.587 474 HA THR 65 HA THR 65 7.123 -0.066 7.244 475 HB THR 65 HB THR 65 7.028 0.772 4.828 476 HG1 THR 65 1HG THR 65 8.486 1.573 6.435 477 1HG2 THR 65 1HG2 THR 65 5.766 3.274 5.512 478 2HG2 THR 65 2HG2 THR 65 4.647 1.941 5.796 479 3HG2 THR 65 3HG2 THR 65 5.372 2.158 4.203 480 H VAL 66 H VAL 66 7.070 2.188 8.448 481 HA VAL 66 HA VAL 66 5.014 2.167 10.400 482 HB VAL 66 HB VAL 66 5.994 4.469 10.862 483 1HG1 VAL 66 1HG1 VAL 66 6.936 2.344 11.777 484 2HG1 VAL 66 2HG1 VAL 66 8.168 3.577 11.513 485 3HG1 VAL 66 3HG1 VAL 66 7.993 2.247 10.369 486 1HG2 VAL 66 1HG2 VAL 66 7.637 5.374 9.460 487 2HG2 VAL 66 2HG2 VAL 66 6.496 4.697 8.297 488 3HG2 VAL 66 3HG2 VAL 66 7.973 3.820 8.696 489 H ASN 67 H ASN 67 3.933 4.632 10.692 490 HA ASN 67 HA ASN 67 1.646 4.744 9.113 491 1HB ASN 67 2HB ASN 67 2.663 6.130 11.189 492 2HB ASN 67 1HB ASN 67 2.912 7.324 9.915 493 1HD2 ASN 67 1HD2 ASN 67 1.204 8.786 10.353 494 2HD2 ASN 67 2HD2 ASN 67 -0.435 8.340 10.374 495 HA PRO 68 HA PRO 68 3.167 6.008 5.161 496 1HB PRO 68 2HB PRO 68 0.766 6.683 4.038 497 2HB PRO 68 1HB PRO 68 1.275 5.001 4.288 498 1HG PRO 68 2HG PRO 68 -0.612 6.661 5.871 499 2HG PRO 68 1HG PRO 68 -0.673 4.935 5.487 500 1HD PRO 68 2HD PRO 68 0.135 5.952 7.905 501 2HD PRO 68 1HD PRO 68 0.622 4.364 7.273 502 H PHE 69 H PHE 69 4.165 7.974 6.312 503 HA PHE 69 HA PHE 69 2.549 10.452 5.965 504 1HB PHE 69 2HB PHE 69 4.475 11.344 7.400 505 2HB PHE 69 1HB PHE 69 3.414 10.174 8.174 506 HD1 PHE 69 1HD PHE 69 4.295 8.182 9.066 507 HD2 PHE 69 2HD PHE 69 6.624 10.468 6.277 508 HE1 PHE 69 1HE PHE 69 6.240 6.702 9.480 509 HE2 PHE 69 2HE PHE 69 8.570 8.986 6.687 510 HZ PHE 69 HZ PHE 69 8.378 7.103 8.290 511 H VAL 70 H VAL 70 3.177 11.964 4.440 512 HA VAL 70 HA VAL 70 5.424 11.261 2.644 513 HB VAL 70 HB VAL 70 3.268 13.398 2.609 514 1HG1 VAL 70 1HG1 VAL 70 5.674 13.078 1.045 515 2HG1 VAL 70 2HG1 VAL 70 4.460 14.353 0.957 516 3HG1 VAL 70 3HG1 VAL 70 4.256 12.875 0.017 517 1HG2 VAL 70 1HG2 VAL 70 2.896 11.601 0.510 518 2HG2 VAL 70 2HG2 VAL 70 1.971 11.644 2.012 519 3HG2 VAL 70 3HG2 VAL 70 3.366 10.574 1.866 520 H ALA 71 H ALA 71 6.688 11.877 4.887 521 HA ALA 71 HA ALA 71 7.116 14.757 5.248 522 1HB ALA 71 1HB ALA 71 7.179 13.021 7.057 523 2HB ALA 71 2HB ALA 71 8.659 13.976 6.976 524 3HB ALA 71 3HB ALA 71 8.624 12.345 6.305 525 H THR 72 H THR 72 7.655 14.462 2.646 526 HA THR 72 HA THR 72 10.632 14.631 2.516 527 HB THR 72 HB THR 72 9.356 13.315 0.216 528 HG1 THR 72 1HG THR 72 9.511 11.879 2.642 529 1HG2 THR 72 1HG2 THR 72 11.412 11.944 1.831 530 2HG2 THR 72 2HG2 THR 72 11.874 13.540 1.240 531 3HG2 THR 72 3HG2 THR 72 11.381 12.287 0.102 532 H SER 73 H SER 73 11.287 15.625 0.343 533 HA SER 73 HA SER 73 9.368 17.803 -0.335 534 1HB SER 73 2HB SER 73 12.028 17.769 0.325 535 2HB SER 73 1HB SER 73 12.113 17.788 -1.434 536 HG SER 73 HG SER 73 11.797 19.847 0.015 537 H SER 74 H SER 74 10.348 14.801 -1.511 538 HA SER 74 HA SER 74 9.678 15.589 -4.330 539 1HB SER 74 2HB SER 74 11.996 14.924 -4.110 540 2HB SER 74 1HB SER 74 11.547 13.494 -3.184 541 HG SER 74 HG SER 74 10.815 14.049 -5.875 542 H ALA 75 H ALA 75 8.246 14.258 -1.754 543 HA ALA 75 HA ALA 75 7.271 11.737 -2.892 544 1HB ALA 75 1HB ALA 75 6.743 13.430 -0.458 545 2HB ALA 75 2HB ALA 75 7.400 11.796 -0.543 546 3HB ALA 75 3HB ALA 75 5.683 12.072 -0.838 547 H ASN 76 H ASN 76 6.732 14.735 -3.933 548 HA ASN 76 HA ASN 76 3.812 14.772 -4.005 549 1HB ASN 76 2HB ASN 76 6.034 16.444 -5.202 550 2HB ASN 76 1HB ASN 76 4.326 16.806 -5.450 551 1HD2 ASN 76 1HD2 ASN 76 6.266 18.493 -3.977 552 2HD2 ASN 76 2HD2 ASN 76 5.684 18.611 -2.386 553 H SER 77 H SER 77 5.715 12.667 -5.364 554 HA SER 77 HA SER 77 4.477 12.868 -8.084 555 1HB SER 77 2HB SER 77 7.113 12.973 -7.457 556 2HB SER 77 1HB SER 77 6.913 11.229 -7.604 557 HG SER 77 HG SER 77 7.004 11.578 -9.668 558 H LYS 78 H LYS 78 4.807 10.349 -9.003 559 HA LYS 78 HA LYS 78 2.856 8.791 -7.606 560 1HB LYS 78 2HB LYS 78 3.751 6.998 -9.179 561 2HB LYS 78 1HB LYS 78 3.279 8.503 -9.968 562 1HG LYS 78 2HG LYS 78 5.435 9.064 -10.496 563 2HG LYS 78 1HG LYS 78 6.090 8.353 -9.020 564 1HD LYS 78 2HD LYS 78 6.268 6.247 -9.946 565 2HD LYS 78 1HD LYS 78 4.908 6.499 -11.041 566 1HE LYS 78 2HE LYS 78 7.326 8.205 -11.467 567 2HE LYS 78 1HE LYS 78 7.426 6.501 -11.951 568 1HZ LYS 78 1HZ LYS 78 6.361 8.292 -13.535 569 2HZ LYS 78 2HZ LYS 78 4.982 7.979 -12.594 570 3HZ LYS 78 3HZ LYS 78 5.738 6.717 -13.446 571 H VAL 79 H VAL 79 3.653 8.718 -5.385 572 HA VAL 79 HA VAL 79 6.248 7.582 -4.758 573 HB VAL 79 HB VAL 79 5.417 7.832 -2.480 574 1HG1 VAL 79 1HG1 VAL 79 5.646 10.063 -2.671 575 2HG1 VAL 79 2HG1 VAL 79 4.055 10.196 -3.421 576 3HG1 VAL 79 3HG1 VAL 79 5.476 9.883 -4.417 577 1HG2 VAL 79 1HG2 VAL 79 2.726 8.734 -3.325 578 2HG2 VAL 79 2HG2 VAL 79 3.205 7.812 -1.902 579 3HG2 VAL 79 3HG2 VAL 79 3.019 7.001 -3.456 580 H LEU 80 H LEU 80 6.162 5.572 -3.132 581 HA LEU 80 HA LEU 80 4.216 3.557 -4.213 582 1HB LEU 80 2HB LEU 80 6.963 3.714 -4.641 583 2HB LEU 80 1HB LEU 80 6.809 2.516 -3.353 584 HG LEU 80 HG LEU 80 4.992 2.368 -5.740 585 1HD1 LEU 80 1HD1 LEU 80 6.660 0.862 -6.815 586 2HD1 LEU 80 2HD1 LEU 80 7.828 1.303 -5.569 587 3HD1 LEU 80 3HD1 LEU 80 7.240 2.523 -6.697 588 1HD2 LEU 80 1HD2 LEU 80 5.922 -0.147 -4.844 589 2HD2 LEU 80 2HD2 LEU 80 4.329 0.559 -4.567 590 3HD2 LEU 80 3HD2 LEU 80 5.619 0.804 -3.389 591 H VAL 81 H VAL 81 3.329 2.163 -2.683 592 HA VAL 81 HA VAL 81 4.343 2.349 0.127 593 HB VAL 81 HB VAL 81 1.437 2.060 -0.168 594 1HG1 VAL 81 1HG1 VAL 81 1.519 3.122 1.825 595 2HG1 VAL 81 2HG1 VAL 81 2.491 4.440 1.167 596 3HG1 VAL 81 3HG1 VAL 81 3.272 2.957 1.717 597 1HG2 VAL 81 1HG2 VAL 81 1.009 4.354 -0.918 598 2HG2 VAL 81 2HG2 VAL 81 1.914 3.487 -2.159 599 3HG2 VAL 81 3HG2 VAL 81 2.740 4.638 -1.108 600 H GLU 82 H GLU 82 3.463 0.481 1.462 601 HA GLU 82 HA GLU 82 2.674 -1.900 -0.151 602 1HB GLU 82 2HB GLU 82 5.245 -1.340 1.223 603 2HB GLU 82 1HB GLU 82 4.582 -2.955 1.476 604 1HG GLU 82 2HG GLU 82 4.884 -3.568 -0.706 605 2HG GLU 82 1HG GLU 82 4.511 -1.956 -1.316 606 H MET 83 H MET 83 1.649 -3.544 1.147 607 HA MET 83 HA MET 83 1.342 -3.084 4.052 608 1HB MET 83 2HB MET 83 -1.182 -3.019 3.727 609 2HB MET 83 1HB MET 83 -0.321 -1.593 3.152 610 1HG MET 83 2HG MET 83 -0.516 -2.241 0.888 611 2HG MET 83 1HG MET 83 -0.908 -3.909 1.310 612 1HE MET 83 1HE MET 83 -4.159 -3.036 -0.321 613 2HE MET 83 2HE MET 83 -2.536 -3.707 -0.461 614 3HE MET 83 3HE MET 83 -2.803 -1.995 -0.779 615 H GLU 84 H GLU 84 0.726 -5.004 5.114 616 HA GLU 84 HA GLU 84 0.539 -7.418 3.407 617 1HB GLU 84 2HB GLU 84 1.164 -8.453 5.703 618 2HB GLU 84 1HB GLU 84 2.400 -7.529 4.857 619 1HG GLU 84 2HG GLU 84 2.358 -5.831 6.388 620 2HG GLU 84 1HG GLU 84 0.619 -5.971 6.646 621 HA PRO 85 HA PRO 85 -3.643 -6.868 5.353 622 1HB PRO 85 2HB PRO 85 -5.076 -7.329 3.067 623 2HB PRO 85 1HB PRO 85 -4.486 -5.721 3.530 624 1HG PRO 85 2HG PRO 85 -3.378 -7.646 1.551 625 2HG PRO 85 1HG PRO 85 -3.478 -5.880 1.477 626 1HD PRO 85 2HD PRO 85 -1.193 -7.246 2.097 627 2HD PRO 85 1HD PRO 85 -1.538 -5.591 2.647 628 HA PRO 86 HA PRO 86 -4.372 -11.185 5.702 629 1HB PRO 86 2HB PRO 86 -7.102 -11.330 5.863 630 2HB PRO 86 1HB PRO 86 -6.089 -10.702 7.178 631 1HG PRO 86 2HG PRO 86 -7.664 -9.219 5.130 632 2HG PRO 86 1HG PRO 86 -7.440 -8.870 6.851 633 1HD PRO 86 2HD PRO 86 -6.097 -7.561 4.881 634 2HD PRO 86 1HD PRO 86 -5.433 -7.812 6.510 635 H PHE 87 H PHE 87 -5.055 -13.065 4.488 636 HA PHE 87 HA PHE 87 -5.041 -12.873 1.670 637 1HB PHE 87 2HB PHE 87 -6.521 -15.083 3.058 638 2HB PHE 87 1HB PHE 87 -5.316 -15.181 1.776 639 HD1 PHE 87 1HD PHE 87 -5.758 -16.127 4.996 640 HD2 PHE 87 2HD PHE 87 -3.028 -13.770 2.665 641 HE1 PHE 87 1HE PHE 87 -3.994 -16.490 6.697 642 HE2 PHE 87 2HE PHE 87 -1.262 -14.134 4.363 643 HZ PHE 87 HZ PHE 87 -1.742 -15.498 6.381 644 H GLY 88 H GLY 88 -6.633 -12.441 0.172 645 1HA GLY 88 2HA GLY 88 -9.054 -12.807 -0.441 646 2HA GLY 88 1HA GLY 88 -9.442 -12.242 1.184 647 H ASP 89 H ASP 89 -10.765 -10.666 -0.202 648 HA ASP 89 HA ASP 89 -9.258 -8.554 -1.577 649 1HB ASP 89 2HB ASP 89 -12.167 -8.935 -0.803 650 2HB ASP 89 1HB ASP 89 -11.579 -7.619 -1.818 651 H SER 90 H SER 90 -9.175 -6.342 -0.838 652 HA SER 90 HA SER 90 -9.858 -5.904 2.044 653 1HB SER 90 2HB SER 90 -7.353 -4.707 1.022 654 2HB SER 90 1HB SER 90 -7.672 -5.487 2.568 655 HG SER 90 HG SER 90 -7.259 -7.415 1.694 656 H TYR 91 H TYR 91 -10.700 -3.847 2.436 657 HA TYR 91 HA TYR 91 -11.007 -2.063 0.067 658 1HB TYR 91 2HB TYR 91 -12.444 -2.635 2.620 659 2HB TYR 91 1HB TYR 91 -12.581 -0.999 1.973 660 HD1 TYR 91 1HD TYR 91 -14.938 -1.183 1.379 661 HD2 TYR 91 2HD TYR 91 -12.038 -3.947 -0.172 662 HE1 TYR 91 1HE TYR 91 -16.589 -1.977 -0.293 663 HE2 TYR 91 2HE TYR 91 -13.690 -4.742 -1.842 664 HH TYR 91 HH TYR 91 -16.687 -4.549 -1.699 665 H ILE 92 H ILE 92 -9.693 -0.287 -0.066 666 HA ILE 92 HA ILE 92 -8.342 0.641 2.447 667 HB ILE 92 HB ILE 92 -7.622 0.872 -0.494 668 1HG1 ILE 92 2HG1 ILE 92 -5.630 -0.544 0.508 669 2HG1 ILE 92 1HG1 ILE 92 -6.808 -0.936 1.761 670 1HG2 ILE 92 1HG2 ILE 92 -6.647 2.777 0.468 671 2HG2 ILE 92 2HG2 ILE 92 -5.366 1.576 0.625 672 3HG2 ILE 92 3HG2 ILE 92 -6.375 1.974 2.014 673 1HD1 ILE 92 1HD1 ILE 92 -7.894 -2.358 0.392 674 2HD1 ILE 92 2HD1 ILE 92 -6.575 -2.153 -0.761 675 3HD1 ILE 92 3HD1 ILE 92 -8.009 -1.133 -0.872 676 H VAL 93 H VAL 93 -8.808 2.733 3.143 677 HA VAL 93 HA VAL 93 -10.263 4.509 1.209 678 HB VAL 93 HB VAL 93 -10.638 4.294 4.207 679 1HG1 VAL 93 1HG1 VAL 93 -12.939 5.294 3.033 680 2HG1 VAL 93 2HG1 VAL 93 -11.655 6.048 2.088 681 3HG1 VAL 93 3HG1 VAL 93 -11.701 6.260 3.838 682 1HG2 VAL 93 1HG2 VAL 93 -11.698 2.708 1.951 683 2HG2 VAL 93 2HG2 VAL 93 -12.931 3.330 3.048 684 3HG2 VAL 93 3HG2 VAL 93 -11.630 2.314 3.669 685 H VAL 94 H VAL 94 -9.086 6.326 0.783 686 HA VAL 94 HA VAL 94 -7.037 7.243 2.742 687 HB VAL 94 HB VAL 94 -7.676 7.993 -0.132 688 1HG1 VAL 94 1HG1 VAL 94 -5.059 8.561 1.194 689 2HG1 VAL 94 2HG1 VAL 94 -6.420 9.623 1.554 690 3HG1 VAL 94 3HG1 VAL 94 -5.866 9.431 -0.110 691 1HG2 VAL 94 1HG2 VAL 94 -6.290 5.759 1.047 692 2HG2 VAL 94 2HG2 VAL 94 -5.138 6.753 0.155 693 3HG2 VAL 94 3HG2 VAL 94 -6.563 6.106 -0.660 694 H GLY 95 H GLY 95 -8.050 8.585 4.263 695 1HA GLY 95 2HA GLY 95 -9.544 10.913 3.151 696 2HA GLY 95 1HA GLY 95 -10.276 9.974 4.451 697 H MET 96 H MET 96 -9.222 12.823 4.295 698 HA MET 96 HA MET 96 -7.278 12.670 6.576 699 1HB MET 96 2HB MET 96 -6.399 13.670 4.513 700 2HB MET 96 1HB MET 96 -7.769 14.778 4.448 701 1HG MET 96 2HG MET 96 -7.050 15.653 6.711 702 2HG MET 96 1HG MET 96 -5.585 14.686 6.544 703 1HE MET 96 1HE MET 96 -7.226 16.173 3.257 704 2HE MET 96 2HE MET 96 -6.949 17.887 3.552 705 3HE MET 96 3HE MET 96 -7.947 16.958 4.669 706 H GLY 97 H GLY 97 -9.501 12.390 7.774 707 1HA GLY 97 2HA GLY 97 -11.142 13.323 9.168 708 2HA GLY 97 1HA GLY 97 -10.105 14.750 9.211 709 H ASP 98 H ASP 98 -11.161 13.734 6.093 710 HA ASP 98 HA ASP 98 -13.500 15.566 6.108 711 1HB ASP 98 2HB ASP 98 -10.978 15.896 4.452 712 2HB ASP 98 1HB ASP 98 -12.467 16.799 4.169 713 H LYS 99 H LYS 99 -11.674 14.645 3.253 714 HA LYS 99 HA LYS 99 -13.987 13.281 2.130 715 1HB LYS 99 2HB LYS 99 -11.752 14.664 1.225 716 2HB LYS 99 1HB LYS 99 -11.420 12.995 0.756 717 1HG LYS 99 2HG LYS 99 -12.667 13.692 -1.071 718 2HG LYS 99 1HG LYS 99 -13.951 13.068 -0.035 719 1HD LYS 99 2HD LYS 99 -14.247 15.390 0.884 720 2HD LYS 99 1HD LYS 99 -13.098 15.960 -0.327 721 1HE LYS 99 2HE LYS 99 -14.641 15.842 -2.000 722 2HE LYS 99 1HE LYS 99 -15.255 14.275 -1.434 723 1HZ LYS 99 1HZ LYS 99 -16.454 15.339 0.307 724 2HZ LYS 99 2HZ LYS 99 -16.844 16.154 -1.132 725 3HZ LYS 99 3HZ LYS 99 -15.751 16.844 -0.031 726 H GLN 100 H GLN 100 -13.972 11.024 1.446 727 HA GLN 100 HA GLN 100 -11.864 9.314 2.678 728 1HB GLN 100 2HB GLN 100 -13.473 8.019 3.868 729 2HB GLN 100 1HB GLN 100 -13.918 9.695 4.167 730 1HG GLN 100 2HG GLN 100 -15.225 7.760 2.240 731 2HG GLN 100 1HG GLN 100 -15.945 8.525 3.651 732 1HE2 GLN 100 1HE2 GLN 100 -15.291 8.926 0.262 733 2HE2 GLN 100 2HE2 GLN 100 -15.909 10.500 0.120 734 H ILE 101 H ILE 101 -11.165 8.930 0.475 735 HA ILE 101 HA ILE 101 -13.047 7.723 -1.447 736 HB ILE 101 HB ILE 101 -11.161 9.315 -1.990 737 1HG1 ILE 101 2HG1 ILE 101 -10.168 7.475 -3.745 738 2HG1 ILE 101 1HG1 ILE 101 -11.666 6.683 -3.250 739 1HG2 ILE 101 1HG2 ILE 101 -9.295 6.983 -1.719 740 2HG2 ILE 101 2HG2 ILE 101 -9.654 7.960 -0.296 741 3HG2 ILE 101 3HG2 ILE 101 -8.930 8.708 -1.720 742 1HD1 ILE 101 1HD1 ILE 101 -12.043 8.139 -5.209 743 2HD1 ILE 101 2HD1 ILE 101 -11.440 9.522 -4.294 744 3HD1 ILE 101 3HD1 ILE 101 -12.934 8.723 -3.803 745 H ASN 102 H ASN 102 -13.554 5.568 -1.205 746 HA ASN 102 HA ASN 102 -11.522 3.760 0.039 747 1HB ASN 102 2HB ASN 102 -13.521 2.339 0.459 748 2HB ASN 102 1HB ASN 102 -13.717 3.961 1.124 749 1HD2 ASN 102 1HD2 ASN 102 -15.701 4.888 0.623 750 2HD2 ASN 102 2HD2 ASN 102 -16.624 4.540 -0.758 751 H HIS 103 H HIS 103 -11.060 1.739 -0.959 752 HA HIS 103 HA HIS 103 -11.940 1.440 -3.810 753 1HB HIS 103 2HB HIS 103 -9.259 1.595 -2.520 754 2HB HIS 103 1HB HIS 103 -9.440 0.407 -3.812 755 HD1 HIS 103 1HD HIS 103 -11.679 3.238 -4.290 756 HD2 HIS 103 2HD HIS 103 -7.718 2.375 -5.262 757 HE1 HIS 103 1HE HIS 103 -11.002 4.900 -6.076 758 H HIS 104 H HIS 104 -11.947 -0.817 -4.532 759 HA HIS 104 HA HIS 104 -12.196 -2.754 -2.255 760 1HB HIS 104 2HB HIS 104 -13.445 -2.934 -5.006 761 2HB HIS 104 1HB HIS 104 -13.936 -3.777 -3.537 762 HD1 HIS 104 1HD HIS 104 -15.861 -1.882 -5.180 763 HD2 HIS 104 2HD HIS 104 -13.732 -0.768 -1.773 764 HE1 HIS 104 1HE HIS 104 -17.086 0.099 -4.186 765 H TRP 105 H TRP 105 -9.809 -3.157 -2.502 766 HA TRP 105 HA TRP 105 -8.609 -4.123 -4.899 767 1HB TRP 105 2HB TRP 105 -7.196 -3.453 -3.131 768 2HB TRP 105 1HB TRP 105 -8.098 -4.389 -1.940 769 HD1 TRP 105 HD TRP 105 -6.548 -6.231 -1.122 770 HE1 TRP 105 1HE TRP 105 -5.020 -7.983 -2.237 771 HE3 TRP 105 3HE TRP 105 -6.963 -4.785 -6.002 772 HZ2 TRP 105 2HZ TRP 105 -4.095 -8.678 -4.853 773 HZ3 TRP 105 3HZ TRP 105 -5.750 -6.008 -7.784 774 HH2 TRP 105 HH TRP 105 -4.318 -7.952 -7.215 775 H HIS 106 H HIS 106 -9.584 -5.827 -5.994 776 HA HIS 106 HA HIS 106 -10.515 -8.183 -4.406 777 1HB HIS 106 2HB HIS 106 -11.286 -6.777 -6.875 778 2HB HIS 106 1HB HIS 106 -11.290 -8.534 -7.031 779 HD1 HIS 106 1HD HIS 106 -12.349 -6.194 -4.196 780 HD2 HIS 106 2HD HIS 106 -13.830 -9.398 -6.413 781 HE1 HIS 106 1HE HIS 106 -14.640 -6.719 -3.251 782 H LYS 107 H LYS 107 -9.539 -10.183 -4.700 783 HA LYS 107 HA LYS 107 -6.901 -10.376 -5.769 784 1HB LYS 107 2HB LYS 107 -8.312 -11.816 -4.079 785 2HB LYS 107 1HB LYS 107 -8.785 -12.710 -5.524 786 1HG LYS 107 2HG LYS 107 -6.845 -13.842 -5.413 787 2HG LYS 107 1HG LYS 107 -5.983 -12.331 -5.700 788 1HD LYS 107 2HD LYS 107 -5.085 -12.712 -3.643 789 2HD LYS 107 1HD LYS 107 -6.623 -12.083 -3.050 790 1HE LYS 107 2HE LYS 107 -7.459 -14.210 -2.557 791 2HE LYS 107 1HE LYS 107 -6.390 -15.008 -3.729 792 1HZ LYS 107 1HZ LYS 107 -4.641 -14.955 -2.323 793 2HZ LYS 107 2HZ LYS 107 -5.850 -14.908 -1.130 794 3HZ LYS 107 3HZ LYS 107 -5.087 -13.473 -1.629 795 H ALA 108 H ALA 108 -9.915 -10.300 -7.367 796 HA ALA 108 HA ALA 108 -8.760 -10.577 -9.985 797 1HB ALA 108 1HB ALA 108 -9.073 -12.807 -10.446 798 2HB ALA 108 2HB ALA 108 -10.520 -12.912 -9.444 799 3HB ALA 108 3HB ALA 108 -8.923 -12.958 -8.695 800 H GLY 109 H GLY 109 -10.402 -10.315 -11.660 801 1HA GLY 109 2HA GLY 109 -13.217 -10.080 -10.844 802 2HA GLY 109 1HA GLY 109 -12.444 -8.555 -11.284 803 H SER 110 H SER 110 -14.613 -10.120 -12.659 804 HA SER 110 HA SER 110 -13.712 -9.712 -15.376 805 1HB SER 110 2HB SER 110 -12.752 -12.004 -14.223 806 2HB SER 110 1HB SER 110 -14.238 -12.595 -14.962 807 HG SER 110 HG SER 110 -13.260 -12.467 -16.808 808 H THR 111 H THR 111 -15.984 -11.307 -13.170 809 HA THR 111 HA THR 111 -18.111 -11.846 -14.966 810 HB THR 111 HB THR 111 -17.970 -11.057 -12.046 811 HG1 THR 111 1HG THR 111 -17.745 -13.130 -11.770 812 1HG2 THR 111 1HG2 THR 111 -20.193 -10.599 -12.307 813 2HG2 THR 111 2HG2 THR 111 -20.338 -12.356 -12.261 814 3HG2 THR 111 3HG2 THR 111 -20.309 -11.513 -13.811 Start of MODEL 10 1 1H ASP 1 1HT ASP 1 24.551 3.815 10.171 2 2H ASP 1 2HT ASP 1 24.903 2.943 11.586 3 3H ASP 1 3HT ASP 1 25.588 4.477 11.339 4 HA ASP 1 HA ASP 1 23.746 4.585 12.933 5 1HB ASP 1 2HB ASP 1 24.362 6.130 10.691 6 2HB ASP 1 1HB ASP 1 22.606 5.985 10.637 7 H LYS 2 H LYS 2 21.138 5.238 12.132 8 HA LYS 2 HA LYS 2 19.909 3.110 10.572 9 1HB LYS 2 2HB LYS 2 18.841 2.021 12.563 10 2HB LYS 2 1HB LYS 2 20.596 1.843 12.549 11 1HG LYS 2 2HG LYS 2 20.724 2.862 14.547 12 2HG LYS 2 1HG LYS 2 19.963 4.301 13.868 13 1HD LYS 2 2HD LYS 2 18.377 3.779 15.456 14 2HD LYS 2 1HD LYS 2 17.767 2.793 14.126 15 1HE LYS 2 2HE LYS 2 18.626 0.799 15.044 16 2HE LYS 2 1HE LYS 2 19.786 1.665 16.070 17 1HZ LYS 2 1HZ LYS 2 18.071 1.184 17.533 18 2HZ LYS 2 2HZ LYS 2 16.858 1.445 16.372 19 3HZ LYS 2 3HZ LYS 2 17.694 2.763 17.043 20 H LEU 3 H LEU 3 17.410 3.166 11.036 21 HA LEU 3 HA LEU 3 16.603 6.010 11.090 22 1HB LEU 3 2HB LEU 3 15.670 3.442 10.037 23 2HB LEU 3 1HB LEU 3 14.363 4.385 10.754 24 HG LEU 3 HG LEU 3 16.340 5.553 8.782 25 1HD1 LEU 3 1HD1 LEU 3 14.428 3.602 8.213 26 2HD1 LEU 3 2HD1 LEU 3 15.164 4.705 7.050 27 3HD1 LEU 3 3HD1 LEU 3 13.625 5.119 7.804 28 1HD2 LEU 3 1HD2 LEU 3 15.331 7.365 9.809 29 2HD2 LEU 3 2HD2 LEU 3 13.867 6.463 10.198 30 3HD2 LEU 3 3HD2 LEU 3 14.134 7.043 8.554 31 H ALA 4 H ALA 4 15.301 6.915 12.705 32 HA ALA 4 HA ALA 4 14.736 5.169 15.081 33 1HB ALA 4 1HB ALA 4 16.194 6.707 15.951 34 2HB ALA 4 2HB ALA 4 14.761 7.733 16.016 35 3HB ALA 4 3HB ALA 4 15.883 7.870 14.663 36 H LEU 5 H LEU 5 12.754 5.731 16.280 37 HA LEU 5 HA LEU 5 10.652 6.903 14.494 38 1HB LEU 5 2HB LEU 5 10.911 4.470 15.929 39 2HB LEU 5 1HB LEU 5 9.663 5.404 16.754 40 HG LEU 5 HG LEU 5 8.453 5.712 14.656 41 1HD1 LEU 5 1HD1 LEU 5 9.499 4.085 12.765 42 2HD1 LEU 5 2HD1 LEU 5 10.984 4.611 13.556 43 3HD1 LEU 5 3HD1 LEU 5 9.883 5.803 12.868 44 1HD2 LEU 5 1HD2 LEU 5 7.517 3.615 14.668 45 2HD2 LEU 5 2HD2 LEU 5 8.558 3.414 16.077 46 3HD2 LEU 5 3HD2 LEU 5 9.075 2.806 14.504 47 H LYS 6 H LYS 6 11.842 8.951 15.616 48 HA LYS 6 HA LYS 6 10.181 9.639 18.016 49 1HB LYS 6 2HB LYS 6 12.563 9.054 18.544 50 2HB LYS 6 1HB LYS 6 13.078 10.373 17.491 51 1HG LYS 6 2HG LYS 6 13.056 11.462 19.540 52 2HG LYS 6 1HG LYS 6 11.413 11.787 18.989 53 1HD LYS 6 2HD LYS 6 11.124 9.338 20.205 54 2HD LYS 6 1HD LYS 6 12.341 10.110 21.222 55 1HE LYS 6 2HE LYS 6 10.232 10.763 22.156 56 2HE LYS 6 1HE LYS 6 10.772 12.171 21.220 57 1HZ LYS 6 1HZ LYS 6 9.344 10.123 19.735 58 2HZ LYS 6 2HZ LYS 6 9.249 11.815 19.615 59 3HZ LYS 6 3HZ LYS 6 8.408 11.000 20.846 60 H GLY 7 H GLY 7 8.959 11.430 17.583 61 1HA GLY 7 2HA GLY 7 10.092 13.713 16.152 62 2HA GLY 7 1HA GLY 7 8.819 12.883 15.253 63 H THR 8 H THR 8 9.154 15.537 16.973 64 HA THR 8 HA THR 8 7.334 15.529 19.122 65 HB THR 8 HB THR 8 7.539 17.746 17.082 66 HG1 THR 8 1HG THR 8 9.440 17.407 19.105 67 1HG2 THR 8 1HG2 THR 8 7.616 19.107 19.200 68 2HG2 THR 8 2HG2 THR 8 7.333 17.617 20.100 69 3HG2 THR 8 3HG2 THR 8 6.112 18.213 18.974 70 H THR 9 H THR 9 5.072 16.479 19.087 71 HA THR 9 HA THR 9 3.253 14.970 17.566 72 HB THR 9 HB THR 9 2.887 16.393 19.640 73 HG1 THR 9 1HG THR 9 1.131 15.545 18.514 74 1HG2 THR 9 1HG2 THR 9 2.238 18.765 19.206 75 2HG2 THR 9 2HG2 THR 9 2.786 18.575 17.541 76 3HG2 THR 9 3HG2 THR 9 3.940 18.448 18.868 77 H TYR 10 H TYR 10 1.764 15.767 15.827 78 HA TYR 10 HA TYR 10 2.554 18.067 14.206 79 1HB TYR 10 2HB TYR 10 3.801 15.496 13.855 80 2HB TYR 10 1HB TYR 10 2.844 15.873 12.423 81 HD1 TYR 10 1HD TYR 10 2.994 18.632 11.946 82 HD2 TYR 10 2HD TYR 10 6.032 16.104 13.626 83 HE1 TYR 10 1HE TYR 10 4.736 20.233 11.202 84 HE2 TYR 10 2HE TYR 10 7.775 17.705 12.883 85 HH TYR 10 HH TYR 10 7.735 20.353 12.362 86 H GLY 11 H GLY 11 1.306 17.841 11.967 87 1HA GLY 11 2HA GLY 11 -1.415 16.809 12.633 88 2HA GLY 11 1HA GLY 11 -1.087 18.118 11.495 89 H MET 12 H MET 12 -2.635 15.827 10.822 90 HA MET 12 HA MET 12 -0.813 14.321 8.980 91 1HB MET 12 2HB MET 12 -2.830 12.734 8.987 92 2HB MET 12 1HB MET 12 -1.965 12.886 10.517 93 1HG MET 12 2HG MET 12 -3.714 13.915 11.547 94 2HG MET 12 1HG MET 12 -4.114 14.870 10.120 95 1HE MET 12 1HE MET 12 -4.649 12.024 12.309 96 2HE MET 12 2HE MET 12 -6.190 11.350 11.785 97 3HE MET 12 3HE MET 12 -6.102 13.032 12.300 98 H CYS 13 H CYS 13 -0.948 15.011 6.872 99 HA CYS 13 HA CYS 13 -3.619 15.838 5.825 100 1HB CYS 13 2HB CYS 13 -1.626 17.506 4.675 101 2HB CYS 13 1HB CYS 13 -2.920 17.982 5.770 102 H THR 14 H THR 14 -3.878 14.206 4.306 103 HA THR 14 HA THR 14 -2.081 14.203 1.990 104 HB THR 14 HB THR 14 -2.382 11.517 3.218 105 HG1 THR 14 1HG THR 14 -0.354 13.179 4.196 106 1HG2 THR 14 1HG2 THR 14 -0.958 12.594 1.141 107 2HG2 THR 14 2HG2 THR 14 -0.554 11.078 1.945 108 3HG2 THR 14 3HG2 THR 14 0.251 12.572 2.425 109 H GLU 15 H GLU 15 -4.935 14.677 2.497 110 HA GLU 15 HA GLU 15 -6.520 12.397 1.730 111 1HB GLU 15 2HB GLU 15 -7.224 14.558 2.872 112 2HB GLU 15 1HB GLU 15 -7.094 15.341 1.296 113 1HG GLU 15 2HG GLU 15 -8.644 12.835 1.267 114 2HG GLU 15 1HG GLU 15 -9.365 14.118 2.240 115 H LYS 16 H LYS 16 -4.164 13.884 -0.054 116 HA LYS 16 HA LYS 16 -5.675 13.731 -2.625 117 1HB LYS 16 2HB LYS 16 -2.915 14.832 -2.021 118 2HB LYS 16 1HB LYS 16 -3.879 15.125 -3.468 119 1HG LYS 16 2HG LYS 16 -5.266 15.788 -0.956 120 2HG LYS 16 1HG LYS 16 -3.834 16.771 -1.267 121 1HD LYS 16 2HD LYS 16 -5.253 16.500 -3.729 122 2HD LYS 16 1HD LYS 16 -6.413 16.973 -2.487 123 1HE LYS 16 2HE LYS 16 -4.105 18.536 -2.005 124 2HE LYS 16 1HE LYS 16 -4.391 18.598 -3.756 125 1HZ LYS 16 1HZ LYS 16 -6.154 19.411 -1.557 126 2HZ LYS 16 2HZ LYS 16 -6.866 18.782 -2.966 127 3HZ LYS 16 3HZ LYS 16 -5.882 20.164 -3.052 128 H PHE 17 H PHE 17 -5.324 11.200 -1.880 129 HA PHE 17 HA PHE 17 -2.690 10.195 -2.814 130 1HB PHE 17 2HB PHE 17 -4.802 9.385 -1.030 131 2HB PHE 17 1HB PHE 17 -4.560 8.122 -2.238 132 HD1 PHE 17 1HD PHE 17 -1.904 10.460 -1.170 133 HD2 PHE 17 2HD PHE 17 -3.527 6.504 -0.757 134 HE1 PHE 17 1HE PHE 17 0.164 9.732 -0.015 135 HE2 PHE 17 2HE PHE 17 -1.459 5.777 0.402 136 HZ PHE 17 HZ PHE 17 0.388 7.391 0.772 137 H SER 18 H SER 18 -2.457 9.045 -4.767 138 HA SER 18 HA SER 18 -4.921 8.835 -6.475 139 1HB SER 18 2HB SER 18 -3.229 10.719 -6.930 140 2HB SER 18 1HB SER 18 -2.123 9.448 -7.446 141 HG SER 18 HG SER 18 -4.737 9.475 -8.452 142 H PHE 19 H PHE 19 -5.198 6.577 -6.226 143 HA PHE 19 HA PHE 19 -3.179 4.594 -6.136 144 1HB PHE 19 2HB PHE 19 -5.859 4.299 -7.508 145 2HB PHE 19 1HB PHE 19 -4.983 3.092 -6.568 146 HD1 PHE 19 1HD PHE 19 -7.459 5.676 -6.468 147 HD2 PHE 19 2HD PHE 19 -4.550 3.620 -4.068 148 HE1 PHE 19 1HE PHE 19 -8.623 6.430 -4.413 149 HE2 PHE 19 2HE PHE 19 -5.714 4.374 -2.013 150 HZ PHE 19 HZ PHE 19 -7.750 5.779 -2.184 151 H ALA 20 H ALA 20 -1.526 4.929 -7.689 152 HA ALA 20 HA ALA 20 -2.184 5.293 -10.529 153 1HB ALA 20 1HB ALA 20 -0.205 6.200 -9.060 154 2HB ALA 20 2HB ALA 20 0.117 5.716 -10.725 155 3HB ALA 20 3HB ALA 20 0.524 4.631 -9.396 156 H LYS 21 H LYS 21 -1.196 2.655 -8.390 157 HA LYS 21 HA LYS 21 -1.614 0.763 -10.662 158 1HB LYS 21 2HB LYS 21 0.729 0.583 -8.758 159 2HB LYS 21 1HB LYS 21 0.513 -0.253 -10.297 160 1HG LYS 21 2HG LYS 21 0.436 2.123 -11.335 161 2HG LYS 21 1HG LYS 21 1.146 2.654 -9.812 162 1HD LYS 21 2HD LYS 21 2.998 1.039 -10.122 163 2HD LYS 21 1HD LYS 21 2.300 0.551 -11.667 164 1HE LYS 21 2HE LYS 21 2.898 3.461 -11.152 165 2HE LYS 21 1HE LYS 21 4.186 2.363 -11.688 166 1HZ LYS 21 1HZ LYS 21 1.619 2.132 -13.044 167 2HZ LYS 21 2HZ LYS 21 3.192 1.998 -13.670 168 3HZ LYS 21 3HZ LYS 21 2.516 3.530 -13.384 169 H ASN 22 H ASN 22 -2.446 -1.249 -9.986 170 HA ASN 22 HA ASN 22 -3.808 -1.369 -7.455 171 1HB ASN 22 2HB ASN 22 -4.501 -3.519 -8.261 172 2HB ASN 22 1HB ASN 22 -4.324 -2.505 -9.695 173 1HD2 ASN 22 1HD2 ASN 22 -2.795 -3.157 -11.264 174 2HD2 ASN 22 2HD2 ASN 22 -1.747 -4.479 -11.070 175 HA PRO 23 HA PRO 23 -0.755 -3.092 -4.821 176 1HB PRO 23 2HB PRO 23 -2.197 -4.914 -3.371 177 2HB PRO 23 1HB PRO 23 -2.356 -3.160 -3.150 178 1HG PRO 23 2HG PRO 23 -4.107 -5.044 -4.650 179 2HG PRO 23 1HG PRO 23 -4.544 -3.657 -3.639 180 1HD PRO 23 2HD PRO 23 -4.518 -3.577 -6.363 181 2HD PRO 23 1HD PRO 23 -4.232 -2.153 -5.337 182 H ALA 24 H ALA 24 0.804 -4.677 -5.094 183 HA ALA 24 HA ALA 24 -0.027 -7.240 -6.418 184 1HB ALA 24 1HB ALA 24 2.603 -5.817 -6.854 185 2HB ALA 24 2HB ALA 24 1.171 -5.402 -7.798 186 3HB ALA 24 3HB ALA 24 1.837 -7.034 -7.874 187 H ASP 25 H ASP 25 1.471 -9.053 -5.941 188 HA ASP 25 HA ASP 25 2.507 -8.884 -3.164 189 1HB ASP 25 2HB ASP 25 2.582 -11.375 -3.457 190 2HB ASP 25 1HB ASP 25 0.986 -10.695 -3.782 191 H THR 26 H THR 26 4.698 -9.213 -2.665 192 HA THR 26 HA THR 26 6.576 -9.241 -4.999 193 HB THR 26 HB THR 26 7.718 -8.525 -2.428 194 HG1 THR 26 1HG THR 26 6.203 -7.316 -1.666 195 1HG2 THR 26 1HG2 THR 26 8.249 -7.931 -4.963 196 2HG2 THR 26 2HG2 THR 26 8.649 -6.807 -3.663 197 3HG2 THR 26 3HG2 THR 26 7.188 -6.564 -4.620 198 H GLY 27 H GLY 27 5.987 -10.623 -1.770 199 1HA GLY 27 2HA GLY 27 7.579 -12.996 -2.581 200 2HA GLY 27 1HA GLY 27 8.007 -12.187 -1.073 201 H HIS 28 H HIS 28 6.849 -12.703 0.749 202 HA HIS 28 HA HIS 28 4.312 -14.261 0.380 203 1HB HIS 28 2HB HIS 28 6.306 -15.668 0.906 204 2HB HIS 28 1HB HIS 28 6.544 -14.736 2.383 205 HD1 HIS 28 1HD HIS 28 3.035 -15.408 1.384 206 HD2 HIS 28 2HD HIS 28 5.886 -17.136 3.887 207 HE1 HIS 28 1HE HIS 28 1.792 -17.045 2.864 208 H GLY 29 H GLY 29 2.935 -12.534 0.986 209 1HA GLY 29 2HA GLY 29 1.664 -11.553 2.772 210 2HA GLY 29 1HA GLY 29 3.030 -11.818 3.856 211 H THR 30 H THR 30 3.406 -10.352 0.684 212 HA THR 30 HA THR 30 3.795 -7.684 1.991 213 HB THR 30 HB THR 30 5.848 -7.489 0.553 214 HG1 THR 30 1HG THR 30 4.919 -9.320 -0.803 215 1HG2 THR 30 1HG2 THR 30 6.781 -9.777 1.885 216 2HG2 THR 30 2HG2 THR 30 5.442 -9.184 2.868 217 3HG2 THR 30 3HG2 THR 30 6.798 -8.121 2.491 218 H VAL 31 H VAL 31 2.318 -6.359 0.985 219 HA VAL 31 HA VAL 31 1.791 -6.769 -1.911 220 HB VAL 31 HB VAL 31 0.158 -5.392 0.240 221 1HG1 VAL 31 1HG1 VAL 31 -0.910 -6.383 -2.383 222 2HG1 VAL 31 2HG1 VAL 31 -0.061 -4.838 -2.335 223 3HG1 VAL 31 3HG1 VAL 31 -1.508 -5.080 -1.356 224 1HG2 VAL 31 1HG2 VAL 31 0.586 -7.996 0.275 225 2HG2 VAL 31 2HG2 VAL 31 -0.561 -8.002 -1.064 226 3HG2 VAL 31 3HG2 VAL 31 -1.047 -7.373 0.511 227 H VAL 32 H VAL 32 2.624 -5.201 -3.243 228 HA VAL 32 HA VAL 32 3.430 -2.599 -2.004 229 HB VAL 32 HB VAL 32 4.300 -3.631 -4.695 230 1HG1 VAL 32 1HG1 VAL 32 5.895 -2.207 -2.562 231 2HG1 VAL 32 2HG1 VAL 32 4.874 -1.324 -3.697 232 3HG1 VAL 32 3HG1 VAL 32 6.220 -2.295 -4.293 233 1HG2 VAL 32 1HG2 VAL 32 4.837 -5.560 -3.512 234 2HG2 VAL 32 2HG2 VAL 32 5.009 -4.698 -1.984 235 3HG2 VAL 32 3HG2 VAL 32 6.277 -4.590 -3.203 236 H ILE 33 H ILE 33 2.901 -0.641 -3.112 237 HA ILE 33 HA ILE 33 1.096 -0.777 -5.468 238 HB ILE 33 HB ILE 33 -0.395 -1.016 -3.559 239 1HG1 ILE 33 2HG1 ILE 33 -0.524 1.920 -4.238 240 2HG1 ILE 33 1HG1 ILE 33 -0.858 0.698 -5.465 241 1HG2 ILE 33 1HG2 ILE 33 1.371 1.130 -2.453 242 2HG2 ILE 33 2HG2 ILE 33 0.707 -0.297 -1.656 243 3HG2 ILE 33 3HG2 ILE 33 -0.320 1.107 -1.950 244 1HD1 ILE 33 1HD1 ILE 33 -2.940 1.409 -4.353 245 2HD1 ILE 33 2HD1 ILE 33 -2.268 0.942 -2.791 246 3HD1 ILE 33 3HD1 ILE 33 -2.595 -0.287 -4.012 247 H GLU 34 H GLU 34 0.665 1.513 -6.266 248 HA GLU 34 HA GLU 34 2.784 3.428 -5.372 249 1HB GLU 34 2HB GLU 34 3.199 1.899 -7.477 250 2HB GLU 34 1HB GLU 34 2.115 3.040 -8.275 251 1HG GLU 34 2HG GLU 34 4.156 4.083 -8.637 252 2HG GLU 34 1HG GLU 34 3.680 4.835 -7.114 253 H LEU 35 H LEU 35 1.423 5.016 -4.529 254 HA LEU 35 HA LEU 35 -0.789 5.994 -6.305 255 1HB LEU 35 2HB LEU 35 -0.532 6.571 -3.360 256 2HB LEU 35 1HB LEU 35 -1.993 6.482 -4.345 257 HG LEU 35 HG LEU 35 -1.236 3.970 -4.677 258 1HD1 LEU 35 1HD1 LEU 35 0.628 4.990 -2.734 259 2HD1 LEU 35 2HD1 LEU 35 0.556 3.381 -3.454 260 3HD1 LEU 35 3HD1 LEU 35 -0.365 3.735 -1.993 261 1HD2 LEU 35 1HD2 LEU 35 -2.793 3.367 -3.012 262 2HD2 LEU 35 2HD2 LEU 35 -3.263 5.018 -3.415 263 3HD2 LEU 35 3HD2 LEU 35 -2.321 4.701 -1.959 264 H SER 36 H SER 36 -0.681 8.158 -6.933 265 HA SER 36 HA SER 36 1.769 9.626 -6.313 266 1HB SER 36 2HB SER 36 -0.602 10.479 -7.981 267 2HB SER 36 1HB SER 36 1.070 11.010 -8.137 268 HG SER 36 HG SER 36 1.614 9.058 -8.962 269 H TYR 37 H TYR 37 1.859 11.142 -4.690 270 HA TYR 37 HA TYR 37 -0.693 11.914 -3.400 271 1HB TYR 37 2HB TYR 37 0.949 11.255 -1.847 272 2HB TYR 37 1HB TYR 37 2.246 12.040 -2.747 273 HD1 TYR 37 1HD TYR 37 -1.014 12.988 -1.134 274 HD2 TYR 37 2HD TYR 37 3.099 14.005 -1.842 275 HE1 TYR 37 1HE TYR 37 -1.277 15.023 0.259 276 HE2 TYR 37 2HE TYR 37 2.836 16.040 -0.449 277 HH TYR 37 HH TYR 37 1.341 16.820 1.399 278 H SER 38 H SER 38 -1.627 13.561 -4.632 279 HA SER 38 HA SER 38 0.065 15.751 -5.645 280 1HB SER 38 2HB SER 38 -2.386 14.403 -6.365 281 2HB SER 38 1HB SER 38 -2.664 16.140 -6.264 282 HG SER 38 HG SER 38 -1.281 14.699 -8.101 283 H GLY 39 H GLY 39 0.344 16.316 -3.196 284 1HA GLY 39 2HA GLY 39 -1.961 18.011 -2.323 285 2HA GLY 39 1HA GLY 39 -0.845 17.228 -1.203 286 H SER 40 H SER 40 -1.562 20.164 -2.439 287 HA SER 40 HA SER 40 1.138 21.156 -3.009 288 1HB SER 40 2HB SER 40 -0.041 22.938 -3.815 289 2HB SER 40 1HB SER 40 -1.431 21.871 -3.643 290 HG SER 40 HG SER 40 -1.537 24.015 -2.596 291 H ASP 41 H ASP 41 0.006 20.088 -0.204 292 HA ASP 41 HA ASP 41 0.744 22.440 1.464 293 1HB ASP 41 2HB ASP 41 -0.403 19.696 2.082 294 2HB ASP 41 1HB ASP 41 -0.163 20.975 3.273 295 H GLY 42 H GLY 42 2.294 19.876 0.000 296 1HA GLY 42 2HA GLY 42 4.620 19.366 0.274 297 2HA GLY 42 1HA GLY 42 4.564 20.087 1.883 298 HA PRO 43 HA PRO 43 4.539 15.550 2.494 299 1HB PRO 43 2HB PRO 43 6.196 15.617 4.675 300 2HB PRO 43 1HB PRO 43 6.794 15.557 3.004 301 1HG PRO 43 2HG PRO 43 6.566 17.875 4.851 302 2HG PRO 43 1HG PRO 43 7.836 17.486 3.682 303 1HD PRO 43 2HD PRO 43 5.891 19.343 3.226 304 2HD PRO 43 1HD PRO 43 6.695 18.424 1.933 305 H CYS 44 H CYS 44 3.393 14.406 4.151 306 HA CYS 44 HA CYS 44 2.579 15.656 6.646 307 1HB CYS 44 2HB CYS 44 1.054 16.040 4.163 308 2HB CYS 44 1HB CYS 44 0.081 15.410 5.488 309 H LYS 45 H LYS 45 1.043 14.201 7.835 310 HA LYS 45 HA LYS 45 1.670 11.402 7.389 311 1HB LYS 45 2HB LYS 45 -0.505 12.512 9.169 312 2HB LYS 45 1HB LYS 45 0.518 11.103 9.444 313 1HG LYS 45 2HG LYS 45 1.286 14.021 9.605 314 2HG LYS 45 1HG LYS 45 1.412 12.790 10.859 315 1HD LYS 45 2HD LYS 45 3.182 11.657 9.670 316 2HD LYS 45 1HD LYS 45 2.968 12.694 8.261 317 1HE LYS 45 2HE LYS 45 3.547 14.673 9.754 318 2HE LYS 45 1HE LYS 45 4.023 13.491 10.990 319 1HZ LYS 45 1HZ LYS 45 5.952 13.917 9.713 320 2HZ LYS 45 2HZ LYS 45 5.108 13.782 8.244 321 3HZ LYS 45 3HZ LYS 45 5.382 12.404 9.199 322 H ILE 46 H ILE 46 0.486 9.922 6.211 323 HA ILE 46 HA ILE 46 -1.947 10.851 4.819 324 HB ILE 46 HB ILE 46 -0.713 8.113 4.619 325 1HG1 ILE 46 2HG1 ILE 46 0.422 10.713 3.550 326 2HG1 ILE 46 1HG1 ILE 46 1.225 9.553 4.607 327 1HG2 ILE 46 1HG2 ILE 46 -2.605 9.716 3.149 328 2HG2 ILE 46 2HG2 ILE 46 -2.125 8.044 2.862 329 3HG2 ILE 46 3HG2 ILE 46 -1.220 9.360 2.115 330 1HD1 ILE 46 1HD1 ILE 46 0.563 7.927 2.539 331 2HD1 ILE 46 2HD1 ILE 46 2.103 8.780 2.646 332 3HD1 ILE 46 3HD1 ILE 46 0.791 9.449 1.677 333 HA PRO 47 HA PRO 47 -4.248 8.720 8.044 334 1HB PRO 47 2HB PRO 47 -6.604 10.014 7.552 335 2HB PRO 47 1HB PRO 47 -5.292 10.735 8.504 336 1HG PRO 47 2HG PRO 47 -6.116 11.274 5.713 337 2HG PRO 47 1HG PRO 47 -5.413 12.363 6.917 338 1HD PRO 47 2HD PRO 47 -4.043 11.179 4.806 339 2HD PRO 47 1HD PRO 47 -3.300 11.901 6.249 340 H ILE 48 H ILE 48 -3.835 6.949 6.213 341 HA ILE 48 HA ILE 48 -6.396 6.431 4.743 342 HB ILE 48 HB ILE 48 -3.484 5.844 4.280 343 1HG1 ILE 48 2HG1 ILE 48 -4.076 6.673 2.021 344 2HG1 ILE 48 1HG1 ILE 48 -5.759 6.826 2.526 345 1HG2 ILE 48 1HG2 ILE 48 -5.842 4.214 3.366 346 2HG2 ILE 48 2HG2 ILE 48 -4.259 3.664 3.916 347 3HG2 ILE 48 3HG2 ILE 48 -4.435 4.386 2.316 348 1HD1 ILE 48 1HD1 ILE 48 -4.186 8.926 2.636 349 2HD1 ILE 48 2HD1 ILE 48 -3.604 8.180 4.124 350 3HD1 ILE 48 3HD1 ILE 48 -5.306 8.612 3.961 351 H VAL 49 H VAL 49 -7.391 4.401 5.001 352 HA VAL 49 HA VAL 49 -6.265 2.670 7.180 353 HB VAL 49 HB VAL 49 -8.654 2.167 7.655 354 1HG1 VAL 49 1HG1 VAL 49 -7.502 4.906 7.723 355 2HG1 VAL 49 2HG1 VAL 49 -8.087 3.897 9.046 356 3HG1 VAL 49 3HG1 VAL 49 -9.233 4.780 8.038 357 1HG2 VAL 49 1HG2 VAL 49 -9.255 4.296 5.581 358 2HG2 VAL 49 2HG2 VAL 49 -10.418 3.313 6.472 359 3HG2 VAL 49 3HG2 VAL 49 -9.379 2.566 5.258 360 H SER 50 H SER 50 -6.078 0.477 6.718 361 HA SER 50 HA SER 50 -7.035 -0.423 4.018 362 1HB SER 50 2HB SER 50 -4.452 -0.368 5.302 363 2HB SER 50 1HB SER 50 -4.904 -2.039 4.977 364 HG SER 50 HG SER 50 -4.323 -1.592 3.009 365 H VAL 51 H VAL 51 -8.945 -1.486 4.648 366 HA VAL 51 HA VAL 51 -8.613 -3.678 6.671 367 HB VAL 51 HB VAL 51 -11.020 -3.224 7.188 368 1HG1 VAL 51 1HG1 VAL 51 -8.856 -1.187 7.499 369 2HG1 VAL 51 2HG1 VAL 51 -9.703 -2.119 8.732 370 3HG1 VAL 51 3HG1 VAL 51 -10.489 -0.731 7.981 371 1HG2 VAL 51 1HG2 VAL 51 -10.898 -1.839 4.742 372 2HG2 VAL 51 2HG2 VAL 51 -11.089 -0.589 5.971 373 3HG2 VAL 51 3HG2 VAL 51 -12.265 -1.896 5.854 374 H ALA 52 H ALA 52 -9.996 -5.572 6.257 375 HA ALA 52 HA ALA 52 -9.920 -6.558 3.604 376 1HB ALA 52 1HB ALA 52 -10.110 -8.068 5.433 377 2HB ALA 52 2HB ALA 52 -11.666 -8.182 4.611 378 3HB ALA 52 3HB ALA 52 -11.515 -7.224 6.085 379 H SER 53 H SER 53 -11.856 -7.076 2.214 380 HA SER 53 HA SER 53 -13.481 -4.710 1.778 381 1HB SER 53 2HB SER 53 -13.107 -7.433 0.603 382 2HB SER 53 1HB SER 53 -14.577 -6.558 0.182 383 HG SER 53 HG SER 53 -12.817 -4.761 -0.079 384 H LEU 54 H LEU 54 -14.973 -4.301 3.380 385 HA LEU 54 HA LEU 54 -17.400 -4.785 3.873 386 1HB LEU 54 2HB LEU 54 -17.189 -7.067 2.929 387 2HB LEU 54 1HB LEU 54 -16.241 -7.551 4.339 388 HG LEU 54 HG LEU 54 -18.610 -6.297 5.297 389 1HD1 LEU 54 1HD1 LEU 54 -19.867 -6.682 3.364 390 2HD1 LEU 54 2HD1 LEU 54 -20.170 -8.151 4.293 391 3HD1 LEU 54 3HD1 LEU 54 -18.998 -8.166 2.975 392 1HD2 LEU 54 1HD2 LEU 54 -18.150 -9.272 5.216 393 2HD2 LEU 54 2HD2 LEU 54 -18.811 -8.290 6.523 394 3HD2 LEU 54 3HD2 LEU 54 -17.085 -8.237 6.166 395 H ASN 55 H ASN 55 -14.710 -4.110 5.306 396 HA ASN 55 HA ASN 55 -15.843 -4.426 8.057 397 1HB ASN 55 2HB ASN 55 -13.841 -5.986 7.124 398 2HB ASN 55 1HB ASN 55 -12.896 -4.618 7.708 399 1HD2 ASN 55 1HD2 ASN 55 -14.755 -3.922 9.889 400 2HD2 ASN 55 2HD2 ASN 55 -14.610 -5.141 11.059 401 H ASP 56 H ASP 56 -16.442 -2.135 7.756 402 HA ASP 56 HA ASP 56 -14.183 -0.211 7.536 403 1HB ASP 56 2HB ASP 56 -17.201 -0.085 7.440 404 2HB ASP 56 1HB ASP 56 -16.232 1.383 7.563 405 H MET 57 H MET 57 -15.163 -2.013 9.961 406 HA MET 57 HA MET 57 -15.122 0.228 11.961 407 1HB MET 57 2HB MET 57 -17.293 -1.139 11.528 408 2HB MET 57 1HB MET 57 -16.460 -2.445 12.368 409 1HG MET 57 2HG MET 57 -16.039 -0.823 14.268 410 2HG MET 57 1HG MET 57 -17.121 0.304 13.451 411 1HE MET 57 1HE MET 57 -20.337 -0.316 14.272 412 2HE MET 57 2HE MET 57 -18.922 0.711 14.057 413 3HE MET 57 3HE MET 57 -19.327 0.106 15.661 414 H THR 58 H THR 58 -13.672 -2.663 10.838 415 HA THR 58 HA THR 58 -12.035 -2.827 13.346 416 HB THR 58 HB THR 58 -12.714 -5.159 11.551 417 HG1 THR 58 1HG THR 58 -14.422 -5.557 13.035 418 1HG2 THR 58 1HG2 THR 58 -11.760 -6.430 13.181 419 2HG2 THR 58 2HG2 THR 58 -12.420 -5.433 14.479 420 3HG2 THR 58 3HG2 THR 58 -10.964 -4.920 13.626 421 HA PRO 59 HA PRO 59 -8.800 -2.137 10.379 422 1HB PRO 59 2HB PRO 59 -6.714 -2.405 12.132 423 2HB PRO 59 1HB PRO 59 -7.722 -0.946 12.046 424 1HG PRO 59 2HG PRO 59 -7.815 -3.200 13.987 425 2HG PRO 59 1HG PRO 59 -8.048 -1.466 14.258 426 1HD PRO 59 2HD PRO 59 -10.101 -3.259 14.095 427 2HD PRO 59 1HD PRO 59 -10.259 -1.539 13.676 428 H VAL 60 H VAL 60 -7.828 -3.633 9.039 429 HA VAL 60 HA VAL 60 -7.013 -6.266 10.193 430 HB VAL 60 HB VAL 60 -8.529 -5.913 7.598 431 1HG1 VAL 60 1HG1 VAL 60 -7.130 -7.999 8.079 432 2HG1 VAL 60 2HG1 VAL 60 -8.831 -8.280 7.706 433 3HG1 VAL 60 3HG1 VAL 60 -8.272 -8.346 9.378 434 1HG2 VAL 60 1HG2 VAL 60 -10.518 -6.717 8.900 435 2HG2 VAL 60 2HG2 VAL 60 -9.971 -5.115 9.394 436 3HG2 VAL 60 3HG2 VAL 60 -9.579 -6.524 10.380 437 H GLY 61 H GLY 61 -6.918 -4.096 7.405 438 1HA GLY 61 2HA GLY 61 -4.595 -5.397 6.224 439 2HA GLY 61 1HA GLY 61 -5.292 -3.859 5.708 440 H ARG 62 H ARG 62 -2.445 -4.885 6.582 441 HA ARG 62 HA ARG 62 -1.909 -2.619 8.481 442 1HB ARG 62 2HB ARG 62 -0.558 -5.310 8.104 443 2HB ARG 62 1HB ARG 62 -0.012 -4.070 9.234 444 1HG ARG 62 2HG ARG 62 -2.704 -4.287 9.825 445 2HG ARG 62 1HG ARG 62 -2.249 -5.954 9.469 446 1HD ARG 62 2HD ARG 62 -0.179 -4.740 11.069 447 2HD ARG 62 1HD ARG 62 -1.749 -4.532 11.870 448 HE ARG 62 HE ARG 62 -1.972 -7.102 11.137 449 1HH1 ARG 62 1HH1 ARG 62 1.071 -7.016 10.703 450 2HH1 ARG 62 2HH1 ARG 62 1.627 -7.674 12.204 451 1HH2 ARG 62 1HH2 ARG 62 -1.411 -7.254 13.820 452 2HH2 ARG 62 2HH2 ARG 62 0.222 -7.810 13.970 453 H LEU 63 H LEU 63 0.028 -1.394 8.095 454 HA LEU 63 HA LEU 63 0.904 -1.395 5.257 455 1HB LEU 63 2HB LEU 63 1.450 0.486 7.580 456 2HB LEU 63 1HB LEU 63 1.810 0.811 5.884 457 HG LEU 63 HG LEU 63 -0.940 0.000 6.126 458 1HD1 LEU 63 1HD1 LEU 63 -1.020 0.776 8.372 459 2HD1 LEU 63 2HD1 LEU 63 -1.632 2.122 7.409 460 3HD1 LEU 63 3HD1 LEU 63 0.024 2.152 8.016 461 1HD2 LEU 63 1HD2 LEU 63 -1.309 1.959 4.847 462 2HD2 LEU 63 2HD2 LEU 63 0.320 1.457 4.393 463 3HD2 LEU 63 3HD2 LEU 63 0.093 2.776 5.540 464 H VAL 64 H VAL 64 2.804 -2.390 4.709 465 HA VAL 64 HA VAL 64 4.605 -3.430 6.774 466 HB VAL 64 HB VAL 64 4.651 -3.394 3.740 467 1HG1 VAL 64 1HG1 VAL 64 6.141 -5.553 4.879 468 2HG1 VAL 64 2HG1 VAL 64 6.714 -4.051 5.604 469 3HG1 VAL 64 3HG1 VAL 64 6.729 -4.246 3.852 470 1HG2 VAL 64 1HG2 VAL 64 3.497 -5.387 3.811 471 2HG2 VAL 64 2HG2 VAL 64 2.875 -4.678 5.302 472 3HG2 VAL 64 3HG2 VAL 64 4.189 -5.852 5.365 473 H THR 65 H THR 65 4.714 -0.881 4.285 474 HA THR 65 HA THR 65 7.473 -0.165 4.651 475 HB THR 65 HB THR 65 5.789 0.402 2.781 476 HG1 THR 65 1HG THR 65 7.835 1.328 2.844 477 1HG2 THR 65 1HG2 THR 65 4.471 2.409 3.064 478 2HG2 THR 65 2HG2 THR 65 5.154 2.686 4.666 479 3HG2 THR 65 3HG2 THR 65 4.081 1.313 4.389 480 H VAL 66 H VAL 66 8.040 2.134 5.530 481 HA VAL 66 HA VAL 66 7.636 2.287 8.305 482 HB VAL 66 HB VAL 66 8.322 4.734 7.847 483 1HG1 VAL 66 1HG1 VAL 66 10.011 2.607 6.515 484 2HG1 VAL 66 2HG1 VAL 66 9.870 2.771 8.265 485 3HG1 VAL 66 3HG1 VAL 66 10.571 4.077 7.311 486 1HG2 VAL 66 1HG2 VAL 66 9.085 4.052 5.111 487 2HG2 VAL 66 2HG2 VAL 66 8.318 5.517 5.725 488 3HG2 VAL 66 3HG2 VAL 66 7.334 4.110 5.321 489 H ASN 67 H ASN 67 6.578 4.447 9.281 490 HA ASN 67 HA ASN 67 3.804 4.250 9.275 491 1HB ASN 67 2HB ASN 67 5.861 6.079 10.140 492 2HB ASN 67 1HB ASN 67 4.463 6.993 9.575 493 1HD2 ASN 67 1HD2 ASN 67 5.647 5.934 12.390 494 2HD2 ASN 67 2HD2 ASN 67 4.223 5.491 13.199 495 HA PRO 68 HA PRO 68 2.583 5.753 5.318 496 1HB PRO 68 2HB PRO 68 -0.036 6.306 5.886 497 2HB PRO 68 1HB PRO 68 0.583 4.655 5.685 498 1HG PRO 68 2HG PRO 68 -0.030 6.157 8.176 499 2HG PRO 68 1HG PRO 68 -0.264 4.443 7.804 500 1HD PRO 68 2HD PRO 68 1.803 5.412 9.317 501 2HD PRO 68 1HD PRO 68 1.869 3.891 8.401 502 H PHE 69 H PHE 69 4.065 7.723 6.127 503 HA PHE 69 HA PHE 69 2.316 10.161 6.219 504 1HB PHE 69 2HB PHE 69 5.022 9.677 7.510 505 2HB PHE 69 1HB PHE 69 4.093 11.170 7.613 506 HD1 PHE 69 1HD PHE 69 5.024 9.321 9.933 507 HD2 PHE 69 2HD PHE 69 1.348 9.649 7.739 508 HE1 PHE 69 1HE PHE 69 3.780 8.419 11.880 509 HE2 PHE 69 2HE PHE 69 0.104 8.745 9.682 510 HZ PHE 69 HZ PHE 69 1.320 8.131 11.755 511 H VAL 70 H VAL 70 2.599 11.357 4.368 512 HA VAL 70 HA VAL 70 4.700 10.804 2.459 513 HB VAL 70 HB VAL 70 2.615 12.968 2.831 514 1HG1 VAL 70 1HG1 VAL 70 4.960 12.971 1.112 515 2HG1 VAL 70 2HG1 VAL 70 3.767 14.244 1.370 516 3HG1 VAL 70 3HG1 VAL 70 3.474 12.994 0.162 517 1HG2 VAL 70 1HG2 VAL 70 2.029 11.681 0.524 518 2HG2 VAL 70 2HG2 VAL 70 1.434 11.145 2.094 519 3HG2 VAL 70 3HG2 VAL 70 2.854 10.381 1.384 520 H ALA 71 H ALA 71 6.276 11.172 4.542 521 HA ALA 71 HA ALA 71 7.038 14.035 4.789 522 1HB ALA 71 1HB ALA 71 7.918 11.473 6.157 523 2HB ALA 71 2HB ALA 71 6.823 12.691 6.810 524 3HB ALA 71 3HB ALA 71 8.528 13.075 6.573 525 H THR 72 H THR 72 7.668 13.676 2.315 526 HA THR 72 HA THR 72 10.597 13.104 2.283 527 HB THR 72 HB THR 72 9.390 12.165 -0.143 528 HG1 THR 72 1HG THR 72 8.309 11.084 2.245 529 1HG2 THR 72 1HG2 THR 72 11.100 11.187 2.060 530 2HG2 THR 72 2HG2 THR 72 11.305 11.023 0.316 531 3HG2 THR 72 3HG2 THR 72 10.219 9.936 1.183 532 H SER 73 H SER 73 11.557 13.929 0.150 533 HA SER 73 HA SER 73 10.402 16.591 -0.441 534 1HB SER 73 2HB SER 73 12.585 17.125 -0.906 535 2HB SER 73 1HB SER 73 12.920 15.650 -0.004 536 HG SER 73 HG SER 73 13.861 15.887 -2.201 537 H SER 74 H SER 74 10.455 13.435 -1.812 538 HA SER 74 HA SER 74 9.606 14.552 -4.468 539 1HB SER 74 2HB SER 74 11.088 12.015 -3.714 540 2HB SER 74 1HB SER 74 10.520 12.372 -5.343 541 HG SER 74 HG SER 74 12.297 13.462 -5.541 542 H ALA 75 H ALA 75 8.044 13.720 -1.930 543 HA ALA 75 HA ALA 75 6.570 11.321 -2.741 544 1HB ALA 75 1HB ALA 75 6.874 13.075 -0.457 545 2HB ALA 75 2HB ALA 75 6.261 11.422 -0.507 546 3HB ALA 75 3HB ALA 75 5.165 12.778 -0.775 547 H ASN 76 H ASN 76 6.598 14.221 -4.160 548 HA ASN 76 HA ASN 76 3.715 14.736 -4.286 549 1HB ASN 76 2HB ASN 76 6.201 15.948 -5.520 550 2HB ASN 76 1HB ASN 76 4.578 16.538 -5.880 551 1HD2 ASN 76 1HD2 ASN 76 7.181 16.811 -3.667 552 2HD2 ASN 76 2HD2 ASN 76 6.361 17.669 -2.452 553 H SER 77 H SER 77 5.258 12.255 -5.394 554 HA SER 77 HA SER 77 3.980 12.336 -8.095 555 1HB SER 77 2HB SER 77 6.346 12.641 -8.411 556 2HB SER 77 1HB SER 77 6.725 11.387 -7.235 557 HG SER 77 HG SER 77 5.525 11.106 -9.790 558 H LYS 78 H LYS 78 4.304 9.770 -8.872 559 HA LYS 78 HA LYS 78 2.466 8.271 -7.272 560 1HB LYS 78 2HB LYS 78 3.075 6.463 -8.827 561 2HB LYS 78 1HB LYS 78 2.927 7.984 -9.709 562 1HG LYS 78 2HG LYS 78 5.538 8.120 -9.050 563 2HG LYS 78 1HG LYS 78 5.353 6.367 -9.114 564 1HD LYS 78 2HD LYS 78 4.237 8.054 -11.336 565 2HD LYS 78 1HD LYS 78 5.961 7.680 -11.307 566 1HE LYS 78 2HE LYS 78 4.736 5.226 -10.754 567 2HE LYS 78 1HE LYS 78 3.730 5.947 -12.027 568 1HZ LYS 78 1HZ LYS 78 5.595 6.297 -13.389 569 2HZ LYS 78 2HZ LYS 78 5.783 4.715 -12.801 570 3HZ LYS 78 3HZ LYS 78 6.690 5.987 -12.132 571 H VAL 79 H VAL 79 3.342 8.264 -5.100 572 HA VAL 79 HA VAL 79 6.007 7.271 -4.535 573 HB VAL 79 HB VAL 79 5.111 7.402 -2.204 574 1HG1 VAL 79 1HG1 VAL 79 5.282 9.679 -2.209 575 2HG1 VAL 79 2HG1 VAL 79 4.034 9.865 -3.442 576 3HG1 VAL 79 3HG1 VAL 79 5.681 9.443 -3.910 577 1HG2 VAL 79 1HG2 VAL 79 2.699 6.838 -3.377 578 2HG2 VAL 79 2HG2 VAL 79 2.562 8.576 -3.110 579 3HG2 VAL 79 3HG2 VAL 79 2.881 7.497 -1.752 580 H LEU 80 H LEU 80 6.164 5.272 -2.976 581 HA LEU 80 HA LEU 80 4.361 3.112 -4.024 582 1HB LEU 80 2HB LEU 80 6.832 3.198 -4.665 583 2HB LEU 80 1HB LEU 80 7.186 2.850 -2.973 584 HG LEU 80 HG LEU 80 5.213 1.099 -4.375 585 1HD1 LEU 80 1HD1 LEU 80 7.063 -0.322 -5.212 586 2HD1 LEU 80 2HD1 LEU 80 8.223 0.905 -4.703 587 3HD1 LEU 80 3HD1 LEU 80 7.066 1.262 -5.986 588 1HD2 LEU 80 1HD2 LEU 80 5.485 -0.008 -2.431 589 2HD2 LEU 80 2HD2 LEU 80 6.707 1.158 -1.924 590 3HD2 LEU 80 3HD2 LEU 80 7.181 -0.273 -2.838 591 H VAL 81 H VAL 81 3.007 2.341 -2.465 592 HA VAL 81 HA VAL 81 3.865 2.494 0.400 593 HB VAL 81 HB VAL 81 1.085 2.001 -0.678 594 1HG1 VAL 81 1HG1 VAL 81 2.238 3.172 1.866 595 2HG1 VAL 81 2HG1 VAL 81 1.316 1.677 1.697 596 3HG1 VAL 81 3HG1 VAL 81 0.523 3.235 1.460 597 1HG2 VAL 81 1HG2 VAL 81 0.729 4.436 -0.651 598 2HG2 VAL 81 2HG2 VAL 81 2.011 4.019 -1.790 599 3HG2 VAL 81 3HG2 VAL 81 2.418 4.688 -0.210 600 H GLU 82 H GLU 82 2.951 0.574 1.731 601 HA GLU 82 HA GLU 82 2.656 -1.937 0.175 602 1HB GLU 82 2HB GLU 82 5.074 -0.989 1.518 603 2HB GLU 82 1HB GLU 82 4.573 -2.580 2.088 604 1HG GLU 82 2HG GLU 82 4.316 -3.207 -0.391 605 2HG GLU 82 1HG GLU 82 5.221 -1.732 -0.737 606 H MET 83 H MET 83 1.721 -3.638 1.437 607 HA MET 83 HA MET 83 1.212 -3.249 4.309 608 1HB MET 83 2HB MET 83 -1.278 -3.224 3.915 609 2HB MET 83 1HB MET 83 -0.455 -1.788 3.304 610 1HG MET 83 2HG MET 83 -0.284 -3.164 1.077 611 2HG MET 83 1HG MET 83 -1.608 -4.100 1.770 612 1HE MET 83 1HE MET 83 -3.160 -1.700 -0.930 613 2HE MET 83 2HE MET 83 -2.612 -3.332 -0.560 614 3HE MET 83 3HE MET 83 -1.432 -2.080 -0.938 615 H GLU 84 H GLU 84 0.345 -5.210 5.269 616 HA GLU 84 HA GLU 84 0.450 -7.566 3.469 617 1HB GLU 84 2HB GLU 84 0.943 -8.651 5.805 618 2HB GLU 84 1HB GLU 84 2.221 -7.757 4.989 619 1HG GLU 84 2HG GLU 84 1.972 -5.889 6.390 620 2HG GLU 84 1HG GLU 84 0.344 -6.358 6.881 621 HA PRO 85 HA PRO 85 -3.803 -7.131 5.436 622 1HB PRO 85 2HB PRO 85 -5.223 -6.922 3.104 623 2HB PRO 85 1HB PRO 85 -4.579 -5.513 3.971 624 1HG PRO 85 2HG PRO 85 -3.497 -6.920 1.578 625 2HG PRO 85 1HG PRO 85 -3.562 -5.186 1.935 626 1HD PRO 85 2HD PRO 85 -1.305 -6.673 2.220 627 2HD PRO 85 1HD PRO 85 -1.661 -5.241 3.213 628 HA PRO 86 HA PRO 86 -4.755 -11.344 4.634 629 1HB PRO 86 2HB PRO 86 -7.495 -11.376 4.584 630 2HB PRO 86 1HB PRO 86 -6.557 -11.159 6.075 631 1HG PRO 86 2HG PRO 86 -7.910 -9.116 4.378 632 2HG PRO 86 1HG PRO 86 -7.818 -9.235 6.144 633 1HD PRO 86 2HD PRO 86 -6.270 -7.536 4.705 634 2HD PRO 86 1HD PRO 86 -5.736 -8.268 6.235 635 H PHE 87 H PHE 87 -5.718 -12.842 2.995 636 HA PHE 87 HA PHE 87 -5.460 -11.796 0.296 637 1HB PHE 87 2HB PHE 87 -6.430 -14.244 -0.097 638 2HB PHE 87 1HB PHE 87 -4.790 -14.014 0.507 639 HD1 PHE 87 1HD PHE 87 -8.318 -14.433 1.687 640 HD2 PHE 87 2HD PHE 87 -4.145 -14.966 2.545 641 HE1 PHE 87 1HE PHE 87 -8.902 -15.644 3.768 642 HE2 PHE 87 2HE PHE 87 -4.727 -16.179 4.625 643 HZ PHE 87 HZ PHE 87 -7.107 -16.522 5.239 644 H GLY 88 H GLY 88 -7.104 -11.394 -1.218 645 1HA GLY 88 2HA GLY 88 -9.507 -11.772 -1.857 646 2HA GLY 88 1HA GLY 88 -9.902 -11.488 -0.161 647 H ASP 89 H ASP 89 -11.313 -9.737 -1.002 648 HA ASP 89 HA ASP 89 -9.948 -7.378 -2.153 649 1HB ASP 89 2HB ASP 89 -12.833 -7.756 -1.298 650 2HB ASP 89 1HB ASP 89 -12.207 -6.585 -2.462 651 H SER 90 H SER 90 -9.756 -5.384 -1.036 652 HA SER 90 HA SER 90 -10.463 -5.420 1.880 653 1HB SER 90 2HB SER 90 -8.276 -4.291 2.237 654 2HB SER 90 1HB SER 90 -8.075 -5.880 1.506 655 HG SER 90 HG SER 90 -6.966 -4.749 0.101 656 H TYR 91 H TYR 91 -11.253 -3.425 2.673 657 HA TYR 91 HA TYR 91 -11.997 -1.435 0.620 658 1HB TYR 91 2HB TYR 91 -12.988 -2.465 3.130 659 2HB TYR 91 1HB TYR 91 -12.865 -0.707 3.219 660 HD1 TYR 91 1HD TYR 91 -15.394 -2.603 3.039 661 HD2 TYR 91 2HD TYR 91 -13.234 -0.213 0.201 662 HE1 TYR 91 1HE TYR 91 -17.438 -2.398 1.658 663 HE2 TYR 91 2HE TYR 91 -15.276 -0.006 -1.180 664 HH TYR 91 HH TYR 91 -17.661 -1.817 -1.223 665 H ILE 92 H ILE 92 -10.352 0.023 0.213 666 HA ILE 92 HA ILE 92 -8.729 1.008 2.510 667 HB ILE 92 HB ILE 92 -8.471 1.052 -0.508 668 1HG1 ILE 92 2HG1 ILE 92 -6.214 -0.025 0.279 669 2HG1 ILE 92 1HG1 ILE 92 -7.074 -0.290 1.796 670 1HG2 ILE 92 1HG2 ILE 92 -6.982 2.619 1.589 671 2HG2 ILE 92 2HG2 ILE 92 -7.596 3.165 0.029 672 3HG2 ILE 92 3HG2 ILE 92 -6.172 2.127 0.102 673 1HD1 ILE 92 1HD1 ILE 92 -8.467 -1.861 0.888 674 2HD1 ILE 92 2HD1 ILE 92 -7.149 -2.042 -0.269 675 3HD1 ILE 92 3HD1 ILE 92 -8.542 -1.039 -0.671 676 H VAL 93 H VAL 93 -9.262 3.017 3.351 677 HA VAL 93 HA VAL 93 -10.832 4.874 1.586 678 HB VAL 93 HB VAL 93 -11.021 4.476 4.585 679 1HG1 VAL 93 1HG1 VAL 93 -13.371 5.591 3.678 680 2HG1 VAL 93 2HG1 VAL 93 -12.169 6.375 2.652 681 3HG1 VAL 93 3HG1 VAL 93 -12.043 6.494 4.408 682 1HG2 VAL 93 1HG2 VAL 93 -12.003 2.519 3.879 683 2HG2 VAL 93 2HG2 VAL 93 -12.340 3.148 2.267 684 3HG2 VAL 93 3HG2 VAL 93 -13.381 3.589 3.621 685 H VAL 94 H VAL 94 -9.608 6.649 1.132 686 HA VAL 94 HA VAL 94 -7.486 7.513 3.027 687 HB VAL 94 HB VAL 94 -8.237 8.569 0.283 688 1HG1 VAL 94 1HG1 VAL 94 -6.549 9.669 2.062 689 2HG1 VAL 94 2HG1 VAL 94 -6.234 9.702 0.328 690 3HG1 VAL 94 3HG1 VAL 94 -5.451 8.491 1.343 691 1HG2 VAL 94 1HG2 VAL 94 -6.860 6.076 1.130 692 2HG2 VAL 94 2HG2 VAL 94 -6.075 6.989 -0.158 693 3HG2 VAL 94 3HG2 VAL 94 -7.733 6.428 -0.361 694 H GLY 95 H GLY 95 -8.421 8.767 4.655 695 1HA GLY 95 2HA GLY 95 -10.055 11.094 3.740 696 2HA GLY 95 1HA GLY 95 -10.579 10.130 5.120 697 H MET 96 H MET 96 -9.571 13.019 4.773 698 HA MET 96 HA MET 96 -7.606 12.906 7.034 699 1HB MET 96 2HB MET 96 -6.637 13.390 4.737 700 2HB MET 96 1HB MET 96 -7.599 14.869 4.723 701 1HG MET 96 2HG MET 96 -6.001 14.434 7.176 702 2HG MET 96 1HG MET 96 -5.064 14.728 5.711 703 1HE MET 96 1HE MET 96 -5.778 16.321 3.998 704 2HE MET 96 2HE MET 96 -4.606 17.305 4.872 705 3HE MET 96 3HE MET 96 -6.134 18.016 4.358 706 H GLY 97 H GLY 97 -10.327 14.501 5.483 707 1HA GLY 97 2HA GLY 97 -11.503 15.517 7.788 708 2HA GLY 97 1HA GLY 97 -10.392 16.785 7.271 709 H ASP 98 H ASP 98 -10.819 15.908 4.392 710 HA ASP 98 HA ASP 98 -13.096 17.678 3.866 711 1HB ASP 98 2HB ASP 98 -11.039 16.151 2.281 712 2HB ASP 98 1HB ASP 98 -12.403 16.910 1.459 713 H LYS 99 H LYS 99 -12.398 14.449 2.493 714 HA LYS 99 HA LYS 99 -15.096 13.522 3.223 715 1HB LYS 99 2HB LYS 99 -14.293 14.574 0.639 716 2HB LYS 99 1HB LYS 99 -14.836 12.902 0.495 717 1HG LYS 99 2HG LYS 99 -16.762 13.838 2.132 718 2HG LYS 99 1HG LYS 99 -16.368 15.330 1.277 719 1HD LYS 99 2HD LYS 99 -16.526 13.086 -0.561 720 2HD LYS 99 1HD LYS 99 -18.025 13.268 0.351 721 1HE LYS 99 2HE LYS 99 -17.508 15.877 -0.263 722 2HE LYS 99 1HE LYS 99 -16.846 15.059 -1.692 723 1HZ LYS 99 1HZ LYS 99 -18.850 14.029 -2.144 724 2HZ LYS 99 2HZ LYS 99 -19.364 15.557 -1.609 725 3HZ LYS 99 3HZ LYS 99 -19.437 14.221 -0.564 726 H GLN 100 H GLN 100 -15.081 11.307 3.567 727 HA GLN 100 HA GLN 100 -12.533 9.889 3.413 728 1HB GLN 100 2HB GLN 100 -15.354 9.312 4.303 729 2HB GLN 100 1HB GLN 100 -14.160 8.016 4.232 730 1HG GLN 100 2HG GLN 100 -14.354 9.208 6.479 731 2HG GLN 100 1HG GLN 100 -12.728 9.122 5.800 732 1HE2 GLN 100 1HE2 GLN 100 -11.995 11.129 4.558 733 2HE2 GLN 100 2HE2 GLN 100 -12.592 12.638 5.050 734 H ILE 101 H ILE 101 -11.876 9.268 1.379 735 HA ILE 101 HA ILE 101 -13.885 8.276 -0.577 736 HB ILE 101 HB ILE 101 -10.895 8.774 -0.766 737 1HG1 ILE 101 2HG1 ILE 101 -12.670 10.589 -2.201 738 2HG1 ILE 101 1HG1 ILE 101 -12.976 10.618 -0.464 739 1HG2 ILE 101 1HG2 ILE 101 -11.875 9.029 -3.283 740 2HG2 ILE 101 2HG2 ILE 101 -12.964 7.794 -2.653 741 3HG2 ILE 101 3HG2 ILE 101 -11.223 7.518 -2.649 742 1HD1 ILE 101 1HD1 ILE 101 -10.222 10.596 -0.570 743 2HD1 ILE 101 2HD1 ILE 101 -11.213 12.040 -0.364 744 3HD1 ILE 101 3HD1 ILE 101 -10.643 11.584 -1.969 745 H ASN 102 H ASN 102 -14.375 6.118 -0.293 746 HA ASN 102 HA ASN 102 -12.173 4.254 0.495 747 1HB ASN 102 2HB ASN 102 -14.182 2.762 0.991 748 2HB ASN 102 1HB ASN 102 -14.065 4.221 1.974 749 1HD2 ASN 102 1HD2 ASN 102 -16.079 5.192 2.182 750 2HD2 ASN 102 2HD2 ASN 102 -17.263 5.261 0.968 751 H HIS 103 H HIS 103 -11.425 2.829 -1.015 752 HA HIS 103 HA HIS 103 -13.133 2.247 -3.406 753 1HB HIS 103 2HB HIS 103 -10.418 3.426 -3.139 754 2HB HIS 103 1HB HIS 103 -10.611 2.222 -4.415 755 HD1 HIS 103 1HD HIS 103 -13.658 4.122 -3.595 756 HD2 HIS 103 2HD HIS 103 -10.494 4.482 -6.284 757 HE1 HIS 103 1HE HIS 103 -14.387 5.807 -5.333 758 H HIS 104 H HIS 104 -13.204 0.077 -3.900 759 HA HIS 104 HA HIS 104 -11.982 -1.862 -2.122 760 1HB HIS 104 2HB HIS 104 -13.791 -1.759 -4.467 761 2HB HIS 104 1HB HIS 104 -12.900 -3.268 -4.274 762 HD1 HIS 104 1HD HIS 104 -12.815 -3.199 -1.115 763 HD2 HIS 104 2HD HIS 104 -16.243 -2.699 -3.435 764 HE1 HIS 104 1HE HIS 104 -14.778 -3.808 0.366 765 H TRP 105 H TRP 105 -10.145 -3.130 -2.493 766 HA TRP 105 HA TRP 105 -8.714 -2.751 -5.069 767 1HB TRP 105 2HB TRP 105 -7.909 -2.176 -2.266 768 2HB TRP 105 1HB TRP 105 -6.676 -2.891 -3.305 769 HD1 TRP 105 HD TRP 105 -7.353 0.317 -2.213 770 HE1 TRP 105 1HE TRP 105 -6.973 2.145 -3.993 771 HE3 TRP 105 3HE TRP 105 -7.354 -2.551 -6.439 772 HZ2 TRP 105 2HZ TRP 105 -6.706 2.360 -6.832 773 HZ3 TRP 105 3HZ TRP 105 -7.034 -1.510 -8.664 774 HH2 TRP 105 HH TRP 105 -6.710 0.939 -8.867 775 H HIS 106 H HIS 106 -7.830 -4.643 -5.884 776 HA HIS 106 HA HIS 106 -7.299 -6.951 -4.134 777 1HB HIS 106 2HB HIS 106 -8.963 -8.358 -5.387 778 2HB HIS 106 1HB HIS 106 -9.717 -7.075 -4.439 779 HD1 HIS 106 1HD HIS 106 -9.737 -8.470 -7.750 780 HD2 HIS 106 2HD HIS 106 -10.132 -4.620 -6.200 781 HE1 HIS 106 1HE HIS 106 -10.806 -7.071 -9.570 782 H LYS 107 H LYS 107 -5.610 -8.085 -5.040 783 HA LYS 107 HA LYS 107 -4.598 -7.304 -7.678 784 1HB LYS 107 2HB LYS 107 -2.684 -8.529 -6.995 785 2HB LYS 107 1HB LYS 107 -3.333 -7.881 -5.488 786 1HG LYS 107 2HG LYS 107 -3.203 -10.046 -4.787 787 2HG LYS 107 1HG LYS 107 -4.721 -10.221 -5.669 788 1HD LYS 107 2HD LYS 107 -3.144 -10.636 -7.734 789 2HD LYS 107 1HD LYS 107 -1.951 -11.031 -6.495 790 1HE LYS 107 2HE LYS 107 -4.124 -12.428 -5.580 791 2HE LYS 107 1HE LYS 107 -4.343 -12.549 -7.338 792 1HZ LYS 107 1HZ LYS 107 -2.066 -13.417 -5.689 793 2HZ LYS 107 2HZ LYS 107 -1.792 -12.948 -7.299 794 3HZ LYS 107 3HZ LYS 107 -2.847 -14.235 -6.955 795 H ALA 108 H ALA 108 -6.826 -9.615 -6.542 796 HA ALA 108 HA ALA 108 -6.271 -11.537 -8.748 797 1HB ALA 108 1HB ALA 108 -7.696 -13.000 -7.489 798 2HB ALA 108 2HB ALA 108 -8.375 -11.655 -6.573 799 3HB ALA 108 3HB ALA 108 -6.705 -12.152 -6.300 800 H GLY 109 H GLY 109 -7.218 -10.914 -10.664 801 1HA GLY 109 2HA GLY 109 -9.845 -9.523 -10.579 802 2HA GLY 109 1HA GLY 109 -8.784 -9.618 -11.986 803 H SER 110 H SER 110 -10.962 -10.299 -12.965 804 HA SER 110 HA SER 110 -11.467 -13.218 -12.506 805 1HB SER 110 2HB SER 110 -13.115 -10.839 -13.291 806 2HB SER 110 1HB SER 110 -13.626 -12.433 -13.837 807 HG SER 110 HG SER 110 -14.539 -11.994 -11.828 808 H THR 111 H THR 111 -11.628 -10.817 -15.173 809 HA THR 111 HA THR 111 -11.275 -11.148 -17.499 810 HB THR 111 HB THR 111 -8.983 -12.365 -17.751 811 HG1 THR 111 1HG THR 111 -7.969 -12.285 -15.559 812 1HG2 THR 111 1HG2 THR 111 -8.738 -10.082 -17.840 813 2HG2 THR 111 2HG2 THR 111 -7.953 -10.372 -16.287 814 3HG2 THR 111 3HG2 THR 111 -9.628 -9.823 -16.339 Start of MODEL 11 1 1H ASP 1 1HT ASP 1 18.571 -1.649 24.375 2 2H ASP 1 2HT ASP 1 17.853 -2.894 23.469 3 3H ASP 1 3HT ASP 1 17.222 -1.319 23.402 4 HA ASP 1 HA ASP 1 19.762 -0.875 22.639 5 1HB ASP 1 2HB ASP 1 18.861 -3.672 21.931 6 2HB ASP 1 1HB ASP 1 20.081 -2.826 20.979 7 H LYS 2 H LYS 2 16.617 -2.135 21.603 8 HA LYS 2 HA LYS 2 16.695 -0.968 18.948 9 1HB LYS 2 2HB LYS 2 15.019 -2.624 20.600 10 2HB LYS 2 1HB LYS 2 14.032 -1.350 19.880 11 1HG LYS 2 2HG LYS 2 14.246 -2.205 17.789 12 2HG LYS 2 1HG LYS 2 15.962 -2.552 18.012 13 1HD LYS 2 2HD LYS 2 15.074 -4.703 17.865 14 2HD LYS 2 1HD LYS 2 15.082 -4.446 19.610 15 1HE LYS 2 2HE LYS 2 12.650 -3.380 18.966 16 2HE LYS 2 1HE LYS 2 12.781 -4.677 17.762 17 1HZ LYS 2 1HZ LYS 2 13.122 -6.275 19.398 18 2HZ LYS 2 2HZ LYS 2 11.911 -5.294 20.073 19 3HZ LYS 2 3HZ LYS 2 13.522 -5.132 20.585 20 H LEU 3 H LEU 3 15.203 0.808 18.271 21 HA LEU 3 HA LEU 3 14.966 2.899 20.409 22 1HB LEU 3 2HB LEU 3 16.547 3.484 18.686 23 2HB LEU 3 1HB LEU 3 15.422 3.002 17.414 24 HG LEU 3 HG LEU 3 13.841 4.791 18.362 25 1HD1 LEU 3 1HD1 LEU 3 16.167 6.287 19.371 26 2HD1 LEU 3 2HD1 LEU 3 15.721 4.903 20.368 27 3HD1 LEU 3 3HD1 LEU 3 14.535 6.165 20.031 28 1HD2 LEU 3 1HD2 LEU 3 16.423 5.281 16.906 29 2HD2 LEU 3 2HD2 LEU 3 15.391 6.653 17.312 30 3HD2 LEU 3 3HD2 LEU 3 14.769 5.352 16.296 31 H ALA 4 H ALA 4 12.992 4.048 20.553 32 HA ALA 4 HA ALA 4 10.655 2.702 19.320 33 1HB ALA 4 1HB ALA 4 11.315 4.020 21.763 34 2HB ALA 4 2HB ALA 4 9.800 3.219 21.344 35 3HB ALA 4 3HB ALA 4 10.013 4.937 21.003 36 H LEU 5 H LEU 5 9.028 3.953 18.172 37 HA LEU 5 HA LEU 5 10.173 6.335 16.771 38 1HB LEU 5 2HB LEU 5 8.443 5.723 15.064 39 2HB LEU 5 1HB LEU 5 9.569 4.405 15.392 40 HG LEU 5 HG LEU 5 7.286 4.376 17.212 41 1HD1 LEU 5 1HD1 LEU 5 5.542 4.493 15.788 42 2HD1 LEU 5 2HD1 LEU 5 6.331 3.409 14.642 43 3HD1 LEU 5 3HD1 LEU 5 6.661 5.141 14.588 44 1HD2 LEU 5 1HD2 LEU 5 9.128 2.607 16.025 45 2HD2 LEU 5 2HD2 LEU 5 7.552 2.130 15.395 46 3HD2 LEU 5 3HD2 LEU 5 7.825 2.186 17.136 47 H LYS 6 H LYS 6 9.548 7.838 18.499 48 HA LYS 6 HA LYS 6 6.606 8.154 18.915 49 1HB LYS 6 2HB LYS 6 7.275 9.389 20.895 50 2HB LYS 6 1HB LYS 6 8.225 7.903 20.838 51 1HG LYS 6 2HG LYS 6 9.865 9.499 19.427 52 2HG LYS 6 1HG LYS 6 9.092 10.723 20.434 53 1HD LYS 6 2HD LYS 6 9.583 8.921 22.345 54 2HD LYS 6 1HD LYS 6 10.869 8.459 21.228 55 1HE LYS 6 2HE LYS 6 10.996 11.250 21.262 56 2HE LYS 6 1HE LYS 6 10.702 10.806 22.954 57 1HZ LYS 6 1HZ LYS 6 13.109 10.721 22.006 58 2HZ LYS 6 2HZ LYS 6 12.605 9.234 21.355 59 3HZ LYS 6 3HZ LYS 6 12.565 9.487 23.035 60 H GLY 7 H GLY 7 5.572 9.993 18.155 61 1HA GLY 7 2HA GLY 7 7.296 12.100 16.912 62 2HA GLY 7 1HA GLY 7 5.799 11.550 16.160 63 H THR 8 H THR 8 6.955 14.101 17.749 64 HA THR 8 HA THR 8 5.187 14.620 19.914 65 HB THR 8 HB THR 8 5.791 17.001 19.373 66 HG1 THR 8 1HG THR 8 5.850 16.990 17.183 67 1HG2 THR 8 1HG2 THR 8 8.319 16.567 19.428 68 2HG2 THR 8 2HG2 THR 8 7.913 14.852 19.353 69 3HG2 THR 8 3HG2 THR 8 7.364 15.830 20.714 70 H THR 9 H THR 9 3.389 16.307 19.825 71 HA THR 9 HA THR 9 1.172 15.541 18.347 72 HB THR 9 HB THR 9 1.096 18.374 18.601 73 HG1 THR 9 1HG THR 9 2.130 18.753 20.458 74 1HG2 THR 9 1HG2 THR 9 -0.775 17.738 19.666 75 2HG2 THR 9 2HG2 THR 9 0.179 17.024 20.968 76 3HG2 THR 9 3HG2 THR 9 -0.239 16.062 19.550 77 H TYR 10 H TYR 10 1.636 15.083 16.132 78 HA TYR 10 HA TYR 10 2.495 17.413 14.455 79 1HB TYR 10 2HB TYR 10 2.903 14.471 14.446 80 2HB TYR 10 1HB TYR 10 2.692 15.218 12.861 81 HD1 TYR 10 1HD TYR 10 3.884 17.865 13.217 82 HD2 TYR 10 2HD TYR 10 5.208 14.044 14.664 83 HE1 TYR 10 1HE TYR 10 6.217 18.704 13.295 84 HE2 TYR 10 2HE TYR 10 7.540 14.882 14.742 85 HH TYR 10 HH TYR 10 8.297 18.266 14.173 86 H GLY 11 H GLY 11 1.430 17.418 12.227 87 1HA GLY 11 2HA GLY 11 -1.468 16.764 12.532 88 2HA GLY 11 1HA GLY 11 -0.833 18.041 11.491 89 H MET 12 H MET 12 -2.210 15.091 11.327 90 HA MET 12 HA MET 12 -0.505 13.853 9.279 91 1HB MET 12 2HB MET 12 -2.486 12.257 9.239 92 2HB MET 12 1HB MET 12 -1.737 12.462 10.823 93 1HG MET 12 2HG MET 12 -3.577 13.469 11.696 94 2HG MET 12 1HG MET 12 -3.863 14.416 10.236 95 1HE MET 12 1HE MET 12 -4.792 10.112 11.134 96 2HE MET 12 2HE MET 12 -3.274 10.996 11.263 97 3HE MET 12 3HE MET 12 -3.729 10.262 9.727 98 H CYS 13 H CYS 13 -0.587 14.510 7.151 99 HA CYS 13 HA CYS 13 -3.220 15.302 6.008 100 1HB CYS 13 2HB CYS 13 -1.044 17.077 5.194 101 2HB CYS 13 1HB CYS 13 -2.645 17.485 5.799 102 H THR 14 H THR 14 -3.269 13.705 4.415 103 HA THR 14 HA THR 14 -1.415 13.993 2.171 104 HB THR 14 HB THR 14 -1.469 11.243 3.313 105 HG1 THR 14 1HG THR 14 0.414 13.088 4.263 106 1HG2 THR 14 1HG2 THR 14 0.124 12.879 1.484 107 2HG2 THR 14 2HG2 THR 14 -0.043 11.127 1.566 108 3HG2 THR 14 3HG2 THR 14 1.110 11.952 2.614 109 H GLU 15 H GLU 15 -4.415 13.789 3.021 110 HA GLU 15 HA GLU 15 -5.609 11.497 1.862 111 1HB GLU 15 2HB GLU 15 -7.602 12.813 1.936 112 2HB GLU 15 1HB GLU 15 -6.597 13.414 3.255 113 1HG GLU 15 2HG GLU 15 -7.006 15.449 2.313 114 2HG GLU 15 1HG GLU 15 -5.724 14.978 1.197 115 H LYS 16 H LYS 16 -3.831 13.989 0.324 116 HA LYS 16 HA LYS 16 -5.228 13.897 -2.245 117 1HB LYS 16 2HB LYS 16 -2.619 15.024 -1.208 118 2HB LYS 16 1HB LYS 16 -3.105 15.187 -2.896 119 1HG LYS 16 2HG LYS 16 -4.276 17.014 -2.281 120 2HG LYS 16 1HG LYS 16 -5.377 15.925 -1.435 121 1HD LYS 16 2HD LYS 16 -4.203 16.173 0.625 122 2HD LYS 16 1HD LYS 16 -2.825 16.937 -0.169 123 1HE LYS 16 2HE LYS 16 -4.393 18.827 -0.844 124 2HE LYS 16 1HE LYS 16 -5.591 18.107 0.248 125 1HZ LYS 16 1HZ LYS 16 -2.808 18.662 1.092 126 2HZ LYS 16 2HZ LYS 16 -4.149 18.313 2.073 127 3HZ LYS 16 3HZ LYS 16 -4.046 19.806 1.272 128 H PHE 17 H PHE 17 -4.894 11.298 -1.873 129 HA PHE 17 HA PHE 17 -2.289 10.387 -2.963 130 1HB PHE 17 2HB PHE 17 -4.443 9.403 -1.302 131 2HB PHE 17 1HB PHE 17 -4.157 8.282 -2.631 132 HD1 PHE 17 1HD PHE 17 -3.269 6.563 -1.145 133 HD2 PHE 17 2HD PHE 17 -1.454 10.445 -1.377 134 HE1 PHE 17 1HE PHE 17 -1.253 5.686 0.008 135 HE2 PHE 17 2HE PHE 17 0.562 9.572 -0.227 136 HZ PHE 17 HZ PHE 17 0.663 7.193 0.465 137 H SER 18 H SER 18 -2.154 9.270 -4.983 138 HA SER 18 HA SER 18 -4.601 9.453 -6.718 139 1HB SER 18 2HB SER 18 -2.659 11.155 -7.009 140 2HB SER 18 1HB SER 18 -1.754 9.795 -7.669 141 HG SER 18 HG SER 18 -3.808 9.537 -8.989 142 H PHE 19 H PHE 19 -5.047 7.560 -7.853 143 HA PHE 19 HA PHE 19 -3.403 5.192 -7.265 144 1HB PHE 19 2HB PHE 19 -5.631 5.115 -9.237 145 2HB PHE 19 1HB PHE 19 -5.297 4.038 -7.885 146 HD1 PHE 19 1HD PHE 19 -5.258 5.540 -5.520 147 HD2 PHE 19 2HD PHE 19 -7.659 6.229 -9.015 148 HE1 PHE 19 1HE PHE 19 -6.922 6.753 -4.138 149 HE2 PHE 19 2HE PHE 19 -9.323 7.441 -7.634 150 HZ PHE 19 HZ PHE 19 -8.955 7.704 -5.196 151 H ALA 20 H ALA 20 -1.609 4.816 -8.495 152 HA ALA 20 HA ALA 20 -1.609 5.694 -11.352 153 1HB ALA 20 1HB ALA 20 0.860 4.651 -10.126 154 2HB ALA 20 2HB ALA 20 0.173 6.035 -9.274 155 3HB ALA 20 3HB ALA 20 0.590 6.169 -10.982 156 H LYS 21 H LYS 21 -1.108 2.883 -9.234 157 HA LYS 21 HA LYS 21 -1.546 1.103 -11.580 158 1HB LYS 21 2HB LYS 21 0.753 0.679 -9.663 159 2HB LYS 21 1HB LYS 21 0.512 -0.047 -11.252 160 1HG LYS 21 2HG LYS 21 0.611 2.397 -12.135 161 2HG LYS 21 1HG LYS 21 1.349 2.767 -10.577 162 1HD LYS 21 2HD LYS 21 2.964 0.831 -11.064 163 2HD LYS 21 1HD LYS 21 2.361 0.895 -12.721 164 1HE LYS 21 2HE LYS 21 3.190 3.490 -11.496 165 2HE LYS 21 1HE LYS 21 4.477 2.356 -11.953 166 1HZ LYS 21 1HZ LYS 21 4.031 3.502 -13.918 167 2HZ LYS 21 2HZ LYS 21 2.352 3.511 -13.654 168 3HZ LYS 21 3HZ LYS 21 3.138 2.069 -14.091 169 H ASN 22 H ASN 22 -2.273 -1.025 -10.931 170 HA ASN 22 HA ASN 22 -3.831 -1.106 -8.505 171 1HB ASN 22 2HB ASN 22 -4.431 -3.285 -9.309 172 2HB ASN 22 1HB ASN 22 -4.174 -2.297 -10.748 173 1HD2 ASN 22 1HD2 ASN 22 -3.879 -5.223 -10.632 174 2HD2 ASN 22 2HD2 ASN 22 -2.258 -5.567 -10.999 175 HA PRO 23 HA PRO 23 -0.955 -2.740 -5.623 176 1HB PRO 23 2HB PRO 23 -2.444 -4.603 -4.277 177 2HB PRO 23 1HB PRO 23 -2.678 -2.854 -4.082 178 1HG PRO 23 2HG PRO 23 -4.241 -4.802 -5.700 179 2HG PRO 23 1HG PRO 23 -4.803 -3.428 -4.736 180 1HD PRO 23 2HD PRO 23 -4.568 -3.359 -7.450 181 2HD PRO 23 1HD PRO 23 -4.413 -1.920 -6.416 182 H ALA 24 H ALA 24 0.608 -4.381 -5.558 183 HA ALA 24 HA ALA 24 -0.015 -6.949 -6.968 184 1HB ALA 24 1HB ALA 24 1.504 -4.788 -7.951 185 2HB ALA 24 2HB ALA 24 1.430 -6.416 -8.623 186 3HB ALA 24 3HB ALA 24 2.684 -6.001 -7.456 187 H ASP 25 H ASP 25 1.677 -8.634 -6.465 188 HA ASP 25 HA ASP 25 2.434 -8.479 -3.609 189 1HB ASP 25 2HB ASP 25 2.949 -10.911 -4.044 190 2HB ASP 25 1HB ASP 25 1.292 -10.457 -4.441 191 H THR 26 H THR 26 4.646 -9.060 -2.940 192 HA THR 26 HA THR 26 6.727 -8.586 -5.042 193 HB THR 26 HB THR 26 7.728 -7.406 -2.763 194 HG1 THR 26 1HG THR 26 5.951 -7.376 -1.561 195 1HG2 THR 26 1HG2 THR 26 6.676 -6.606 -5.331 196 2HG2 THR 26 2HG2 THR 26 7.969 -5.869 -4.385 197 3HG2 THR 26 3HG2 THR 26 6.294 -5.389 -4.113 198 H GLY 27 H GLY 27 6.120 -9.667 -1.686 199 1HA GLY 27 2HA GLY 27 8.168 -11.796 -2.120 200 2HA GLY 27 1HA GLY 27 8.177 -10.848 -0.632 201 H HIS 28 H HIS 28 7.015 -11.664 1.045 202 HA HIS 28 HA HIS 28 4.800 -13.586 0.415 203 1HB HIS 28 2HB HIS 28 7.183 -14.358 1.321 204 2HB HIS 28 1HB HIS 28 6.499 -13.858 2.867 205 HD1 HIS 28 1HD HIS 28 5.331 -15.933 -0.127 206 HD2 HIS 28 2HD HIS 28 5.076 -15.906 4.033 207 HE1 HIS 28 1HE HIS 28 4.020 -18.000 0.522 208 H GLY 29 H GLY 29 3.214 -11.917 0.800 209 1HA GLY 29 2HA GLY 29 1.583 -11.192 2.424 210 2HA GLY 29 1HA GLY 29 2.810 -11.343 3.682 211 H THR 30 H THR 30 3.422 -9.727 0.620 212 HA THR 30 HA THR 30 3.302 -7.078 2.012 213 HB THR 30 HB THR 30 5.526 -6.895 0.416 214 HG1 THR 30 1HG THR 30 5.168 -9.259 0.127 215 1HG2 THR 30 1HG2 THR 30 6.508 -6.447 2.403 216 2HG2 THR 30 2HG2 THR 30 6.129 -8.047 3.044 217 3HG2 THR 30 3HG2 THR 30 4.923 -6.762 3.109 218 H VAL 31 H VAL 31 1.753 -6.024 0.785 219 HA VAL 31 HA VAL 31 1.656 -6.459 -2.133 220 HB VAL 31 HB VAL 31 -0.128 -4.888 -0.252 221 1HG1 VAL 31 1HG1 VAL 31 -0.746 -6.000 -3.001 222 2HG1 VAL 31 2HG1 VAL 31 -0.207 -4.342 -2.734 223 3HG1 VAL 31 3HG1 VAL 31 -1.731 -4.895 -2.041 224 1HG2 VAL 31 1HG2 VAL 31 0.042 -7.335 0.270 225 2HG2 VAL 31 2HG2 VAL 31 -0.488 -7.685 -1.375 226 3HG2 VAL 31 3HG2 VAL 31 -1.570 -6.853 -0.258 227 H VAL 32 H VAL 32 1.904 -4.690 -3.616 228 HA VAL 32 HA VAL 32 3.090 -2.208 -2.417 229 HB VAL 32 HB VAL 32 4.158 -2.446 -4.945 230 1HG1 VAL 32 1HG1 VAL 32 6.199 -2.922 -3.824 231 2HG1 VAL 32 2HG1 VAL 32 5.375 -3.785 -2.526 232 3HG1 VAL 32 3HG1 VAL 32 5.231 -2.031 -2.649 233 1HG2 VAL 32 1HG2 VAL 32 4.807 -4.744 -5.297 234 2HG2 VAL 32 2HG2 VAL 32 3.055 -4.721 -5.093 235 3HG2 VAL 32 3HG2 VAL 32 4.090 -5.236 -3.763 236 H ILE 33 H ILE 33 2.538 -0.244 -3.448 237 HA ILE 33 HA ILE 33 0.669 -0.316 -5.765 238 HB ILE 33 HB ILE 33 -0.709 -0.481 -3.731 239 1HG1 ILE 33 2HG1 ILE 33 -1.520 2.171 -4.038 240 2HG1 ILE 33 1HG1 ILE 33 -0.745 1.785 -5.574 241 1HG2 ILE 33 1HG2 ILE 33 -0.610 1.612 -2.200 242 2HG2 ILE 33 2HG2 ILE 33 0.984 1.876 -2.907 243 3HG2 ILE 33 3HG2 ILE 33 0.652 0.394 -2.011 244 1HD1 ILE 33 1HD1 ILE 33 -3.325 0.969 -4.639 245 2HD1 ILE 33 2HD1 ILE 33 -2.318 -0.468 -4.818 246 3HD1 ILE 33 3HD1 ILE 33 -2.562 0.614 -6.189 247 H GLU 34 H GLU 34 0.864 1.547 -7.030 248 HA GLU 34 HA GLU 34 2.898 3.540 -6.107 249 1HB GLU 34 2HB GLU 34 2.752 1.938 -8.347 250 2HB GLU 34 1HB GLU 34 2.100 3.465 -8.942 251 1HG GLU 34 2HG GLU 34 4.152 4.384 -8.980 252 2HG GLU 34 1HG GLU 34 4.403 3.976 -7.283 253 H LEU 35 H LEU 35 1.648 5.157 -5.132 254 HA LEU 35 HA LEU 35 -0.538 6.342 -6.813 255 1HB LEU 35 2HB LEU 35 -0.324 6.607 -3.818 256 2HB LEU 35 1HB LEU 35 -1.765 6.705 -4.829 257 HG LEU 35 HG LEU 35 -1.188 4.211 -5.412 258 1HD1 LEU 35 1HD1 LEU 35 -0.273 3.634 -2.790 259 2HD1 LEU 35 2HD1 LEU 35 0.790 4.885 -3.434 260 3HD1 LEU 35 3HD1 LEU 35 0.581 3.368 -4.309 261 1HD2 LEU 35 1HD2 LEU 35 -2.823 3.583 -3.887 262 2HD2 LEU 35 2HD2 LEU 35 -3.057 5.331 -3.882 263 3HD2 LEU 35 3HD2 LEU 35 -2.135 4.562 -2.591 264 H SER 36 H SER 36 -0.336 8.559 -7.208 265 HA SER 36 HA SER 36 2.152 9.843 -6.326 266 1HB SER 36 2HB SER 36 0.149 11.231 -8.021 267 2HB SER 36 1HB SER 36 1.891 11.086 -8.241 268 HG SER 36 HG SER 36 -0.108 9.595 -9.275 269 H TYR 37 H TYR 37 2.194 11.426 -4.730 270 HA TYR 37 HA TYR 37 -0.429 12.145 -3.533 271 1HB TYR 37 2HB TYR 37 1.198 11.375 -1.970 272 2HB TYR 37 1HB TYR 37 2.474 12.344 -2.705 273 HD1 TYR 37 1HD TYR 37 3.046 14.370 -1.702 274 HD2 TYR 37 2HD TYR 37 -0.900 12.777 -1.114 275 HE1 TYR 37 1HE TYR 37 2.523 16.236 -0.154 276 HE2 TYR 37 2HE TYR 37 -1.423 14.642 0.434 277 HH TYR 37 HH TYR 37 1.046 17.043 1.320 278 H SER 38 H SER 38 -1.212 13.758 -4.970 279 HA SER 38 HA SER 38 0.521 16.062 -5.598 280 1HB SER 38 2HB SER 38 -1.856 16.524 -6.824 281 2HB SER 38 1HB SER 38 -0.594 15.514 -7.526 282 HG SER 38 HG SER 38 -2.475 14.331 -7.512 283 H GLY 39 H GLY 39 0.338 16.502 -3.116 284 1HA GLY 39 2HA GLY 39 -2.201 17.963 -2.540 285 2HA GLY 39 1HA GLY 39 -1.134 17.291 -1.307 286 H SER 40 H SER 40 -2.099 20.151 -2.178 287 HA SER 40 HA SER 40 0.463 21.515 -2.680 288 1HB SER 40 2HB SER 40 -1.003 23.493 -2.739 289 2HB SER 40 1HB SER 40 -1.702 22.191 -3.698 290 HG SER 40 HG SER 40 -2.671 23.432 -1.502 291 H ASP 41 H ASP 41 -0.500 20.041 -0.016 292 HA ASP 41 HA ASP 41 -0.086 22.289 1.894 293 1HB ASP 41 2HB ASP 41 -1.921 20.437 1.963 294 2HB ASP 41 1HB ASP 41 -0.625 19.396 2.556 295 H GLY 42 H GLY 42 1.568 19.581 0.481 296 1HA GLY 42 2HA GLY 42 4.011 19.458 0.636 297 2HA GLY 42 1HA GLY 42 3.898 20.134 2.262 298 HA PRO 43 HA PRO 43 4.210 15.549 2.624 299 1HB PRO 43 2HB PRO 43 6.226 15.561 4.476 300 2HB PRO 43 1HB PRO 43 6.518 15.585 2.725 301 1HG PRO 43 2HG PRO 43 6.619 17.810 4.690 302 2HG PRO 43 1HG PRO 43 7.632 17.507 3.272 303 1HD PRO 43 2HD PRO 43 5.585 19.331 3.335 304 2HD PRO 43 1HD PRO 43 6.181 18.551 1.853 305 H CYS 44 H CYS 44 3.107 14.432 4.219 306 HA CYS 44 HA CYS 44 2.884 15.359 6.971 307 1HB CYS 44 2HB CYS 44 1.226 16.527 5.016 308 2HB CYS 44 1HB CYS 44 0.206 15.364 5.852 309 H LYS 45 H LYS 45 1.465 13.817 8.218 310 HA LYS 45 HA LYS 45 1.889 11.099 7.488 311 1HB LYS 45 2HB LYS 45 -0.333 12.070 9.287 312 2HB LYS 45 1HB LYS 45 0.658 10.626 9.459 313 1HG LYS 45 2HG LYS 45 1.427 13.497 9.977 314 2HG LYS 45 1HG LYS 45 1.549 12.114 11.060 315 1HD LYS 45 2HD LYS 45 3.429 11.245 9.951 316 2HD LYS 45 1HD LYS 45 3.111 12.168 8.483 317 1HE LYS 45 2HE LYS 45 3.544 13.789 10.935 318 2HE LYS 45 1HE LYS 45 4.968 12.934 10.305 319 1HZ LYS 45 1HZ LYS 45 5.005 14.740 8.943 320 2HZ LYS 45 2HZ LYS 45 3.327 14.998 9.037 321 3HZ LYS 45 3HZ LYS 45 3.945 13.772 8.039 322 H ILE 46 H ILE 46 0.647 9.633 6.345 323 HA ILE 46 HA ILE 46 -1.670 10.702 4.839 324 HB ILE 46 HB ILE 46 -0.520 7.933 4.598 325 1HG1 ILE 46 2HG1 ILE 46 0.797 10.537 3.796 326 2HG1 ILE 46 1HG1 ILE 46 1.494 9.207 4.720 327 1HG2 ILE 46 1HG2 ILE 46 -1.111 9.785 2.322 328 2HG2 ILE 46 2HG2 ILE 46 -2.473 9.116 3.221 329 3HG2 ILE 46 3HG2 ILE 46 -1.324 8.038 2.429 330 1HD1 ILE 46 1HD1 ILE 46 0.643 8.047 2.308 331 2HD1 ILE 46 2HD1 ILE 46 2.306 8.394 2.782 332 3HD1 ILE 46 3HD1 ILE 46 1.392 9.576 1.843 333 HA PRO 47 HA PRO 47 -4.175 8.594 7.930 334 1HB PRO 47 2HB PRO 47 -6.494 9.879 7.263 335 2HB PRO 47 1HB PRO 47 -5.252 10.610 8.298 336 1HG PRO 47 2HG PRO 47 -5.839 11.083 5.427 337 2HG PRO 47 1HG PRO 47 -5.306 12.220 6.674 338 1HD PRO 47 2HD PRO 47 -3.661 11.124 4.761 339 2HD PRO 47 1HD PRO 47 -3.104 11.759 6.325 340 H ILE 48 H ILE 48 -4.153 6.518 6.900 341 HA ILE 48 HA ILE 48 -6.343 6.102 4.895 342 HB ILE 48 HB ILE 48 -3.457 5.226 4.921 343 1HG1 ILE 48 2HG1 ILE 48 -5.018 6.050 2.506 344 2HG1 ILE 48 1HG1 ILE 48 -4.595 7.295 3.681 345 1HG2 ILE 48 1HG2 ILE 48 -4.545 3.148 4.547 346 2HG2 ILE 48 2HG2 ILE 48 -4.172 3.755 2.933 347 3HG2 ILE 48 3HG2 ILE 48 -5.810 3.896 3.571 348 1HD1 ILE 48 1HD1 ILE 48 -2.893 6.948 1.830 349 2HD1 ILE 48 2HD1 ILE 48 -2.572 5.361 2.529 350 3HD1 ILE 48 3HD1 ILE 48 -2.252 6.819 3.468 351 H VAL 49 H VAL 49 -7.508 4.165 5.176 352 HA VAL 49 HA VAL 49 -6.823 2.581 7.632 353 HB VAL 49 HB VAL 49 -9.205 2.322 7.918 354 1HG1 VAL 49 1HG1 VAL 49 -8.157 4.563 8.486 355 2HG1 VAL 49 2HG1 VAL 49 -9.898 4.605 8.208 356 3HG1 VAL 49 3HG1 VAL 49 -8.789 5.162 6.953 357 1HG2 VAL 49 1HG2 VAL 49 -9.955 1.904 5.692 358 2HG2 VAL 49 2HG2 VAL 49 -9.326 3.447 5.111 359 3HG2 VAL 49 3HG2 VAL 49 -10.738 3.411 6.168 360 H SER 50 H SER 50 -6.420 0.419 7.286 361 HA SER 50 HA SER 50 -7.119 -0.706 4.595 362 1HB SER 50 2HB SER 50 -4.832 -1.088 6.527 363 2HB SER 50 1HB SER 50 -5.170 -2.288 5.282 364 HG SER 50 HG SER 50 -3.825 -0.056 5.023 365 H VAL 51 H VAL 51 -9.091 -1.719 5.046 366 HA VAL 51 HA VAL 51 -9.023 -3.817 7.186 367 HB VAL 51 HB VAL 51 -11.392 -3.211 7.622 368 1HG1 VAL 51 1HG1 VAL 51 -9.686 -0.715 7.701 369 2HG1 VAL 51 2HG1 VAL 51 -9.402 -2.083 8.776 370 3HG1 VAL 51 3HG1 VAL 51 -10.936 -1.214 8.841 371 1HG2 VAL 51 1HG2 VAL 51 -11.098 -1.899 5.116 372 2HG2 VAL 51 2HG2 VAL 51 -11.406 -0.645 6.318 373 3HG2 VAL 51 3HG2 VAL 51 -12.542 -1.980 6.126 374 H ALA 52 H ALA 52 -10.487 -5.627 6.738 375 HA ALA 52 HA ALA 52 -10.362 -6.672 4.115 376 1HB ALA 52 1HB ALA 52 -12.130 -7.182 6.517 377 2HB ALA 52 2HB ALA 52 -10.730 -8.111 5.982 378 3HB ALA 52 3HB ALA 52 -12.233 -8.173 5.062 379 H SER 53 H SER 53 -12.258 -7.104 2.650 380 HA SER 53 HA SER 53 -13.628 -4.705 1.913 381 1HB SER 53 2HB SER 53 -13.047 -6.640 0.448 382 2HB SER 53 1HB SER 53 -14.266 -7.604 1.278 383 HG SER 53 HG SER 53 -15.783 -5.942 0.630 384 H LEU 54 H LEU 54 -15.378 -3.793 2.900 385 HA LEU 54 HA LEU 54 -17.558 -3.700 3.864 386 1HB LEU 54 2HB LEU 54 -17.400 -6.201 2.695 387 2HB LEU 54 1HB LEU 54 -17.765 -6.587 4.377 388 HG LEU 54 HG LEU 54 -19.325 -4.344 3.240 389 1HD1 LEU 54 1HD1 LEU 54 -19.180 -5.946 1.320 390 2HD1 LEU 54 2HD1 LEU 54 -20.817 -5.776 1.955 391 3HD1 LEU 54 3HD1 LEU 54 -19.856 -7.198 2.361 392 1HD2 LEU 54 1HD2 LEU 54 -19.467 -5.794 5.500 393 2HD2 LEU 54 2HD2 LEU 54 -20.518 -6.779 4.483 394 3HD2 LEU 54 3HD2 LEU 54 -20.897 -5.079 4.757 395 H ASN 55 H ASN 55 -14.942 -3.768 5.334 396 HA ASN 55 HA ASN 55 -16.062 -4.475 8.018 397 1HB ASN 55 2HB ASN 55 -13.335 -5.124 6.856 398 2HB ASN 55 1HB ASN 55 -13.763 -5.351 8.552 399 1HD2 ASN 55 1HD2 ASN 55 -14.280 -6.590 5.284 400 2HD2 ASN 55 2HD2 ASN 55 -15.124 -7.986 5.751 401 H ASP 56 H ASP 56 -16.426 -2.114 8.173 402 HA ASP 56 HA ASP 56 -13.931 -0.473 8.341 403 1HB ASP 56 2HB ASP 56 -16.881 0.111 8.009 404 2HB ASP 56 1HB ASP 56 -15.713 1.385 8.361 405 H MET 57 H MET 57 -15.606 -2.363 10.369 406 HA MET 57 HA MET 57 -15.703 -0.411 12.628 407 1HB MET 57 2HB MET 57 -17.624 -1.994 11.883 408 2HB MET 57 1HB MET 57 -16.660 -3.275 12.617 409 1HG MET 57 2HG MET 57 -16.560 -1.564 14.650 410 2HG MET 57 1HG MET 57 -18.049 -0.965 13.917 411 1HE MET 57 1HE MET 57 -16.970 -2.729 16.664 412 2HE MET 57 2HE MET 57 -18.477 -3.533 17.100 413 3HE MET 57 3HE MET 57 -18.489 -1.822 16.681 414 H THR 58 H THR 58 -13.900 -3.045 11.336 415 HA THR 58 HA THR 58 -12.199 -3.088 13.799 416 HB THR 58 HB THR 58 -12.717 -5.568 12.187 417 HG1 THR 58 1HG THR 58 -14.747 -5.386 12.659 418 1HG2 THR 58 1HG2 THR 58 -12.021 -4.895 15.046 419 2HG2 THR 58 2HG2 THR 58 -11.072 -5.816 13.880 420 3HG2 THR 58 3HG2 THR 58 -12.540 -6.511 14.567 421 HA PRO 59 HA PRO 59 -9.192 -2.358 10.606 422 1HB PRO 59 2HB PRO 59 -6.991 -2.421 12.235 423 2HB PRO 59 1HB PRO 59 -8.083 -1.025 12.136 424 1HG PRO 59 2HG PRO 59 -7.942 -3.174 14.190 425 2HG PRO 59 1HG PRO 59 -8.243 -1.440 14.388 426 1HD PRO 59 2HD PRO 59 -10.214 -3.323 14.451 427 2HD PRO 59 1HD PRO 59 -10.478 -1.643 13.931 428 H VAL 60 H VAL 60 -8.226 -3.851 9.274 429 HA VAL 60 HA VAL 60 -7.215 -6.397 10.476 430 HB VAL 60 HB VAL 60 -8.827 -6.163 7.925 431 1HG1 VAL 60 1HG1 VAL 60 -8.810 -8.489 7.884 432 2HG1 VAL 60 2HG1 VAL 60 -8.560 -8.618 9.625 433 3HG1 VAL 60 3HG1 VAL 60 -7.220 -8.163 8.574 434 1HG2 VAL 60 1HG2 VAL 60 -10.341 -5.494 9.638 435 2HG2 VAL 60 2HG2 VAL 60 -9.693 -6.675 10.776 436 3HG2 VAL 60 3HG2 VAL 60 -10.654 -7.213 9.400 437 H GLY 61 H GLY 61 -7.326 -4.323 7.620 438 1HA GLY 61 2HA GLY 61 -4.985 -5.491 6.374 439 2HA GLY 61 1HA GLY 61 -5.749 -3.964 5.914 440 H ARG 62 H ARG 62 -2.830 -4.573 6.345 441 HA ARG 62 HA ARG 62 -2.340 -2.383 8.329 442 1HB ARG 62 2HB ARG 62 -0.872 -5.036 8.204 443 2HB ARG 62 1HB ARG 62 -0.622 -3.754 9.390 444 1HG ARG 62 2HG ARG 62 -3.319 -4.162 9.612 445 2HG ARG 62 1HG ARG 62 -2.753 -5.792 9.246 446 1HD ARG 62 2HD ARG 62 -2.599 -5.666 11.613 447 2HD ARG 62 1HD ARG 62 -0.944 -5.314 11.078 448 HE ARG 62 HE ARG 62 -1.345 -2.959 11.495 449 1HH1 ARG 62 1HH2 ARG 62 -4.425 -4.114 11.135 450 2HH1 ARG 62 2HH2 ARG 62 -5.089 -3.351 12.541 451 1HH2 ARG 62 1HH1 ARG 62 -2.007 -2.366 13.789 452 2HH2 ARG 62 2HH1 ARG 62 -3.721 -2.365 14.045 453 H LEU 63 H LEU 63 -0.254 -1.326 8.017 454 HA LEU 63 HA LEU 63 0.672 -1.450 5.198 455 1HB LEU 63 2HB LEU 63 0.995 0.446 7.534 456 2HB LEU 63 1HB LEU 63 1.913 0.650 6.041 457 HG LEU 63 HG LEU 63 -0.416 0.452 4.874 458 1HD1 LEU 63 1HD1 LEU 63 -1.767 1.798 7.002 459 2HD1 LEU 63 2HD1 LEU 63 -1.136 0.279 7.635 460 3HD1 LEU 63 3HD1 LEU 63 -2.202 0.273 6.230 461 1HD2 LEU 63 1HD2 LEU 63 0.710 2.512 4.685 462 2HD2 LEU 63 2HD2 LEU 63 0.662 2.802 6.424 463 3HD2 LEU 63 3HD2 LEU 63 -0.808 2.961 5.463 464 H VAL 64 H VAL 64 2.596 -2.444 4.682 465 HA VAL 64 HA VAL 64 4.198 -3.711 6.779 466 HB VAL 64 HB VAL 64 4.615 -3.438 3.785 467 1HG1 VAL 64 1HG1 VAL 64 5.615 -5.874 4.626 468 2HG1 VAL 64 2HG1 VAL 64 6.059 -4.797 5.950 469 3HG1 VAL 64 3HG1 VAL 64 6.584 -4.436 4.306 470 1HG2 VAL 64 1HG2 VAL 64 3.365 -5.750 5.284 471 2HG2 VAL 64 2HG2 VAL 64 3.380 -5.469 3.543 472 3HG2 VAL 64 3HG2 VAL 64 2.400 -4.444 4.593 473 H THR 65 H THR 65 4.072 -0.576 5.907 474 HA THR 65 HA THR 65 7.045 -0.187 6.051 475 HB THR 65 HB THR 65 6.545 1.955 4.894 476 HG1 THR 65 1HG THR 65 4.500 2.372 5.604 477 1HG2 THR 65 1HG2 THR 65 5.921 0.995 2.744 478 2HG2 THR 65 2HG2 THR 65 5.231 -0.418 3.542 479 3HG2 THR 65 3HG2 THR 65 6.972 -0.136 3.597 480 H VAL 66 H VAL 66 7.653 1.893 7.218 481 HA VAL 66 HA VAL 66 6.770 1.975 9.879 482 HB VAL 66 HB VAL 66 7.847 4.270 9.779 483 1HG1 VAL 66 1HG1 VAL 66 9.913 2.949 8.395 484 2HG1 VAL 66 2HG1 VAL 66 8.975 1.676 9.174 485 3HG1 VAL 66 3HG1 VAL 66 9.660 2.983 10.140 486 1HG2 VAL 66 1HG2 VAL 66 8.384 3.588 6.889 487 2HG2 VAL 66 2HG2 VAL 66 8.651 5.121 7.717 488 3HG2 VAL 66 3HG2 VAL 66 7.010 4.588 7.357 489 H ASN 67 H ASN 67 5.952 4.456 10.615 490 HA ASN 67 HA ASN 67 3.188 4.540 10.354 491 1HB ASN 67 2HB ASN 67 3.428 6.895 11.042 492 2HB ASN 67 1HB ASN 67 4.605 5.890 11.886 493 1HD2 ASN 67 1HD2 ASN 67 6.876 6.057 11.218 494 2HD2 ASN 67 2HD2 ASN 67 7.419 7.363 10.280 495 HA PRO 68 HA PRO 68 2.399 5.747 6.201 496 1HB PRO 68 2HB PRO 68 -0.061 6.904 6.525 497 2HB PRO 68 1HB PRO 68 0.199 5.149 6.586 498 1HG PRO 68 2HG PRO 68 -0.143 7.091 8.815 499 2HG PRO 68 1HG PRO 68 -0.749 5.435 8.656 500 1HD PRO 68 2HD PRO 68 1.427 6.109 10.160 501 2HD PRO 68 1HD PRO 68 1.199 4.510 9.418 502 H PHE 69 H PHE 69 4.045 7.406 6.012 503 HA PHE 69 HA PHE 69 2.936 10.145 5.909 504 1HB PHE 69 2HB PHE 69 3.685 9.975 8.207 505 2HB PHE 69 1HB PHE 69 5.218 9.264 7.705 506 HD1 PHE 69 1HD PHE 69 3.925 11.851 5.536 507 HD2 PHE 69 2HD PHE 69 6.286 11.140 9.054 508 HE1 PHE 69 1HE PHE 69 4.911 14.118 5.335 509 HE2 PHE 69 2HE PHE 69 7.269 13.408 8.853 510 HZ PHE 69 HZ PHE 69 6.580 14.898 6.993 511 H VAL 70 H VAL 70 3.632 10.895 3.947 512 HA VAL 70 HA VAL 70 6.070 9.722 2.720 513 HB VAL 70 HB VAL 70 3.769 9.950 1.619 514 1HG1 VAL 70 1HG1 VAL 70 2.880 12.006 1.162 515 2HG1 VAL 70 2HG1 VAL 70 4.461 12.746 0.906 516 3HG1 VAL 70 3HG1 VAL 70 3.857 12.498 2.545 517 1HG2 VAL 70 1HG2 VAL 70 6.246 11.153 0.354 518 2HG2 VAL 70 2HG2 VAL 70 4.787 10.762 -0.555 519 3HG2 VAL 70 3HG2 VAL 70 5.696 9.482 0.247 520 H ALA 71 H ALA 71 7.063 11.174 4.686 521 HA ALA 71 HA ALA 71 7.315 14.022 4.166 522 1HB ALA 71 1HB ALA 71 8.365 13.962 6.198 523 2HB ALA 71 2HB ALA 71 9.387 12.601 5.734 524 3HB ALA 71 3HB ALA 71 7.728 12.319 6.263 525 H THR 72 H THR 72 8.002 13.904 1.852 526 HA THR 72 HA THR 72 10.961 13.566 1.650 527 HB THR 72 HB THR 72 9.236 12.590 -0.587 528 HG1 THR 72 1HG THR 72 8.254 11.605 1.142 529 1HG2 THR 72 1HG2 THR 72 11.632 11.232 0.613 530 2HG2 THR 72 2HG2 THR 72 11.848 12.676 -0.377 531 3HG2 THR 72 3HG2 THR 72 11.082 11.244 -1.063 532 H SER 73 H SER 73 11.907 14.950 0.069 533 HA SER 73 HA SER 73 10.482 17.383 -0.544 534 1HB SER 73 2HB SER 73 12.904 17.269 -0.213 535 2HB SER 73 1HB SER 73 13.065 16.158 -1.569 536 HG SER 73 HG SER 73 11.845 18.678 -1.892 537 H SER 74 H SER 74 10.637 14.308 -2.085 538 HA SER 74 HA SER 74 9.487 15.481 -4.598 539 1HB SER 74 2HB SER 74 10.660 12.778 -4.687 540 2HB SER 74 1HB SER 74 10.911 14.144 -5.769 541 HG SER 74 HG SER 74 12.791 13.632 -4.565 542 H ALA 75 H ALA 75 8.203 14.413 -1.991 543 HA ALA 75 HA ALA 75 6.896 11.916 -2.671 544 1HB ALA 75 1HB ALA 75 6.304 14.135 -0.695 545 2HB ALA 75 2HB ALA 75 7.187 12.642 -0.374 546 3HB ALA 75 3HB ALA 75 5.458 12.588 -0.716 547 H ASN 76 H ASN 76 6.569 14.892 -4.090 548 HA ASN 76 HA ASN 76 3.651 14.907 -4.329 549 1HB ASN 76 2HB ASN 76 5.938 16.568 -5.408 550 2HB ASN 76 1HB ASN 76 4.258 16.875 -5.853 551 1HD2 ASN 76 1HD2 ASN 76 6.614 17.154 -3.260 552 2HD2 ASN 76 2HD2 ASN 76 5.603 17.977 -2.174 553 H SER 77 H SER 77 5.444 12.663 -5.394 554 HA SER 77 HA SER 77 4.446 12.767 -8.210 555 1HB SER 77 2HB SER 77 6.538 12.098 -8.965 556 2HB SER 77 1HB SER 77 7.026 13.013 -7.539 557 HG SER 77 HG SER 77 7.710 11.219 -6.699 558 H LYS 78 H LYS 78 4.856 10.231 -9.000 559 HA LYS 78 HA LYS 78 2.887 8.686 -7.610 560 1HB LYS 78 2HB LYS 78 5.095 7.972 -9.570 561 2HB LYS 78 1HB LYS 78 3.787 6.878 -9.121 562 1HG LYS 78 2HG LYS 78 2.339 7.908 -10.509 563 2HG LYS 78 1HG LYS 78 2.768 9.497 -9.874 564 1HD LYS 78 2HD LYS 78 3.989 9.936 -11.710 565 2HD LYS 78 1HD LYS 78 4.961 8.489 -11.436 566 1HE LYS 78 2HE LYS 78 3.850 8.373 -13.644 567 2HE LYS 78 1HE LYS 78 3.189 7.128 -12.565 568 1HZ LYS 78 1HZ LYS 78 2.028 9.847 -12.771 569 2HZ LYS 78 2HZ LYS 78 1.343 8.472 -12.046 570 3HZ LYS 78 3HZ LYS 78 1.494 8.558 -13.736 571 H VAL 79 H VAL 79 3.598 8.670 -5.374 572 HA VAL 79 HA VAL 79 6.193 7.635 -4.605 573 HB VAL 79 HB VAL 79 5.226 7.882 -2.372 574 1HG1 VAL 79 1HG1 VAL 79 5.575 10.080 -2.708 575 2HG1 VAL 79 2HG1 VAL 79 3.898 10.221 -3.232 576 3HG1 VAL 79 3HG1 VAL 79 5.169 9.918 -4.417 577 1HG2 VAL 79 1HG2 VAL 79 2.899 7.011 -3.532 578 2HG2 VAL 79 2HG2 VAL 79 2.573 8.734 -3.343 579 3HG2 VAL 79 3HG2 VAL 79 2.994 7.756 -1.936 580 H LEU 80 H LEU 80 6.099 5.652 -2.942 581 HA LEU 80 HA LEU 80 4.306 3.534 -4.095 582 1HB LEU 80 2HB LEU 80 6.910 3.720 -4.623 583 2HB LEU 80 1HB LEU 80 7.044 2.922 -3.055 584 HG LEU 80 HG LEU 80 5.182 1.881 -5.188 585 1HD1 LEU 80 1HD1 LEU 80 7.991 2.026 -5.414 586 2HD1 LEU 80 2HD1 LEU 80 6.897 1.043 -6.386 587 3HD1 LEU 80 3HD1 LEU 80 7.636 0.366 -4.935 588 1HD2 LEU 80 1HD2 LEU 80 4.694 0.828 -3.162 589 2HD2 LEU 80 2HD2 LEU 80 6.363 0.912 -2.600 590 3HD2 LEU 80 3HD2 LEU 80 5.906 -0.264 -3.832 591 H VAL 81 H VAL 81 3.105 2.503 -2.559 592 HA VAL 81 HA VAL 81 3.971 2.705 0.304 593 HB VAL 81 HB VAL 81 1.184 2.215 -0.760 594 1HG1 VAL 81 1HG1 VAL 81 0.597 3.330 1.406 595 2HG1 VAL 81 2HG1 VAL 81 2.316 3.376 1.801 596 3HG1 VAL 81 3HG1 VAL 81 1.494 1.827 1.618 597 1HG2 VAL 81 1HG2 VAL 81 2.824 4.610 -1.006 598 2HG2 VAL 81 2HG2 VAL 81 1.380 4.915 -0.040 599 3HG2 VAL 81 3HG2 VAL 81 1.228 4.280 -1.678 600 H GLU 82 H GLU 82 3.017 0.786 1.619 601 HA GLU 82 HA GLU 82 2.799 -1.735 0.056 602 1HB GLU 82 2HB GLU 82 5.079 -0.799 1.696 603 2HB GLU 82 1HB GLU 82 4.567 -2.456 2.019 604 1HG GLU 82 2HG GLU 82 4.519 -2.531 -0.666 605 2HG GLU 82 1HG GLU 82 5.750 -1.285 -0.452 606 H MET 83 H MET 83 1.495 -3.244 1.121 607 HA MET 83 HA MET 83 0.901 -2.890 4.005 608 1HB MET 83 2HB MET 83 -1.592 -2.917 3.315 609 2HB MET 83 1HB MET 83 -0.699 -1.420 3.055 610 1HG MET 83 2HG MET 83 -0.301 -2.061 0.705 611 2HG MET 83 1HG MET 83 -1.207 -3.552 0.962 612 1HE MET 83 1HE MET 83 -1.341 -1.581 -1.082 613 2HE MET 83 2HE MET 83 -2.582 -0.331 -1.083 614 3HE MET 83 3HE MET 83 -3.027 -2.002 -1.414 615 H GLU 84 H GLU 84 0.133 -4.818 4.949 616 HA GLU 84 HA GLU 84 0.147 -7.204 3.194 617 1HB GLU 84 2HB GLU 84 0.495 -8.238 5.602 618 2HB GLU 84 1HB GLU 84 1.845 -7.475 4.769 619 1HG GLU 84 2HG GLU 84 1.753 -5.564 6.103 620 2HG GLU 84 1HG GLU 84 0.056 -5.806 6.509 621 HA PRO 85 HA PRO 85 -4.191 -6.674 4.716 622 1HB PRO 85 2HB PRO 85 -5.385 -7.106 2.292 623 2HB PRO 85 1HB PRO 85 -4.838 -5.505 2.829 624 1HG PRO 85 2HG PRO 85 -3.548 -7.415 0.949 625 2HG PRO 85 1HG PRO 85 -3.623 -5.647 0.890 626 1HD PRO 85 2HD PRO 85 -1.428 -7.054 1.724 627 2HD PRO 85 1HD PRO 85 -1.800 -5.397 2.244 628 HA PRO 86 HA PRO 86 -4.832 -11.009 5.010 629 1HB PRO 86 2HB PRO 86 -7.557 -11.124 5.256 630 2HB PRO 86 1HB PRO 86 -6.490 -10.553 6.555 631 1HG PRO 86 2HG PRO 86 -8.109 -8.982 4.609 632 2HG PRO 86 1HG PRO 86 -7.825 -8.694 6.332 633 1HD PRO 86 2HD PRO 86 -6.527 -7.336 4.370 634 2HD PRO 86 1HD PRO 86 -5.812 -7.659 5.964 635 H PHE 87 H PHE 87 -5.392 -12.806 3.697 636 HA PHE 87 HA PHE 87 -5.641 -12.427 0.892 637 1HB PHE 87 2HB PHE 87 -6.683 -14.910 2.196 638 2HB PHE 87 1HB PHE 87 -5.554 -14.743 0.853 639 HD1 PHE 87 1HD PHE 87 -3.284 -13.464 1.515 640 HD2 PHE 87 2HD PHE 87 -5.818 -15.614 4.233 641 HE1 PHE 87 1HE PHE 87 -1.387 -13.706 3.090 642 HE2 PHE 87 2HE PHE 87 -3.922 -15.861 5.809 643 HZ PHE 87 HZ PHE 87 -1.703 -14.908 5.239 644 H GLY 88 H GLY 88 -7.427 -12.235 -0.449 645 1HA GLY 88 2HA GLY 88 -9.833 -12.920 -0.808 646 2HA GLY 88 1HA GLY 88 -10.116 -12.406 0.856 647 H ASP 89 H ASP 89 -11.211 -10.510 0.859 648 HA ASP 89 HA ASP 89 -10.437 -8.435 -1.169 649 1HB ASP 89 2HB ASP 89 -12.752 -9.676 -1.168 650 2HB ASP 89 1HB ASP 89 -13.118 -8.610 0.189 651 H SER 90 H SER 90 -10.190 -6.303 -0.384 652 HA SER 90 HA SER 90 -10.614 -5.841 2.536 653 1HB SER 90 2HB SER 90 -8.102 -4.831 1.310 654 2HB SER 90 1HB SER 90 -8.377 -5.482 2.924 655 HG SER 90 HG SER 90 -7.765 -7.349 2.203 656 H TYR 91 H TYR 91 -11.346 -3.748 2.947 657 HA TYR 91 HA TYR 91 -11.663 -1.958 0.585 658 1HB TYR 91 2HB TYR 91 -13.042 -2.510 3.154 659 2HB TYR 91 1HB TYR 91 -13.057 -0.825 2.633 660 HD1 TYR 91 1HD TYR 91 -15.482 -0.857 2.199 661 HD2 TYR 91 2HD TYR 91 -12.804 -3.545 0.185 662 HE1 TYR 91 1HE TYR 91 -17.252 -1.383 0.543 663 HE2 TYR 91 2HE TYR 91 -14.574 -4.070 -1.470 664 HH TYR 91 HH TYR 91 -17.729 -3.497 -1.027 665 H ILE 92 H ILE 92 -10.088 -0.415 0.361 666 HA ILE 92 HA ILE 92 -8.728 0.578 2.841 667 HB ILE 92 HB ILE 92 -7.960 0.370 -0.081 668 1HG1 ILE 92 2HG1 ILE 92 -5.958 -0.782 1.178 669 2HG1 ILE 92 1HG1 ILE 92 -7.108 -0.896 2.510 670 1HG2 ILE 92 1HG2 ILE 92 -6.434 1.739 2.156 671 2HG2 ILE 92 2HG2 ILE 92 -7.208 2.559 0.799 672 3HG2 ILE 92 3HG2 ILE 92 -5.843 1.478 0.516 673 1HD1 ILE 92 1HD1 ILE 92 -8.094 -2.661 1.529 674 2HD1 ILE 92 2HD1 ILE 92 -6.923 -2.573 0.213 675 3HD1 ILE 92 3HD1 ILE 92 -8.442 -1.684 0.103 676 H VAL 93 H VAL 93 -8.997 2.740 3.376 677 HA VAL 93 HA VAL 93 -10.274 4.518 1.319 678 HB VAL 93 HB VAL 93 -10.662 4.590 4.324 679 1HG1 VAL 93 1HG1 VAL 93 -12.845 5.716 3.424 680 2HG1 VAL 93 2HG1 VAL 93 -11.917 5.933 1.939 681 3HG1 VAL 93 3HG1 VAL 93 -11.351 6.653 3.446 682 1HG2 VAL 93 1HG2 VAL 93 -13.008 3.649 3.131 683 2HG2 VAL 93 2HG2 VAL 93 -11.870 2.694 4.081 684 3HG2 VAL 93 3HG2 VAL 93 -11.725 2.749 2.324 685 H VAL 94 H VAL 94 -8.927 6.187 0.800 686 HA VAL 94 HA VAL 94 -6.865 7.053 2.792 687 HB VAL 94 HB VAL 94 -7.081 7.555 -0.195 688 1HG1 VAL 94 1HG1 VAL 94 -5.038 8.116 1.928 689 2HG1 VAL 94 2HG1 VAL 94 -5.561 9.132 0.585 690 3HG1 VAL 94 3HG1 VAL 94 -4.488 7.765 0.290 691 1HG2 VAL 94 1HG2 VAL 94 -4.989 5.767 0.310 692 2HG2 VAL 94 2HG2 VAL 94 -6.543 5.372 -0.424 693 3HG2 VAL 94 3HG2 VAL 94 -6.315 5.181 1.315 694 H GLY 95 H GLY 95 -7.946 8.657 3.999 695 1HA GLY 95 2HA GLY 95 -8.594 11.133 2.548 696 2HA GLY 95 1HA GLY 95 -9.953 10.385 3.388 697 H MET 96 H MET 96 -9.184 12.894 4.183 698 HA MET 96 HA MET 96 -7.549 12.487 6.656 699 1HB MET 96 2HB MET 96 -7.482 14.363 4.614 700 2HB MET 96 1HB MET 96 -8.353 15.208 5.894 701 1HG MET 96 2HG MET 96 -6.496 14.432 7.474 702 2HG MET 96 1HG MET 96 -5.595 13.978 6.026 703 1HE MET 96 1HE MET 96 -4.679 16.736 4.140 704 2HE MET 96 2HE MET 96 -6.425 16.867 3.937 705 3HE MET 96 3HE MET 96 -5.677 15.277 4.071 706 H GLY 97 H GLY 97 -10.448 14.307 5.576 707 1HA GLY 97 2HA GLY 97 -12.022 13.374 7.830 708 2HA GLY 97 1HA GLY 97 -11.496 15.046 8.040 709 H ASP 98 H ASP 98 -11.600 15.859 5.320 710 HA ASP 98 HA ASP 98 -14.531 16.147 5.015 711 1HB ASP 98 2HB ASP 98 -12.041 17.532 4.229 712 2HB ASP 98 1HB ASP 98 -13.322 17.592 3.018 713 H LYS 99 H LYS 99 -12.238 16.059 2.333 714 HA LYS 99 HA LYS 99 -13.977 14.273 0.829 715 1HB LYS 99 2HB LYS 99 -11.303 15.609 0.354 716 2HB LYS 99 1HB LYS 99 -12.090 14.601 -0.861 717 1HG LYS 99 2HG LYS 99 -13.967 16.510 0.247 718 2HG LYS 99 1HG LYS 99 -12.546 17.337 -0.391 719 1HD LYS 99 2HD LYS 99 -12.860 15.744 -2.445 720 2HD LYS 99 1HD LYS 99 -14.506 15.570 -1.833 721 1HE LYS 99 2HE LYS 99 -13.207 18.267 -2.343 722 2HE LYS 99 1HE LYS 99 -14.246 17.439 -3.521 723 1HZ LYS 99 1HZ LYS 99 -15.699 18.758 -2.256 724 2HZ LYS 99 2HZ LYS 99 -14.943 18.351 -0.789 725 3HZ LYS 99 3HZ LYS 99 -15.875 17.197 -1.617 726 H GLN 100 H GLN 100 -13.774 12.061 0.760 727 HA GLN 100 HA GLN 100 -11.154 10.858 1.573 728 1HB GLN 100 2HB GLN 100 -12.296 10.330 3.477 729 2HB GLN 100 1HB GLN 100 -13.862 10.636 2.731 730 1HG GLN 100 2HG GLN 100 -12.242 8.195 2.010 731 2HG GLN 100 1HG GLN 100 -13.312 8.200 3.413 732 1HE2 GLN 100 1HE2 GLN 100 -14.657 10.317 1.187 733 2HE2 GLN 100 2HE2 GLN 100 -15.713 9.250 0.406 734 H ILE 101 H ILE 101 -10.667 8.874 0.497 735 HA ILE 101 HA ILE 101 -12.477 8.204 -1.803 736 HB ILE 101 HB ILE 101 -9.448 8.157 -1.596 737 1HG1 ILE 101 2HG1 ILE 101 -10.370 10.439 -1.667 738 2HG1 ILE 101 1HG1 ILE 101 -9.584 10.049 -3.197 739 1HG2 ILE 101 1HG2 ILE 101 -10.583 8.088 -4.264 740 2HG2 ILE 101 2HG2 ILE 101 -11.169 6.731 -3.303 741 3HG2 ILE 101 3HG2 ILE 101 -9.436 6.977 -3.516 742 1HD1 ILE 101 1HD1 ILE 101 -11.741 11.117 -3.636 743 2HD1 ILE 101 2HD1 ILE 101 -12.561 9.921 -2.633 744 3HD1 ILE 101 3HD1 ILE 101 -11.800 9.429 -4.146 745 H ASN 102 H ASN 102 -13.268 6.145 -1.620 746 HA ASN 102 HA ASN 102 -11.727 4.170 0.022 747 1HB ASN 102 2HB ASN 102 -13.949 3.104 0.292 748 2HB ASN 102 1HB ASN 102 -13.991 4.797 0.790 749 1HD2 ASN 102 1HD2 ASN 102 -15.992 2.754 -0.641 750 2HD2 ASN 102 2HD2 ASN 102 -16.671 3.726 -1.856 751 H HIS 103 H HIS 103 -11.033 2.288 -0.963 752 HA HIS 103 HA HIS 103 -11.928 1.784 -3.783 753 1HB HIS 103 2HB HIS 103 -9.268 2.006 -2.469 754 2HB HIS 103 1HB HIS 103 -9.433 0.728 -3.673 755 HD1 HIS 103 1HD HIS 103 -11.625 3.581 -4.345 756 HD2 HIS 103 2HD HIS 103 -7.705 2.522 -5.290 757 HE1 HIS 103 1HE HIS 103 -10.916 5.088 -6.252 758 H HIS 104 H HIS 104 -11.688 -0.560 -4.400 759 HA HIS 104 HA HIS 104 -12.232 -2.332 -2.043 760 1HB HIS 104 2HB HIS 104 -13.035 -2.869 -4.899 761 2HB HIS 104 1HB HIS 104 -13.803 -3.432 -3.415 762 HD1 HIS 104 1HD HIS 104 -14.745 -1.384 -5.974 763 HD2 HIS 104 2HD HIS 104 -14.364 -0.609 -1.895 764 HE1 HIS 104 1HE HIS 104 -16.187 0.642 -5.491 765 H TRP 105 H TRP 105 -9.958 -2.879 -1.777 766 HA TRP 105 HA TRP 105 -8.214 -3.805 -3.818 767 1HB TRP 105 2HB TRP 105 -7.909 -3.191 -1.287 768 2HB TRP 105 1HB TRP 105 -8.256 -4.898 -1.013 769 HD1 TRP 105 HD TRP 105 -5.491 -2.613 -1.804 770 HE1 TRP 105 1HE TRP 105 -3.399 -3.927 -2.540 771 HE3 TRP 105 3HE TRP 105 -7.558 -7.224 -2.550 772 HZ2 TRP 105 2HZ TRP 105 -2.695 -6.579 -3.340 773 HZ3 TRP 105 3HZ TRP 105 -6.154 -9.125 -3.298 774 HH2 TRP 105 HH TRP 105 -3.727 -8.809 -3.693 775 H HIS 106 H HIS 106 -8.828 -5.461 -5.203 776 HA HIS 106 HA HIS 106 -9.560 -8.069 -3.974 777 1HB HIS 106 2HB HIS 106 -11.524 -6.429 -4.748 778 2HB HIS 106 1HB HIS 106 -11.142 -7.115 -6.327 779 HD1 HIS 106 1HD HIS 106 -13.158 -8.661 -6.560 780 HD2 HIS 106 2HD HIS 106 -11.068 -9.260 -3.002 781 HE1 HIS 106 1HE HIS 106 -14.105 -10.766 -5.518 782 H LYS 107 H LYS 107 -8.167 -9.525 -4.890 783 HA LYS 107 HA LYS 107 -7.208 -9.009 -7.684 784 1HB LYS 107 2HB LYS 107 -5.526 -8.978 -5.868 785 2HB LYS 107 1HB LYS 107 -6.012 -10.606 -5.395 786 1HG LYS 107 2HG LYS 107 -5.387 -10.365 -8.254 787 2HG LYS 107 1HG LYS 107 -4.012 -10.014 -7.206 788 1HD LYS 107 2HD LYS 107 -5.373 -12.296 -6.148 789 2HD LYS 107 1HD LYS 107 -5.107 -12.566 -7.871 790 1HE LYS 107 2HE LYS 107 -2.682 -11.587 -7.254 791 2HE LYS 107 1HE LYS 107 -3.106 -12.276 -5.675 792 1HZ LYS 107 1HZ LYS 107 -3.369 -13.710 -8.265 793 2HZ LYS 107 2HZ LYS 107 -3.653 -14.353 -6.717 794 3HZ LYS 107 3HZ LYS 107 -2.078 -13.919 -7.185 795 H ALA 108 H ALA 108 -9.247 -11.011 -5.859 796 HA ALA 108 HA ALA 108 -9.187 -13.084 -8.021 797 1HB ALA 108 1HB ALA 108 -8.058 -13.535 -5.663 798 2HB ALA 108 2HB ALA 108 -9.020 -14.791 -6.442 799 3HB ALA 108 3HB ALA 108 -9.726 -13.808 -5.160 800 H GLY 109 H GLY 109 -11.217 -13.500 -8.818 801 1HA GLY 109 2HA GLY 109 -13.573 -12.872 -7.100 802 2HA GLY 109 1HA GLY 109 -13.497 -12.231 -8.743 803 H SER 110 H SER 110 -15.183 -13.414 -9.657 804 HA SER 110 HA SER 110 -16.241 -15.298 -10.616 805 1HB SER 110 2HB SER 110 -13.666 -16.787 -10.226 806 2HB SER 110 1HB SER 110 -14.723 -16.746 -11.634 807 HG SER 110 HG SER 110 -14.066 -14.477 -11.806 808 H THR 111 H THR 111 -17.711 -15.967 -9.025 809 HA THR 111 HA THR 111 -16.731 -18.093 -7.151 810 HB THR 111 HB THR 111 -18.205 -17.079 -5.446 811 HG1 THR 111 1HG THR 111 -19.750 -16.167 -6.770 812 1HG2 THR 111 1HG2 THR 111 -15.856 -15.877 -6.581 813 2HG2 THR 111 2HG2 THR 111 -16.381 -15.889 -4.898 814 3HG2 THR 111 3HG2 THR 111 -16.922 -14.606 -5.980 Start of MODEL 12 1 1H ASP 1 1HT ASP 1 24.413 11.776 16.414 2 2H ASP 1 2HT ASP 1 24.243 13.206 17.315 3 3H ASP 1 3HT ASP 1 23.775 13.166 15.682 4 HA ASP 1 HA ASP 1 22.495 11.405 17.693 5 1HB ASP 1 2HB ASP 1 22.198 14.329 17.095 6 2HB ASP 1 1HB ASP 1 20.754 13.402 17.503 7 H LYS 2 H LYS 2 20.837 10.238 16.717 8 HA LYS 2 HA LYS 2 20.437 10.685 13.785 9 1HB LYS 2 2HB LYS 2 20.195 8.327 15.664 10 2HB LYS 2 1HB LYS 2 19.553 8.274 14.022 11 1HG LYS 2 2HG LYS 2 21.734 8.675 13.076 12 2HG LYS 2 1HG LYS 2 22.421 9.001 14.668 13 1HD LYS 2 2HD LYS 2 23.041 6.800 14.521 14 2HD LYS 2 1HD LYS 2 21.401 6.539 15.117 15 1HE LYS 2 2HE LYS 2 20.918 5.403 13.219 16 2HE LYS 2 1HE LYS 2 21.256 6.867 12.274 17 1HZ LYS 2 1HZ LYS 2 23.231 4.856 13.212 18 2HZ LYS 2 2HZ LYS 2 23.650 6.341 12.501 19 3HZ LYS 2 3HZ LYS 2 22.795 5.178 11.605 20 H LEU 3 H LEU 3 18.131 9.993 13.069 21 HA LEU 3 HA LEU 3 16.141 11.159 14.988 22 1HB LEU 3 2HB LEU 3 16.882 12.109 12.584 23 2HB LEU 3 1HB LEU 3 15.644 10.971 12.050 24 HG LEU 3 HG LEU 3 14.649 12.391 14.332 25 1HD1 LEU 3 1HD1 LEU 3 15.159 14.338 12.129 26 2HD1 LEU 3 2HD1 LEU 3 16.491 14.001 13.235 27 3HD1 LEU 3 3HD1 LEU 3 14.964 14.624 13.858 28 1HD2 LEU 3 1HD2 LEU 3 13.801 12.856 11.480 29 2HD2 LEU 3 2HD2 LEU 3 12.799 12.737 12.926 30 3HD2 LEU 3 3HD2 LEU 3 13.531 11.288 12.238 31 H ALA 4 H ALA 4 14.858 9.566 15.840 32 HA ALA 4 HA ALA 4 14.563 6.963 14.520 33 1HB ALA 4 1HB ALA 4 13.472 8.259 17.032 34 2HB ALA 4 2HB ALA 4 14.770 7.071 16.917 35 3HB ALA 4 3HB ALA 4 13.106 6.595 16.577 36 H LEU 5 H LEU 5 12.418 6.065 13.986 37 HA LEU 5 HA LEU 5 10.569 8.166 12.934 38 1HB LEU 5 2HB LEU 5 9.859 6.339 11.420 39 2HB LEU 5 1HB LEU 5 11.606 6.572 11.351 40 HG LEU 5 HG LEU 5 10.968 4.723 13.466 41 1HD1 LEU 5 1HD1 LEU 5 10.071 2.893 12.040 42 2HD1 LEU 5 2HD1 LEU 5 9.887 4.041 10.714 43 3HD1 LEU 5 3HD1 LEU 5 8.935 4.235 12.186 44 1HD2 LEU 5 1HD2 LEU 5 12.228 3.822 10.926 45 2HD2 LEU 5 2HD2 LEU 5 12.785 3.625 12.588 46 3HD2 LEU 5 3HD2 LEU 5 13.016 5.164 11.757 47 H LYS 6 H LYS 6 9.588 8.395 15.133 48 HA LYS 6 HA LYS 6 7.949 6.047 15.992 49 1HB LYS 6 2HB LYS 6 8.507 8.668 17.412 50 2HB LYS 6 1HB LYS 6 7.895 7.175 18.128 51 1HG LYS 6 2HG LYS 6 10.031 6.045 17.472 52 2HG LYS 6 1HG LYS 6 10.641 7.604 16.918 53 1HD LYS 6 2HD LYS 6 10.288 8.526 19.201 54 2HD LYS 6 1HD LYS 6 9.764 6.931 19.742 55 1HE LYS 6 2HE LYS 6 12.400 7.104 18.334 56 2HE LYS 6 1HE LYS 6 12.312 7.687 20.008 57 1HZ LYS 6 1HZ LYS 6 11.504 5.647 20.759 58 2HZ LYS 6 2HZ LYS 6 12.724 5.207 19.660 59 3HZ LYS 6 3HZ LYS 6 11.091 5.118 19.201 60 H GLY 7 H GLY 7 5.782 6.977 17.100 61 1HA GLY 7 2HA GLY 7 4.371 8.412 14.932 62 2HA GLY 7 1HA GLY 7 3.607 7.578 16.287 63 H THR 8 H THR 8 6.237 9.929 16.563 64 HA THR 8 HA THR 8 5.134 11.395 18.693 65 HB THR 8 HB THR 8 6.609 13.172 17.049 66 HG1 THR 8 1HG THR 8 8.359 11.755 16.514 67 1HG2 THR 8 1HG2 THR 8 7.143 13.187 19.305 68 2HG2 THR 8 2HG2 THR 8 8.489 12.246 18.661 69 3HG2 THR 8 3HG2 THR 8 7.126 11.427 19.426 70 H THR 9 H THR 9 3.759 13.202 18.809 71 HA THR 9 HA THR 9 1.612 13.559 17.097 72 HB THR 9 HB THR 9 2.907 15.961 18.342 73 HG1 THR 9 1HG THR 9 1.833 14.884 20.326 74 1HG2 THR 9 1HG2 THR 9 0.547 16.185 19.230 75 2HG2 THR 9 2HG2 THR 9 0.124 14.776 18.258 76 3HG2 THR 9 3HG2 THR 9 0.685 16.252 17.473 77 H TYR 10 H TYR 10 1.156 15.137 15.400 78 HA TYR 10 HA TYR 10 3.165 16.827 14.220 79 1HB TYR 10 2HB TYR 10 3.080 13.958 13.533 80 2HB TYR 10 1HB TYR 10 3.085 15.032 12.134 81 HD1 TYR 10 1HD TYR 10 4.686 17.293 12.918 82 HD2 TYR 10 2HD TYR 10 5.244 13.141 13.866 83 HE1 TYR 10 1HE TYR 10 7.113 17.691 13.232 84 HE2 TYR 10 2HE TYR 10 7.671 13.538 14.178 85 HH TYR 10 HH TYR 10 9.027 16.797 14.072 86 H GLY 11 H GLY 11 2.411 17.600 11.999 87 1HA GLY 11 2HA GLY 11 -0.511 17.889 12.034 88 2HA GLY 11 1HA GLY 11 0.597 18.710 10.936 89 H MET 12 H MET 12 -1.490 16.007 11.331 90 HA MET 12 HA MET 12 -0.447 14.472 9.069 91 1HB MET 12 2HB MET 12 -3.083 14.290 10.555 92 2HB MET 12 1HB MET 12 -2.280 13.010 9.655 93 1HG MET 12 2HG MET 12 -0.542 12.812 11.257 94 2HG MET 12 1HG MET 12 -0.953 14.355 12.006 95 1HE MET 12 1HE MET 12 -2.059 14.760 13.672 96 2HE MET 12 2HE MET 12 -3.030 13.731 14.720 97 3HE MET 12 3HE MET 12 -3.778 14.514 13.331 98 H CYS 13 H CYS 13 -0.763 15.346 7.033 99 HA CYS 13 HA CYS 13 -3.532 16.082 6.272 100 1HB CYS 13 2HB CYS 13 -2.971 18.287 5.636 101 2HB CYS 13 1HB CYS 13 -2.128 18.072 7.166 102 H THR 14 H THR 14 -3.787 14.627 4.614 103 HA THR 14 HA THR 14 -2.068 14.874 2.237 104 HB THR 14 HB THR 14 -2.316 12.138 3.447 105 HG1 THR 14 1HG THR 14 -0.218 12.659 4.430 106 1HG2 THR 14 1HG2 THR 14 -1.173 13.171 1.149 107 2HG2 THR 14 2HG2 THR 14 -0.798 11.603 1.861 108 3HG2 THR 14 3HG2 THR 14 0.205 13.004 2.236 109 H GLU 15 H GLU 15 -4.768 15.449 2.425 110 HA GLU 15 HA GLU 15 -6.437 13.151 1.758 111 1HB GLU 15 2HB GLU 15 -8.132 14.901 1.462 112 2HB GLU 15 1HB GLU 15 -7.191 15.224 2.918 113 1HG GLU 15 2HG GLU 15 -5.687 16.569 1.134 114 2HG GLU 15 1HG GLU 15 -7.257 16.708 0.341 115 H LYS 16 H LYS 16 -4.028 13.750 -0.023 116 HA LYS 16 HA LYS 16 -5.557 13.979 -2.593 117 1HB LYS 16 2HB LYS 16 -2.791 15.042 -1.936 118 2HB LYS 16 1HB LYS 16 -3.656 15.265 -3.457 119 1HG LYS 16 2HG LYS 16 -5.208 16.079 -1.098 120 2HG LYS 16 1HG LYS 16 -3.732 17.016 -1.329 121 1HD LYS 16 2HD LYS 16 -4.930 16.680 -3.890 122 2HD LYS 16 1HD LYS 16 -6.197 17.203 -2.779 123 1HE LYS 16 2HE LYS 16 -3.890 18.749 -2.160 124 2HE LYS 16 1HE LYS 16 -4.089 18.788 -3.923 125 1HZ LYS 16 1HZ LYS 16 -6.612 18.980 -3.189 126 2HZ LYS 16 2HZ LYS 16 -5.624 20.348 -3.379 127 3HZ LYS 16 3HZ LYS 16 -5.906 19.710 -1.830 128 H PHE 17 H PHE 17 -5.284 11.442 -1.844 129 HA PHE 17 HA PHE 17 -2.679 10.345 -2.733 130 1HB PHE 17 2HB PHE 17 -4.792 9.655 -0.952 131 2HB PHE 17 1HB PHE 17 -4.736 8.406 -2.195 132 HD1 PHE 17 1HD PHE 17 -3.861 6.660 -0.809 133 HD2 PHE 17 2HD PHE 17 -1.787 10.398 -1.159 134 HE1 PHE 17 1HE PHE 17 -1.862 5.647 0.261 135 HE2 PHE 17 2HE PHE 17 0.213 9.392 -0.090 136 HZ PHE 17 HZ PHE 17 0.175 7.017 0.621 137 H SER 18 H SER 18 -2.453 9.153 -4.658 138 HA SER 18 HA SER 18 -4.871 9.037 -6.438 139 1HB SER 18 2HB SER 18 -2.047 9.974 -6.887 140 2HB SER 18 1HB SER 18 -3.001 9.382 -8.244 141 HG SER 18 HG SER 18 -4.661 10.910 -7.318 142 H PHE 19 H PHE 19 -5.308 6.817 -6.347 143 HA PHE 19 HA PHE 19 -3.366 4.738 -6.085 144 1HB PHE 19 2HB PHE 19 -5.971 4.470 -7.583 145 2HB PHE 19 1HB PHE 19 -5.205 3.310 -6.500 146 HD1 PHE 19 1HD PHE 19 -7.577 5.991 -6.764 147 HD2 PHE 19 2HD PHE 19 -4.975 3.960 -4.014 148 HE1 PHE 19 1HE PHE 19 -8.874 6.908 -4.860 149 HE2 PHE 19 2HE PHE 19 -6.273 4.878 -2.110 150 HZ PHE 19 HZ PHE 19 -8.222 6.352 -2.532 151 H ALA 20 H ALA 20 -1.643 4.925 -7.579 152 HA ALA 20 HA ALA 20 -2.193 5.281 -10.450 153 1HB ALA 20 1HB ALA 20 -0.180 6.013 -8.829 154 2HB ALA 20 2HB ALA 20 0.078 5.711 -10.547 155 3HB ALA 20 3HB ALA 20 0.467 4.462 -9.364 156 H LYS 21 H LYS 21 -1.315 2.679 -8.223 157 HA LYS 21 HA LYS 21 -1.860 0.710 -10.399 158 1HB LYS 21 2HB LYS 21 0.496 0.493 -8.517 159 2HB LYS 21 1HB LYS 21 0.224 -0.382 -10.026 160 1HG LYS 21 2HG LYS 21 0.180 2.078 -11.036 161 2HG LYS 21 1HG LYS 21 1.149 2.431 -9.604 162 1HD LYS 21 2HD LYS 21 2.578 1.823 -11.533 163 2HD LYS 21 1HD LYS 21 2.730 0.646 -10.227 164 1HE LYS 21 2HE LYS 21 0.542 -0.148 -11.916 165 2HE LYS 21 1HE LYS 21 1.978 0.131 -12.922 166 1HZ LYS 21 1HZ LYS 21 3.278 -1.244 -11.500 167 2HZ LYS 21 2HZ LYS 21 1.880 -2.125 -11.898 168 3HZ LYS 21 3HZ LYS 21 2.021 -1.391 -10.372 169 H ASN 22 H ASN 22 -2.787 -1.220 -9.614 170 HA ASN 22 HA ASN 22 -4.096 -1.147 -7.050 171 1HB ASN 22 2HB ASN 22 -4.607 -3.553 -7.715 172 2HB ASN 22 1HB ASN 22 -5.038 -2.341 -8.923 173 1HD2 ASN 22 1HD2 ASN 22 -4.795 -4.393 -10.380 174 2HD2 ASN 22 2HD2 ASN 22 -3.245 -4.706 -10.998 175 HA PRO 23 HA PRO 23 -1.060 -2.910 -4.421 176 1HB PRO 23 2HB PRO 23 -2.588 -4.491 -2.788 177 2HB PRO 23 1HB PRO 23 -2.581 -2.719 -2.688 178 1HG PRO 23 2HG PRO 23 -4.558 -4.534 -3.976 179 2HG PRO 23 1HG PRO 23 -4.824 -3.045 -3.054 180 1HD PRO 23 2HD PRO 23 -4.915 -3.161 -5.776 181 2HD PRO 23 1HD PRO 23 -4.461 -1.699 -4.872 182 H ALA 24 H ALA 24 0.372 -4.537 -4.910 183 HA ALA 24 HA ALA 24 -0.750 -7.160 -5.847 184 1HB ALA 24 1HB ALA 24 1.960 -6.461 -6.721 185 2HB ALA 24 2HB ALA 24 0.754 -5.279 -7.232 186 3HB ALA 24 3HB ALA 24 0.573 -6.974 -7.683 187 H ASP 25 H ASP 25 0.447 -9.045 -5.184 188 HA ASP 25 HA ASP 25 1.910 -8.687 -2.637 189 1HB ASP 25 2HB ASP 25 1.577 -11.114 -2.484 190 2HB ASP 25 1HB ASP 25 0.065 -10.340 -2.958 191 H THR 26 H THR 26 4.124 -8.812 -2.525 192 HA THR 26 HA THR 26 5.601 -9.699 -4.973 193 HB THR 26 HB THR 26 7.193 -8.390 -2.946 194 HG1 THR 26 1HG THR 26 5.576 -7.252 -2.166 195 1HG2 THR 26 1HG2 THR 26 7.510 -6.750 -4.785 196 2HG2 THR 26 2HG2 THR 26 6.222 -7.547 -5.689 197 3HG2 THR 26 3HG2 THR 26 7.716 -8.414 -5.334 198 H GLY 27 H GLY 27 4.649 -10.885 -2.011 199 1HA GLY 27 2HA GLY 27 6.430 -13.134 -2.114 200 2HA GLY 27 1HA GLY 27 6.958 -12.017 -0.854 201 H HIS 28 H HIS 28 6.270 -12.830 1.070 202 HA HIS 28 HA HIS 28 3.506 -13.982 1.213 203 1HB HIS 28 2HB HIS 28 6.018 -14.960 1.942 204 2HB HIS 28 1HB HIS 28 5.301 -14.450 3.471 205 HD1 HIS 28 1HD HIS 28 5.632 -17.438 1.884 206 HD2 HIS 28 2HD HIS 28 2.202 -15.361 3.022 207 HE1 HIS 28 1HE HIS 28 3.774 -19.152 2.036 208 H GLY 29 H GLY 29 2.304 -12.100 1.715 209 1HA GLY 29 2HA GLY 29 1.314 -10.746 3.417 210 2HA GLY 29 1HA GLY 29 2.722 -11.044 4.438 211 H THR 30 H THR 30 3.084 -10.017 1.107 212 HA THR 30 HA THR 30 3.849 -7.282 2.077 213 HB THR 30 HB THR 30 5.660 -7.569 0.220 214 HG1 THR 30 1HG THR 30 4.581 -9.587 -0.450 215 1HG2 THR 30 1HG2 THR 30 6.302 -7.438 2.528 216 2HG2 THR 30 2HG2 THR 30 7.120 -8.848 1.853 217 3HG2 THR 30 3HG2 THR 30 5.683 -9.058 2.852 218 H VAL 31 H VAL 31 2.233 -6.035 1.158 219 HA VAL 31 HA VAL 31 1.517 -6.542 -1.681 220 HB VAL 31 HB VAL 31 0.057 -5.086 0.541 221 1HG1 VAL 31 1HG1 VAL 31 -1.881 -5.363 -1.104 222 2HG1 VAL 31 2HG1 VAL 31 -0.667 -5.764 -2.319 223 3HG1 VAL 31 3HG1 VAL 31 -0.657 -4.176 -1.552 224 1HG2 VAL 31 1HG2 VAL 31 -0.427 -7.812 -0.707 225 2HG2 VAL 31 2HG2 VAL 31 -1.414 -7.062 0.548 226 3HG2 VAL 31 3HG2 VAL 31 0.249 -7.534 0.898 227 H VAL 32 H VAL 32 2.597 -5.141 -3.022 228 HA VAL 32 HA VAL 32 3.461 -2.501 -2.000 229 HB VAL 32 HB VAL 32 4.594 -2.557 -4.310 230 1HG1 VAL 32 1HG1 VAL 32 5.262 -4.892 -2.513 231 2HG1 VAL 32 2HG1 VAL 32 5.599 -3.223 -2.053 232 3HG1 VAL 32 3HG1 VAL 32 6.370 -3.917 -3.479 233 1HG2 VAL 32 1HG2 VAL 32 4.238 -5.491 -4.333 234 2HG2 VAL 32 2HG2 VAL 32 4.326 -4.358 -5.682 235 3HG2 VAL 32 3HG2 VAL 32 2.813 -4.564 -4.800 236 H ILE 33 H ILE 33 2.603 -0.580 -2.748 237 HA ILE 33 HA ILE 33 0.698 -0.626 -5.040 238 HB ILE 33 HB ILE 33 -0.337 -0.963 -2.668 239 1HG1 ILE 33 2HG1 ILE 33 -1.631 -0.409 -4.705 240 2HG1 ILE 33 1HG1 ILE 33 -2.278 0.426 -3.291 241 1HG2 ILE 33 1HG2 ILE 33 0.951 0.772 -1.525 242 2HG2 ILE 33 2HG2 ILE 33 -0.759 1.196 -1.496 243 3HG2 ILE 33 3HG2 ILE 33 0.328 1.996 -2.630 244 1HD1 ILE 33 1HD1 ILE 33 -0.910 1.531 -5.678 245 2HD1 ILE 33 2HD1 ILE 33 -0.459 2.256 -4.134 246 3HD1 ILE 33 3HD1 ILE 33 -2.145 2.258 -4.650 247 H GLU 34 H GLU 34 0.881 1.256 -6.269 248 HA GLU 34 HA GLU 34 2.698 3.380 -5.186 249 1HB GLU 34 2HB GLU 34 3.115 1.824 -7.299 250 2HB GLU 34 1HB GLU 34 2.077 3.010 -8.092 251 1HG GLU 34 2HG GLU 34 3.556 4.828 -7.357 252 2HG GLU 34 1HG GLU 34 4.584 3.666 -6.517 253 H LEU 35 H LEU 35 1.585 5.200 -4.610 254 HA LEU 35 HA LEU 35 -0.715 6.047 -6.336 255 1HB LEU 35 2HB LEU 35 -0.586 6.688 -3.406 256 2HB LEU 35 1HB LEU 35 -2.002 6.457 -4.432 257 HG LEU 35 HG LEU 35 -1.107 3.996 -4.631 258 1HD1 LEU 35 1HD1 LEU 35 -0.210 3.813 -1.988 259 2HD1 LEU 35 2HD1 LEU 35 0.648 5.205 -2.650 260 3HD1 LEU 35 3HD1 LEU 35 0.773 3.633 -3.441 261 1HD2 LEU 35 1HD2 LEU 35 -2.633 3.370 -2.953 262 2HD2 LEU 35 2HD2 LEU 35 -3.181 4.989 -3.389 263 3HD2 LEU 35 3HD2 LEU 35 -2.217 4.747 -1.932 264 H SER 36 H SER 36 -0.701 8.267 -6.852 265 HA SER 36 HA SER 36 1.769 9.721 -6.280 266 1HB SER 36 2HB SER 36 -0.011 11.324 -7.730 267 2HB SER 36 1HB SER 36 1.264 10.314 -8.404 268 HG SER 36 HG SER 36 -0.586 9.601 -9.331 269 H TYR 37 H TYR 37 1.910 11.115 -4.550 270 HA TYR 37 HA TYR 37 -0.601 11.867 -3.180 271 1HB TYR 37 2HB TYR 37 1.043 11.167 -1.672 272 2HB TYR 37 1HB TYR 37 2.350 11.895 -2.607 273 HD1 TYR 37 1HD TYR 37 3.356 13.743 -1.624 274 HD2 TYR 37 2HD TYR 37 -0.832 13.052 -0.971 275 HE1 TYR 37 1HE TYR 37 3.241 15.776 -0.208 276 HE2 TYR 37 2HE TYR 37 -0.947 15.084 0.446 277 HH TYR 37 HH TYR 37 1.564 17.390 0.558 278 H SER 38 H SER 38 -1.553 13.560 -4.347 279 HA SER 38 HA SER 38 0.138 15.785 -5.280 280 1HB SER 38 2HB SER 38 -2.036 14.423 -6.300 281 2HB SER 38 1HB SER 38 -2.772 15.899 -5.681 282 HG SER 38 HG SER 38 -1.428 15.586 -7.916 283 H GLY 39 H GLY 39 0.443 16.215 -2.809 284 1HA GLY 39 2HA GLY 39 -1.857 17.817 -1.778 285 2HA GLY 39 1HA GLY 39 -0.640 17.056 -0.755 286 H SER 40 H SER 40 -1.568 19.996 -1.688 287 HA SER 40 HA SER 40 0.947 21.189 -2.558 288 1HB SER 40 2HB SER 40 -0.347 23.142 -2.658 289 2HB SER 40 1HB SER 40 -1.568 21.888 -2.863 290 HG SER 40 HG SER 40 -2.060 23.516 -1.251 291 H ASP 41 H ASP 41 0.223 19.827 0.324 292 HA ASP 41 HA ASP 41 1.357 21.978 2.037 293 1HB ASP 41 2HB ASP 41 -0.539 19.877 2.298 294 2HB ASP 41 1HB ASP 41 0.805 19.480 3.368 295 H GLY 42 H GLY 42 2.484 19.456 0.136 296 1HA GLY 42 2HA GLY 42 4.713 18.675 -0.058 297 2HA GLY 42 1HA GLY 42 5.107 19.527 1.435 298 HA PRO 43 HA PRO 43 5.147 15.221 2.757 299 1HB PRO 43 2HB PRO 43 6.680 15.697 4.975 300 2HB PRO 43 1HB PRO 43 7.366 15.490 3.351 301 1HG PRO 43 2HG PRO 43 6.842 17.986 4.881 302 2HG PRO 43 1HG PRO 43 8.206 17.573 3.833 303 1HD PRO 43 2HD PRO 43 6.155 19.179 3.045 304 2HD PRO 43 1HD PRO 43 7.092 18.168 1.921 305 H CYS 44 H CYS 44 3.808 14.237 4.289 306 HA CYS 44 HA CYS 44 2.893 15.581 6.705 307 1HB CYS 44 2HB CYS 44 1.703 16.319 4.292 308 2HB CYS 44 1HB CYS 44 0.580 15.144 4.976 309 H LYS 45 H LYS 45 1.283 14.192 7.863 310 HA LYS 45 HA LYS 45 1.861 11.365 7.496 311 1HB LYS 45 2HB LYS 45 -0.266 12.670 9.216 312 2HB LYS 45 1HB LYS 45 0.547 11.132 9.502 313 1HG LYS 45 2HG LYS 45 1.873 13.861 9.526 314 2HG LYS 45 1HG LYS 45 1.489 12.889 10.945 315 1HD LYS 45 2HD LYS 45 3.212 11.425 10.582 316 2HD LYS 45 1HD LYS 45 3.079 11.543 8.827 317 1HE LYS 45 2HE LYS 45 4.037 13.896 9.018 318 2HE LYS 45 1HE LYS 45 4.406 13.512 10.712 319 1HZ LYS 45 1HZ LYS 45 6.296 12.794 9.605 320 2HZ LYS 45 2HZ LYS 45 5.428 12.224 8.261 321 3HZ LYS 45 3HZ LYS 45 5.386 11.368 9.728 322 H ILE 46 H ILE 46 0.875 10.243 5.835 323 HA ILE 46 HA ILE 46 -1.628 11.115 4.646 324 HB ILE 46 HB ILE 46 -0.320 8.406 4.361 325 1HG1 ILE 46 2HG1 ILE 46 0.584 11.095 3.299 326 2HG1 ILE 46 1HG1 ILE 46 1.535 9.910 4.193 327 1HG2 ILE 46 1HG2 ILE 46 -1.788 8.232 2.661 328 2HG2 ILE 46 2HG2 ILE 46 -1.103 9.677 1.916 329 3HG2 ILE 46 3HG2 ILE 46 -2.435 9.823 3.061 330 1HD1 ILE 46 1HD1 ILE 46 2.180 8.996 2.244 331 2HD1 ILE 46 2HD1 ILE 46 1.151 10.117 1.352 332 3HD1 ILE 46 3HD1 ILE 46 0.500 8.576 1.910 333 HA PRO 47 HA PRO 47 -3.992 8.902 7.721 334 1HB PRO 47 2HB PRO 47 -6.377 10.080 7.098 335 2HB PRO 47 1HB PRO 47 -5.136 10.881 8.079 336 1HG PRO 47 2HG PRO 47 -5.906 11.345 5.270 337 2HG PRO 47 1HG PRO 47 -5.207 12.461 6.450 338 1HD PRO 47 2HD PRO 47 -3.849 11.161 4.365 339 2HD PRO 47 1HD PRO 47 -3.114 12.044 5.720 340 H ILE 48 H ILE 48 -3.449 7.068 6.020 341 HA ILE 48 HA ILE 48 -5.951 6.362 4.519 342 HB ILE 48 HB ILE 48 -3.006 6.040 4.006 343 1HG1 ILE 48 2HG1 ILE 48 -3.663 6.867 1.791 344 2HG1 ILE 48 1HG1 ILE 48 -5.364 6.791 2.249 345 1HG2 ILE 48 1HG2 ILE 48 -4.077 4.559 2.003 346 2HG2 ILE 48 2HG2 ILE 48 -5.169 4.124 3.319 347 3HG2 ILE 48 3HG2 ILE 48 -3.434 3.851 3.484 348 1HD1 ILE 48 1HD1 ILE 48 -3.489 8.363 3.976 349 2HD1 ILE 48 2HD1 ILE 48 -5.206 8.618 3.669 350 3HD1 ILE 48 3HD1 ILE 48 -4.017 9.066 2.447 351 H VAL 49 H VAL 49 -6.725 4.229 4.756 352 HA VAL 49 HA VAL 49 -5.341 2.545 6.820 353 HB VAL 49 HB VAL 49 -7.443 3.847 7.504 354 1HG1 VAL 49 1HG1 VAL 49 -9.429 3.494 6.450 355 2HG1 VAL 49 2HG1 VAL 49 -9.119 1.771 6.241 356 3HG1 VAL 49 3HG1 VAL 49 -8.421 2.935 5.115 357 1HG2 VAL 49 1HG2 VAL 49 -6.554 1.265 8.131 358 2HG2 VAL 49 2HG2 VAL 49 -8.291 1.087 7.881 359 3HG2 VAL 49 3HG2 VAL 49 -7.686 2.239 9.071 360 H SER 50 H SER 50 -5.206 0.352 6.303 361 HA SER 50 HA SER 50 -6.272 -0.443 3.623 362 1HB SER 50 2HB SER 50 -4.008 -1.462 5.365 363 2HB SER 50 1HB SER 50 -4.470 -2.194 3.832 364 HG SER 50 HG SER 50 -3.692 0.511 4.227 365 H VAL 51 H VAL 51 -8.325 -1.262 4.128 366 HA VAL 51 HA VAL 51 -8.493 -3.308 6.304 367 HB VAL 51 HB VAL 51 -10.603 -1.696 4.829 368 1HG1 VAL 51 1HG1 VAL 51 -11.548 -3.782 5.617 369 2HG1 VAL 51 2HG1 VAL 51 -12.068 -2.500 6.711 370 3HG1 VAL 51 3HG1 VAL 51 -10.768 -3.592 7.187 371 1HG2 VAL 51 1HG2 VAL 51 -10.061 -0.043 6.261 372 2HG2 VAL 51 2HG2 VAL 51 -8.828 -1.060 7.007 373 3HG2 VAL 51 3HG2 VAL 51 -10.487 -1.104 7.603 374 H ALA 52 H ALA 52 -9.685 -5.291 5.810 375 HA ALA 52 HA ALA 52 -9.088 -6.396 3.195 376 1HB ALA 52 1HB ALA 52 -11.076 -7.681 4.995 377 2HB ALA 52 2HB ALA 52 -9.493 -7.358 5.703 378 3HB ALA 52 3HB ALA 52 -9.624 -8.363 4.260 379 H SER 53 H SER 53 -10.876 -7.330 1.761 380 HA SER 53 HA SER 53 -12.868 -5.301 1.201 381 1HB SER 53 2HB SER 53 -11.909 -6.683 -0.551 382 2HB SER 53 1HB SER 53 -12.421 -8.155 0.269 383 HG SER 53 HG SER 53 -13.748 -7.021 -1.551 384 H LEU 54 H LEU 54 -14.340 -5.039 2.903 385 HA LEU 54 HA LEU 54 -16.525 -6.852 3.142 386 1HB LEU 54 2HB LEU 54 -14.206 -7.866 4.272 387 2HB LEU 54 1HB LEU 54 -15.060 -7.195 5.660 388 HG LEU 54 HG LEU 54 -15.767 -9.501 5.353 389 1HD1 LEU 54 1HD1 LEU 54 -18.262 -8.942 4.600 390 2HD1 LEU 54 2HD1 LEU 54 -17.680 -7.284 4.742 391 3HD1 LEU 54 3HD1 LEU 54 -17.621 -8.361 6.136 392 1HD2 LEU 54 1HD2 LEU 54 -16.279 -8.583 2.516 393 2HD2 LEU 54 2HD2 LEU 54 -17.024 -10.038 3.179 394 3HD2 LEU 54 3HD2 LEU 54 -15.268 -9.922 3.060 395 H ASN 55 H ASN 55 -14.695 -5.351 5.818 396 HA ASN 55 HA ASN 55 -17.115 -3.921 6.683 397 1HB ASN 55 2HB ASN 55 -14.259 -4.230 7.634 398 2HB ASN 55 1HB ASN 55 -15.386 -3.135 8.439 399 1HD2 ASN 55 1HD2 ASN 55 -14.163 -5.819 9.325 400 2HD2 ASN 55 2HD2 ASN 55 -15.506 -6.750 9.786 401 H ASP 56 H ASP 56 -17.205 -1.584 6.876 402 HA ASP 56 HA ASP 56 -15.529 -0.170 4.841 403 1HB ASP 56 2HB ASP 56 -18.218 0.411 6.123 404 2HB ASP 56 1HB ASP 56 -17.435 1.467 4.947 405 H MET 57 H MET 57 -16.334 -0.303 8.238 406 HA MET 57 HA MET 57 -14.563 2.074 8.717 407 1HB MET 57 2HB MET 57 -17.204 2.062 9.109 408 2HB MET 57 1HB MET 57 -16.736 1.279 10.618 409 1HG MET 57 2HG MET 57 -14.933 3.376 10.419 410 2HG MET 57 1HG MET 57 -16.430 4.075 9.801 411 1HE MET 57 1HE MET 57 -15.222 3.888 13.968 412 2HE MET 57 2HE MET 57 -14.704 4.761 12.529 413 3HE MET 57 3HE MET 57 -14.352 3.042 12.682 414 H THR 58 H THR 58 -13.737 -0.741 8.624 415 HA THR 58 HA THR 58 -12.873 -1.046 11.478 416 HB THR 58 HB THR 58 -13.444 -3.433 9.759 417 HG1 THR 58 1HG THR 58 -15.623 -3.309 10.413 418 1HG2 THR 58 1HG2 THR 58 -12.745 -2.936 12.440 419 2HG2 THR 58 2HG2 THR 58 -13.210 -4.483 11.732 420 3HG2 THR 58 3HG2 THR 58 -14.431 -3.452 12.477 421 HA PRO 59 HA PRO 59 -9.130 -1.112 8.934 422 1HB PRO 59 2HB PRO 59 -7.461 -0.369 10.969 423 2HB PRO 59 1HB PRO 59 -8.425 0.796 10.039 424 1HG PRO 59 2HG PRO 59 -8.923 -0.344 12.740 425 2HG PRO 59 1HG PRO 59 -9.210 1.295 12.134 426 1HD PRO 59 2HD PRO 59 -11.175 -0.584 12.438 427 2HD PRO 59 1HD PRO 59 -11.256 0.755 11.272 428 H VAL 60 H VAL 60 -8.110 -3.047 8.595 429 HA VAL 60 HA VAL 60 -7.393 -4.716 10.970 430 HB VAL 60 HB VAL 60 -8.116 -6.682 9.504 431 1HG1 VAL 60 1HG1 VAL 60 -10.189 -4.637 10.355 432 2HG1 VAL 60 2HG1 VAL 60 -9.483 -5.889 11.378 433 3HG1 VAL 60 3HG1 VAL 60 -10.522 -6.337 10.024 434 1HG2 VAL 60 1HG2 VAL 60 -10.010 -5.068 8.007 435 2HG2 VAL 60 2HG2 VAL 60 -8.889 -6.296 7.420 436 3HG2 VAL 60 3HG2 VAL 60 -8.352 -4.627 7.604 437 H GLY 61 H GLY 61 -6.733 -3.723 7.679 438 1HA GLY 61 2HA GLY 61 -4.471 -5.484 7.270 439 2HA GLY 61 1HA GLY 61 -4.847 -4.050 6.309 440 H ARG 62 H ARG 62 -2.203 -4.430 6.911 441 HA ARG 62 HA ARG 62 -1.719 -2.251 8.909 442 1HB ARG 62 2HB ARG 62 -0.044 -4.760 8.742 443 2HB ARG 62 1HB ARG 62 -0.124 -3.586 10.057 444 1HG ARG 62 2HG ARG 62 -2.628 -4.269 10.220 445 2HG ARG 62 1HG ARG 62 -2.143 -5.687 9.288 446 1HD ARG 62 2HD ARG 62 -0.803 -6.526 11.006 447 2HD ARG 62 1HD ARG 62 -0.549 -4.922 11.724 448 HE ARG 62 HE ARG 62 -3.312 -5.372 11.855 449 1HH1 ARG 62 1HH2 ARG 62 -0.583 -7.259 12.733 450 2HH1 ARG 62 2HH2 ARG 62 -1.234 -7.741 14.265 451 1HH2 ARG 62 1HH1 ARG 62 -4.101 -5.816 13.951 452 2HH2 ARG 62 2HH1 ARG 62 -3.225 -6.924 14.954 453 H LEU 63 H LEU 63 0.321 -1.131 8.551 454 HA LEU 63 HA LEU 63 1.205 -1.221 5.721 455 1HB LEU 63 2HB LEU 63 1.634 0.631 8.083 456 2HB LEU 63 1HB LEU 63 2.429 0.878 6.528 457 HG LEU 63 HG LEU 63 -0.211 0.465 5.807 458 1HD1 LEU 63 1HD1 LEU 63 -0.625 0.695 8.364 459 2HD1 LEU 63 2HD1 LEU 63 -1.630 1.646 7.270 460 3HD1 LEU 63 3HD1 LEU 63 -0.281 2.406 8.112 461 1HD2 LEU 63 1HD2 LEU 63 0.433 2.310 4.683 462 2HD2 LEU 63 2HD2 LEU 63 1.750 2.581 5.823 463 3HD2 LEU 63 3HD2 LEU 63 0.152 3.257 6.145 464 H VAL 64 H VAL 64 2.905 -2.598 5.277 465 HA VAL 64 HA VAL 64 4.682 -3.571 7.381 466 HB VAL 64 HB VAL 64 3.950 -4.949 5.481 467 1HG1 VAL 64 1HG1 VAL 64 4.207 -2.691 3.990 468 2HG1 VAL 64 2HG1 VAL 64 4.135 -4.311 3.297 469 3HG1 VAL 64 3HG1 VAL 64 5.695 -3.530 3.552 470 1HG2 VAL 64 1HG2 VAL 64 6.613 -5.031 4.564 471 2HG2 VAL 64 2HG2 VAL 64 5.910 -6.001 5.858 472 3HG2 VAL 64 3HG2 VAL 64 6.711 -4.476 6.235 473 H THR 65 H THR 65 4.900 -1.177 4.768 474 HA THR 65 HA THR 65 7.764 -0.700 5.216 475 HB THR 65 HB THR 65 6.435 -0.509 3.034 476 HG1 THR 65 1HG THR 65 7.604 1.961 3.440 477 1HG2 THR 65 1HG2 THR 65 4.496 0.684 3.865 478 2HG2 THR 65 2HG2 THR 65 5.331 1.719 2.707 479 3HG2 THR 65 3HG2 THR 65 5.508 2.011 4.438 480 H VAL 66 H VAL 66 8.390 1.720 5.614 481 HA VAL 66 HA VAL 66 7.851 2.579 8.174 482 HB VAL 66 HB VAL 66 8.138 4.327 5.706 483 1HG1 VAL 66 1HG1 VAL 66 9.186 4.898 8.476 484 2HG1 VAL 66 2HG1 VAL 66 7.546 5.356 8.016 485 3HG1 VAL 66 3HG1 VAL 66 8.924 6.024 7.144 486 1HG2 VAL 66 1HG2 VAL 66 10.059 2.662 7.306 487 2HG2 VAL 66 2HG2 VAL 66 10.624 4.166 6.576 488 3HG2 VAL 66 3HG2 VAL 66 9.965 2.884 5.559 489 H ASN 67 H ASN 67 6.387 4.276 9.032 490 HA ASN 67 HA ASN 67 3.663 3.877 8.634 491 1HB ASN 67 2HB ASN 67 5.236 6.358 9.389 492 2HB ASN 67 1HB ASN 67 3.485 6.235 9.569 493 1HD2 ASN 67 1HD2 ASN 67 2.738 5.287 11.485 494 2HD2 ASN 67 2HD2 ASN 67 3.706 4.402 12.563 495 HA PRO 68 HA PRO 68 2.688 5.686 4.760 496 1HB PRO 68 2HB PRO 68 0.153 6.607 5.220 497 2HB PRO 68 1HB PRO 68 0.538 4.882 5.052 498 1HG PRO 68 2HG PRO 68 0.050 6.483 7.510 499 2HG PRO 68 1HG PRO 68 -0.414 4.816 7.136 500 1HD PRO 68 2HD PRO 68 1.710 5.491 8.727 501 2HD PRO 68 1HD PRO 68 1.594 3.968 7.817 502 H PHE 69 H PHE 69 4.403 7.415 5.661 503 HA PHE 69 HA PHE 69 3.029 10.086 5.681 504 1HB PHE 69 2HB PHE 69 5.592 9.235 7.072 505 2HB PHE 69 1HB PHE 69 4.826 10.817 7.190 506 HD1 PHE 69 1HD PHE 69 5.469 8.832 9.483 507 HD2 PHE 69 2HD PHE 69 1.933 9.584 7.170 508 HE1 PHE 69 1HE PHE 69 4.067 8.021 11.361 509 HE2 PHE 69 2HE PHE 69 0.530 8.770 9.044 510 HZ PHE 69 HZ PHE 69 1.597 7.989 11.142 511 H VAL 70 H VAL 70 3.576 11.208 3.829 512 HA VAL 70 HA VAL 70 5.922 10.375 2.247 513 HB VAL 70 HB VAL 70 4.928 12.403 0.857 514 1HG1 VAL 70 1HG1 VAL 70 4.791 10.192 -0.008 515 2HG1 VAL 70 2HG1 VAL 70 3.132 10.789 0.001 516 3HG1 VAL 70 3HG1 VAL 70 3.678 9.685 1.264 517 1HG2 VAL 70 1HG2 VAL 70 2.708 13.006 1.334 518 2HG2 VAL 70 2HG2 VAL 70 3.454 12.957 2.932 519 3HG2 VAL 70 3HG2 VAL 70 2.458 11.610 2.382 520 H ALA 71 H ALA 71 7.083 11.206 4.450 521 HA ALA 71 HA ALA 71 7.467 14.061 4.735 522 1HB ALA 71 1HB ALA 71 7.922 11.832 6.224 523 2HB ALA 71 2HB ALA 71 8.690 13.384 6.554 524 3HB ALA 71 3HB ALA 71 9.554 12.152 5.635 525 H THR 72 H THR 72 7.815 13.905 2.104 526 HA THR 72 HA THR 72 10.764 14.207 1.739 527 HB THR 72 HB THR 72 9.148 12.849 -0.382 528 HG1 THR 72 1HG THR 72 9.938 10.880 0.920 529 1HG2 THR 72 1HG2 THR 72 11.749 11.780 0.455 530 2HG2 THR 72 2HG2 THR 72 11.809 13.474 -0.031 531 3HG2 THR 72 3HG2 THR 72 11.192 12.257 -1.148 532 H SER 73 H SER 73 11.286 15.544 -0.152 533 HA SER 73 HA SER 73 9.239 17.601 -0.678 534 1HB SER 73 2HB SER 73 12.164 17.181 -1.312 535 2HB SER 73 1HB SER 73 11.265 18.532 -1.996 536 HG SER 73 HG SER 73 11.893 19.391 -0.147 537 H SER 74 H SER 74 10.253 14.675 -2.088 538 HA SER 74 HA SER 74 9.187 15.495 -4.770 539 1HB SER 74 2HB SER 74 11.601 14.286 -3.951 540 2HB SER 74 1HB SER 74 10.660 12.998 -4.697 541 HG SER 74 HG SER 74 11.284 15.541 -5.801 542 H ALA 75 H ALA 75 7.980 14.230 -2.112 543 HA ALA 75 HA ALA 75 6.956 11.648 -3.046 544 1HB ALA 75 1HB ALA 75 6.545 11.458 -0.831 545 2HB ALA 75 2HB ALA 75 5.516 12.890 -0.853 546 3HB ALA 75 3HB ALA 75 7.258 13.058 -0.629 547 H ASN 76 H ASN 76 6.324 14.569 -4.227 548 HA ASN 76 HA ASN 76 3.404 14.576 -4.106 549 1HB ASN 76 2HB ASN 76 5.610 16.256 -5.242 550 2HB ASN 76 1HB ASN 76 3.974 16.478 -5.867 551 1HD2 ASN 76 1HD2 ASN 76 4.859 15.610 -2.506 552 2HD2 ASN 76 2HD2 ASN 76 4.217 17.018 -1.806 553 H SER 77 H SER 77 5.262 12.448 -5.502 554 HA SER 77 HA SER 77 3.818 12.499 -8.126 555 1HB SER 77 2HB SER 77 5.818 11.544 -9.083 556 2HB SER 77 1HB SER 77 6.331 12.907 -8.092 557 HG SER 77 HG SER 77 6.522 10.141 -7.602 558 H LYS 78 H LYS 78 4.174 9.966 -8.976 559 HA LYS 78 HA LYS 78 2.424 8.384 -7.352 560 1HB LYS 78 2HB LYS 78 4.314 7.879 -9.654 561 2HB LYS 78 1HB LYS 78 3.390 6.559 -8.936 562 1HG LYS 78 2HG LYS 78 1.593 7.169 -10.139 563 2HG LYS 78 1HG LYS 78 1.598 8.740 -9.338 564 1HD LYS 78 2HD LYS 78 2.176 9.685 -11.295 565 2HD LYS 78 1HD LYS 78 3.706 8.811 -11.222 566 1HE LYS 78 2HE LYS 78 2.854 6.992 -12.506 567 2HE LYS 78 1HE LYS 78 1.175 7.523 -12.284 568 1HZ LYS 78 1HZ LYS 78 2.003 9.696 -13.338 569 2HZ LYS 78 2HZ LYS 78 1.716 8.371 -14.360 570 3HZ LYS 78 3HZ LYS 78 3.304 8.769 -13.907 571 H VAL 79 H VAL 79 3.412 8.405 -5.211 572 HA VAL 79 HA VAL 79 6.105 7.422 -4.778 573 HB VAL 79 HB VAL 79 5.289 7.503 -2.396 574 1HG1 VAL 79 1HG1 VAL 79 5.451 9.799 -2.338 575 2HG1 VAL 79 2HG1 VAL 79 4.308 10.014 -3.664 576 3HG1 VAL 79 3HG1 VAL 79 5.971 9.536 -4.004 577 1HG2 VAL 79 1HG2 VAL 79 2.744 8.726 -3.353 578 2HG2 VAL 79 2HG2 VAL 79 3.072 7.836 -1.865 579 3HG2 VAL 79 3HG2 VAL 79 2.856 6.966 -3.384 580 H LEU 80 H LEU 80 6.264 5.444 -3.116 581 HA LEU 80 HA LEU 80 4.378 3.292 -4.026 582 1HB LEU 80 2HB LEU 80 7.032 3.597 -4.688 583 2HB LEU 80 1HB LEU 80 7.125 2.514 -3.297 584 HG LEU 80 HG LEU 80 5.122 1.988 -5.477 585 1HD1 LEU 80 1HD1 LEU 80 6.786 0.580 -6.616 586 2HD1 LEU 80 2HD1 LEU 80 8.021 1.091 -5.465 587 3HD1 LEU 80 3HD1 LEU 80 7.322 2.260 -6.585 588 1HD2 LEU 80 1HD2 LEU 80 5.738 0.800 -3.040 589 2HD2 LEU 80 2HD2 LEU 80 6.567 -0.225 -4.214 590 3HD2 LEU 80 3HD2 LEU 80 4.829 0.045 -4.350 591 H VAL 81 H VAL 81 3.369 2.289 -2.338 592 HA VAL 81 HA VAL 81 4.620 2.484 0.382 593 HB VAL 81 HB VAL 81 1.688 2.066 -0.138 594 1HG1 VAL 81 1HG1 VAL 81 1.784 3.732 1.911 595 2HG1 VAL 81 2HG1 VAL 81 3.451 3.167 2.024 596 3HG1 VAL 81 3HG1 VAL 81 2.120 2.016 2.145 597 1HG2 VAL 81 1HG2 VAL 81 1.598 4.670 -0.011 598 2HG2 VAL 81 2HG2 VAL 81 1.998 3.922 -1.557 599 3HG2 VAL 81 3HG2 VAL 81 3.277 4.597 -0.547 600 H GLU 82 H GLU 82 3.848 0.628 1.838 601 HA GLU 82 HA GLU 82 3.374 -1.904 0.314 602 1HB GLU 82 2HB GLU 82 5.839 -1.163 1.076 603 2HB GLU 82 1HB GLU 82 5.303 -1.879 2.596 604 1HG GLU 82 2HG GLU 82 5.310 -3.993 1.751 605 2HG GLU 82 1HG GLU 82 4.671 -3.473 0.192 606 H MET 83 H MET 83 1.901 -3.241 1.364 607 HA MET 83 HA MET 83 1.335 -2.709 4.256 608 1HB MET 83 2HB MET 83 -0.288 -2.176 1.903 609 2HB MET 83 1HB MET 83 -1.110 -3.283 3.002 610 1HG MET 83 2HG MET 83 -1.724 -1.118 3.760 611 2HG MET 83 1HG MET 83 -0.458 -1.640 4.872 612 1HE MET 83 1HE MET 83 -1.390 1.354 2.305 613 2HE MET 83 2HE MET 83 -1.212 -0.240 1.579 614 3HE MET 83 3HE MET 83 -0.035 1.020 1.219 615 H GLU 84 H GLU 84 0.578 -4.578 5.389 616 HA GLU 84 HA GLU 84 0.790 -7.126 3.880 617 1HB GLU 84 2HB GLU 84 1.222 -7.844 6.426 618 2HB GLU 84 1HB GLU 84 2.520 -7.235 5.404 619 1HG GLU 84 2HG GLU 84 2.287 -5.014 6.316 620 2HG GLU 84 1HG GLU 84 0.814 -5.465 7.176 621 HA PRO 85 HA PRO 85 -3.513 -6.668 5.632 622 1HB PRO 85 2HB PRO 85 -4.844 -7.013 3.266 623 2HB PRO 85 1HB PRO 85 -4.306 -5.423 3.847 624 1HG PRO 85 2HG PRO 85 -3.076 -7.209 1.808 625 2HG PRO 85 1HG PRO 85 -3.217 -5.444 1.826 626 1HD PRO 85 2HD PRO 85 -0.925 -6.785 2.460 627 2HD PRO 85 1HD PRO 85 -1.337 -5.178 3.097 628 HA PRO 86 HA PRO 86 -4.103 -11.024 5.682 629 1HB PRO 86 2HB PRO 86 -6.831 -11.235 5.839 630 2HB PRO 86 1HB PRO 86 -5.822 -10.696 7.197 631 1HG PRO 86 2HG PRO 86 -7.430 -9.080 5.276 632 2HG PRO 86 1HG PRO 86 -7.213 -8.871 7.022 633 1HD PRO 86 2HD PRO 86 -5.892 -7.371 5.181 634 2HD PRO 86 1HD PRO 86 -5.215 -7.767 6.777 635 H PHE 87 H PHE 87 -4.691 -12.800 4.303 636 HA PHE 87 HA PHE 87 -4.697 -12.392 1.521 637 1HB PHE 87 2HB PHE 87 -6.150 -14.730 2.707 638 2HB PHE 87 1HB PHE 87 -4.924 -14.704 1.441 639 HD1 PHE 87 1HD PHE 87 -5.371 -15.991 4.509 640 HD2 PHE 87 2HD PHE 87 -2.701 -13.266 2.538 641 HE1 PHE 87 1HE PHE 87 -3.627 -16.477 6.201 642 HE2 PHE 87 2HE PHE 87 -0.954 -13.752 4.229 643 HZ PHE 87 HZ PHE 87 -1.417 -15.361 6.061 644 H GLY 88 H GLY 88 -6.332 -12.149 -0.028 645 1HA GLY 88 2HA GLY 88 -8.729 -12.436 -0.639 646 2HA GLY 88 1HA GLY 88 -9.131 -11.951 1.009 647 H ASP 89 H ASP 89 -10.186 -10.602 -1.246 648 HA ASP 89 HA ASP 89 -8.812 -8.325 -2.156 649 1HB ASP 89 2HB ASP 89 -11.725 -8.690 -1.376 650 2HB ASP 89 1HB ASP 89 -11.117 -7.403 -2.420 651 H SER 90 H SER 90 -9.066 -6.032 -1.375 652 HA SER 90 HA SER 90 -9.560 -5.809 1.563 653 1HB SER 90 2HB SER 90 -7.252 -4.274 0.816 654 2HB SER 90 1HB SER 90 -7.353 -5.606 1.963 655 HG SER 90 HG SER 90 -6.917 -7.027 0.347 656 H TYR 91 H TYR 91 -10.583 -3.900 2.093 657 HA TYR 91 HA TYR 91 -11.117 -1.966 -0.106 658 1HB TYR 91 2HB TYR 91 -12.302 -2.687 2.565 659 2HB TYR 91 1HB TYR 91 -12.688 -1.126 1.838 660 HD1 TYR 91 1HD TYR 91 -11.886 -3.746 -0.508 661 HD2 TYR 91 2HD TYR 91 -15.084 -2.014 1.777 662 HE1 TYR 91 1HE TYR 91 -13.541 -4.845 -1.991 663 HE2 TYR 91 2HE TYR 91 -16.740 -3.113 0.294 664 HH TYR 91 HH TYR 91 -15.774 -5.474 -2.102 665 H ILE 92 H ILE 92 -9.483 -0.428 -0.223 666 HA ILE 92 HA ILE 92 -8.167 0.518 2.257 667 HB ILE 92 HB ILE 92 -7.815 1.011 -0.714 668 1HG1 ILE 92 2HG1 ILE 92 -5.483 -0.007 0.169 669 2HG1 ILE 92 1HG1 ILE 92 -6.561 -0.709 1.376 670 1HG2 ILE 92 1HG2 ILE 92 -5.826 2.319 -0.143 671 2HG2 ILE 92 2HG2 ILE 92 -6.143 2.091 1.577 672 3HG2 ILE 92 3HG2 ILE 92 -7.249 3.052 0.597 673 1HD1 ILE 92 1HD1 ILE 92 -7.853 -0.999 -1.131 674 2HD1 ILE 92 2HD1 ILE 92 -7.168 -2.273 -0.121 675 3HD1 ILE 92 3HD1 ILE 92 -6.179 -1.503 -1.363 676 H VAL 93 H VAL 93 -8.581 2.555 3.169 677 HA VAL 93 HA VAL 93 -10.545 4.288 1.700 678 HB VAL 93 HB VAL 93 -10.294 3.824 4.684 679 1HG1 VAL 93 1HG1 VAL 93 -11.464 5.792 4.591 680 2HG1 VAL 93 2HG1 VAL 93 -12.812 4.709 4.249 681 3HG1 VAL 93 3HG1 VAL 93 -11.980 5.526 2.926 682 1HG2 VAL 93 1HG2 VAL 93 -11.462 1.920 4.400 683 2HG2 VAL 93 2HG2 VAL 93 -11.374 2.134 2.651 684 3HG2 VAL 93 3HG2 VAL 93 -12.726 2.815 3.556 685 H VAL 94 H VAL 94 -9.311 6.034 1.026 686 HA VAL 94 HA VAL 94 -7.150 7.109 2.724 687 HB VAL 94 HB VAL 94 -8.381 8.010 0.093 688 1HG1 VAL 94 1HG1 VAL 94 -6.970 9.767 0.146 689 2HG1 VAL 94 2HG1 VAL 94 -5.607 8.722 0.548 690 3HG1 VAL 94 3HG1 VAL 94 -6.632 9.365 1.830 691 1HG2 VAL 94 1HG2 VAL 94 -5.774 6.968 -0.246 692 2HG2 VAL 94 2HG2 VAL 94 -7.289 6.243 -0.786 693 3HG2 VAL 94 3HG2 VAL 94 -6.623 5.823 0.792 694 H GLY 95 H GLY 95 -7.943 8.241 4.499 695 1HA GLY 95 2HA GLY 95 -10.405 9.840 4.215 696 2HA GLY 95 1HA GLY 95 -9.532 9.550 5.717 697 H MET 96 H MET 96 -10.336 12.090 5.252 698 HA MET 96 HA MET 96 -7.760 13.518 4.943 699 1HB MET 96 2HB MET 96 -8.996 15.092 3.311 700 2HB MET 96 1HB MET 96 -8.516 13.514 2.684 701 1HG MET 96 2HG MET 96 -11.148 13.490 3.982 702 2HG MET 96 1HG MET 96 -11.073 14.553 2.576 703 1HE MET 96 1HE MET 96 -8.767 12.776 0.640 704 2HE MET 96 2HE MET 96 -9.960 14.070 0.575 705 3HE MET 96 3HE MET 96 -10.219 12.596 -0.354 706 H GLY 97 H GLY 97 -10.279 12.975 6.821 707 1HA GLY 97 2HA GLY 97 -10.260 14.744 8.744 708 2HA GLY 97 1HA GLY 97 -10.858 15.823 7.482 709 H ASP 98 H ASP 98 -12.971 15.405 6.580 710 HA ASP 98 HA ASP 98 -14.749 13.939 8.471 711 1HB ASP 98 2HB ASP 98 -15.184 15.998 6.286 712 2HB ASP 98 1HB ASP 98 -16.497 15.271 7.212 713 H LYS 99 H LYS 99 -14.855 14.503 4.935 714 HA LYS 99 HA LYS 99 -16.111 11.916 4.486 715 1HB LYS 99 2HB LYS 99 -15.650 14.429 3.132 716 2HB LYS 99 1HB LYS 99 -15.246 13.083 2.064 717 1HG LYS 99 2HG LYS 99 -17.682 12.508 3.512 718 2HG LYS 99 1HG LYS 99 -17.825 14.053 2.673 719 1HD LYS 99 2HD LYS 99 -16.592 12.488 0.775 720 2HD LYS 99 1HD LYS 99 -17.660 11.329 1.570 721 1HE LYS 99 2HE LYS 99 -19.091 13.803 1.181 722 2HE LYS 99 1HE LYS 99 -18.394 13.271 -0.363 723 1HZ LYS 99 1HZ LYS 99 -19.525 11.204 1.354 724 2HZ LYS 99 2HZ LYS 99 -19.549 11.340 -0.339 725 3HZ LYS 99 3HZ LYS 99 -20.635 12.245 0.605 726 H GLN 100 H GLN 100 -15.139 10.161 3.287 727 HA GLN 100 HA GLN 100 -12.187 10.334 2.867 728 1HB GLN 100 2HB GLN 100 -12.559 7.800 3.887 729 2HB GLN 100 1HB GLN 100 -12.002 9.183 4.824 730 1HG GLN 100 2HG GLN 100 -13.886 8.108 5.966 731 2HG GLN 100 1HG GLN 100 -14.358 9.714 5.410 732 1HE2 GLN 100 1HE2 GLN 100 -14.025 6.923 3.234 733 2HE2 GLN 100 2HE2 GLN 100 -15.673 6.808 2.855 734 H ILE 101 H ILE 101 -11.429 8.937 1.206 735 HA ILE 101 HA ILE 101 -13.521 7.967 -0.654 736 HB ILE 101 HB ILE 101 -10.505 7.923 -0.950 737 1HG1 ILE 101 2HG1 ILE 101 -12.448 10.204 -1.446 738 2HG1 ILE 101 1HG1 ILE 101 -11.133 10.183 -0.269 739 1HG2 ILE 101 1HG2 ILE 101 -12.190 8.620 -3.241 740 2HG2 ILE 101 2HG2 ILE 101 -12.562 7.025 -2.585 741 3HG2 ILE 101 3HG2 ILE 101 -10.921 7.402 -3.112 742 1HD1 ILE 101 1HD1 ILE 101 -10.467 11.410 -2.302 743 2HD1 ILE 101 2HD1 ILE 101 -10.808 9.983 -3.278 744 3HD1 ILE 101 3HD1 ILE 101 -9.494 9.953 -2.102 745 H ASN 102 H ASN 102 -13.692 5.746 -1.259 746 HA ASN 102 HA ASN 102 -12.001 3.836 0.315 747 1HB ASN 102 2HB ASN 102 -13.963 2.646 0.951 748 2HB ASN 102 1HB ASN 102 -14.368 4.346 1.186 749 1HD2 ASN 102 1HD2 ASN 102 -15.548 1.513 -0.172 750 2HD2 ASN 102 2HD2 ASN 102 -16.613 2.186 -1.310 751 H HIS 103 H HIS 103 -11.156 2.226 -0.925 752 HA HIS 103 HA HIS 103 -12.302 1.785 -3.662 753 1HB HIS 103 2HB HIS 103 -9.586 2.211 -2.564 754 2HB HIS 103 1HB HIS 103 -9.705 0.916 -3.757 755 HD1 HIS 103 1HD HIS 103 -12.169 3.623 -4.171 756 HD2 HIS 103 2HD HIS 103 -8.337 2.774 -5.577 757 HE1 HIS 103 1HE HIS 103 -11.768 5.167 -6.135 758 H HIS 104 H HIS 104 -12.327 -0.443 -4.377 759 HA HIS 104 HA HIS 104 -12.125 -2.424 -2.136 760 1HB HIS 104 2HB HIS 104 -13.849 -3.636 -3.615 761 2HB HIS 104 1HB HIS 104 -14.393 -2.159 -2.819 762 HD1 HIS 104 1HD HIS 104 -14.592 0.001 -4.314 763 HD2 HIS 104 2HD HIS 104 -13.719 -3.484 -6.430 764 HE1 HIS 104 1HE HIS 104 -14.994 0.527 -6.760 765 H TRP 105 H TRP 105 -9.823 -2.765 -2.739 766 HA TRP 105 HA TRP 105 -8.909 -3.542 -5.307 767 1HB TRP 105 2HB TRP 105 -7.341 -3.005 -3.603 768 2HB TRP 105 1HB TRP 105 -8.073 -4.137 -2.466 769 HD1 TRP 105 HD TRP 105 -6.320 -5.952 -2.088 770 HE1 TRP 105 1HE TRP 105 -4.908 -7.482 -3.608 771 HE3 TRP 105 3HE TRP 105 -7.497 -3.990 -6.654 772 HZ2 TRP 105 2HZ TRP 105 -4.352 -7.829 -6.393 773 HZ3 TRP 105 3HZ TRP 105 -6.513 -4.938 -8.721 774 HH2 TRP 105 HH TRP 105 -4.943 -6.854 -8.597 775 H HIS 106 H HIS 106 -10.408 -5.021 -6.281 776 HA HIS 106 HA HIS 106 -10.482 -7.740 -5.010 777 1HB HIS 106 2HB HIS 106 -12.658 -6.771 -4.854 778 2HB HIS 106 1HB HIS 106 -12.561 -6.112 -6.486 779 HD1 HIS 106 1HD HIS 106 -13.865 -8.941 -4.658 780 HD2 HIS 106 2HD HIS 106 -12.399 -8.349 -8.516 781 HE1 HIS 106 1HE HIS 106 -14.678 -10.900 -6.042 782 H LYS 107 H LYS 107 -9.127 -9.000 -6.241 783 HA LYS 107 HA LYS 107 -8.974 -8.518 -9.182 784 1HB LYS 107 2HB LYS 107 -6.917 -9.882 -8.969 785 2HB LYS 107 1HB LYS 107 -6.907 -8.542 -7.822 786 1HG LYS 107 2HG LYS 107 -6.588 -10.046 -6.177 787 2HG LYS 107 1HG LYS 107 -8.217 -10.646 -6.492 788 1HD LYS 107 2HD LYS 107 -6.937 -12.581 -6.777 789 2HD LYS 107 1HD LYS 107 -7.054 -11.981 -8.431 790 1HE LYS 107 2HE LYS 107 -4.836 -11.271 -8.474 791 2HE LYS 107 1HE LYS 107 -4.766 -11.051 -6.714 792 1HZ LYS 107 1HZ LYS 107 -4.521 -13.502 -8.289 793 2HZ LYS 107 2HZ LYS 107 -5.340 -13.615 -6.804 794 3HZ LYS 107 3HZ LYS 107 -3.735 -13.057 -6.853 795 H ALA 108 H ALA 108 -10.561 -10.529 -6.970 796 HA ALA 108 HA ALA 108 -10.448 -13.110 -8.130 797 1HB ALA 108 1HB ALA 108 -12.036 -13.486 -6.544 798 2HB ALA 108 2HB ALA 108 -13.094 -12.232 -7.194 799 3HB ALA 108 3HB ALA 108 -11.786 -11.799 -6.093 800 H GLY 109 H GLY 109 -11.433 -14.017 -9.934 801 1HA GLY 109 2HA GLY 109 -13.118 -12.182 -11.594 802 2HA GLY 109 1HA GLY 109 -12.020 -13.378 -12.284 803 H SER 110 H SER 110 -13.857 -14.221 -9.455 804 HA SER 110 HA SER 110 -14.933 -16.607 -10.339 805 1HB SER 110 2HB SER 110 -16.011 -14.451 -8.515 806 2HB SER 110 1HB SER 110 -16.824 -16.003 -8.693 807 HG SER 110 HG SER 110 -14.317 -15.387 -7.597 808 H THR 111 H THR 111 -16.743 -13.504 -10.442 809 HA THR 111 HA THR 111 -18.644 -14.671 -12.385 810 HB THR 111 HB THR 111 -19.405 -13.316 -10.472 811 HG1 THR 111 1HG THR 111 -20.301 -11.514 -11.954 812 1HG2 THR 111 1HG2 THR 111 -18.546 -10.728 -11.430 813 2HG2 THR 111 2HG2 THR 111 -17.149 -11.760 -11.125 814 3HG2 THR 111 3HG2 THR 111 -18.317 -11.453 -9.840 Start of MODEL 13 1 1H ASP 1 1HT ASP 1 19.082 -2.772 15.716 2 2H ASP 1 2HT ASP 1 20.005 -4.142 15.321 3 3H ASP 1 3HT ASP 1 18.637 -4.294 16.318 4 HA ASP 1 HA ASP 1 18.683 -3.645 13.417 5 1HB ASP 1 2HB ASP 1 17.490 -5.891 15.078 6 2HB ASP 1 1HB ASP 1 17.485 -5.788 13.317 7 H LYS 2 H LYS 2 17.666 -1.658 15.126 8 HA LYS 2 HA LYS 2 14.736 -1.893 14.579 9 1HB LYS 2 2HB LYS 2 14.257 -1.122 16.830 10 2HB LYS 2 1HB LYS 2 15.350 -2.501 16.954 11 1HG LYS 2 2HG LYS 2 17.250 -1.061 17.303 12 2HG LYS 2 1HG LYS 2 16.298 0.376 16.929 13 1HD LYS 2 2HD LYS 2 15.465 0.493 19.027 14 2HD LYS 2 1HD LYS 2 15.106 -1.234 19.062 15 1HE LYS 2 2HE LYS 2 17.198 -1.789 19.934 16 2HE LYS 2 1HE LYS 2 17.972 -0.338 19.265 17 1HZ LYS 2 1HZ LYS 2 17.302 -0.429 21.779 18 2HZ LYS 2 2HZ LYS 2 15.768 -0.014 21.176 19 3HZ LYS 2 3HZ LYS 2 17.101 0.999 20.885 20 H LEU 3 H LEU 3 13.705 0.378 14.888 21 HA LEU 3 HA LEU 3 15.620 2.457 13.876 22 1HB LEU 3 2HB LEU 3 12.981 1.454 13.047 23 2HB LEU 3 1HB LEU 3 13.071 3.215 13.123 24 HG LEU 3 HG LEU 3 13.735 2.384 10.892 25 1HD1 LEU 3 1HD1 LEU 3 15.293 4.060 12.638 26 2HD1 LEU 3 2HD1 LEU 3 15.065 4.200 10.895 27 3HD1 LEU 3 3HD1 LEU 3 16.374 3.208 11.536 28 1HD2 LEU 3 1HD2 LEU 3 16.303 1.282 11.708 29 2HD2 LEU 3 2HD2 LEU 3 15.085 0.589 10.639 30 3HD2 LEU 3 3HD2 LEU 3 14.964 0.353 12.382 31 H ALA 4 H ALA 4 15.252 4.641 14.637 32 HA ALA 4 HA ALA 4 13.758 4.758 17.234 33 1HB ALA 4 1HB ALA 4 15.701 5.616 17.999 34 2HB ALA 4 2HB ALA 4 15.578 6.936 16.835 35 3HB ALA 4 3HB ALA 4 16.404 5.441 16.391 36 H LEU 5 H LEU 5 11.729 5.551 16.611 37 HA LEU 5 HA LEU 5 11.686 8.016 14.906 38 1HB LEU 5 2HB LEU 5 9.894 5.656 15.351 39 2HB LEU 5 1HB LEU 5 9.150 7.188 14.888 40 HG LEU 5 HG LEU 5 11.069 7.204 13.066 41 1HD1 LEU 5 1HD1 LEU 5 10.659 4.281 12.962 42 2HD1 LEU 5 2HD1 LEU 5 11.681 4.831 14.290 43 3HD1 LEU 5 3HD1 LEU 5 12.109 5.228 12.625 44 1HD2 LEU 5 1HD2 LEU 5 9.477 6.435 11.508 45 2HD2 LEU 5 2HD2 LEU 5 8.479 6.959 12.865 46 3HD2 LEU 5 3HD2 LEU 5 8.818 5.244 12.632 47 H LYS 6 H LYS 6 9.910 9.587 15.548 48 HA LYS 6 HA LYS 6 9.436 9.580 18.509 49 1HB LYS 6 2HB LYS 6 9.962 11.981 18.471 50 2HB LYS 6 1HB LYS 6 11.310 11.062 17.801 51 1HG LYS 6 2HG LYS 6 9.245 11.893 15.847 52 2HG LYS 6 1HG LYS 6 10.193 13.202 16.552 53 1HD LYS 6 2HD LYS 6 12.232 11.619 16.029 54 2HD LYS 6 1HD LYS 6 11.115 10.894 14.872 55 1HE LYS 6 2HE LYS 6 12.298 12.628 13.683 56 2HE LYS 6 1HE LYS 6 10.681 13.277 14.016 57 1HZ LYS 6 1HZ LYS 6 11.595 14.864 15.249 58 2HZ LYS 6 2HZ LYS 6 13.148 14.264 14.912 59 3HZ LYS 6 3HZ LYS 6 12.293 13.702 16.268 60 H GLY 7 H GLY 7 7.841 11.748 18.772 61 1HA GLY 7 2HA GLY 7 5.710 11.528 16.701 62 2HA GLY 7 1HA GLY 7 5.291 11.262 18.394 63 H THR 8 H THR 8 7.197 13.683 16.560 64 HA THR 8 HA THR 8 6.544 15.826 18.399 65 HB THR 8 HB THR 8 7.528 17.162 16.414 66 HG1 THR 8 1HG THR 8 8.159 16.045 14.705 67 1HG2 THR 8 1HG2 THR 8 9.188 14.844 17.429 68 2HG2 THR 8 2HG2 THR 8 8.797 16.258 18.408 69 3HG2 THR 8 3HG2 THR 8 9.762 16.439 16.943 70 H THR 9 H THR 9 5.265 17.762 17.772 71 HA THR 9 HA THR 9 2.624 17.353 17.075 72 HB THR 9 HB THR 9 2.984 19.823 16.100 73 HG1 THR 9 1HG THR 9 5.215 19.703 17.750 74 1HG2 THR 9 1HG2 THR 9 2.041 20.191 18.105 75 2HG2 THR 9 2HG2 THR 9 3.641 20.100 18.843 76 3HG2 THR 9 3HG2 THR 9 2.649 18.648 18.703 77 H TYR 10 H TYR 10 1.826 16.334 15.271 78 HA TYR 10 HA TYR 10 3.025 17.050 12.614 79 1HB TYR 10 2HB TYR 10 2.567 14.652 12.018 80 2HB TYR 10 1HB TYR 10 3.742 14.828 13.321 81 HD1 TYR 10 1HD TYR 10 3.405 13.708 15.352 82 HD2 TYR 10 2HD TYR 10 0.067 14.393 12.737 83 HE1 TYR 10 1HE TYR 10 1.962 12.348 16.839 84 HE2 TYR 10 2HE TYR 10 -1.377 13.032 14.226 85 HH TYR 10 HH TYR 10 -0.035 11.282 16.987 86 H GLY 11 H GLY 11 1.491 16.994 10.836 87 1HA GLY 11 2HA GLY 11 -1.338 17.317 11.741 88 2HA GLY 11 1HA GLY 11 -0.656 18.077 10.302 89 H MET 12 H MET 12 -2.691 15.675 11.203 90 HA MET 12 HA MET 12 -1.829 13.582 9.337 91 1HB MET 12 2HB MET 12 -4.107 14.120 11.224 92 2HB MET 12 1HB MET 12 -4.233 12.802 10.061 93 1HG MET 12 2HG MET 12 -1.664 12.546 11.151 94 2HG MET 12 1HG MET 12 -2.701 12.929 12.525 95 1HE MET 12 1HE MET 12 -2.041 10.980 9.485 96 2HE MET 12 2HE MET 12 -2.707 9.367 9.726 97 3HE MET 12 3HE MET 12 -1.301 9.879 10.654 98 H CYS 13 H CYS 13 -1.834 14.877 7.318 99 HA CYS 13 HA CYS 13 -4.552 14.989 6.134 100 1HB CYS 13 2HB CYS 13 -4.459 17.296 5.673 101 2HB CYS 13 1HB CYS 13 -3.779 17.190 7.293 102 H THR 14 H THR 14 -4.159 13.572 4.437 103 HA THR 14 HA THR 14 -2.312 14.441 2.335 104 HB THR 14 HB THR 14 -1.696 11.684 3.135 105 HG1 THR 14 1HG THR 14 -0.304 13.046 4.838 106 1HG2 THR 14 1HG2 THR 14 -0.187 14.209 2.465 107 2HG2 THR 14 2HG2 THR 14 -0.292 12.714 1.534 108 3HG2 THR 14 3HG2 THR 14 0.646 12.760 3.027 109 H GLU 15 H GLU 15 -5.213 13.722 2.735 110 HA GLU 15 HA GLU 15 -5.866 11.219 1.563 111 1HB GLU 15 2HB GLU 15 -8.018 12.361 1.083 112 2HB GLU 15 1HB GLU 15 -7.433 12.747 2.702 113 1HG GLU 15 2HG GLU 15 -7.383 14.937 2.197 114 2HG GLU 15 1HG GLU 15 -6.313 14.619 0.830 115 H LYS 16 H LYS 16 -4.293 13.913 0.163 116 HA LYS 16 HA LYS 16 -5.285 13.716 -2.545 117 1HB LYS 16 2HB LYS 16 -2.945 14.922 -1.098 118 2HB LYS 16 1HB LYS 16 -2.935 14.890 -2.861 119 1HG LYS 16 2HG LYS 16 -4.059 16.868 -2.609 120 2HG LYS 16 1HG LYS 16 -5.448 15.793 -2.445 121 1HD LYS 16 2HD LYS 16 -5.756 16.912 -0.480 122 2HD LYS 16 1HD LYS 16 -4.526 15.796 0.115 123 1HE LYS 16 2HE LYS 16 -2.996 17.464 0.355 124 2HE LYS 16 1HE LYS 16 -3.390 18.155 -1.232 125 1HZ LYS 16 1HZ LYS 16 -4.689 18.620 1.366 126 2HZ LYS 16 2HZ LYS 16 -5.614 18.745 -0.053 127 3HZ LYS 16 3HZ LYS 16 -4.255 19.741 0.169 128 H PHE 17 H PHE 17 -5.011 11.116 -2.139 129 HA PHE 17 HA PHE 17 -2.301 10.283 -3.100 130 1HB PHE 17 2HB PHE 17 -4.324 9.265 -1.275 131 2HB PHE 17 1HB PHE 17 -3.906 8.052 -2.485 132 HD1 PHE 17 1HD PHE 17 -2.034 10.702 -0.585 133 HD2 PHE 17 2HD PHE 17 -2.251 6.582 -1.782 134 HE1 PHE 17 1HE PHE 17 0.092 10.243 0.608 135 HE2 PHE 17 2HE PHE 17 -0.125 6.122 -0.589 136 HZ PHE 17 HZ PHE 17 1.046 7.954 0.605 137 H SER 18 H SER 18 -2.115 9.228 -5.097 138 HA SER 18 HA SER 18 -4.654 8.875 -6.665 139 1HB SER 18 2HB SER 18 -2.095 10.287 -7.193 140 2HB SER 18 1HB SER 18 -2.754 9.371 -8.544 141 HG SER 18 HG SER 18 -3.669 11.663 -7.323 142 H PHE 19 H PHE 19 -4.930 6.732 -7.130 143 HA PHE 19 HA PHE 19 -2.941 4.714 -6.726 144 1HB PHE 19 2HB PHE 19 -5.282 4.485 -8.615 145 2HB PHE 19 1HB PHE 19 -4.625 3.261 -7.530 146 HD1 PHE 19 1HD PHE 19 -4.460 4.339 -4.949 147 HD2 PHE 19 2HD PHE 19 -7.387 5.228 -7.964 148 HE1 PHE 19 1HE PHE 19 -6.061 5.039 -3.189 149 HE2 PHE 19 2HE PHE 19 -8.988 5.929 -6.204 150 HZ PHE 19 HZ PHE 19 -8.325 5.833 -3.816 151 H ALA 20 H ALA 20 -1.106 4.531 -7.952 152 HA ALA 20 HA ALA 20 -1.215 5.304 -10.837 153 1HB ALA 20 1HB ALA 20 1.412 4.685 -9.889 154 2HB ALA 20 2HB ALA 20 0.606 5.653 -8.655 155 3HB ALA 20 3HB ALA 20 0.755 6.267 -10.302 156 H LYS 21 H LYS 21 -0.619 2.608 -8.653 157 HA LYS 21 HA LYS 21 -0.588 0.771 -10.998 158 1HB LYS 21 2HB LYS 21 1.436 0.557 -8.763 159 2HB LYS 21 1HB LYS 21 1.484 -0.200 -10.355 160 1HG LYS 21 2HG LYS 21 1.528 2.219 -11.280 161 2HG LYS 21 1HG LYS 21 1.965 2.688 -9.638 162 1HD LYS 21 2HD LYS 21 3.790 0.868 -9.805 163 2HD LYS 21 1HD LYS 21 3.485 0.908 -11.541 164 1HE LYS 21 2HE LYS 21 3.909 3.523 -10.135 165 2HE LYS 21 1HE LYS 21 5.323 2.507 -10.475 166 1HZ LYS 21 1HZ LYS 21 4.457 2.269 -12.776 167 2HZ LYS 21 2HZ LYS 21 4.922 3.856 -12.387 168 3HZ LYS 21 3HZ LYS 21 3.277 3.434 -12.418 169 H ASN 22 H ASN 22 -1.275 -1.377 -10.434 170 HA ASN 22 HA ASN 22 -3.096 -1.546 -8.187 171 1HB ASN 22 2HB ASN 22 -2.346 -3.000 -10.576 172 2HB ASN 22 1HB ASN 22 -2.515 -4.113 -9.219 173 1HD2 ASN 22 1HD2 ASN 22 -4.559 -4.995 -9.950 174 2HD2 ASN 22 2HD2 ASN 22 -5.985 -4.074 -9.952 175 HA PRO 23 HA PRO 23 -0.458 -3.211 -5.102 176 1HB PRO 23 2HB PRO 23 -2.070 -5.076 -3.909 177 2HB PRO 23 1HB PRO 23 -2.307 -3.328 -3.712 178 1HG PRO 23 2HG PRO 23 -3.752 -5.247 -5.467 179 2HG PRO 23 1HG PRO 23 -4.373 -3.864 -4.553 180 1HD PRO 23 2HD PRO 23 -3.894 -3.813 -7.244 181 2HD PRO 23 1HD PRO 23 -3.844 -2.372 -6.204 182 H ALA 24 H ALA 24 1.216 -4.661 -5.319 183 HA ALA 24 HA ALA 24 0.631 -7.295 -6.638 184 1HB ALA 24 1HB ALA 24 3.063 -5.490 -6.864 185 2HB ALA 24 2HB ALA 24 1.816 -5.688 -8.095 186 3HB ALA 24 3HB ALA 24 2.867 -7.041 -7.679 187 H ASP 25 H ASP 25 1.901 -9.083 -5.857 188 HA ASP 25 HA ASP 25 2.720 -8.826 -3.039 189 1HB ASP 25 2HB ASP 25 1.344 -10.699 -3.932 190 2HB ASP 25 1HB ASP 25 2.693 -11.173 -4.965 191 H THR 26 H THR 26 4.855 -9.120 -2.292 192 HA THR 26 HA THR 26 6.991 -9.443 -4.366 193 HB THR 26 HB THR 26 7.771 -7.637 -2.254 194 HG1 THR 26 1HG THR 26 5.553 -7.209 -2.094 195 1HG2 THR 26 1HG2 THR 26 8.945 -7.355 -4.218 196 2HG2 THR 26 2HG2 THR 26 7.725 -6.100 -4.431 197 3HG2 THR 26 3HG2 THR 26 7.532 -7.660 -5.229 198 H GLY 27 H GLY 27 5.879 -11.352 -2.390 199 1HA GLY 27 2HA GLY 27 8.111 -12.687 -1.485 200 2HA GLY 27 1HA GLY 27 7.799 -11.521 -0.199 201 H HIS 28 H HIS 28 6.345 -12.112 1.342 202 HA HIS 28 HA HIS 28 4.421 -14.319 0.677 203 1HB HIS 28 2HB HIS 28 6.647 -14.474 2.289 204 2HB HIS 28 1HB HIS 28 5.381 -14.095 3.457 205 HD1 HIS 28 1HD HIS 28 6.816 -16.873 1.613 206 HD2 HIS 28 2HD HIS 28 3.056 -15.978 3.175 207 HE1 HIS 28 1HE HIS 28 5.543 -19.060 1.716 208 H GLY 29 H GLY 29 2.737 -12.699 0.381 209 1HA GLY 29 2HA GLY 29 0.775 -11.749 1.352 210 2HA GLY 29 1HA GLY 29 1.555 -11.820 2.933 211 H THR 30 H THR 30 3.909 -10.545 1.143 212 HA THR 30 HA THR 30 3.377 -7.817 2.067 213 HB THR 30 HB THR 30 5.645 -7.465 1.032 214 HG1 THR 30 1HG THR 30 4.999 -9.405 -0.451 215 1HG2 THR 30 1HG2 THR 30 6.745 -8.555 2.762 216 2HG2 THR 30 2HG2 THR 30 5.770 -10.015 2.599 217 3HG2 THR 30 3HG2 THR 30 5.086 -8.578 3.360 218 H VAL 31 H VAL 31 2.018 -6.525 0.861 219 HA VAL 31 HA VAL 31 2.001 -6.867 -2.091 220 HB VAL 31 HB VAL 31 0.056 -5.435 -0.265 221 1HG1 VAL 31 1HG1 VAL 31 -1.449 -5.521 -2.151 222 2HG1 VAL 31 2HG1 VAL 31 -0.321 -6.520 -3.069 223 3HG1 VAL 31 3HG1 VAL 31 0.074 -4.837 -2.719 224 1HG2 VAL 31 1HG2 VAL 31 0.082 -8.277 -1.325 225 2HG2 VAL 31 2HG2 VAL 31 -1.335 -7.514 -0.604 226 3HG2 VAL 31 3HG2 VAL 31 0.115 -7.775 0.365 227 H VAL 32 H VAL 32 2.515 -5.109 -3.421 228 HA VAL 32 HA VAL 32 3.527 -2.665 -2.026 229 HB VAL 32 HB VAL 32 4.724 -2.550 -4.383 230 1HG1 VAL 32 1HG1 VAL 32 5.916 -2.832 -2.280 231 2HG1 VAL 32 2HG1 VAL 32 6.547 -3.987 -3.452 232 3HG1 VAL 32 3HG1 VAL 32 5.431 -4.526 -2.198 233 1HG2 VAL 32 1HG2 VAL 32 4.950 -4.569 -5.546 234 2HG2 VAL 32 2HG2 VAL 32 3.252 -4.605 -5.068 235 3HG2 VAL 32 3HG2 VAL 32 4.443 -5.535 -4.159 236 H ILE 33 H ILE 33 2.791 -0.658 -2.732 237 HA ILE 33 HA ILE 33 0.962 -0.553 -5.092 238 HB ILE 33 HB ILE 33 -0.405 -0.912 -3.088 239 1HG1 ILE 33 2HG1 ILE 33 -1.111 1.838 -3.152 240 2HG1 ILE 33 1HG1 ILE 33 -0.515 1.431 -4.761 241 1HG2 ILE 33 1HG2 ILE 33 -0.006 1.482 -1.632 242 2HG2 ILE 33 2HG2 ILE 33 1.597 0.807 -1.922 243 3HG2 ILE 33 3HG2 ILE 33 0.365 -0.161 -1.111 244 1HD1 ILE 33 1HD1 ILE 33 -2.045 -0.749 -4.275 245 2HD1 ILE 33 2HD1 ILE 33 -2.664 0.703 -5.059 246 3HD1 ILE 33 3HD1 ILE 33 -2.928 0.453 -3.334 247 H GLU 34 H GLU 34 1.171 1.392 -6.221 248 HA GLU 34 HA GLU 34 2.983 3.453 -5.000 249 1HB GLU 34 2HB GLU 34 3.674 1.883 -7.002 250 2HB GLU 34 1HB GLU 34 2.688 2.994 -7.955 251 1HG GLU 34 2HG GLU 34 4.015 4.895 -7.168 252 2HG GLU 34 1HG GLU 34 4.969 3.826 -6.139 253 H LEU 35 H LEU 35 1.820 5.280 -4.577 254 HA LEU 35 HA LEU 35 -0.288 6.099 -6.549 255 1HB LEU 35 2HB LEU 35 -0.361 6.728 -3.599 256 2HB LEU 35 1HB LEU 35 -1.702 6.677 -4.744 257 HG LEU 35 HG LEU 35 -1.031 4.148 -4.985 258 1HD1 LEU 35 1HD1 LEU 35 -0.369 3.665 -2.360 259 2HD1 LEU 35 2HD1 LEU 35 0.574 5.113 -2.712 260 3HD1 LEU 35 3HD1 LEU 35 0.778 3.666 -3.699 261 1HD2 LEU 35 1HD2 LEU 35 -2.241 4.378 -2.353 262 2HD2 LEU 35 2HD2 LEU 35 -2.974 3.862 -3.871 263 3HD2 LEU 35 3HD2 LEU 35 -2.911 5.575 -3.459 264 H SER 36 H SER 36 -0.161 8.278 -7.172 265 HA SER 36 HA SER 36 2.230 9.748 -6.351 266 1HB SER 36 2HB SER 36 0.909 11.333 -8.118 267 2HB SER 36 1HB SER 36 1.958 10.007 -8.612 268 HG SER 36 HG SER 36 0.064 9.593 -9.603 269 H TYR 37 H TYR 37 2.165 11.320 -4.757 270 HA TYR 37 HA TYR 37 -0.495 12.063 -3.702 271 1HB TYR 37 2HB TYR 37 1.126 11.507 -2.056 272 2HB TYR 37 1HB TYR 37 2.385 12.437 -2.867 273 HD1 TYR 37 1HD TYR 37 -0.757 12.699 -0.906 274 HD2 TYR 37 2HD TYR 37 2.642 14.790 -2.495 275 HE1 TYR 37 1HE TYR 37 -1.343 14.686 0.457 276 HE2 TYR 37 2HE TYR 37 2.057 16.777 -1.131 277 HH TYR 37 HH TYR 37 -0.920 16.874 0.791 278 H SER 38 H SER 38 -1.337 13.525 -5.265 279 HA SER 38 HA SER 38 0.315 15.816 -6.095 280 1HB SER 38 2HB SER 38 -0.873 14.847 -7.878 281 2HB SER 38 1HB SER 38 -2.304 14.569 -6.890 282 HG SER 38 HG SER 38 -2.967 16.394 -7.683 283 H GLY 39 H GLY 39 0.185 16.478 -3.659 284 1HA GLY 39 2HA GLY 39 -2.299 18.096 -3.255 285 2HA GLY 39 1HA GLY 39 -1.444 17.320 -1.921 286 H SER 40 H SER 40 -1.927 20.260 -3.167 287 HA SER 40 HA SER 40 0.845 21.257 -3.179 288 1HB SER 40 2HB SER 40 -0.136 22.943 -4.336 289 2HB SER 40 1HB SER 40 -1.601 21.965 -4.306 290 HG SER 40 HG SER 40 -1.244 24.308 -3.215 291 H ASP 41 H ASP 41 -0.463 20.077 -0.670 292 HA ASP 41 HA ASP 41 -0.487 22.467 1.110 293 1HB ASP 41 2HB ASP 41 -1.712 19.817 0.996 294 2HB ASP 41 1HB ASP 41 -1.007 20.146 2.579 295 H GLY 42 H GLY 42 1.741 20.298 -0.083 296 1HA GLY 42 2HA GLY 42 4.035 20.172 0.589 297 2HA GLY 42 1HA GLY 42 3.586 20.844 2.159 298 HA PRO 43 HA PRO 43 4.197 16.312 2.692 299 1HB PRO 43 2HB PRO 43 5.732 16.535 4.947 300 2HB PRO 43 1HB PRO 43 6.409 16.577 3.306 301 1HG PRO 43 2HG PRO 43 5.841 18.810 5.180 302 2HG PRO 43 1HG PRO 43 7.181 18.602 4.044 303 1HD PRO 43 2HD PRO 43 5.024 20.219 3.576 304 2HD PRO 43 1HD PRO 43 6.002 19.473 2.293 305 H CYS 44 H CYS 44 3.145 15.011 4.292 306 HA CYS 44 HA CYS 44 2.060 16.114 6.757 307 1HB CYS 44 2HB CYS 44 0.761 17.045 4.653 308 2HB CYS 44 1HB CYS 44 0.010 15.452 4.662 309 H LYS 45 H LYS 45 0.724 14.430 7.886 310 HA LYS 45 HA LYS 45 1.725 11.741 7.345 311 1HB LYS 45 2HB LYS 45 -0.489 12.512 9.247 312 2HB LYS 45 1HB LYS 45 0.714 11.240 9.433 313 1HG LYS 45 2HG LYS 45 1.118 14.227 9.653 314 2HG LYS 45 1HG LYS 45 1.438 12.992 10.870 315 1HD LYS 45 2HD LYS 45 3.265 12.086 9.541 316 2HD LYS 45 1HD LYS 45 2.901 13.200 8.222 317 1HE LYS 45 2HE LYS 45 3.205 15.025 10.147 318 2HE LYS 45 1HE LYS 45 4.220 13.751 10.852 319 1HZ LYS 45 1HZ LYS 45 5.191 13.516 8.544 320 2HZ LYS 45 2HZ LYS 45 5.625 14.921 9.395 321 3HZ LYS 45 3HZ LYS 45 4.447 14.994 8.171 322 H ILE 46 H ILE 46 0.773 10.366 5.893 323 HA ILE 46 HA ILE 46 -1.889 10.939 4.797 324 HB ILE 46 HB ILE 46 -0.137 8.523 4.301 325 1HG1 ILE 46 2HG1 ILE 46 0.216 10.891 2.563 326 2HG1 ILE 46 1HG1 ILE 46 0.880 11.059 4.186 327 1HG2 ILE 46 1HG2 ILE 46 -1.547 10.036 2.156 328 2HG2 ILE 46 2HG2 ILE 46 -2.566 9.156 3.294 329 3HG2 ILE 46 3HG2 ILE 46 -1.345 8.295 2.357 330 1HD1 ILE 46 1HD1 ILE 46 1.828 8.637 3.704 331 2HD1 ILE 46 2HD1 ILE 46 2.672 10.060 3.095 332 3HD1 ILE 46 3HD1 ILE 46 1.629 9.127 2.022 333 HA PRO 47 HA PRO 47 -3.587 8.156 7.900 334 1HB PRO 47 2HB PRO 47 -6.147 9.079 7.679 335 2HB PRO 47 1HB PRO 47 -4.902 9.915 8.626 336 1HG PRO 47 2HG PRO 47 -6.017 10.579 5.971 337 2HG PRO 47 1HG PRO 47 -5.379 11.644 7.229 338 1HD PRO 47 2HD PRO 47 -4.045 10.862 4.904 339 2HD PRO 47 1HD PRO 47 -3.303 11.603 6.336 340 H ILE 48 H ILE 48 -3.612 6.118 6.901 341 HA ILE 48 HA ILE 48 -5.710 5.682 4.795 342 HB ILE 48 HB ILE 48 -2.922 4.555 5.160 343 1HG1 ILE 48 2HG1 ILE 48 -3.206 5.411 2.567 344 2HG1 ILE 48 1HG1 ILE 48 -4.217 6.567 3.434 345 1HG2 ILE 48 1HG2 ILE 48 -5.277 3.397 3.874 346 2HG2 ILE 48 2HG2 ILE 48 -3.714 2.658 4.219 347 3HG2 ILE 48 3HG2 ILE 48 -3.936 3.606 2.748 348 1HD1 ILE 48 1HD1 ILE 48 -1.728 6.075 4.852 349 2HD1 ILE 48 2HD1 ILE 48 -2.419 7.603 4.308 350 3HD1 ILE 48 3HD1 ILE 48 -1.428 6.645 3.210 351 H VAL 49 H VAL 49 -7.019 3.860 5.069 352 HA VAL 49 HA VAL 49 -6.547 2.231 7.547 353 HB VAL 49 HB VAL 49 -9.117 2.060 7.442 354 1HG1 VAL 49 1HG1 VAL 49 -9.136 3.724 8.981 355 2HG1 VAL 49 2HG1 VAL 49 -8.600 4.925 7.805 356 3HG1 VAL 49 3HG1 VAL 49 -7.417 3.902 8.622 357 1HG2 VAL 49 1HG2 VAL 49 -10.311 3.444 6.003 358 2HG2 VAL 49 2HG2 VAL 49 -8.934 3.031 4.982 359 3HG2 VAL 49 3HG2 VAL 49 -8.975 4.582 5.822 360 H SER 50 H SER 50 -5.525 0.465 6.488 361 HA SER 50 HA SER 50 -6.756 -0.719 4.084 362 1HB SER 50 2HB SER 50 -4.211 -0.600 5.353 363 2HB SER 50 1HB SER 50 -4.677 -2.297 5.289 364 HG SER 50 HG SER 50 -4.819 -0.504 3.092 365 H VAL 51 H VAL 51 -8.672 -1.789 4.607 366 HA VAL 51 HA VAL 51 -8.469 -3.920 6.711 367 HB VAL 51 HB VAL 51 -10.907 -3.350 7.140 368 1HG1 VAL 51 1HG1 VAL 51 -10.173 -0.955 8.098 369 2HG1 VAL 51 2HG1 VAL 51 -8.573 -1.575 7.691 370 3HG1 VAL 51 3HG1 VAL 51 -9.601 -2.461 8.817 371 1HG2 VAL 51 1HG2 VAL 51 -11.211 -2.202 4.920 372 2HG2 VAL 51 2HG2 VAL 51 -10.207 -0.881 5.521 373 3HG2 VAL 51 3HG2 VAL 51 -11.752 -1.235 6.293 374 H ALA 52 H ALA 52 -10.014 -5.729 6.311 375 HA ALA 52 HA ALA 52 -10.016 -6.598 3.556 376 1HB ALA 52 1HB ALA 52 -10.931 -8.567 4.480 377 2HB ALA 52 2HB ALA 52 -11.794 -7.681 5.738 378 3HB ALA 52 3HB ALA 52 -10.045 -7.879 5.842 379 H SER 53 H SER 53 -12.111 -7.120 2.339 380 HA SER 53 HA SER 53 -13.824 -4.798 2.242 381 1HB SER 53 2HB SER 53 -13.637 -5.998 0.238 382 2HB SER 53 1HB SER 53 -13.734 -7.558 1.050 383 HG SER 53 HG SER 53 -15.654 -6.713 -0.172 384 H LEU 54 H LEU 54 -14.902 -4.440 4.212 385 HA LEU 54 HA LEU 54 -17.301 -5.874 4.756 386 1HB LEU 54 2HB LEU 54 -15.090 -7.408 5.330 387 2HB LEU 54 1HB LEU 54 -15.454 -6.697 6.900 388 HG LEU 54 HG LEU 54 -16.686 -8.784 6.675 389 1HD1 LEU 54 1HD1 LEU 54 -18.641 -7.942 7.519 390 2HD1 LEU 54 2HD1 LEU 54 -18.877 -6.848 6.157 391 3HD1 LEU 54 3HD1 LEU 54 -17.757 -6.418 7.449 392 1HD2 LEU 54 1HD2 LEU 54 -17.899 -7.528 4.192 393 2HD2 LEU 54 2HD2 LEU 54 -18.315 -9.104 4.866 394 3HD2 LEU 54 3HD2 LEU 54 -16.710 -8.831 4.188 395 H ASN 55 H ASN 55 -14.720 -4.879 7.030 396 HA ASN 55 HA ASN 55 -16.689 -3.065 8.340 397 1HB ASN 55 2HB ASN 55 -14.008 -4.276 9.065 398 2HB ASN 55 1HB ASN 55 -14.800 -3.065 10.080 399 1HD2 ASN 55 1HD2 ASN 55 -14.475 -5.487 11.305 400 2HD2 ASN 55 2HD2 ASN 55 -15.935 -6.350 11.366 401 H ASP 56 H ASP 56 -16.586 -0.915 7.802 402 HA ASP 56 HA ASP 56 -14.037 0.147 6.651 403 1HB ASP 56 2HB ASP 56 -16.897 0.444 6.157 404 2HB ASP 56 1HB ASP 56 -16.104 2.009 6.339 405 H MET 57 H MET 57 -14.971 -0.193 9.617 406 HA MET 57 HA MET 57 -14.436 2.650 10.418 407 1HB MET 57 2HB MET 57 -16.589 0.779 11.026 408 2HB MET 57 1HB MET 57 -15.813 1.376 12.494 409 1HG MET 57 2HG MET 57 -16.349 3.419 10.416 410 2HG MET 57 1HG MET 57 -17.775 2.727 11.189 411 1HE MET 57 1HE MET 57 -18.219 4.880 14.016 412 2HE MET 57 2HE MET 57 -18.777 3.573 12.975 413 3HE MET 57 3HE MET 57 -18.421 5.152 12.279 414 H THR 58 H THR 58 -13.343 -0.556 10.502 415 HA THR 58 HA THR 58 -11.524 0.093 12.794 416 HB THR 58 HB THR 58 -11.839 -2.558 13.088 417 HG1 THR 58 1HG THR 58 -14.405 -1.755 12.260 418 1HG2 THR 58 1HG2 THR 58 -12.784 -1.906 15.029 419 2HG2 THR 58 2HG2 THR 58 -14.177 -1.215 14.197 420 3HG2 THR 58 3HG2 THR 58 -12.708 -0.259 14.400 421 HA PRO 59 HA PRO 59 -8.468 -1.138 9.856 422 1HB PRO 59 2HB PRO 59 -6.367 -1.401 11.591 423 2HB PRO 59 1HB PRO 59 -6.996 0.174 11.068 424 1HG PRO 59 2HG PRO 59 -7.461 -1.299 13.610 425 2HG PRO 59 1HG PRO 59 -7.250 0.436 13.331 426 1HD PRO 59 2HD PRO 59 -9.676 -0.751 13.747 427 2HD PRO 59 1HD PRO 59 -9.457 0.756 12.831 428 H VAL 60 H VAL 60 -7.878 -3.147 9.054 429 HA VAL 60 HA VAL 60 -7.571 -5.435 10.934 430 HB VAL 60 HB VAL 60 -9.595 -5.159 8.697 431 1HG1 VAL 60 1HG1 VAL 60 -8.867 -7.334 8.303 432 2HG1 VAL 60 2HG1 VAL 60 -10.096 -7.618 9.535 433 3HG1 VAL 60 3HG1 VAL 60 -8.390 -7.589 9.981 434 1HG2 VAL 60 1HG2 VAL 60 -11.009 -6.099 10.707 435 2HG2 VAL 60 2HG2 VAL 60 -10.584 -4.388 10.672 436 3HG2 VAL 60 3HG2 VAL 60 -9.667 -5.503 11.684 437 H GLY 61 H GLY 61 -6.209 -3.715 8.571 438 1HA GLY 61 2HA GLY 61 -5.165 -6.093 7.092 439 2HA GLY 61 1HA GLY 61 -5.166 -4.449 6.450 440 H ARG 62 H ARG 62 -2.765 -5.745 6.418 441 HA ARG 62 HA ARG 62 -1.289 -4.780 8.837 442 1HB ARG 62 2HB ARG 62 -0.784 -6.834 6.677 443 2HB ARG 62 1HB ARG 62 0.493 -6.314 7.778 444 1HG ARG 62 2HG ARG 62 -1.912 -6.899 9.267 445 2HG ARG 62 1HG ARG 62 -1.477 -8.281 8.260 446 1HD ARG 62 2HD ARG 62 0.970 -7.732 9.190 447 2HD ARG 62 1HD ARG 62 0.028 -7.052 10.533 448 HE ARG 62 HE ARG 62 -1.236 -9.346 10.400 449 1HH1 ARG 62 1HH1 ARG 62 1.311 -9.759 8.428 450 2HH1 ARG 62 2HH1 ARG 62 2.152 -10.936 9.381 451 1HH2 ARG 62 1HH2 ARG 62 0.180 -10.454 12.193 452 2HH2 ARG 62 2HH2 ARG 62 1.513 -11.328 11.513 453 H LEU 63 H LEU 63 0.448 -3.328 8.570 454 HA LEU 63 HA LEU 63 0.733 -2.135 5.831 455 1HB LEU 63 2HB LEU 63 0.250 -1.080 8.515 456 2HB LEU 63 1HB LEU 63 1.623 -0.297 7.732 457 HG LEU 63 HG LEU 63 -0.181 -0.395 5.676 458 1HD1 LEU 63 1HD1 LEU 63 -1.967 0.670 7.749 459 2HD1 LEU 63 2HD1 LEU 63 -1.715 -1.072 7.873 460 3HD1 LEU 63 3HD1 LEU 63 -2.336 -0.374 6.377 461 1HD2 LEU 63 1HD2 LEU 63 -0.118 1.834 7.724 462 2HD2 LEU 63 2HD2 LEU 63 -0.375 1.974 5.985 463 3HD2 LEU 63 3HD2 LEU 63 1.215 1.531 6.609 464 H VAL 64 H VAL 64 2.650 -2.924 4.999 465 HA VAL 64 HA VAL 64 4.961 -3.336 6.839 466 HB VAL 64 HB VAL 64 4.356 -4.141 3.977 467 1HG1 VAL 64 1HG1 VAL 64 6.872 -3.942 5.373 468 2HG1 VAL 64 2HG1 VAL 64 6.568 -4.484 3.723 469 3HG1 VAL 64 3HG1 VAL 64 6.507 -5.637 5.055 470 1HG2 VAL 64 1HG2 VAL 64 4.263 -5.498 6.661 471 2HG2 VAL 64 2HG2 VAL 64 4.577 -6.451 5.210 472 3HG2 VAL 64 3HG2 VAL 64 3.076 -5.536 5.357 473 H THR 65 H THR 65 4.276 -0.625 6.283 474 HA THR 65 HA THR 65 6.615 0.195 4.595 475 HB THR 65 HB THR 65 4.077 1.798 4.801 476 HG1 THR 65 1HG THR 65 3.272 -0.117 4.139 477 1HG2 THR 65 1HG2 THR 65 4.843 2.830 2.869 478 2HG2 THR 65 2HG2 THR 65 5.756 1.413 2.351 479 3HG2 THR 65 3HG2 THR 65 6.371 2.431 3.654 480 H VAL 66 H VAL 66 7.807 1.952 5.443 481 HA VAL 66 HA VAL 66 7.914 2.407 8.207 482 HB VAL 66 HB VAL 66 9.174 4.459 7.469 483 1HG1 VAL 66 1HG1 VAL 66 10.642 2.695 7.463 484 2HG1 VAL 66 2HG1 VAL 66 10.602 2.982 5.724 485 3HG1 VAL 66 3HG1 VAL 66 9.609 1.708 6.431 486 1HG2 VAL 66 1HG2 VAL 66 7.664 3.830 5.006 487 2HG2 VAL 66 2HG2 VAL 66 9.361 4.238 4.757 488 3HG2 VAL 66 3HG2 VAL 66 8.291 5.376 5.575 489 H ASN 67 H ASN 67 7.684 5.022 8.848 490 HA ASN 67 HA ASN 67 5.021 5.511 9.485 491 1HB ASN 67 2HB ASN 67 7.537 6.982 9.287 492 2HB ASN 67 1HB ASN 67 6.142 8.027 9.020 493 1HD2 ASN 67 1HD2 ASN 67 7.293 8.714 11.302 494 2HD2 ASN 67 2HD2 ASN 67 6.541 8.040 12.667 495 HA PRO 68 HA PRO 68 3.459 6.190 5.328 496 1HB PRO 68 2HB PRO 68 0.823 6.300 6.066 497 2HB PRO 68 1HB PRO 68 1.708 4.773 5.868 498 1HG PRO 68 2HG PRO 68 1.033 6.259 8.357 499 2HG PRO 68 1HG PRO 68 1.037 4.516 8.049 500 1HD PRO 68 2HD PRO 68 3.032 5.805 9.383 501 2HD PRO 68 1HD PRO 68 3.284 4.317 8.444 502 H PHE 69 H PHE 69 4.631 8.384 6.003 503 HA PHE 69 HA PHE 69 2.538 10.523 6.023 504 1HB PHE 69 2HB PHE 69 5.178 10.577 7.512 505 2HB PHE 69 1HB PHE 69 3.874 11.755 7.628 506 HD1 PHE 69 1HD PHE 69 5.312 9.626 9.666 507 HD2 PHE 69 2HD PHE 69 1.491 9.995 7.739 508 HE1 PHE 69 1HE PHE 69 4.267 8.296 11.480 509 HE2 PHE 69 2HE PHE 69 0.448 8.663 9.550 510 HZ PHE 69 HZ PHE 69 1.836 7.814 11.421 511 H VAL 70 H VAL 70 2.815 11.776 4.208 512 HA VAL 70 HA VAL 70 5.155 11.530 2.514 513 HB VAL 70 HB VAL 70 2.754 13.377 2.622 514 1HG1 VAL 70 1HG1 VAL 70 3.832 14.736 1.184 515 2HG1 VAL 70 2HG1 VAL 70 3.854 13.400 0.033 516 3HG1 VAL 70 3HG1 VAL 70 5.220 13.649 1.121 517 1HG2 VAL 70 1HG2 VAL 70 1.805 11.501 1.771 518 2HG2 VAL 70 2HG2 VAL 70 3.372 10.743 1.489 519 3HG2 VAL 70 3HG2 VAL 70 2.707 11.862 0.299 520 H ALA 71 H ALA 71 6.414 12.158 4.753 521 HA ALA 71 HA ALA 71 6.653 15.072 5.136 522 1HB ALA 71 1HB ALA 71 7.486 14.401 7.141 523 2HB ALA 71 2HB ALA 71 8.647 13.317 6.374 524 3HB ALA 71 3HB ALA 71 6.995 12.774 6.667 525 H THR 72 H THR 72 7.288 14.752 2.558 526 HA THR 72 HA THR 72 10.254 15.068 2.518 527 HB THR 72 HB THR 72 8.998 13.574 0.274 528 HG1 THR 72 1HG THR 72 9.646 12.075 2.519 529 1HG2 THR 72 1HG2 THR 72 11.151 13.015 -0.059 530 2HG2 THR 72 2HG2 THR 72 11.290 12.380 1.581 531 3HG2 THR 72 3HG2 THR 72 11.575 14.094 1.271 532 H SER 73 H SER 73 10.935 16.030 0.343 533 HA SER 73 HA SER 73 8.980 18.131 -0.435 534 1HB SER 73 2HB SER 73 11.391 18.583 -1.729 535 2HB SER 73 1HB SER 73 10.936 19.257 -0.167 536 HG SER 73 HG SER 73 12.935 18.115 -0.108 537 H SER 74 H SER 74 10.019 15.097 -1.511 538 HA SER 74 HA SER 74 9.253 15.751 -4.339 539 1HB SER 74 2HB SER 74 10.926 14.242 -5.039 540 2HB SER 74 1HB SER 74 11.670 15.045 -3.659 541 HG SER 74 HG SER 74 11.881 13.073 -2.950 542 H ALA 75 H ALA 75 7.860 14.554 -1.715 543 HA ALA 75 HA ALA 75 7.003 11.903 -2.592 544 1HB ALA 75 1HB ALA 75 6.240 13.875 -0.440 545 2HB ALA 75 2HB ALA 75 7.009 12.297 -0.262 546 3HB ALA 75 3HB ALA 75 5.301 12.403 -0.686 547 H ASN 76 H ASN 76 6.372 14.826 -3.912 548 HA ASN 76 HA ASN 76 3.478 14.628 -4.208 549 1HB ASN 76 2HB ASN 76 5.486 16.350 -5.686 550 2HB ASN 76 1HB ASN 76 3.768 16.679 -5.453 551 1HD2 ASN 76 1HD2 ASN 76 6.447 18.030 -4.466 552 2HD2 ASN 76 2HD2 ASN 76 6.138 18.302 -2.820 553 H SER 77 H SER 77 5.520 12.516 -5.235 554 HA SER 77 HA SER 77 4.536 12.490 -8.061 555 1HB SER 77 2HB SER 77 7.176 12.276 -6.834 556 2HB SER 77 1HB SER 77 6.828 10.902 -7.879 557 HG SER 77 HG SER 77 6.917 12.176 -9.554 558 H LYS 78 H LYS 78 5.042 9.950 -8.776 559 HA LYS 78 HA LYS 78 3.059 8.377 -7.441 560 1HB LYS 78 2HB LYS 78 5.090 8.114 -9.574 561 2HB LYS 78 1HB LYS 78 4.670 6.597 -8.780 562 1HG LYS 78 2HG LYS 78 2.914 6.562 -10.217 563 2HG LYS 78 1HG LYS 78 2.200 7.749 -9.124 564 1HD LYS 78 2HD LYS 78 2.293 9.330 -10.720 565 2HD LYS 78 1HD LYS 78 4.028 9.075 -10.912 566 1HE LYS 78 2HE LYS 78 3.656 8.077 -12.908 567 2HE LYS 78 1HE LYS 78 2.643 6.857 -12.109 568 1HZ LYS 78 1HZ LYS 78 1.830 9.507 -13.151 569 2HZ LYS 78 2HZ LYS 78 0.882 8.653 -12.029 570 3HZ LYS 78 3HZ LYS 78 1.201 7.986 -13.559 571 H VAL 79 H VAL 79 3.667 8.426 -5.172 572 HA VAL 79 HA VAL 79 6.260 7.498 -4.274 573 HB VAL 79 HB VAL 79 5.216 7.781 -2.099 574 1HG1 VAL 79 1HG1 VAL 79 4.629 10.065 -2.262 575 2HG1 VAL 79 2HG1 VAL 79 3.915 9.851 -3.861 576 3HG1 VAL 79 3HG1 VAL 79 5.666 9.791 -3.663 577 1HG2 VAL 79 1HG2 VAL 79 2.540 8.482 -2.945 578 2HG2 VAL 79 2HG2 VAL 79 3.042 7.291 -1.745 579 3HG2 VAL 79 3HG2 VAL 79 2.926 6.835 -3.444 580 H LEU 80 H LEU 80 6.171 5.533 -2.588 581 HA LEU 80 HA LEU 80 4.455 3.349 -3.725 582 1HB LEU 80 2HB LEU 80 7.115 3.675 -4.206 583 2HB LEU 80 1HB LEU 80 7.172 2.676 -2.753 584 HG LEU 80 HG LEU 80 5.368 1.958 -5.060 585 1HD1 LEU 80 1HD1 LEU 80 8.158 0.860 -4.685 586 2HD1 LEU 80 2HD1 LEU 80 7.839 2.238 -5.739 587 3HD1 LEU 80 3HD1 LEU 80 7.090 0.678 -6.077 588 1HD2 LEU 80 1HD2 LEU 80 5.741 0.949 -2.487 589 2HD2 LEU 80 2HD2 LEU 80 6.670 -0.149 -3.507 590 3HD2 LEU 80 3HD2 LEU 80 4.954 0.108 -3.823 591 H VAL 81 H VAL 81 3.570 1.965 -2.198 592 HA VAL 81 HA VAL 81 4.467 2.262 0.646 593 HB VAL 81 HB VAL 81 1.607 1.717 0.100 594 1HG1 VAL 81 1HG1 VAL 81 1.298 2.993 2.037 595 2HG1 VAL 81 2HG1 VAL 81 2.763 3.936 1.764 596 3HG1 VAL 81 3HG1 VAL 81 2.880 2.266 2.319 597 1HG2 VAL 81 1HG2 VAL 81 1.820 3.292 -1.663 598 2HG2 VAL 81 2HG2 VAL 81 2.977 4.269 -0.760 599 3HG2 VAL 81 3HG2 VAL 81 1.280 4.252 -0.286 600 H GLU 82 H GLU 82 3.515 0.348 1.978 601 HA GLU 82 HA GLU 82 3.345 -2.146 0.326 602 1HB GLU 82 2HB GLU 82 4.986 -1.733 2.848 603 2HB GLU 82 1HB GLU 82 4.953 -3.182 1.845 604 1HG GLU 82 2HG GLU 82 5.729 -1.688 -0.084 605 2HG GLU 82 1HG GLU 82 6.061 -0.460 1.138 606 H MET 83 H MET 83 1.890 -3.685 1.171 607 HA MET 83 HA MET 83 0.817 -3.323 3.912 608 1HB MET 83 2HB MET 83 -0.375 -2.271 1.525 609 2HB MET 83 1HB MET 83 -1.406 -3.562 2.138 610 1HG MET 83 2HG MET 83 -2.228 -1.906 3.480 611 2HG MET 83 1HG MET 83 -0.808 -2.276 4.458 612 1HE MET 83 1HE MET 83 -2.589 -0.098 2.019 613 2HE MET 83 2HE MET 83 -1.909 1.495 2.339 614 3HE MET 83 3HE MET 83 -2.712 0.611 3.634 615 H GLU 84 H GLU 84 0.029 -5.302 4.722 616 HA GLU 84 HA GLU 84 0.208 -7.623 2.883 617 1HB GLU 84 2HB GLU 84 0.784 -7.079 5.765 618 2HB GLU 84 1HB GLU 84 0.379 -8.722 5.281 619 1HG GLU 84 2HG GLU 84 2.253 -7.612 3.407 620 2HG GLU 84 1HG GLU 84 2.882 -7.428 5.044 621 HA PRO 85 HA PRO 85 -4.247 -7.139 4.222 622 1HB PRO 85 2HB PRO 85 -5.320 -7.180 1.704 623 2HB PRO 85 1HB PRO 85 -4.791 -5.685 2.505 624 1HG PRO 85 2HG PRO 85 -3.405 -7.317 0.437 625 2HG PRO 85 1HG PRO 85 -3.489 -5.558 0.617 626 1HD PRO 85 2HD PRO 85 -1.324 -7.039 1.356 627 2HD PRO 85 1HD PRO 85 -1.767 -5.498 2.120 628 HA PRO 86 HA PRO 86 -4.860 -11.478 3.793 629 1HB PRO 86 2HB PRO 86 -7.575 -11.620 4.117 630 2HB PRO 86 1HB PRO 86 -6.458 -11.289 5.456 631 1HG PRO 86 2HG PRO 86 -8.141 -9.402 3.886 632 2HG PRO 86 1HG PRO 86 -7.769 -9.411 5.617 633 1HD PRO 86 2HD PRO 86 -6.554 -7.749 3.829 634 2HD PRO 86 1HD PRO 86 -5.786 -8.306 5.332 635 H PHE 87 H PHE 87 -5.969 -13.090 2.366 636 HA PHE 87 HA PHE 87 -6.142 -12.155 -0.384 637 1HB PHE 87 2HB PHE 87 -7.013 -14.673 -0.537 638 2HB PHE 87 1HB PHE 87 -5.317 -14.319 -0.208 639 HD1 PHE 87 1HD PHE 87 -8.583 -14.897 1.527 640 HD2 PHE 87 2HD PHE 87 -4.301 -15.137 1.736 641 HE1 PHE 87 1HE PHE 87 -8.755 -16.051 3.712 642 HE2 PHE 87 2HE PHE 87 -4.470 -16.294 3.919 643 HZ PHE 87 HZ PHE 87 -6.698 -16.754 4.911 644 H GLY 88 H GLY 88 -7.984 -11.735 -1.590 645 1HA GLY 88 2HA GLY 88 -10.426 -12.312 -1.922 646 2HA GLY 88 1HA GLY 88 -10.608 -12.050 -0.186 647 H ASP 89 H ASP 89 -12.116 -10.324 -0.492 648 HA ASP 89 HA ASP 89 -11.224 -7.942 -2.013 649 1HB ASP 89 2HB ASP 89 -13.748 -8.768 -0.553 650 2HB ASP 89 1HB ASP 89 -13.559 -7.186 -1.312 651 H SER 90 H SER 90 -10.504 -6.069 -1.013 652 HA SER 90 HA SER 90 -10.647 -5.953 1.982 653 1HB SER 90 2HB SER 90 -8.304 -4.695 0.782 654 2HB SER 90 1HB SER 90 -8.385 -5.900 2.064 655 HG SER 90 HG SER 90 -8.310 -6.246 -0.733 656 H TYR 91 H TYR 91 -11.392 -3.985 2.741 657 HA TYR 91 HA TYR 91 -12.003 -1.879 0.753 658 1HB TYR 91 2HB TYR 91 -13.023 -2.878 3.279 659 2HB TYR 91 1HB TYR 91 -12.800 -1.129 3.351 660 HD1 TYR 91 1HD TYR 91 -13.453 0.023 0.926 661 HD2 TYR 91 2HD TYR 91 -15.148 -3.544 2.615 662 HE1 TYR 91 1HE TYR 91 -15.489 0.340 -0.451 663 HE2 TYR 91 2HE TYR 91 -17.185 -3.228 1.239 664 HH TYR 91 HH TYR 91 -17.659 -1.977 -1.083 665 H ILE 92 H ILE 92 -9.995 -0.853 0.353 666 HA ILE 92 HA ILE 92 -8.482 0.166 2.700 667 HB ILE 92 HB ILE 92 -6.833 0.663 0.784 668 1HG1 ILE 92 2HG1 ILE 92 -8.261 -1.369 -0.834 669 2HG1 ILE 92 1HG1 ILE 92 -8.981 0.241 -0.815 670 1HG2 ILE 92 1HG2 ILE 92 -6.005 -1.576 0.813 671 2HG2 ILE 92 2HG2 ILE 92 -7.621 -2.241 1.054 672 3HG2 ILE 92 3HG2 ILE 92 -6.830 -1.353 2.355 673 1HD1 ILE 92 1HD1 ILE 92 -6.255 0.736 -1.113 674 2HD1 ILE 92 2HD1 ILE 92 -7.467 0.804 -2.393 675 3HD1 ILE 92 3HD1 ILE 92 -6.543 -0.676 -2.130 676 H VAL 93 H VAL 93 -9.051 2.238 3.298 677 HA VAL 93 HA VAL 93 -9.909 4.133 1.131 678 HB VAL 93 HB VAL 93 -10.631 4.060 4.079 679 1HG1 VAL 93 1HG1 VAL 93 -11.143 5.936 1.844 680 2HG1 VAL 93 2HG1 VAL 93 -11.128 6.233 3.583 681 3HG1 VAL 93 3HG1 VAL 93 -12.551 5.523 2.821 682 1HG2 VAL 93 1HG2 VAL 93 -11.856 2.267 3.323 683 2HG2 VAL 93 2HG2 VAL 93 -11.804 2.808 1.645 684 3HG2 VAL 93 3HG2 VAL 93 -12.938 3.548 2.775 685 H VAL 94 H VAL 94 -8.651 5.940 0.897 686 HA VAL 94 HA VAL 94 -6.567 6.481 2.977 687 HB VAL 94 HB VAL 94 -6.743 7.426 0.100 688 1HG1 VAL 94 1HG1 VAL 94 -5.145 8.363 2.053 689 2HG1 VAL 94 2HG1 VAL 94 -4.605 8.223 0.380 690 3HG1 VAL 94 3HG1 VAL 94 -4.180 6.975 1.550 691 1HG2 VAL 94 1HG2 VAL 94 -4.823 5.463 0.156 692 2HG2 VAL 94 2HG2 VAL 94 -6.478 5.222 -0.403 693 3HG2 VAL 94 3HG2 VAL 94 -6.037 4.804 1.253 694 H GLY 95 H GLY 95 -7.755 7.864 4.382 695 1HA GLY 95 2HA GLY 95 -8.208 10.580 3.345 696 2HA GLY 95 1HA GLY 95 -9.653 9.762 3.941 697 H MET 96 H MET 96 -8.769 12.083 5.195 698 HA MET 96 HA MET 96 -7.420 11.124 7.689 699 1HB MET 96 2HB MET 96 -6.898 13.496 8.001 700 2HB MET 96 1HB MET 96 -6.448 13.015 6.365 701 1HG MET 96 2HG MET 96 -8.469 13.983 5.453 702 2HG MET 96 1HG MET 96 -9.099 14.301 7.069 703 1HE MET 96 1HE MET 96 -6.012 15.036 4.673 704 2HE MET 96 2HE MET 96 -6.347 16.759 4.513 705 3HE MET 96 3HE MET 96 -7.597 15.583 4.111 706 H GLY 97 H GLY 97 -10.320 12.738 6.445 707 1HA GLY 97 2HA GLY 97 -12.010 11.865 8.540 708 2HA GLY 97 1HA GLY 97 -11.443 13.479 8.970 709 H ASP 98 H ASP 98 -11.556 15.039 6.930 710 HA ASP 98 HA ASP 98 -14.322 15.375 6.270 711 1HB ASP 98 2HB ASP 98 -13.252 17.034 4.596 712 2HB ASP 98 1HB ASP 98 -12.893 17.273 6.306 713 H LYS 99 H LYS 99 -12.525 15.715 3.402 714 HA LYS 99 HA LYS 99 -14.141 13.720 2.041 715 1HB LYS 99 2HB LYS 99 -12.080 15.788 1.358 716 2HB LYS 99 1HB LYS 99 -12.496 14.573 0.150 717 1HG LYS 99 2HG LYS 99 -14.596 16.199 1.596 718 2HG LYS 99 1HG LYS 99 -13.864 16.734 0.083 719 1HD LYS 99 2HD LYS 99 -14.845 15.038 -1.154 720 2HD LYS 99 1HD LYS 99 -14.949 13.949 0.229 721 1HE LYS 99 2HE LYS 99 -16.927 14.892 0.997 722 2HE LYS 99 1HE LYS 99 -16.557 16.482 0.298 723 1HZ LYS 99 1HZ LYS 99 -17.160 15.816 -1.792 724 2HZ LYS 99 2HZ LYS 99 -18.249 14.888 -0.876 725 3HZ LYS 99 3HZ LYS 99 -16.837 14.176 -1.497 726 H GLN 100 H GLN 100 -13.557 11.593 1.859 727 HA GLN 100 HA GLN 100 -10.638 10.924 1.873 728 1HB GLN 100 2HB GLN 100 -11.462 8.842 3.173 729 2HB GLN 100 1HB GLN 100 -11.411 10.373 4.047 730 1HG GLN 100 2HG GLN 100 -13.539 9.316 4.513 731 2HG GLN 100 1HG GLN 100 -13.837 10.703 3.464 732 1HE2 GLN 100 1HE2 GLN 100 -14.967 10.281 1.557 733 2HE2 GLN 100 2HE2 GLN 100 -15.183 8.740 0.886 734 H ILE 101 H ILE 101 -10.090 9.102 0.567 735 HA ILE 101 HA ILE 101 -12.144 8.409 -1.481 736 HB ILE 101 HB ILE 101 -9.117 8.218 -1.377 737 1HG1 ILE 101 2HG1 ILE 101 -10.741 9.899 -3.270 738 2HG1 ILE 101 1HG1 ILE 101 -10.440 10.477 -1.631 739 1HG2 ILE 101 1HG2 ILE 101 -9.851 6.434 -2.786 740 2HG2 ILE 101 2HG2 ILE 101 -9.425 7.756 -3.874 741 3HG2 ILE 101 3HG2 ILE 101 -11.118 7.429 -3.505 742 1HD1 ILE 101 1HD1 ILE 101 -8.283 10.962 -2.096 743 2HD1 ILE 101 2HD1 ILE 101 -8.712 10.753 -3.793 744 3HD1 ILE 101 3HD1 ILE 101 -8.028 9.405 -2.884 745 H ASN 102 H ASN 102 -13.232 6.570 -0.787 746 HA ASN 102 HA ASN 102 -11.694 4.389 0.530 747 1HB ASN 102 2HB ASN 102 -13.901 3.577 1.131 748 2HB ASN 102 1HB ASN 102 -13.864 5.317 1.424 749 1HD2 ASN 102 1HD2 ASN 102 -15.460 2.807 -0.349 750 2HD2 ASN 102 2HD2 ASN 102 -16.455 3.811 -1.290 751 H HIS 103 H HIS 103 -11.136 2.567 -0.599 752 HA HIS 103 HA HIS 103 -12.493 2.064 -3.228 753 1HB HIS 103 2HB HIS 103 -9.662 2.394 -2.430 754 2HB HIS 103 1HB HIS 103 -9.974 1.039 -3.514 755 HD1 HIS 103 1HD HIS 103 -12.154 4.062 -3.715 756 HD2 HIS 103 2HD HIS 103 -8.860 2.493 -5.731 757 HE1 HIS 103 1HE HIS 103 -11.920 5.398 -5.852 758 H HIS 104 H HIS 104 -12.461 -0.242 -3.866 759 HA HIS 104 HA HIS 104 -12.238 -2.088 -1.509 760 1HB HIS 104 2HB HIS 104 -14.141 -3.293 -2.758 761 2HB HIS 104 1HB HIS 104 -14.547 -1.751 -2.004 762 HD1 HIS 104 1HD HIS 104 -14.263 -3.436 -5.299 763 HD2 HIS 104 2HD HIS 104 -14.782 0.451 -3.884 764 HE1 HIS 104 1HE HIS 104 -15.001 -2.045 -7.282 765 H TRP 105 H TRP 105 -10.045 -2.648 -2.239 766 HA TRP 105 HA TRP 105 -9.246 -3.460 -4.801 767 1HB TRP 105 2HB TRP 105 -7.656 -3.235 -3.038 768 2HB TRP 105 1HB TRP 105 -8.530 -4.368 -2.006 769 HD1 TRP 105 HD TRP 105 -6.351 -5.907 -1.813 770 HE1 TRP 105 1HE TRP 105 -5.343 -7.642 -3.433 771 HE3 TRP 105 3HE TRP 105 -8.775 -4.613 -6.121 772 HZ2 TRP 105 2HZ TRP 105 -5.538 -8.382 -6.187 773 HZ3 TRP 105 3HZ TRP 105 -8.344 -5.848 -8.224 774 HH2 TRP 105 HH TRP 105 -6.729 -7.729 -8.263 775 H HIS 106 H HIS 106 -10.753 -4.720 -5.954 776 HA HIS 106 HA HIS 106 -11.660 -7.282 -4.710 777 1HB HIS 106 2HB HIS 106 -13.225 -5.512 -5.713 778 2HB HIS 106 1HB HIS 106 -12.577 -5.980 -7.286 779 HD1 HIS 106 1HD HIS 106 -12.546 -8.929 -5.277 780 HD2 HIS 106 2HD HIS 106 -15.517 -6.889 -7.372 781 HE1 HIS 106 1HE HIS 106 -14.444 -10.572 -5.610 782 H LYS 107 H LYS 107 -10.100 -8.836 -5.142 783 HA LYS 107 HA LYS 107 -8.575 -8.847 -7.646 784 1HB LYS 107 2HB LYS 107 -7.537 -10.816 -6.606 785 2HB LYS 107 1HB LYS 107 -7.685 -9.522 -5.418 786 1HG LYS 107 2HG LYS 107 -9.347 -10.604 -4.236 787 2HG LYS 107 1HG LYS 107 -9.952 -11.452 -5.659 788 1HD LYS 107 2HD LYS 107 -7.192 -12.168 -4.924 789 2HD LYS 107 1HD LYS 107 -8.395 -12.600 -3.708 790 1HE LYS 107 2HE LYS 107 -8.438 -14.489 -5.105 791 2HE LYS 107 1HE LYS 107 -9.734 -13.507 -5.816 792 1HZ LYS 107 1HZ LYS 107 -8.229 -12.603 -7.398 793 2HZ LYS 107 2HZ LYS 107 -8.037 -14.290 -7.448 794 3HZ LYS 107 3HZ LYS 107 -6.890 -13.325 -6.646 795 H ALA 108 H ALA 108 -11.635 -9.991 -6.680 796 HA ALA 108 HA ALA 108 -11.643 -12.024 -8.888 797 1HB ALA 108 1HB ALA 108 -13.794 -12.596 -7.288 798 2HB ALA 108 2HB ALA 108 -12.660 -11.931 -6.114 799 3HB ALA 108 3HB ALA 108 -12.200 -13.324 -7.093 800 H GLY 109 H GLY 109 -14.230 -12.341 -9.420 801 1HA GLY 109 2HA GLY 109 -15.675 -9.790 -9.503 802 2HA GLY 109 1HA GLY 109 -15.086 -10.340 -11.073 803 H SER 110 H SER 110 -15.719 -12.636 -11.663 804 HA SER 110 HA SER 110 -18.588 -13.022 -11.038 805 1HB SER 110 2HB SER 110 -17.140 -14.865 -12.847 806 2HB SER 110 1HB SER 110 -18.631 -13.968 -13.120 807 HG SER 110 HG SER 110 -17.424 -12.143 -13.544 808 H THR 111 H THR 111 -19.387 -14.861 -9.976 809 HA THR 111 HA THR 111 -17.806 -17.223 -9.431 810 HB THR 111 HB THR 111 -16.572 -15.753 -7.985 811 HG1 THR 111 1HG THR 111 -17.743 -17.798 -7.118 812 1HG2 THR 111 1HG2 THR 111 -17.823 -13.817 -7.718 813 2HG2 THR 111 2HG2 THR 111 -18.032 -14.561 -6.133 814 3HG2 THR 111 3HG2 THR 111 -19.303 -14.702 -7.348 Start of MODEL 14 1 1H ASP 1 1HT ASP 1 16.249 4.841 8.223 2 2H ASP 1 2HT ASP 1 17.083 4.957 6.748 3 3H ASP 1 3HT ASP 1 15.802 6.020 7.090 4 HA ASP 1 HA ASP 1 18.515 5.978 8.285 5 1HB ASP 1 2HB ASP 1 17.015 7.422 6.280 6 2HB ASP 1 1HB ASP 1 17.515 8.526 7.562 7 H LYS 2 H LYS 2 15.161 6.396 8.963 8 HA LYS 2 HA LYS 2 15.858 7.583 11.622 9 1HB LYS 2 2HB LYS 2 13.713 8.943 11.290 10 2HB LYS 2 1HB LYS 2 15.078 9.406 10.273 11 1HG LYS 2 2HG LYS 2 14.177 8.126 8.404 12 2HG LYS 2 1HG LYS 2 12.862 7.522 9.413 13 1HD LYS 2 2HD LYS 2 11.850 9.660 9.572 14 2HD LYS 2 1HD LYS 2 13.302 10.481 9.000 15 1HE LYS 2 2HE LYS 2 11.570 8.615 7.334 16 2HE LYS 2 1HE LYS 2 11.624 10.384 7.192 17 1HZ LYS 2 1HZ LYS 2 13.661 8.403 6.486 18 2HZ LYS 2 2HZ LYS 2 14.194 9.897 7.097 19 3HZ LYS 2 3HZ LYS 2 13.236 9.841 5.695 20 H LEU 3 H LEU 3 14.389 6.942 13.315 21 HA LEU 3 HA LEU 3 12.750 4.533 12.632 22 1HB LEU 3 2HB LEU 3 13.057 4.086 15.095 23 2HB LEU 3 1HB LEU 3 14.574 4.172 14.199 24 HG LEU 3 HG LEU 3 13.747 6.803 15.121 25 1HD1 LEU 3 1HD1 LEU 3 14.008 6.441 17.509 26 2HD1 LEU 3 2HD1 LEU 3 14.306 4.721 17.255 27 3HD1 LEU 3 3HD1 LEU 3 12.711 5.397 16.925 28 1HD2 LEU 3 1HD2 LEU 3 16.024 6.966 15.698 29 2HD2 LEU 3 2HD2 LEU 3 16.042 5.820 14.357 30 3HD2 LEU 3 3HD2 LEU 3 16.163 5.237 16.016 31 H ALA 4 H ALA 4 10.723 5.462 12.144 32 HA ALA 4 HA ALA 4 9.520 7.232 14.245 33 1HB ALA 4 1HB ALA 4 8.842 8.498 12.498 34 2HB ALA 4 2HB ALA 4 8.112 7.099 11.711 35 3HB ALA 4 3HB ALA 4 9.817 7.465 11.453 36 H LEU 5 H LEU 5 7.725 6.465 15.308 37 HA LEU 5 HA LEU 5 6.558 3.872 14.364 38 1HB LEU 5 2HB LEU 5 7.381 5.028 16.941 39 2HB LEU 5 1HB LEU 5 5.786 4.278 16.990 40 HG LEU 5 HG LEU 5 7.453 2.589 17.519 41 1HD1 LEU 5 1HD1 LEU 5 5.484 2.245 15.749 42 2HD1 LEU 5 2HD1 LEU 5 6.630 0.953 16.109 43 3HD1 LEU 5 3HD1 LEU 5 6.843 1.944 14.666 44 1HD2 LEU 5 1HD2 LEU 5 9.511 3.102 16.659 45 2HD2 LEU 5 2HD2 LEU 5 8.829 3.866 15.223 46 3HD2 LEU 5 3HD2 LEU 5 8.966 2.109 15.306 47 H LYS 6 H LYS 6 4.155 3.678 15.031 48 HA LYS 6 HA LYS 6 2.793 6.218 14.274 49 1HB LYS 6 2HB LYS 6 2.244 4.397 12.854 50 2HB LYS 6 1HB LYS 6 2.108 3.276 14.209 51 1HG LYS 6 2HG LYS 6 0.048 4.190 14.913 52 2HG LYS 6 1HG LYS 6 0.285 5.668 13.980 53 1HD LYS 6 2HD LYS 6 -0.895 4.730 12.309 54 2HD LYS 6 1HD LYS 6 0.411 3.560 12.112 55 1HE LYS 6 2HE LYS 6 -0.854 2.462 14.245 56 2HE LYS 6 1HE LYS 6 -2.233 3.225 13.427 57 1HZ LYS 6 1HZ LYS 6 -1.462 0.899 12.649 58 2HZ LYS 6 2HZ LYS 6 -0.215 1.748 11.868 59 3HZ LYS 6 3HZ LYS 6 -1.837 2.071 11.483 60 H GLY 7 H GLY 7 1.223 7.140 15.621 61 1HA GLY 7 2HA GLY 7 -0.426 6.689 17.498 62 2HA GLY 7 1HA GLY 7 0.910 5.877 18.316 63 H THR 8 H THR 8 2.943 7.777 17.559 64 HA THR 8 HA THR 8 2.022 10.250 18.980 65 HB THR 8 HB THR 8 4.416 10.062 20.019 66 HG1 THR 8 1HG THR 8 4.690 7.603 20.221 67 1HG2 THR 8 1HG2 THR 8 3.377 9.316 21.898 68 2HG2 THR 8 2HG2 THR 8 2.776 7.860 21.104 69 3HG2 THR 8 3HG2 THR 8 1.922 9.391 20.905 70 H THR 9 H THR 9 2.092 11.577 17.120 71 HA THR 9 HA THR 9 4.691 12.508 16.249 72 HB THR 9 HB THR 9 4.656 10.355 15.090 73 HG1 THR 9 1HG THR 9 4.366 11.346 12.838 74 1HG2 THR 9 1HG2 THR 9 2.489 9.622 14.850 75 2HG2 THR 9 2HG2 THR 9 2.725 10.293 13.235 76 3HG2 THR 9 3HG2 THR 9 1.877 11.231 14.465 77 H TYR 10 H TYR 10 4.399 14.091 14.357 78 HA TYR 10 HA TYR 10 2.495 16.064 14.854 79 1HB TYR 10 2HB TYR 10 4.333 15.264 12.722 80 2HB TYR 10 1HB TYR 10 2.939 16.150 12.104 81 HD1 TYR 10 1HD TYR 10 4.169 18.168 11.530 82 HD2 TYR 10 2HD TYR 10 4.241 16.600 15.528 83 HE1 TYR 10 1HE TYR 10 5.154 20.292 12.346 84 HE2 TYR 10 2HE TYR 10 5.226 18.724 16.344 85 HH TYR 10 HH TYR 10 5.237 21.169 15.548 86 H GLY 11 H GLY 11 0.774 16.700 13.028 87 1HA GLY 11 2HA GLY 11 -1.288 14.674 13.127 88 2HA GLY 11 1HA GLY 11 -1.397 16.208 12.262 89 H MET 12 H MET 12 -2.441 13.994 11.033 90 HA MET 12 HA MET 12 -0.372 13.185 9.021 91 1HB MET 12 2HB MET 12 -1.735 11.206 8.736 92 2HB MET 12 1HB MET 12 -1.548 11.466 10.470 93 1HG MET 12 2HG MET 12 -3.751 12.788 10.340 94 2HG MET 12 1HG MET 12 -3.953 12.066 8.743 95 1HE MET 12 1HE MET 12 -4.860 12.187 11.919 96 2HE MET 12 2HE MET 12 -5.268 10.603 12.572 97 3HE MET 12 3HE MET 12 -6.216 11.272 11.247 98 H CYS 13 H CYS 13 -0.636 14.028 6.974 99 HA CYS 13 HA CYS 13 -3.380 14.714 6.054 100 1HB CYS 13 2HB CYS 13 -1.483 16.797 5.363 101 2HB CYS 13 1HB CYS 13 -3.019 16.936 6.213 102 H THR 14 H THR 14 -3.386 13.362 4.278 103 HA THR 14 HA THR 14 -1.672 14.064 2.014 104 HB THR 14 HB THR 14 -1.489 11.183 2.705 105 HG1 THR 14 1HG THR 14 0.102 13.087 4.058 106 1HG2 THR 14 1HG2 THR 14 0.939 12.734 2.185 107 2HG2 THR 14 2HG2 THR 14 -0.287 12.936 0.931 108 3HG2 THR 14 3HG2 THR 14 0.303 11.322 1.335 109 H GLU 15 H GLU 15 -4.584 13.722 2.861 110 HA GLU 15 HA GLU 15 -5.879 11.527 1.716 111 1HB GLU 15 2HB GLU 15 -7.088 13.204 2.923 112 2HB GLU 15 1HB GLU 15 -6.541 14.479 1.834 113 1HG GLU 15 2HG GLU 15 -8.021 13.879 0.160 114 2HG GLU 15 1HG GLU 15 -8.069 12.190 0.665 115 H LYS 16 H LYS 16 -4.055 13.998 0.097 116 HA LYS 16 HA LYS 16 -5.324 13.730 -2.509 117 1HB LYS 16 2HB LYS 16 -2.627 14.794 -1.609 118 2HB LYS 16 1HB LYS 16 -3.346 15.070 -3.197 119 1HG LYS 16 2HG LYS 16 -4.992 15.744 -0.799 120 2HG LYS 16 1HG LYS 16 -3.656 16.822 -1.206 121 1HD LYS 16 2HD LYS 16 -4.946 16.235 -3.647 122 2HD LYS 16 1HD LYS 16 -6.232 16.571 -2.488 123 1HE LYS 16 2HE LYS 16 -4.290 18.522 -1.948 124 2HE LYS 16 1HE LYS 16 -4.363 18.431 -3.718 125 1HZ LYS 16 1HZ LYS 16 -6.606 18.878 -3.747 126 2HZ LYS 16 2HZ LYS 16 -6.110 19.848 -2.442 127 3HZ LYS 16 3HZ LYS 16 -6.854 18.347 -2.157 128 H PHE 17 H PHE 17 -5.046 11.151 -2.009 129 HA PHE 17 HA PHE 17 -2.404 10.207 -3.020 130 1HB PHE 17 2HB PHE 17 -4.421 9.293 -1.182 131 2HB PHE 17 1HB PHE 17 -4.226 8.092 -2.460 132 HD1 PHE 17 1HD PHE 17 -1.606 10.434 -1.254 133 HD2 PHE 17 2HD PHE 17 -3.048 6.387 -1.265 134 HE1 PHE 17 1HE PHE 17 0.520 9.673 -0.230 135 HE2 PHE 17 2HE PHE 17 -0.920 5.626 -0.242 136 HZ PHE 17 HZ PHE 17 0.864 7.269 0.275 137 H SER 18 H SER 18 -2.224 9.256 -5.045 138 HA SER 18 HA SER 18 -4.751 8.914 -6.630 139 1HB SER 18 2HB SER 18 -3.701 10.918 -7.383 140 2HB SER 18 1HB SER 18 -2.096 10.193 -7.307 141 HG SER 18 HG SER 18 -2.728 10.158 -9.429 142 H PHE 19 H PHE 19 -4.781 6.609 -6.467 143 HA PHE 19 HA PHE 19 -2.560 4.870 -6.637 144 1HB PHE 19 2HB PHE 19 -4.425 3.309 -7.574 145 2HB PHE 19 1HB PHE 19 -4.624 3.964 -5.955 146 HD1 PHE 19 1HD PHE 19 -5.602 4.406 -9.519 147 HD2 PHE 19 2HD PHE 19 -6.419 5.446 -5.431 148 HE1 PHE 19 1HE PHE 19 -7.734 5.465 -10.214 149 HE2 PHE 19 2HE PHE 19 -8.551 6.504 -6.127 150 HZ PHE 19 HZ PHE 19 -9.209 6.513 -8.518 151 H ALA 20 H ALA 20 -1.116 4.733 -8.298 152 HA ALA 20 HA ALA 20 -2.039 5.391 -11.065 153 1HB ALA 20 1HB ALA 20 0.788 5.143 -10.856 154 2HB ALA 20 2HB ALA 20 0.238 6.012 -9.423 155 3HB ALA 20 3HB ALA 20 -0.151 6.627 -11.030 156 H LYS 21 H LYS 21 -0.863 2.798 -9.056 157 HA LYS 21 HA LYS 21 -0.869 1.014 -11.456 158 1HB LYS 21 2HB LYS 21 1.232 0.925 -9.279 159 2HB LYS 21 1HB LYS 21 1.267 0.118 -10.847 160 1HG LYS 21 2HG LYS 21 1.102 2.538 -11.820 161 2HG LYS 21 1HG LYS 21 1.656 3.035 -10.220 162 1HD LYS 21 2HD LYS 21 3.584 1.444 -10.462 163 2HD LYS 21 1HD LYS 21 3.069 1.146 -12.123 164 1HE LYS 21 2HE LYS 21 3.493 3.982 -11.200 165 2HE LYS 21 1HE LYS 21 4.885 2.993 -11.683 166 1HZ LYS 21 1HZ LYS 21 2.642 3.939 -13.288 167 2HZ LYS 21 2HZ LYS 21 3.194 2.365 -13.611 168 3HZ LYS 21 3HZ LYS 21 4.259 3.685 -13.733 169 H ASN 22 H ASN 22 -1.436 -1.168 -10.965 170 HA ASN 22 HA ASN 22 -3.201 -1.564 -8.726 171 1HB ASN 22 2HB ASN 22 -2.108 -3.042 -11.041 172 2HB ASN 22 1HB ASN 22 -2.583 -4.061 -9.682 173 1HD2 ASN 22 1HD2 ASN 22 -3.898 -1.224 -11.501 174 2HD2 ASN 22 2HD2 ASN 22 -5.501 -1.779 -11.486 175 HA PRO 23 HA PRO 23 -0.475 -3.025 -5.619 176 1HB PRO 23 2HB PRO 23 -1.888 -5.097 -4.520 177 2HB PRO 23 1HB PRO 23 -2.331 -3.393 -4.287 178 1HG PRO 23 2HG PRO 23 -3.497 -5.417 -6.130 179 2HG PRO 23 1HG PRO 23 -4.298 -4.143 -5.198 180 1HD PRO 23 2HD PRO 23 -3.764 -3.957 -7.871 181 2HD PRO 23 1HD PRO 23 -3.905 -2.551 -6.792 182 H ALA 24 H ALA 24 1.223 -4.520 -5.402 183 HA ALA 24 HA ALA 24 1.071 -7.019 -7.050 184 1HB ALA 24 1HB ALA 24 2.636 -4.653 -7.445 185 2HB ALA 24 2HB ALA 24 2.655 -6.139 -8.396 186 3HB ALA 24 3HB ALA 24 3.731 -5.965 -7.009 187 H ASP 25 H ASP 25 2.374 -8.763 -6.217 188 HA ASP 25 HA ASP 25 2.902 -8.568 -3.308 189 1HB ASP 25 2HB ASP 25 3.124 -11.055 -3.586 190 2HB ASP 25 1HB ASP 25 1.588 -10.427 -4.186 191 H THR 26 H THR 26 4.962 -8.410 -2.496 192 HA THR 26 HA THR 26 7.244 -8.568 -4.412 193 HB THR 26 HB THR 26 8.105 -7.647 -1.908 194 HG1 THR 26 1HG THR 26 6.525 -6.429 -1.123 195 1HG2 THR 26 1HG2 THR 26 8.900 -6.515 -3.780 196 2HG2 THR 26 2HG2 THR 26 7.735 -5.353 -3.148 197 3HG2 THR 26 3HG2 THR 26 7.300 -6.387 -4.508 198 H GLY 27 H GLY 27 7.276 -9.129 -0.910 199 1HA GLY 27 2HA GLY 27 8.901 -11.545 -1.318 200 2HA GLY 27 1HA GLY 27 8.504 -10.813 0.238 201 H HIS 28 H HIS 28 6.942 -11.802 1.436 202 HA HIS 28 HA HIS 28 5.066 -13.672 0.023 203 1HB HIS 28 2HB HIS 28 7.177 -14.470 1.489 204 2HB HIS 28 1HB HIS 28 6.014 -14.249 2.795 205 HD1 HIS 28 1HD HIS 28 3.467 -15.316 1.915 206 HD2 HIS 28 2HD HIS 28 7.011 -17.067 0.591 207 HE1 HIS 28 1HE HIS 28 2.871 -17.659 1.162 208 H GLY 29 H GLY 29 3.263 -12.259 0.172 209 1HA GLY 29 2HA GLY 29 1.257 -11.801 1.444 210 2HA GLY 29 1HA GLY 29 2.213 -11.888 2.926 211 H THR 30 H THR 30 3.860 -10.135 0.567 212 HA THR 30 HA THR 30 3.106 -7.580 1.914 213 HB THR 30 HB THR 30 5.294 -6.839 1.015 214 HG1 THR 30 1HG THR 30 5.540 -9.487 0.055 215 1HG2 THR 30 1HG2 THR 30 6.004 -9.494 2.104 216 2HG2 THR 30 2HG2 THR 30 4.869 -8.559 3.078 217 3HG2 THR 30 3HG2 THR 30 6.449 -7.887 2.676 218 H VAL 31 H VAL 31 1.922 -6.103 0.764 219 HA VAL 31 HA VAL 31 1.646 -6.494 -2.168 220 HB VAL 31 HB VAL 31 -0.127 -5.055 -0.175 221 1HG1 VAL 31 1HG1 VAL 31 -0.854 -6.055 -2.931 222 2HG1 VAL 31 2HG1 VAL 31 -0.197 -4.438 -2.677 223 3HG1 VAL 31 3HG1 VAL 31 -1.723 -4.898 -1.923 224 1HG2 VAL 31 1HG2 VAL 31 -1.429 -7.009 -0.020 225 2HG2 VAL 31 2HG2 VAL 31 0.218 -7.638 0.007 226 3HG2 VAL 31 3HG2 VAL 31 -0.726 -7.704 -1.481 227 H VAL 32 H VAL 32 2.225 -4.794 -3.525 228 HA VAL 32 HA VAL 32 3.204 -2.294 -2.187 229 HB VAL 32 HB VAL 32 4.117 -3.238 -4.887 230 1HG1 VAL 32 1HG1 VAL 32 6.225 -2.226 -4.111 231 2HG1 VAL 32 2HG1 VAL 32 5.505 -1.928 -2.529 232 3HG1 VAL 32 3HG1 VAL 32 4.890 -1.084 -3.951 233 1HG2 VAL 32 1HG2 VAL 32 5.834 -4.655 -3.769 234 2HG2 VAL 32 2HG2 VAL 32 4.202 -5.265 -3.499 235 3HG2 VAL 32 3HG2 VAL 32 5.033 -4.375 -2.223 236 H ILE 33 H ILE 33 2.550 -0.319 -3.077 237 HA ILE 33 HA ILE 33 0.895 -0.353 -5.562 238 HB ILE 33 HB ILE 33 -0.595 -0.634 -3.607 239 1HG1 ILE 33 2HG1 ILE 33 -1.007 2.233 -4.302 240 2HG1 ILE 33 1HG1 ILE 33 -0.943 1.096 -5.648 241 1HG2 ILE 33 1HG2 ILE 33 1.214 1.373 -2.516 242 2HG2 ILE 33 2HG2 ILE 33 0.092 0.307 -1.674 243 3HG2 ILE 33 3HG2 ILE 33 -0.474 1.846 -2.322 244 1HD1 ILE 33 1HD1 ILE 33 -3.187 1.627 -4.139 245 2HD1 ILE 33 2HD1 ILE 33 -2.572 0.154 -3.389 246 3HD1 ILE 33 3HD1 ILE 33 -2.945 0.176 -5.113 247 H GLU 34 H GLU 34 1.042 1.617 -6.716 248 HA GLU 34 HA GLU 34 2.936 3.632 -5.556 249 1HB GLU 34 2HB GLU 34 3.348 2.077 -7.686 250 2HB GLU 34 1HB GLU 34 2.424 3.347 -8.490 251 1HG GLU 34 2HG GLU 34 3.988 5.041 -7.559 252 2HG GLU 34 1HG GLU 34 4.936 3.740 -6.836 253 H LEU 35 H LEU 35 1.522 5.207 -4.754 254 HA LEU 35 HA LEU 35 -0.566 6.254 -6.638 255 1HB LEU 35 2HB LEU 35 -0.410 6.684 -3.649 256 2HB LEU 35 1HB LEU 35 -1.825 6.806 -4.696 257 HG LEU 35 HG LEU 35 -1.317 4.278 -5.203 258 1HD1 LEU 35 1HD1 LEU 35 0.613 4.935 -3.167 259 2HD1 LEU 35 2HD1 LEU 35 0.398 3.414 -4.033 260 3HD1 LEU 35 3HD1 LEU 35 -0.506 3.720 -2.549 261 1HD2 LEU 35 1HD2 LEU 35 -3.214 5.465 -3.803 262 2HD2 LEU 35 2HD2 LEU 35 -2.346 4.785 -2.427 263 3HD2 LEU 35 3HD2 LEU 35 -2.990 3.720 -3.676 264 H SER 36 H SER 36 -0.381 8.423 -7.230 265 HA SER 36 HA SER 36 2.052 9.840 -6.456 266 1HB SER 36 2HB SER 36 0.074 11.217 -8.122 267 2HB SER 36 1HB SER 36 1.747 10.807 -8.488 268 HG SER 36 HG SER 36 -0.606 9.370 -8.918 269 H TYR 37 H TYR 37 2.095 11.428 -4.884 270 HA TYR 37 HA TYR 37 -0.507 12.179 -3.675 271 1HB TYR 37 2HB TYR 37 1.073 11.513 -2.063 272 2HB TYR 37 1HB TYR 37 2.405 12.299 -2.910 273 HD1 TYR 37 1HD TYR 37 3.229 14.252 -1.954 274 HD2 TYR 37 2HD TYR 37 -0.915 13.252 -1.423 275 HE1 TYR 37 1HE TYR 37 2.919 16.280 -0.561 276 HE2 TYR 37 2HE TYR 37 -1.225 15.280 -0.028 277 HH TYR 37 HH TYR 37 0.616 17.798 -0.013 278 H SER 38 H SER 38 -1.369 13.806 -5.024 279 HA SER 38 HA SER 38 0.367 16.039 -5.855 280 1HB SER 38 2HB SER 38 -2.467 15.193 -6.496 281 2HB SER 38 1HB SER 38 -1.709 16.633 -7.170 282 HG SER 38 HG SER 38 -0.587 15.410 -8.464 283 H GLY 39 H GLY 39 0.451 16.632 -3.423 284 1HA GLY 39 2HA GLY 39 -1.913 18.347 -2.775 285 2HA GLY 39 1HA GLY 39 -1.043 17.443 -1.534 286 H SER 40 H SER 40 -1.371 20.473 -2.686 287 HA SER 40 HA SER 40 1.503 21.225 -2.567 288 1HB SER 40 2HB SER 40 -0.684 22.042 -4.050 289 2HB SER 40 1HB SER 40 -0.551 23.315 -2.839 290 HG SER 40 HG SER 40 0.768 23.380 -4.915 291 H ASP 41 H ASP 41 -0.043 20.302 -0.152 292 HA ASP 41 HA ASP 41 -0.130 22.808 1.468 293 1HB ASP 41 2HB ASP 41 -1.479 21.494 2.976 294 2HB ASP 41 1HB ASP 41 -2.048 21.146 1.345 295 H GLY 42 H GLY 42 2.073 20.468 0.652 296 1HA GLY 42 2HA GLY 42 4.296 20.483 1.675 297 2HA GLY 42 1HA GLY 42 3.532 20.842 3.226 298 HA PRO 43 HA PRO 43 4.196 16.233 2.678 299 1HB PRO 43 2HB PRO 43 6.116 15.912 4.600 300 2HB PRO 43 1HB PRO 43 6.495 16.252 2.900 301 1HG PRO 43 2HG PRO 43 6.467 18.085 5.236 302 2HG PRO 43 1HG PRO 43 7.564 18.042 3.850 303 1HD PRO 43 2HD PRO 43 5.508 19.830 4.114 304 2HD PRO 43 1HD PRO 43 6.178 19.312 2.550 305 H CYS 44 H CYS 44 3.279 14.714 4.135 306 HA CYS 44 HA CYS 44 2.766 15.338 6.937 307 1HB CYS 44 2HB CYS 44 1.012 16.315 4.884 308 2HB CYS 44 1HB CYS 44 0.158 15.083 5.807 309 H LYS 45 H LYS 45 1.484 13.521 7.948 310 HA LYS 45 HA LYS 45 2.280 10.960 6.896 311 1HB LYS 45 2HB LYS 45 0.101 11.469 8.924 312 2HB LYS 45 1HB LYS 45 1.234 10.123 8.861 313 1HG LYS 45 2HG LYS 45 1.780 12.989 9.641 314 2HG LYS 45 1HG LYS 45 2.075 11.525 10.578 315 1HD LYS 45 2HD LYS 45 3.840 10.841 9.048 316 2HD LYS 45 1HD LYS 45 3.499 12.211 7.990 317 1HE LYS 45 2HE LYS 45 3.901 13.583 10.259 318 2HE LYS 45 1HE LYS 45 4.902 12.164 10.629 319 1HZ LYS 45 1HZ LYS 45 6.103 12.425 8.630 320 2HZ LYS 45 2HZ LYS 45 6.037 13.976 9.322 321 3HZ LYS 45 3HZ LYS 45 5.016 13.576 8.024 322 H ILE 46 H ILE 46 1.073 9.452 5.722 323 HA ILE 46 HA ILE 46 -1.345 10.488 4.372 324 HB ILE 46 HB ILE 46 -0.013 7.814 3.949 325 1HG1 ILE 46 2HG1 ILE 46 0.916 10.471 2.811 326 2HG1 ILE 46 1HG1 ILE 46 1.755 9.594 4.087 327 1HG2 ILE 46 1HG2 ILE 46 -0.861 9.601 1.735 328 2HG2 ILE 46 2HG2 ILE 46 -2.157 8.972 2.751 329 3HG2 ILE 46 3HG2 ILE 46 -1.071 7.860 1.918 330 1HD1 ILE 46 1HD1 ILE 46 2.829 8.417 2.501 331 2HD1 ILE 46 2HD1 ILE 46 1.858 9.166 1.235 332 3HD1 ILE 46 3HD1 ILE 46 1.280 7.709 2.042 333 HA PRO 47 HA PRO 47 -3.683 8.131 7.413 334 1HB PRO 47 2HB PRO 47 -6.060 9.367 6.877 335 2HB PRO 47 1HB PRO 47 -4.811 10.086 7.912 336 1HG PRO 47 2HG PRO 47 -5.495 10.678 5.083 337 2HG PRO 47 1HG PRO 47 -4.969 11.771 6.372 338 1HD PRO 47 2HD PRO 47 -3.342 10.834 4.365 339 2HD PRO 47 1HD PRO 47 -2.764 11.402 5.946 340 H ILE 48 H ILE 48 -3.648 6.100 6.302 341 HA ILE 48 HA ILE 48 -5.902 5.705 4.367 342 HB ILE 48 HB ILE 48 -2.986 5.122 4.183 343 1HG1 ILE 48 2HG1 ILE 48 -4.139 5.178 1.661 344 2HG1 ILE 48 1HG1 ILE 48 -5.165 6.268 2.593 345 1HG2 ILE 48 1HG2 ILE 48 -5.101 3.279 3.023 346 2HG2 ILE 48 2HG2 ILE 48 -3.945 2.851 4.283 347 3HG2 ILE 48 3HG2 ILE 48 -3.378 3.217 2.653 348 1HD1 ILE 48 1HD1 ILE 48 -2.141 6.414 2.475 349 2HD1 ILE 48 2HD1 ILE 48 -3.204 7.531 3.331 350 3HD1 ILE 48 3HD1 ILE 48 -3.238 7.455 1.569 351 H VAL 49 H VAL 49 -7.323 4.355 5.387 352 HA VAL 49 HA VAL 49 -6.344 2.436 7.427 353 HB VAL 49 HB VAL 49 -8.738 2.237 7.926 354 1HG1 VAL 49 1HG1 VAL 49 -7.218 4.604 8.064 355 2HG1 VAL 49 2HG1 VAL 49 -8.642 4.202 9.024 356 3HG1 VAL 49 3HG1 VAL 49 -8.818 5.105 7.519 357 1HG2 VAL 49 1HG2 VAL 49 -10.039 2.300 6.051 358 2HG2 VAL 49 2HG2 VAL 49 -8.928 3.371 5.198 359 3HG2 VAL 49 3HG2 VAL 49 -10.074 4.036 6.361 360 H SER 50 H SER 50 -5.556 0.568 6.470 361 HA SER 50 HA SER 50 -6.787 -0.514 4.020 362 1HB SER 50 2HB SER 50 -4.806 -2.086 5.555 363 2HB SER 50 1HB SER 50 -4.787 -1.610 3.859 364 HG SER 50 HG SER 50 -3.245 -0.610 5.513 365 H VAL 51 H VAL 51 -8.835 -1.345 4.541 366 HA VAL 51 HA VAL 51 -8.919 -3.384 6.741 367 HB VAL 51 HB VAL 51 -11.057 -1.560 5.595 368 1HG1 VAL 51 1HG1 VAL 51 -12.061 -3.640 6.333 369 2HG1 VAL 51 2HG1 VAL 51 -12.391 -2.409 7.552 370 3HG1 VAL 51 3HG1 VAL 51 -11.128 -3.609 7.829 371 1HG2 VAL 51 1HG2 VAL 51 -9.417 -0.365 6.971 372 2HG2 VAL 51 2HG2 VAL 51 -9.584 -1.568 8.250 373 3HG2 VAL 51 3HG2 VAL 51 -10.938 -0.510 7.852 374 H ALA 52 H ALA 52 -10.067 -5.329 6.292 375 HA ALA 52 HA ALA 52 -9.950 -6.312 3.584 376 1HB ALA 52 1HB ALA 52 -10.458 -7.231 6.267 377 2HB ALA 52 2HB ALA 52 -9.993 -8.182 4.855 378 3HB ALA 52 3HB ALA 52 -11.697 -7.880 5.193 379 H SER 53 H SER 53 -11.946 -7.147 2.399 380 HA SER 53 HA SER 53 -13.924 -5.051 2.149 381 1HB SER 53 2HB SER 53 -13.423 -6.318 0.216 382 2HB SER 53 1HB SER 53 -13.518 -7.846 1.087 383 HG SER 53 HG SER 53 -15.368 -7.351 -0.257 384 H LEU 54 H LEU 54 -15.176 -4.765 4.030 385 HA LEU 54 HA LEU 54 -17.365 -6.501 4.521 386 1HB LEU 54 2HB LEU 54 -14.809 -7.409 5.525 387 2HB LEU 54 1HB LEU 54 -15.941 -7.180 6.858 388 HG LEU 54 HG LEU 54 -17.071 -8.499 4.462 389 1HD1 LEU 54 1HD1 LEU 54 -15.821 -10.567 5.962 390 2HD1 LEU 54 2HD1 LEU 54 -14.568 -9.395 5.550 391 3HD1 LEU 54 3HD1 LEU 54 -15.537 -10.134 4.275 392 1HD2 LEU 54 1HD2 LEU 54 -17.807 -10.044 6.453 393 2HD2 LEU 54 2HD2 LEU 54 -18.508 -8.432 6.312 394 3HD2 LEU 54 3HD2 LEU 54 -17.203 -8.728 7.460 395 H ASN 55 H ASN 55 -15.046 -5.009 6.828 396 HA ASN 55 HA ASN 55 -17.302 -3.654 8.171 397 1HB ASN 55 2HB ASN 55 -14.346 -4.053 8.611 398 2HB ASN 55 1HB ASN 55 -15.229 -2.859 9.566 399 1HD2 ASN 55 1HD2 ASN 55 -14.322 -6.100 9.547 400 2HD2 ASN 55 2HD2 ASN 55 -15.504 -6.708 10.604 401 H ASP 56 H ASP 56 -17.094 -1.273 8.636 402 HA ASP 56 HA ASP 56 -16.071 0.174 6.226 403 1HB ASP 56 2HB ASP 56 -18.474 0.316 6.720 404 2HB ASP 56 1HB ASP 56 -18.120 0.874 8.355 405 H MET 57 H MET 57 -16.073 0.214 9.785 406 HA MET 57 HA MET 57 -13.802 2.175 9.677 407 1HB MET 57 2HB MET 57 -16.326 2.527 10.725 408 2HB MET 57 1HB MET 57 -15.411 2.010 12.142 409 1HG MET 57 2HG MET 57 -13.639 3.755 11.243 410 2HG MET 57 1HG MET 57 -15.045 4.449 10.436 411 1HE MET 57 1HE MET 57 -17.514 4.676 13.531 412 2HE MET 57 2HE MET 57 -17.130 3.160 12.720 413 3HE MET 57 3HE MET 57 -17.379 4.622 11.768 414 H THR 58 H THR 58 -13.763 -0.829 9.718 415 HA THR 58 HA THR 58 -12.522 -1.282 12.409 416 HB THR 58 HB THR 58 -13.485 -3.306 10.367 417 HG1 THR 58 1HG THR 58 -15.357 -3.369 11.714 418 1HG2 THR 58 1HG2 THR 58 -12.016 -4.293 11.986 419 2HG2 THR 58 2HG2 THR 58 -13.658 -4.709 12.475 420 3HG2 THR 58 3HG2 THR 58 -12.790 -3.421 13.310 421 HA PRO 59 HA PRO 59 -8.760 -1.320 9.991 422 1HB PRO 59 2HB PRO 59 -7.077 -1.672 12.121 423 2HB PRO 59 1HB PRO 59 -7.789 -0.102 11.701 424 1HG PRO 59 2HG PRO 59 -8.591 -2.041 13.809 425 2HG PRO 59 1HG PRO 59 -8.572 -0.271 13.849 426 1HD PRO 59 2HD PRO 59 -10.838 -1.757 13.489 427 2HD PRO 59 1HD PRO 59 -10.636 -0.098 12.881 428 H VAL 60 H VAL 60 -7.918 -3.111 8.975 429 HA VAL 60 HA VAL 60 -7.611 -5.640 10.524 430 HB VAL 60 HB VAL 60 -8.926 -5.468 7.804 431 1HG1 VAL 60 1HG1 VAL 60 -8.876 -7.641 9.922 432 2HG1 VAL 60 2HG1 VAL 60 -7.909 -7.639 8.447 433 3HG1 VAL 60 3HG1 VAL 60 -9.665 -7.746 8.348 434 1HG2 VAL 60 1HG2 VAL 60 -10.188 -5.581 10.562 435 2HG2 VAL 60 2HG2 VAL 60 -11.065 -5.832 9.052 436 3HG2 VAL 60 3HG2 VAL 60 -10.333 -4.265 9.397 437 H GLY 61 H GLY 61 -6.945 -3.808 7.590 438 1HA GLY 61 2HA GLY 61 -4.850 -5.623 6.681 439 2HA GLY 61 1HA GLY 61 -5.212 -4.036 5.998 440 H ARG 62 H ARG 62 -2.541 -4.796 6.437 441 HA ARG 62 HA ARG 62 -1.794 -2.876 8.610 442 1HB ARG 62 2HB ARG 62 -0.407 -5.520 8.102 443 2HB ARG 62 1HB ARG 62 -0.223 -4.454 9.495 444 1HG ARG 62 2HG ARG 62 -2.897 -4.904 9.595 445 2HG ARG 62 1HG ARG 62 -2.351 -6.428 8.895 446 1HD ARG 62 2HD ARG 62 -0.746 -6.723 10.749 447 2HD ARG 62 1HD ARG 62 -1.283 -5.187 11.458 448 HE ARG 62 HE ARG 62 -3.228 -7.407 10.963 449 1HH1 ARG 62 1HH2 ARG 62 -3.354 -4.453 12.247 450 2HH1 ARG 62 2HH2 ARG 62 -3.722 -4.912 13.876 451 1HH2 ARG 62 1HH1 ARG 62 -3.001 -8.266 13.374 452 2HH2 ARG 62 2HH1 ARG 62 -3.523 -7.071 14.514 453 H LEU 63 H LEU 63 0.332 -1.914 8.277 454 HA LEU 63 HA LEU 63 1.118 -1.852 5.405 455 1HB LEU 63 2HB LEU 63 1.546 -0.102 7.832 456 2HB LEU 63 1HB LEU 63 2.452 0.160 6.341 457 HG LEU 63 HG LEU 63 -0.447 -0.195 5.946 458 1HD1 LEU 63 1HD1 LEU 63 -0.290 2.499 6.659 459 2HD1 LEU 63 2HD1 LEU 63 0.554 1.661 7.960 460 3HD1 LEU 63 3HD1 LEU 63 -1.110 1.229 7.568 461 1HD2 LEU 63 1HD2 LEU 63 1.822 1.023 4.693 462 2HD2 LEU 63 2HD2 LEU 63 0.605 2.272 4.964 463 3HD2 LEU 63 3HD2 LEU 63 0.194 0.825 4.043 464 H VAL 64 H VAL 64 2.871 -3.066 4.804 465 HA VAL 64 HA VAL 64 4.504 -4.538 6.635 466 HB VAL 64 HB VAL 64 5.082 -3.672 3.783 467 1HG1 VAL 64 1HG1 VAL 64 5.824 -6.366 4.697 468 2HG1 VAL 64 2HG1 VAL 64 6.672 -5.076 5.550 469 3HG1 VAL 64 3HG1 VAL 64 6.773 -5.187 3.793 470 1HG2 VAL 64 1HG2 VAL 64 3.849 -6.308 4.413 471 2HG2 VAL 64 2HG2 VAL 64 3.599 -5.254 3.020 472 3HG2 VAL 64 3HG2 VAL 64 2.801 -4.896 4.552 473 H THR 65 H THR 65 4.588 -1.238 5.721 474 HA THR 65 HA THR 65 7.365 -0.979 6.834 475 HB THR 65 HB THR 65 5.931 0.519 4.619 476 HG1 THR 65 1HG THR 65 6.845 -1.401 3.954 477 1HG2 THR 65 1HG2 THR 65 8.424 1.136 6.169 478 2HG2 THR 65 2HG2 THR 65 7.158 2.231 5.615 479 3HG2 THR 65 3HG2 THR 65 8.328 1.582 4.466 480 H VAL 66 H VAL 66 7.715 1.162 7.925 481 HA VAL 66 HA VAL 66 5.952 1.789 9.965 482 HB VAL 66 HB VAL 66 7.708 3.670 8.350 483 1HG1 VAL 66 1HG1 VAL 66 6.450 3.865 11.092 484 2HG1 VAL 66 2HG1 VAL 66 6.343 5.018 9.762 485 3HG1 VAL 66 3HG1 VAL 66 7.861 4.821 10.639 486 1HG2 VAL 66 1HG2 VAL 66 9.193 2.039 9.074 487 2HG2 VAL 66 2HG2 VAL 66 8.213 1.624 10.481 488 3HG2 VAL 66 3HG2 VAL 66 9.187 3.095 10.486 489 H ASN 67 H ASN 67 4.586 3.852 10.181 490 HA ASN 67 HA ASN 67 2.344 3.877 8.539 491 1HB ASN 67 2HB ASN 67 2.794 5.074 10.738 492 2HB ASN 67 1HB ASN 67 3.604 6.329 9.799 493 1HD2 ASN 67 1HD2 ASN 67 0.473 4.987 10.652 494 2HD2 ASN 67 2HD2 ASN 67 -0.459 6.144 9.832 495 HA PRO 68 HA PRO 68 3.815 5.606 4.753 496 1HB PRO 68 2HB PRO 68 1.392 6.183 3.628 497 2HB PRO 68 1HB PRO 68 2.024 4.530 3.759 498 1HG PRO 68 2HG PRO 68 -0.025 5.906 5.405 499 2HG PRO 68 1HG PRO 68 0.073 4.213 4.904 500 1HD PRO 68 2HD PRO 68 0.745 5.148 7.408 501 2HD PRO 68 1HD PRO 68 1.341 3.630 6.700 502 H PHE 69 H PHE 69 4.789 7.606 5.404 503 HA PHE 69 HA PHE 69 2.936 9.946 5.594 504 1HB PHE 69 2HB PHE 69 4.934 10.857 6.929 505 2HB PHE 69 1HB PHE 69 3.997 9.583 7.696 506 HD1 PHE 69 1HD PHE 69 7.029 10.195 5.597 507 HD2 PHE 69 2HD PHE 69 5.037 7.567 8.349 508 HE1 PHE 69 1HE PHE 69 9.074 8.799 5.743 509 HE2 PHE 69 2HE PHE 69 7.082 6.170 8.495 510 HZ PHE 69 HZ PHE 69 9.100 6.787 7.192 511 H VAL 70 H VAL 70 3.374 11.660 4.199 512 HA VAL 70 HA VAL 70 5.460 11.246 2.142 513 HB VAL 70 HB VAL 70 3.210 13.240 2.555 514 1HG1 VAL 70 1HG1 VAL 70 4.227 13.025 -0.150 515 2HG1 VAL 70 2HG1 VAL 70 5.506 13.527 0.955 516 3HG1 VAL 70 3HG1 VAL 70 4.016 14.465 0.846 517 1HG2 VAL 70 1HG2 VAL 70 2.125 11.981 0.758 518 2HG2 VAL 70 2HG2 VAL 70 2.563 10.881 2.065 519 3HG2 VAL 70 3HG2 VAL 70 3.542 10.943 0.599 520 H ALA 71 H ALA 71 6.932 11.678 4.300 521 HA ALA 71 HA ALA 71 7.322 14.566 4.809 522 1HB ALA 71 1HB ALA 71 8.460 13.815 6.677 523 2HB ALA 71 2HB ALA 71 9.149 12.433 5.825 524 3HB ALA 71 3HB ALA 71 7.472 12.388 6.368 525 H THR 72 H THR 72 7.839 14.320 2.190 526 HA THR 72 HA THR 72 10.814 14.503 2.049 527 HB THR 72 HB THR 72 9.185 13.040 -0.032 528 HG1 THR 72 1HG THR 72 10.533 11.885 2.174 529 1HG2 THR 72 1HG2 THR 72 11.291 13.422 -0.914 530 2HG2 THR 72 2HG2 THR 72 11.569 11.885 -0.094 531 3HG2 THR 72 3HG2 THR 72 12.072 13.394 0.668 532 H SER 73 H SER 73 11.455 15.526 -0.117 533 HA SER 73 HA SER 73 9.576 17.748 -0.715 534 1HB SER 73 2HB SER 73 11.566 18.763 -1.689 535 2HB SER 73 1HB SER 73 12.000 18.077 -0.127 536 HG SER 73 HG SER 73 13.242 17.609 -2.276 537 H SER 74 H SER 74 10.338 14.695 -1.950 538 HA SER 74 HA SER 74 9.441 15.502 -4.698 539 1HB SER 74 2HB SER 74 11.335 14.488 -5.393 540 2HB SER 74 1HB SER 74 11.747 14.108 -3.723 541 HG SER 74 HG SER 74 10.179 12.600 -5.545 542 H ALA 75 H ALA 75 8.040 14.409 -2.093 543 HA ALA 75 HA ALA 75 6.996 11.805 -2.939 544 1HB ALA 75 1HB ALA 75 6.073 13.765 -0.814 545 2HB ALA 75 2HB ALA 75 7.306 12.527 -0.573 546 3HB ALA 75 3HB ALA 75 5.640 12.058 -0.908 547 H ASN 76 H ASN 76 6.516 14.740 -4.250 548 HA ASN 76 HA ASN 76 3.597 14.753 -4.400 549 1HB ASN 76 2HB ASN 76 5.663 16.348 -5.940 550 2HB ASN 76 1HB ASN 76 3.975 16.784 -5.667 551 1HD2 ASN 76 1HD2 ASN 76 6.838 17.851 -4.705 552 2HD2 ASN 76 2HD2 ASN 76 6.550 18.181 -3.066 553 H SER 77 H SER 77 5.493 12.548 -5.544 554 HA SER 77 HA SER 77 4.345 12.580 -8.308 555 1HB SER 77 2HB SER 77 7.001 12.638 -7.494 556 2HB SER 77 1HB SER 77 6.726 10.931 -7.831 557 HG SER 77 HG SER 77 6.220 13.137 -9.551 558 H LYS 78 H LYS 78 4.710 10.020 -9.054 559 HA LYS 78 HA LYS 78 2.746 8.533 -7.600 560 1HB LYS 78 2HB LYS 78 4.911 7.789 -9.593 561 2HB LYS 78 1HB LYS 78 3.661 6.664 -9.062 562 1HG LYS 78 2HG LYS 78 1.932 7.925 -10.049 563 2HG LYS 78 1HG LYS 78 2.930 9.376 -10.153 564 1HD LYS 78 2HD LYS 78 4.029 8.656 -12.049 565 2HD LYS 78 1HD LYS 78 3.864 6.952 -11.623 566 1HE LYS 78 2HE LYS 78 1.591 6.879 -12.345 567 2HE LYS 78 1HE LYS 78 1.479 8.649 -12.410 568 1HZ LYS 78 1HZ LYS 78 3.492 7.170 -13.992 569 2HZ LYS 78 2HZ LYS 78 2.925 8.755 -14.218 570 3HZ LYS 78 3HZ LYS 78 1.929 7.431 -14.592 571 H VAL 79 H VAL 79 3.490 8.576 -5.372 572 HA VAL 79 HA VAL 79 6.079 7.512 -4.614 573 HB VAL 79 HB VAL 79 5.181 7.875 -2.381 574 1HG1 VAL 79 1HG1 VAL 79 4.941 10.170 -2.544 575 2HG1 VAL 79 2HG1 VAL 79 3.842 10.059 -3.919 576 3HG1 VAL 79 3HG1 VAL 79 5.573 9.823 -4.154 577 1HG2 VAL 79 1HG2 VAL 79 2.790 7.006 -3.504 578 2HG2 VAL 79 2HG2 VAL 79 2.501 8.718 -3.195 579 3HG2 VAL 79 3HG2 VAL 79 2.985 7.653 -1.874 580 H LEU 80 H LEU 80 5.952 5.567 -2.883 581 HA LEU 80 HA LEU 80 4.000 3.516 -3.872 582 1HB LEU 80 2HB LEU 80 6.323 3.445 -4.921 583 2HB LEU 80 1HB LEU 80 6.933 3.017 -3.322 584 HG LEU 80 HG LEU 80 4.621 1.465 -4.417 585 1HD1 LEU 80 1HD1 LEU 80 5.927 0.126 -5.822 586 2HD1 LEU 80 2HD1 LEU 80 7.438 0.648 -5.078 587 3HD1 LEU 80 3HD1 LEU 80 6.564 1.736 -6.155 588 1HD2 LEU 80 1HD2 LEU 80 5.091 0.329 -2.527 589 2HD2 LEU 80 2HD2 LEU 80 6.519 1.325 -2.245 590 3HD2 LEU 80 3HD2 LEU 80 6.640 -0.130 -3.234 591 H VAL 81 H VAL 81 3.070 2.350 -2.243 592 HA VAL 81 HA VAL 81 4.272 2.532 0.499 593 HB VAL 81 HB VAL 81 1.358 2.061 -0.076 594 1HG1 VAL 81 1HG1 VAL 81 1.423 3.701 2.019 595 2HG1 VAL 81 2HG1 VAL 81 3.071 3.088 2.147 596 3HG1 VAL 81 3HG1 VAL 81 1.707 1.971 2.208 597 1HG2 VAL 81 1HG2 VAL 81 1.003 4.510 -0.131 598 2HG2 VAL 81 2HG2 VAL 81 2.001 3.985 -1.487 599 3HG2 VAL 81 3HG2 VAL 81 2.749 4.761 -0.091 600 H GLU 82 H GLU 82 3.230 0.597 1.882 601 HA GLU 82 HA GLU 82 2.924 -1.872 0.250 602 1HB GLU 82 2HB GLU 82 5.181 -1.164 2.113 603 2HB GLU 82 1HB GLU 82 4.735 -2.852 1.863 604 1HG GLU 82 2HG GLU 82 4.924 -2.420 -0.632 605 2HG GLU 82 1HG GLU 82 5.638 -0.858 -0.228 606 H MET 83 H MET 83 1.594 -3.365 1.276 607 HA MET 83 HA MET 83 1.157 -3.231 4.195 608 1HB MET 83 2HB MET 83 -1.319 -2.892 3.797 609 2HB MET 83 1HB MET 83 -0.324 -1.497 3.382 610 1HG MET 83 2HG MET 83 -0.317 -2.244 1.007 611 2HG MET 83 1HG MET 83 -1.393 -3.571 1.446 612 1HE MET 83 1HE MET 83 -2.719 -3.099 -0.198 613 2HE MET 83 2HE MET 83 -2.946 -1.467 -0.822 614 3HE MET 83 3HE MET 83 -4.245 -2.248 0.075 615 H GLU 84 H GLU 84 0.532 -5.254 4.961 616 HA GLU 84 HA GLU 84 0.037 -7.352 2.930 617 1HB GLU 84 2HB GLU 84 0.740 -8.757 5.042 618 2HB GLU 84 1HB GLU 84 1.972 -7.919 4.105 619 1HG GLU 84 2HG GLU 84 2.173 -6.193 5.694 620 2HG GLU 84 1HG GLU 84 0.612 -6.562 6.427 621 HA PRO 85 HA PRO 85 -3.917 -6.889 5.282 622 1HB PRO 85 2HB PRO 85 -5.541 -6.921 3.080 623 2HB PRO 85 1HB PRO 85 -4.808 -5.434 3.717 624 1HG PRO 85 2HG PRO 85 -3.993 -7.102 1.395 625 2HG PRO 85 1HG PRO 85 -3.963 -5.344 1.589 626 1HD PRO 85 2HD PRO 85 -1.753 -6.946 1.812 627 2HD PRO 85 1HD PRO 85 -1.916 -5.363 2.602 628 HA PRO 86 HA PRO 86 -4.945 -11.154 5.018 629 1HB PRO 86 2HB PRO 86 -7.667 -11.170 5.302 630 2HB PRO 86 1HB PRO 86 -6.559 -10.799 6.638 631 1HG PRO 86 2HG PRO 86 -8.141 -8.950 4.924 632 2HG PRO 86 1HG PRO 86 -7.796 -8.866 6.659 633 1HD PRO 86 2HD PRO 86 -6.489 -7.370 4.791 634 2HD PRO 86 1HD PRO 86 -5.768 -7.855 6.341 635 H PHE 87 H PHE 87 -6.051 -12.804 3.659 636 HA PHE 87 HA PHE 87 -6.097 -12.103 0.861 637 1HB PHE 87 2HB PHE 87 -7.288 -14.509 0.914 638 2HB PHE 87 1HB PHE 87 -5.562 -14.326 1.222 639 HD1 PHE 87 1HD PHE 87 -8.835 -14.170 3.055 640 HD2 PHE 87 2HD PHE 87 -4.680 -15.249 3.166 641 HE1 PHE 87 1HE PHE 87 -9.134 -15.083 5.339 642 HE2 PHE 87 2HE PHE 87 -4.977 -16.163 5.449 643 HZ PHE 87 HZ PHE 87 -7.205 -16.083 6.538 644 H GLY 88 H GLY 88 -7.880 -11.803 -0.531 645 1HA GLY 88 2HA GLY 88 -10.314 -11.978 -0.947 646 2HA GLY 88 1HA GLY 88 -10.567 -11.664 0.772 647 H ASP 89 H ASP 89 -11.744 -10.098 -1.332 648 HA ASP 89 HA ASP 89 -10.409 -7.733 -2.050 649 1HB ASP 89 2HB ASP 89 -13.292 -8.044 -1.147 650 2HB ASP 89 1HB ASP 89 -12.670 -6.824 -2.258 651 H SER 90 H SER 90 -10.156 -5.691 -0.995 652 HA SER 90 HA SER 90 -10.742 -5.671 1.947 653 1HB SER 90 2HB SER 90 -8.521 -4.605 2.209 654 2HB SER 90 1HB SER 90 -8.384 -6.190 1.454 655 HG SER 90 HG SER 90 -7.189 -4.810 0.218 656 H TYR 91 H TYR 91 -11.597 -3.734 2.713 657 HA TYR 91 HA TYR 91 -12.249 -1.652 0.708 658 1HB TYR 91 2HB TYR 91 -13.288 -2.714 3.213 659 2HB TYR 91 1HB TYR 91 -13.196 -0.953 3.263 660 HD1 TYR 91 1HD TYR 91 -13.617 -0.256 0.417 661 HD2 TYR 91 2HD TYR 91 -15.579 -3.177 2.882 662 HE1 TYR 91 1HE TYR 91 -15.636 -0.109 -1.015 663 HE2 TYR 91 2HE TYR 91 -17.598 -3.030 1.448 664 HH TYR 91 HH TYR 91 -17.873 -2.236 -1.263 665 H ILE 92 H ILE 92 -10.449 -0.325 0.389 666 HA ILE 92 HA ILE 92 -8.941 0.584 2.801 667 HB ILE 92 HB ILE 92 -7.819 -0.487 0.813 668 1HG1 ILE 92 2HG1 ILE 92 -7.151 2.374 1.548 669 2HG1 ILE 92 1HG1 ILE 92 -6.452 0.898 2.216 670 1HG2 ILE 92 1HG2 ILE 92 -8.020 0.357 -1.299 671 2HG2 ILE 92 2HG2 ILE 92 -8.065 2.028 -0.734 672 3HG2 ILE 92 3HG2 ILE 92 -9.521 1.034 -0.666 673 1HD1 ILE 92 1HD1 ILE 92 -5.926 0.530 -0.425 674 2HD1 ILE 92 2HD1 ILE 92 -4.801 1.303 0.692 675 3HD1 ILE 92 3HD1 ILE 92 -5.846 2.289 -0.329 676 H VAL 93 H VAL 93 -9.071 2.733 3.450 677 HA VAL 93 HA VAL 93 -10.532 4.624 1.631 678 HB VAL 93 HB VAL 93 -10.588 4.566 4.658 679 1HG1 VAL 93 1HG1 VAL 93 -12.920 5.668 3.840 680 2HG1 VAL 93 2HG1 VAL 93 -11.876 6.148 2.502 681 3HG1 VAL 93 3HG1 VAL 93 -11.467 6.617 4.152 682 1HG2 VAL 93 1HG2 VAL 93 -13.060 3.694 3.663 683 2HG2 VAL 93 2HG2 VAL 93 -11.858 2.705 4.491 684 3HG2 VAL 93 3HG2 VAL 93 -11.861 2.799 2.730 685 H VAL 94 H VAL 94 -9.061 6.145 0.957 686 HA VAL 94 HA VAL 94 -6.885 6.988 2.827 687 HB VAL 94 HB VAL 94 -7.265 7.517 -0.138 688 1HG1 VAL 94 1HG1 VAL 94 -5.565 8.947 0.454 689 2HG1 VAL 94 2HG1 VAL 94 -4.608 7.478 0.264 690 3HG1 VAL 94 3HG1 VAL 94 -5.117 7.998 1.870 691 1HG2 VAL 94 1HG2 VAL 94 -7.004 5.258 -0.317 692 2HG2 VAL 94 2HG2 VAL 94 -6.409 5.102 1.335 693 3HG2 VAL 94 3HG2 VAL 94 -5.314 5.604 0.047 694 H GLY 95 H GLY 95 -7.776 8.665 4.081 695 1HA GLY 95 2HA GLY 95 -8.540 11.116 2.634 696 2HA GLY 95 1HA GLY 95 -9.814 10.411 3.627 697 H MET 96 H MET 96 -8.996 12.922 4.287 698 HA MET 96 HA MET 96 -7.142 12.563 6.615 699 1HB MET 96 2HB MET 96 -6.889 14.231 4.546 700 2HB MET 96 1HB MET 96 -7.966 15.226 5.526 701 1HG MET 96 2HG MET 96 -6.344 14.777 7.470 702 2HG MET 96 1HG MET 96 -5.222 14.185 6.244 703 1HE MET 96 1HE MET 96 -5.170 17.214 3.776 704 2HE MET 96 2HE MET 96 -5.864 15.599 3.857 705 3HE MET 96 3HE MET 96 -4.163 15.838 4.246 706 H GLY 97 H GLY 97 -10.093 14.378 5.653 707 1HA GLY 97 2HA GLY 97 -10.860 14.444 8.540 708 2HA GLY 97 1HA GLY 97 -11.454 15.571 7.320 709 H ASP 98 H ASP 98 -13.663 15.119 7.605 710 HA ASP 98 HA ASP 98 -14.810 12.506 7.816 711 1HB ASP 98 2HB ASP 98 -16.893 13.764 7.185 712 2HB ASP 98 1HB ASP 98 -15.963 14.557 8.457 713 H LYS 99 H LYS 99 -14.050 14.543 5.003 714 HA LYS 99 HA LYS 99 -15.333 12.753 3.104 715 1HB LYS 99 2HB LYS 99 -14.735 15.347 3.091 716 2HB LYS 99 1HB LYS 99 -13.240 14.759 2.365 717 1HG LYS 99 2HG LYS 99 -14.638 15.132 0.503 718 2HG LYS 99 1HG LYS 99 -14.791 13.398 0.789 719 1HD LYS 99 2HD LYS 99 -17.025 13.789 0.816 720 2HD LYS 99 1HD LYS 99 -16.743 14.428 2.436 721 1HE LYS 99 2HE LYS 99 -16.134 16.403 0.362 722 2HE LYS 99 1HE LYS 99 -17.826 15.867 0.317 723 1HZ LYS 99 1HZ LYS 99 -16.325 17.058 2.561 724 2HZ LYS 99 2HZ LYS 99 -17.665 16.058 2.864 725 3HZ LYS 99 3HZ LYS 99 -17.852 17.484 1.959 726 H GLN 100 H GLN 100 -14.419 10.792 2.610 727 HA GLN 100 HA GLN 100 -11.460 10.678 2.219 728 1HB GLN 100 2HB GLN 100 -12.082 8.236 3.346 729 2HB GLN 100 1HB GLN 100 -11.395 9.599 4.224 730 1HG GLN 100 2HG GLN 100 -13.377 8.776 5.402 731 2HG GLN 100 1HG GLN 100 -13.697 10.386 4.754 732 1HE2 GLN 100 1HE2 GLN 100 -13.606 7.475 2.721 733 2HE2 GLN 100 2HE2 GLN 100 -15.256 7.484 2.337 734 H ILE 101 H ILE 101 -10.820 9.138 0.634 735 HA ILE 101 HA ILE 101 -13.003 8.253 -1.175 736 HB ILE 101 HB ILE 101 -10.979 9.558 -1.924 737 1HG1 ILE 101 2HG1 ILE 101 -10.365 7.745 -3.747 738 2HG1 ILE 101 1HG1 ILE 101 -11.696 6.851 -3.011 739 1HG2 ILE 101 1HG2 ILE 101 -8.861 8.823 -1.544 740 2HG2 ILE 101 2HG2 ILE 101 -9.286 7.144 -1.880 741 3HG2 ILE 101 3HG2 ILE 101 -9.606 7.833 -0.289 742 1HD1 ILE 101 1HD1 ILE 101 -11.804 9.114 -4.810 743 2HD1 ILE 101 2HD1 ILE 101 -12.625 9.497 -3.297 744 3HD1 ILE 101 3HD1 ILE 101 -13.121 8.090 -4.237 745 H ASN 102 H ASN 102 -13.811 6.244 -0.619 746 HA ASN 102 HA ASN 102 -11.930 4.181 0.434 747 1HB ASN 102 2HB ASN 102 -14.107 3.056 1.029 748 2HB ASN 102 1HB ASN 102 -13.915 4.652 1.755 749 1HD2 ASN 102 1HD2 ASN 102 -16.504 3.951 1.617 750 2HD2 ASN 102 2HD2 ASN 102 -17.306 4.687 0.314 751 H HIS 103 H HIS 103 -11.360 2.462 -0.837 752 HA HIS 103 HA HIS 103 -12.888 2.027 -3.382 753 1HB HIS 103 2HB HIS 103 -9.955 2.016 -2.676 754 2HB HIS 103 1HB HIS 103 -10.537 1.155 -4.102 755 HD1 HIS 103 1HD HIS 103 -12.816 3.252 -4.797 756 HD2 HIS 103 2HD HIS 103 -8.811 4.177 -4.099 757 HE1 HIS 103 1HE HIS 103 -12.384 5.468 -5.938 758 H HIS 104 H HIS 104 -12.505 -0.299 -4.203 759 HA HIS 104 HA HIS 104 -12.567 -2.198 -1.880 760 1HB HIS 104 2HB HIS 104 -14.040 -3.497 -3.612 761 2HB HIS 104 1HB HIS 104 -14.741 -2.116 -2.770 762 HD1 HIS 104 1HD HIS 104 -12.456 -2.271 -5.830 763 HD2 HIS 104 2HD HIS 104 -16.165 -0.741 -4.695 764 HE1 HIS 104 1HE HIS 104 -13.330 -0.963 -7.816 765 H TRP 105 H TRP 105 -10.166 -2.404 -2.265 766 HA TRP 105 HA TRP 105 -8.924 -3.237 -4.643 767 1HB TRP 105 2HB TRP 105 -8.483 -3.402 -1.733 768 2HB TRP 105 1HB TRP 105 -7.638 -4.646 -2.654 769 HD1 TRP 105 HD TRP 105 -5.271 -3.507 -2.280 770 HE1 TRP 105 1HE TRP 105 -4.166 -1.434 -3.343 771 HE3 TRP 105 3HE TRP 105 -9.370 -1.305 -4.384 772 HZ2 TRP 105 2HZ TRP 105 -4.922 0.858 -4.881 773 HZ3 TRP 105 3HZ TRP 105 -9.150 0.820 -5.640 774 HH2 TRP 105 HH TRP 105 -6.934 1.903 -5.892 775 H HIS 106 H HIS 106 -8.954 -5.150 -5.802 776 HA HIS 106 HA HIS 106 -10.570 -7.405 -4.670 777 1HB HIS 106 2HB HIS 106 -10.389 -6.012 -7.221 778 2HB HIS 106 1HB HIS 106 -10.194 -7.752 -7.426 779 HD1 HIS 106 1HD HIS 106 -12.330 -9.020 -7.580 780 HD2 HIS 106 2HD HIS 106 -12.818 -5.458 -5.469 781 HE1 HIS 106 1HE HIS 106 -14.789 -8.865 -6.996 782 H LYS 107 H LYS 107 -8.945 -8.630 -3.639 783 HA LYS 107 HA LYS 107 -6.635 -9.489 -5.350 784 1HB LYS 107 2HB LYS 107 -6.208 -8.210 -3.219 785 2HB LYS 107 1HB LYS 107 -6.954 -9.540 -2.332 786 1HG LYS 107 2HG LYS 107 -4.739 -10.200 -2.233 787 2HG LYS 107 1HG LYS 107 -5.219 -10.987 -3.737 788 1HD LYS 107 2HD LYS 107 -3.561 -9.847 -4.753 789 2HD LYS 107 1HD LYS 107 -4.516 -8.385 -4.497 790 1HE LYS 107 2HE LYS 107 -3.211 -9.019 -2.026 791 2HE LYS 107 1HE LYS 107 -1.998 -9.043 -3.321 792 1HZ LYS 107 1HZ LYS 107 -2.388 -6.888 -3.868 793 2HZ LYS 107 2HZ LYS 107 -2.806 -6.790 -2.224 794 3HZ LYS 107 3HZ LYS 107 -4.019 -6.936 -3.406 795 H ALA 108 H ALA 108 -9.570 -10.512 -3.971 796 HA ALA 108 HA ALA 108 -9.208 -13.126 -3.085 797 1HB ALA 108 1HB ALA 108 -11.399 -12.678 -5.039 798 2HB ALA 108 2HB ALA 108 -11.296 -11.502 -3.729 799 3HB ALA 108 3HB ALA 108 -11.485 -13.217 -3.362 800 H GLY 109 H GLY 109 -9.223 -15.197 -4.196 801 1HA GLY 109 2HA GLY 109 -8.856 -15.224 -7.116 802 2HA GLY 109 1HA GLY 109 -7.441 -15.707 -6.180 803 H SER 110 H SER 110 -9.380 -17.242 -7.980 804 HA SER 110 HA SER 110 -10.896 -19.066 -6.355 805 1HB SER 110 2HB SER 110 -11.034 -20.318 -8.440 806 2HB SER 110 1HB SER 110 -11.126 -18.601 -8.816 807 HG SER 110 HG SER 110 -9.579 -20.078 -10.017 808 H THR 111 H THR 111 -10.214 -21.580 -6.709 809 HA THR 111 HA THR 111 -7.307 -21.952 -6.193 810 HB THR 111 HB THR 111 -9.488 -22.939 -4.330 811 HG1 THR 111 1HG THR 111 -9.485 -20.933 -3.715 812 1HG2 THR 111 1HG2 THR 111 -7.454 -23.179 -2.808 813 2HG2 THR 111 2HG2 THR 111 -6.468 -22.911 -4.245 814 3HG2 THR 111 3HG2 THR 111 -7.541 -24.308 -4.161 Start of MODEL 15 1 1H ASP 1 1HT ASP 1 13.306 -5.817 11.920 2 2H ASP 1 2HT ASP 1 13.929 -4.771 10.735 3 3H ASP 1 3HT ASP 1 12.674 -4.252 11.754 4 HA ASP 1 HA ASP 1 14.232 -4.539 13.684 5 1HB ASP 1 2HB ASP 1 16.170 -4.794 11.361 6 2HB ASP 1 1HB ASP 1 16.588 -4.826 13.074 7 H LYS 2 H LYS 2 13.046 -2.391 13.433 8 HA LYS 2 HA LYS 2 15.011 -0.267 12.766 9 1HB LYS 2 2HB LYS 2 12.841 -1.108 11.089 10 2HB LYS 2 1HB LYS 2 12.485 0.513 11.688 11 1HG LYS 2 2HG LYS 2 14.836 1.173 11.012 12 2HG LYS 2 1HG LYS 2 14.964 -0.391 10.205 13 1HD LYS 2 2HD LYS 2 13.450 0.175 8.558 14 2HD LYS 2 1HD LYS 2 12.568 1.287 9.605 15 1HE LYS 2 2HE LYS 2 14.178 3.011 9.331 16 2HE LYS 2 1HE LYS 2 15.391 1.883 8.691 17 1HZ LYS 2 1HZ LYS 2 14.306 3.095 6.895 18 2HZ LYS 2 2HZ LYS 2 12.788 2.535 7.411 19 3HZ LYS 2 3HZ LYS 2 13.940 1.442 6.808 20 H LEU 3 H LEU 3 14.434 1.784 13.765 21 HA LEU 3 HA LEU 3 12.868 1.467 16.233 22 1HB LEU 3 2HB LEU 3 13.858 3.593 16.781 23 2HB LEU 3 1HB LEU 3 15.098 2.662 15.941 24 HG LEU 3 HG LEU 3 13.577 4.027 13.959 25 1HD1 LEU 3 1HD1 LEU 3 13.397 6.213 14.646 26 2HD1 LEU 3 2HD1 LEU 3 14.767 6.090 15.749 27 3HD1 LEU 3 3HD1 LEU 3 13.197 5.437 16.217 28 1HD2 LEU 3 1HD2 LEU 3 15.742 5.009 13.430 29 2HD2 LEU 3 2HD2 LEU 3 15.989 3.330 13.910 30 3HD2 LEU 3 3HD2 LEU 3 16.345 4.634 15.044 31 H ALA 4 H ALA 4 11.066 2.887 16.776 32 HA ALA 4 HA ALA 4 9.454 3.655 14.387 33 1HB ALA 4 1HB ALA 4 8.909 3.033 17.292 34 2HB ALA 4 2HB ALA 4 8.315 2.189 15.862 35 3HB ALA 4 3HB ALA 4 7.678 3.781 16.275 36 H LEU 5 H LEU 5 8.095 5.700 14.713 37 HA LEU 5 HA LEU 5 9.869 7.893 15.601 38 1HB LEU 5 2HB LEU 5 7.257 7.658 14.090 39 2HB LEU 5 1HB LEU 5 7.949 9.221 14.526 40 HG LEU 5 HG LEU 5 10.128 7.985 13.450 41 1HD1 LEU 5 1HD1 LEU 5 8.091 7.264 11.419 42 2HD1 LEU 5 2HD1 LEU 5 8.181 6.198 12.819 43 3HD1 LEU 5 3HD1 LEU 5 9.610 6.465 11.821 44 1HD2 LEU 5 1HD2 LEU 5 9.611 9.321 11.405 45 2HD2 LEU 5 2HD2 LEU 5 9.349 10.234 12.891 46 3HD2 LEU 5 3HD2 LEU 5 7.973 9.566 12.011 47 H LYS 6 H LYS 6 9.301 6.765 17.910 48 HA LYS 6 HA LYS 6 6.768 7.867 19.015 49 1HB LYS 6 2HB LYS 6 7.225 5.578 19.545 50 2HB LYS 6 1HB LYS 6 8.902 5.939 19.957 51 1HG LYS 6 2HG LYS 6 8.366 6.690 22.044 52 2HG LYS 6 1HG LYS 6 6.870 7.445 21.496 53 1HD LYS 6 2HD LYS 6 5.629 5.596 21.945 54 2HD LYS 6 1HD LYS 6 6.868 4.502 21.328 55 1HE LYS 6 2HE LYS 6 8.039 5.549 23.627 56 2HE LYS 6 1HE LYS 6 6.341 5.316 24.090 57 1HZ LYS 6 1HZ LYS 6 6.635 3.111 22.768 58 2HZ LYS 6 2HZ LYS 6 7.167 3.205 24.378 59 3HZ LYS 6 3HZ LYS 6 8.282 3.337 23.102 60 H GLY 7 H GLY 7 6.800 9.356 20.782 61 1HA GLY 7 2HA GLY 7 8.397 10.388 22.529 62 2HA GLY 7 1HA GLY 7 9.406 10.773 21.134 63 H THR 8 H THR 8 7.719 11.742 19.275 64 HA THR 8 HA THR 8 6.032 13.819 20.600 65 HB THR 8 HB THR 8 7.190 15.501 19.112 66 HG1 THR 8 1HG THR 8 9.401 14.520 18.556 67 1HG2 THR 8 1HG2 THR 8 9.477 14.492 20.593 68 2HG2 THR 8 2HG2 THR 8 8.001 14.402 21.552 69 3HG2 THR 8 3HG2 THR 8 8.519 15.945 20.874 70 H THR 9 H THR 9 4.102 13.963 19.529 71 HA THR 9 HA THR 9 3.315 12.410 17.333 72 HB THR 9 HB THR 9 2.164 15.143 17.618 73 HG1 THR 9 1HG THR 9 1.691 13.325 19.681 74 1HG2 THR 9 1HG2 THR 9 0.185 13.382 18.137 75 2HG2 THR 9 2HG2 THR 9 1.278 12.334 17.233 76 3HG2 THR 9 3HG2 THR 9 0.670 13.819 16.499 77 H TYR 10 H TYR 10 2.575 13.437 15.140 78 HA TYR 10 HA TYR 10 4.588 15.410 14.138 79 1HB TYR 10 2HB TYR 10 4.479 12.590 13.667 80 2HB TYR 10 1HB TYR 10 4.075 13.409 12.158 81 HD1 TYR 10 1HD TYR 10 6.735 12.180 14.050 82 HD2 TYR 10 2HD TYR 10 5.598 15.613 11.732 83 HE1 TYR 10 1HE TYR 10 9.126 12.745 13.714 84 HE2 TYR 10 2HE TYR 10 7.988 16.178 11.397 85 HH TYR 10 HH TYR 10 10.335 14.396 11.533 86 H GLY 11 H GLY 11 3.887 16.408 12.070 87 1HA GLY 11 2HA GLY 11 1.052 17.007 12.071 88 2HA GLY 11 1HA GLY 11 2.225 17.583 10.885 89 H MET 12 H MET 12 -0.459 15.660 11.223 90 HA MET 12 HA MET 12 0.345 13.860 8.966 91 1HB MET 12 2HB MET 12 -1.674 12.555 9.826 92 2HB MET 12 1HB MET 12 -0.313 12.659 10.944 93 1HG MET 12 2HG MET 12 -2.264 14.874 11.137 94 2HG MET 12 1HG MET 12 -2.879 13.295 11.617 95 1HE MET 12 1HE MET 12 -1.575 12.586 14.912 96 2HE MET 12 2HE MET 12 -2.028 11.836 13.384 97 3HE MET 12 3HE MET 12 -3.055 13.086 14.080 98 H CYS 13 H CYS 13 -0.234 15.050 7.127 99 HA CYS 13 HA CYS 13 -3.131 15.596 6.796 100 1HB CYS 13 2HB CYS 13 -2.808 17.905 6.337 101 2HB CYS 13 1HB CYS 13 -1.819 17.597 7.760 102 H THR 14 H THR 14 -3.444 14.269 5.017 103 HA THR 14 HA THR 14 -2.111 14.998 2.503 104 HB THR 14 HB THR 14 -1.806 12.146 3.395 105 HG1 THR 14 1HG THR 14 0.273 13.935 3.851 106 1HG2 THR 14 1HG2 THR 14 -0.999 13.787 1.188 107 2HG2 THR 14 2HG2 THR 14 -0.730 12.061 1.427 108 3HG2 THR 14 3HG2 THR 14 0.444 13.228 2.033 109 H GLU 15 H GLU 15 -4.707 15.297 2.691 110 HA GLU 15 HA GLU 15 -6.201 12.820 2.155 111 1HB GLU 15 2HB GLU 15 -8.090 14.263 2.276 112 2HB GLU 15 1HB GLU 15 -6.941 14.945 3.427 113 1HG GLU 15 2HG GLU 15 -7.289 16.887 2.299 114 2HG GLU 15 1HG GLU 15 -6.190 16.195 1.105 115 H LYS 16 H LYS 16 -4.006 13.849 0.267 116 HA LYS 16 HA LYS 16 -5.709 14.014 -2.200 117 1HB LYS 16 2HB LYS 16 -2.915 15.118 -1.909 118 2HB LYS 16 1HB LYS 16 -4.163 15.583 -3.066 119 1HG LYS 16 2HG LYS 16 -4.547 17.303 -1.629 120 2HG LYS 16 1HG LYS 16 -5.416 16.095 -0.682 121 1HD LYS 16 2HD LYS 16 -3.391 15.614 0.613 122 2HD LYS 16 1HD LYS 16 -2.475 16.762 -0.365 123 1HE LYS 16 2HE LYS 16 -3.700 18.629 0.493 124 2HE LYS 16 1HE LYS 16 -4.936 17.574 1.209 125 1HZ LYS 16 1HZ LYS 16 -2.053 17.553 1.936 126 2HZ LYS 16 2HZ LYS 16 -3.276 16.609 2.644 127 3HZ LYS 16 3HZ LYS 16 -3.272 18.295 2.852 128 H PHE 17 H PHE 17 -5.247 11.465 -1.593 129 HA PHE 17 HA PHE 17 -2.663 10.606 -2.794 130 1HB PHE 17 2HB PHE 17 -4.309 9.787 -0.666 131 2HB PHE 17 1HB PHE 17 -4.499 8.542 -1.900 132 HD1 PHE 17 1HD PHE 17 -3.292 6.796 -0.852 133 HD2 PHE 17 2HD PHE 17 -1.459 10.629 -1.427 134 HE1 PHE 17 1HE PHE 17 -1.086 5.826 -0.249 135 HE2 PHE 17 2HE PHE 17 0.748 9.668 -0.826 136 HZ PHE 17 HZ PHE 17 0.935 7.266 -0.236 137 H SER 18 H SER 18 -2.638 9.303 -4.684 138 HA SER 18 HA SER 18 -5.275 8.998 -6.096 139 1HB SER 18 2HB SER 18 -3.388 10.808 -6.743 140 2HB SER 18 1HB SER 18 -2.745 9.424 -7.621 141 HG SER 18 HG SER 18 -4.535 9.352 -8.841 142 H PHE 19 H PHE 19 -5.514 7.028 -7.261 143 HA PHE 19 HA PHE 19 -3.628 4.882 -6.520 144 1HB PHE 19 2HB PHE 19 -5.896 4.497 -8.430 145 2HB PHE 19 1HB PHE 19 -5.384 3.479 -7.088 146 HD1 PHE 19 1HD PHE 19 -7.735 5.938 -8.167 147 HD2 PHE 19 2HD PHE 19 -5.699 4.450 -4.690 148 HE1 PHE 19 1HE PHE 19 -9.463 6.964 -6.716 149 HE2 PHE 19 2HE PHE 19 -7.426 5.479 -3.238 150 HZ PHE 19 HZ PHE 19 -9.309 6.735 -4.251 151 H ALA 20 H ALA 20 -1.740 4.999 -7.747 152 HA ALA 20 HA ALA 20 -1.917 5.614 -10.641 153 1HB ALA 20 1HB ALA 20 -0.137 6.151 -8.578 154 2HB ALA 20 2HB ALA 20 0.185 6.387 -10.296 155 3HB ALA 20 3HB ALA 20 0.684 4.893 -9.503 156 H LYS 21 H LYS 21 -1.111 2.899 -8.485 157 HA LYS 21 HA LYS 21 -1.302 1.085 -10.845 158 1HB LYS 21 2HB LYS 21 0.945 0.915 -8.827 159 2HB LYS 21 1HB LYS 21 0.839 0.131 -10.404 160 1HG LYS 21 2HG LYS 21 0.699 2.574 -11.327 161 2HG LYS 21 1HG LYS 21 1.387 3.019 -9.766 162 1HD LYS 21 2HD LYS 21 3.281 1.500 -10.149 163 2HD LYS 21 1HD LYS 21 2.587 1.009 -11.694 164 1HE LYS 21 2HE LYS 21 2.793 3.921 -11.463 165 2HE LYS 21 1HE LYS 21 4.370 3.114 -11.343 166 1HZ LYS 21 1HZ LYS 21 3.816 1.813 -13.303 167 2HZ LYS 21 2HZ LYS 21 3.754 3.472 -13.660 168 3HZ LYS 21 3HZ LYS 21 2.317 2.596 -13.431 169 H ASN 22 H ASN 22 -1.428 -1.243 -10.104 170 HA ASN 22 HA ASN 22 -3.213 -1.462 -7.776 171 1HB ASN 22 2HB ASN 22 -2.645 -2.821 -10.242 172 2HB ASN 22 1HB ASN 22 -2.519 -3.981 -8.920 173 1HD2 ASN 22 1HD2 ASN 22 -4.676 -1.112 -9.163 174 2HD2 ASN 22 2HD2 ASN 22 -6.119 -1.999 -9.046 175 HA PRO 23 HA PRO 23 -0.259 -3.003 -4.919 176 1HB PRO 23 2HB PRO 23 -1.650 -4.991 -3.652 177 2HB PRO 23 1HB PRO 23 -1.992 -3.266 -3.407 178 1HG PRO 23 2HG PRO 23 -3.421 -5.258 -5.091 179 2HG PRO 23 1HG PRO 23 -4.070 -3.935 -4.110 180 1HD PRO 23 2HD PRO 23 -3.789 -3.812 -6.825 181 2HD PRO 23 1HD PRO 23 -3.765 -2.386 -5.764 182 H ALA 24 H ALA 24 1.443 -4.464 -5.012 183 HA ALA 24 HA ALA 24 1.003 -7.000 -6.560 184 1HB ALA 24 1HB ALA 24 3.667 -5.670 -6.516 185 2HB ALA 24 2HB ALA 24 2.392 -4.848 -7.414 186 3HB ALA 24 3HB ALA 24 2.850 -6.497 -7.841 187 H ASP 25 H ASP 25 2.725 -8.675 -6.014 188 HA ASP 25 HA ASP 25 3.278 -8.610 -3.075 189 1HB ASP 25 2HB ASP 25 1.876 -10.429 -3.822 190 2HB ASP 25 1HB ASP 25 2.988 -10.815 -5.136 191 H THR 26 H THR 26 5.391 -8.569 -2.390 192 HA THR 26 HA THR 26 7.534 -8.846 -4.464 193 HB THR 26 HB THR 26 8.772 -7.625 -2.458 194 HG1 THR 26 1HG THR 26 6.092 -6.845 -2.028 195 1HG2 THR 26 1HG2 THR 26 7.201 -5.527 -3.402 196 2HG2 THR 26 2HG2 THR 26 7.130 -6.727 -4.692 197 3HG2 THR 26 3HG2 THR 26 8.690 -6.122 -4.135 198 H GLY 27 H GLY 27 6.298 -10.135 -1.463 199 1HA GLY 27 2HA GLY 27 8.278 -12.316 -1.598 200 2HA GLY 27 1HA GLY 27 8.308 -11.347 -0.125 201 H HIS 28 H HIS 28 7.030 -12.082 1.496 202 HA HIS 28 HA HIS 28 4.588 -13.665 0.764 203 1HB HIS 28 2HB HIS 28 5.220 -15.016 2.851 204 2HB HIS 28 1HB HIS 28 6.277 -15.219 1.452 205 HD1 HIS 28 1HD HIS 28 8.685 -14.394 1.649 206 HD2 HIS 28 2HD HIS 28 6.359 -13.390 4.960 207 HE1 HIS 28 1HE HIS 28 10.282 -13.506 3.404 208 H GLY 29 H GLY 29 3.297 -11.737 1.188 209 1HA GLY 29 2HA GLY 29 1.726 -10.984 2.912 210 2HA GLY 29 1HA GLY 29 3.009 -11.184 4.106 211 H THR 30 H THR 30 4.053 -9.791 1.165 212 HA THR 30 HA THR 30 3.961 -7.062 2.416 213 HB THR 30 HB THR 30 6.175 -6.736 1.392 214 HG1 THR 30 1HG THR 30 5.802 -9.398 0.488 215 1HG2 THR 30 1HG2 THR 30 5.644 -8.257 3.578 216 2HG2 THR 30 2HG2 THR 30 7.276 -7.863 3.041 217 3HG2 THR 30 3HG2 THR 30 6.554 -9.411 2.603 218 H VAL 31 H VAL 31 2.470 -5.903 1.226 219 HA VAL 31 HA VAL 31 2.310 -6.366 -1.699 220 HB VAL 31 HB VAL 31 0.456 -4.855 0.158 221 1HG1 VAL 31 1HG1 VAL 31 -1.007 -4.722 -1.617 222 2HG1 VAL 31 2HG1 VAL 31 -0.422 -6.217 -2.348 223 3HG1 VAL 31 3HG1 VAL 31 0.507 -4.728 -2.521 224 1HG2 VAL 31 1HG2 VAL 31 0.475 -7.077 0.998 225 2HG2 VAL 31 2HG2 VAL 31 0.596 -7.773 -0.618 226 3HG2 VAL 31 3HG2 VAL 31 -0.913 -7.030 -0.089 227 H VAL 32 H VAL 32 2.432 -4.547 -3.139 228 HA VAL 32 HA VAL 32 3.474 -2.020 -1.905 229 HB VAL 32 HB VAL 32 4.617 -2.246 -4.434 230 1HG1 VAL 32 1HG1 VAL 32 6.642 -2.312 -3.256 231 2HG1 VAL 32 2HG1 VAL 32 5.975 -3.326 -1.976 232 3HG1 VAL 32 3HG1 VAL 32 5.535 -1.621 -2.071 233 1HG2 VAL 32 1HG2 VAL 32 5.570 -4.497 -4.530 234 2HG2 VAL 32 2HG2 VAL 32 3.810 -4.606 -4.527 235 3HG2 VAL 32 3HG2 VAL 32 4.717 -4.947 -3.053 236 H ILE 33 H ILE 33 2.497 -0.174 -2.666 237 HA ILE 33 HA ILE 33 0.857 -0.347 -5.171 238 HB ILE 33 HB ILE 33 -0.467 -0.616 -3.035 239 1HG1 ILE 33 2HG1 ILE 33 -1.209 2.045 -4.194 240 2HG1 ILE 33 1HG1 ILE 33 -1.174 0.645 -5.269 241 1HG2 ILE 33 1HG2 ILE 33 -0.758 1.510 -1.700 242 2HG2 ILE 33 2HG2 ILE 33 0.619 2.176 -2.579 243 3HG2 ILE 33 3HG2 ILE 33 0.834 0.766 -1.542 244 1HD1 ILE 33 1HD1 ILE 33 -3.409 0.794 -4.392 245 2HD1 ILE 33 2HD1 ILE 33 -2.811 0.984 -2.744 246 3HD1 ILE 33 3HD1 ILE 33 -2.628 -0.560 -3.576 247 H GLU 34 H GLU 34 0.748 1.674 -6.319 248 HA GLU 34 HA GLU 34 2.666 3.746 -5.313 249 1HB GLU 34 2HB GLU 34 2.757 2.142 -7.584 250 2HB GLU 34 1HB GLU 34 2.148 3.683 -8.192 251 1HG GLU 34 2HG GLU 34 4.061 4.852 -7.531 252 2HG GLU 34 1HG GLU 34 4.490 3.654 -6.310 253 H LEU 35 H LEU 35 1.276 5.312 -4.474 254 HA LEU 35 HA LEU 35 -0.993 6.205 -6.214 255 1HB LEU 35 2HB LEU 35 -0.552 6.826 -3.286 256 2HB LEU 35 1HB LEU 35 -2.067 6.869 -4.188 257 HG LEU 35 HG LEU 35 -1.532 4.313 -4.597 258 1HD1 LEU 35 1HD1 LEU 35 0.404 5.181 -2.564 259 2HD1 LEU 35 2HD1 LEU 35 0.403 3.732 -3.571 260 3HD1 LEU 35 3HD1 LEU 35 -0.542 3.773 -2.082 261 1HD2 LEU 35 1HD2 LEU 35 -3.067 3.820 -2.895 262 2HD2 LEU 35 2HD2 LEU 35 -3.372 5.535 -3.171 263 3HD2 LEU 35 3HD2 LEU 35 -2.388 5.024 -1.800 264 H SER 36 H SER 36 -0.961 8.344 -6.938 265 HA SER 36 HA SER 36 1.493 9.870 -6.532 266 1HB SER 36 2HB SER 36 -0.805 11.037 -7.979 267 2HB SER 36 1HB SER 36 0.866 10.845 -8.503 268 HG SER 36 HG SER 36 -0.516 9.475 -9.673 269 H TYR 37 H TYR 37 1.678 11.396 -4.918 270 HA TYR 37 HA TYR 37 -0.791 12.180 -3.490 271 1HB TYR 37 2HB TYR 37 0.946 11.584 -2.027 272 2HB TYR 37 1HB TYR 37 2.181 12.336 -3.035 273 HD1 TYR 37 1HD TYR 37 3.136 14.253 -2.132 274 HD2 TYR 37 2HD TYR 37 -1.007 13.419 -1.360 275 HE1 TYR 37 1HE TYR 37 2.965 16.335 -0.796 276 HE2 TYR 37 2HE TYR 37 -1.176 15.499 -0.023 277 HH TYR 37 HH TYR 37 0.861 17.955 -0.181 278 H SER 38 H SER 38 -1.797 13.726 -4.835 279 HA SER 38 HA SER 38 -0.200 15.962 -5.897 280 1HB SER 38 2HB SER 38 -1.883 14.676 -7.249 281 2HB SER 38 1HB SER 38 -3.141 15.286 -6.177 282 HG SER 38 HG SER 38 -2.472 17.408 -6.788 283 H GLY 39 H GLY 39 0.109 16.646 -3.504 284 1HA GLY 39 2HA GLY 39 -2.212 18.356 -2.705 285 2HA GLY 39 1HA GLY 39 -1.231 17.500 -1.515 286 H SER 40 H SER 40 -1.698 20.491 -2.639 287 HA SER 40 HA SER 40 1.086 21.339 -3.050 288 1HB SER 40 2HB SER 40 -1.535 22.276 -3.582 289 2HB SER 40 1HB SER 40 -0.800 23.459 -2.504 290 HG SER 40 HG SER 40 0.115 24.119 -4.286 291 H ASP 41 H ASP 41 -0.128 20.180 -0.375 292 HA ASP 41 HA ASP 41 0.421 22.436 1.467 293 1HB ASP 41 2HB ASP 41 -0.645 19.619 1.668 294 2HB ASP 41 1HB ASP 41 -0.200 20.520 3.118 295 H GLY 42 H GLY 42 1.976 19.586 0.186 296 1HA GLY 42 2HA GLY 42 4.446 19.492 0.352 297 2HA GLY 42 1HA GLY 42 4.295 20.116 1.995 298 HA PRO 43 HA PRO 43 4.587 15.532 2.254 299 1HB PRO 43 2HB PRO 43 6.489 15.505 4.221 300 2HB PRO 43 1HB PRO 43 6.884 15.585 2.492 301 1HG PRO 43 2HG PRO 43 6.851 17.745 4.527 302 2HG PRO 43 1HG PRO 43 7.944 17.497 3.158 303 1HD PRO 43 2HD PRO 43 5.873 19.300 3.172 304 2HD PRO 43 1HD PRO 43 6.567 18.585 1.701 305 H CYS 44 H CYS 44 3.667 14.249 3.932 306 HA CYS 44 HA CYS 44 3.116 15.287 6.597 307 1HB CYS 44 2HB CYS 44 1.437 16.023 4.404 308 2HB CYS 44 1HB CYS 44 0.529 14.912 5.426 309 H LYS 45 H LYS 45 1.807 13.675 7.844 310 HA LYS 45 HA LYS 45 2.432 10.941 7.130 311 1HB LYS 45 2HB LYS 45 0.428 12.016 9.143 312 2HB LYS 45 1HB LYS 45 1.240 10.452 9.195 313 1HG LYS 45 2HG LYS 45 2.737 13.083 9.249 314 2HG LYS 45 1HG LYS 45 2.234 12.235 10.710 315 1HD LYS 45 2HD LYS 45 3.915 10.742 10.528 316 2HD LYS 45 1HD LYS 45 3.559 10.450 8.826 317 1HE LYS 45 2HE LYS 45 4.904 12.296 8.119 318 2HE LYS 45 1HE LYS 45 5.011 12.938 9.770 319 1HZ LYS 45 1HZ LYS 45 6.954 11.756 9.659 320 2HZ LYS 45 2HZ LYS 45 6.322 10.583 8.604 321 3HZ LYS 45 3HZ LYS 45 5.916 10.554 10.255 322 H ILE 46 H ILE 46 1.328 9.828 5.540 323 HA ILE 46 HA ILE 46 -1.220 10.717 4.494 324 HB ILE 46 HB ILE 46 -0.041 7.962 4.138 325 1HG1 ILE 46 2HG1 ILE 46 1.912 9.340 3.936 326 2HG1 ILE 46 1HG1 ILE 46 1.357 9.047 2.292 327 1HG2 ILE 46 1HG2 ILE 46 -1.233 9.884 2.125 328 2HG2 ILE 46 2HG2 ILE 46 -2.209 8.736 3.042 329 3HG2 ILE 46 3HG2 ILE 46 -0.966 8.151 1.934 330 1HD1 ILE 46 1HD1 ILE 46 1.871 11.534 3.370 331 2HD1 ILE 46 2HD1 ILE 46 0.122 11.409 3.518 332 3HD1 ILE 46 3HD1 ILE 46 0.886 11.231 1.941 333 HA PRO 47 HA PRO 47 -3.467 8.542 7.710 334 1HB PRO 47 2HB PRO 47 -5.828 9.845 7.282 335 2HB PRO 47 1HB PRO 47 -4.491 10.560 8.202 336 1HG PRO 47 2HG PRO 47 -5.397 11.119 5.444 337 2HG PRO 47 1HG PRO 47 -4.633 12.193 6.623 338 1HD PRO 47 2HD PRO 47 -3.368 10.974 4.456 339 2HD PRO 47 1HD PRO 47 -2.560 11.723 5.849 340 H ILE 48 H ILE 48 -3.465 6.502 6.528 341 HA ILE 48 HA ILE 48 -5.909 6.117 4.832 342 HB ILE 48 HB ILE 48 -3.079 5.105 4.405 343 1HG1 ILE 48 2HG1 ILE 48 -4.737 6.774 2.517 344 2HG1 ILE 48 1HG1 ILE 48 -3.791 7.534 3.799 345 1HG2 ILE 48 1HG2 ILE 48 -5.719 4.367 3.185 346 2HG2 ILE 48 2HG2 ILE 48 -4.349 3.333 3.595 347 3HG2 ILE 48 3HG2 ILE 48 -4.279 4.366 2.167 348 1HD1 ILE 48 1HD1 ILE 48 -2.589 5.557 1.851 349 2HD1 ILE 48 2HD1 ILE 48 -1.742 6.655 2.939 350 3HD1 ILE 48 3HD1 ILE 48 -2.613 7.294 1.545 351 H VAL 49 H VAL 49 -6.878 4.039 5.037 352 HA VAL 49 HA VAL 49 -5.787 2.317 7.242 353 HB VAL 49 HB VAL 49 -8.152 1.926 7.843 354 1HG1 VAL 49 1HG1 VAL 49 -7.050 3.802 8.926 355 2HG1 VAL 49 2HG1 VAL 49 -8.707 4.273 8.542 356 3HG1 VAL 49 3HG1 VAL 49 -7.374 4.841 7.538 357 1HG2 VAL 49 1HG2 VAL 49 -9.022 2.198 5.506 358 2HG2 VAL 49 2HG2 VAL 49 -8.769 3.937 5.656 359 3HG2 VAL 49 3HG2 VAL 49 -9.939 3.123 6.695 360 H SER 50 H SER 50 -6.365 0.001 6.991 361 HA SER 50 HA SER 50 -7.106 -0.761 4.191 362 1HB SER 50 2HB SER 50 -4.576 -0.961 5.530 363 2HB SER 50 1HB SER 50 -5.190 -2.588 5.257 364 HG SER 50 HG SER 50 -5.444 -0.754 3.177 365 H VAL 51 H VAL 51 -9.060 -1.773 4.572 366 HA VAL 51 HA VAL 51 -9.110 -3.874 6.714 367 HB VAL 51 HB VAL 51 -11.548 -3.252 6.888 368 1HG1 VAL 51 1HG1 VAL 51 -10.177 -0.672 7.327 369 2HG1 VAL 51 2HG1 VAL 51 -9.362 -2.067 8.033 370 3HG1 VAL 51 3HG1 VAL 51 -11.030 -1.703 8.475 371 1HG2 VAL 51 1HG2 VAL 51 -12.353 -1.267 5.790 372 2HG2 VAL 51 2HG2 VAL 51 -11.590 -2.260 4.547 373 3HG2 VAL 51 3HG2 VAL 51 -10.738 -0.864 5.206 374 H ALA 52 H ALA 52 -10.457 -5.733 6.199 375 HA ALA 52 HA ALA 52 -10.189 -6.790 3.593 376 1HB ALA 52 1HB ALA 52 -10.670 -8.433 5.117 377 2HB ALA 52 2HB ALA 52 -12.336 -8.117 4.633 378 3HB ALA 52 3HB ALA 52 -11.683 -7.364 6.087 379 H SER 53 H SER 53 -11.993 -7.291 2.047 380 HA SER 53 HA SER 53 -13.377 -4.972 1.169 381 1HB SER 53 2HB SER 53 -13.032 -7.740 0.468 382 2HB SER 53 1HB SER 53 -14.730 -7.309 0.285 383 HG SER 53 HG SER 53 -13.863 -5.385 -0.845 384 H LEU 54 H LEU 54 -15.117 -3.990 2.096 385 HA LEU 54 HA LEU 54 -17.314 -3.813 2.995 386 1HB LEU 54 2HB LEU 54 -17.153 -6.386 1.947 387 2HB LEU 54 1HB LEU 54 -17.654 -6.651 3.619 388 HG LEU 54 HG LEU 54 -19.637 -6.343 2.234 389 1HD1 LEU 54 1HD1 LEU 54 -19.238 -3.726 3.682 390 2HD1 LEU 54 2HD1 LEU 54 -19.385 -5.245 4.566 391 3HD1 LEU 54 3HD1 LEU 54 -20.708 -4.689 3.542 392 1HD2 LEU 54 1HD2 LEU 54 -19.416 -3.597 1.505 393 2HD2 LEU 54 2HD2 LEU 54 -19.533 -4.993 0.433 394 3HD2 LEU 54 3HD2 LEU 54 -17.952 -4.407 0.948 395 H ASN 55 H ASN 55 -14.763 -3.869 4.561 396 HA ASN 55 HA ASN 55 -15.958 -4.600 7.216 397 1HB ASN 55 2HB ASN 55 -13.111 -4.892 6.200 398 2HB ASN 55 1HB ASN 55 -13.614 -5.209 7.860 399 1HD2 ASN 55 1HD2 ASN 55 -15.303 -6.969 8.145 400 2HD2 ASN 55 2HD2 ASN 55 -15.344 -8.243 7.026 401 H ASP 56 H ASP 56 -16.615 -2.298 7.326 402 HA ASP 56 HA ASP 56 -14.338 -0.376 7.614 403 1HB ASP 56 2HB ASP 56 -16.820 -0.307 6.302 404 2HB ASP 56 1HB ASP 56 -17.030 0.724 7.718 405 H MET 57 H MET 57 -15.884 -2.434 9.563 406 HA MET 57 HA MET 57 -16.222 -0.468 11.802 407 1HB MET 57 2HB MET 57 -17.303 -3.288 11.549 408 2HB MET 57 1HB MET 57 -17.820 -2.044 12.688 409 1HG MET 57 2HG MET 57 -18.472 -0.640 10.663 410 2HG MET 57 1HG MET 57 -18.227 -2.091 9.691 411 1HE MET 57 1HE MET 57 -21.871 -1.499 9.703 412 2HE MET 57 2HE MET 57 -20.426 -0.497 9.592 413 3HE MET 57 3HE MET 57 -21.491 -0.343 10.986 414 H THR 58 H THR 58 -14.359 -3.100 10.620 415 HA THR 58 HA THR 58 -12.932 -3.267 13.246 416 HB THR 58 HB THR 58 -12.724 -5.799 12.294 417 HG1 THR 58 1HG THR 58 -14.461 -6.354 11.168 418 1HG2 THR 58 1HG2 THR 58 -15.235 -5.678 13.636 419 2HG2 THR 58 2HG2 THR 58 -14.202 -4.422 14.318 420 3HG2 THR 58 3HG2 THR 58 -13.662 -6.101 14.311 421 HA PRO 59 HA PRO 59 -9.643 -2.491 10.314 422 1HB PRO 59 2HB PRO 59 -7.667 -2.244 12.191 423 2HB PRO 59 1HB PRO 59 -8.824 -0.947 11.834 424 1HG PRO 59 2HG PRO 59 -8.792 -2.887 14.088 425 2HG PRO 59 1HG PRO 59 -9.241 -1.174 14.078 426 1HD PRO 59 2HD PRO 59 -11.056 -3.218 14.086 427 2HD PRO 59 1HD PRO 59 -11.384 -1.607 13.412 428 H VAL 60 H VAL 60 -8.383 -4.026 9.283 429 HA VAL 60 HA VAL 60 -7.326 -6.317 10.873 430 HB VAL 60 HB VAL 60 -8.224 -7.840 9.087 431 1HG1 VAL 60 1HG1 VAL 60 -10.137 -8.113 10.289 432 2HG1 VAL 60 2HG1 VAL 60 -10.651 -6.445 10.027 433 3HG1 VAL 60 3HG1 VAL 60 -9.483 -6.819 11.294 434 1HG2 VAL 60 1HG2 VAL 60 -8.952 -5.224 7.974 435 2HG2 VAL 60 2HG2 VAL 60 -10.300 -6.361 8.003 436 3HG2 VAL 60 3HG2 VAL 60 -8.807 -6.785 7.166 437 H GLY 61 H GLY 61 -7.287 -4.406 7.927 438 1HA GLY 61 2HA GLY 61 -5.002 -5.735 6.747 439 2HA GLY 61 1HA GLY 61 -5.631 -4.152 6.276 440 H ARG 62 H ARG 62 -2.790 -5.101 6.901 441 HA ARG 62 HA ARG 62 -2.222 -3.081 9.053 442 1HB ARG 62 2HB ARG 62 -0.674 -5.593 8.355 443 2HB ARG 62 1HB ARG 62 -0.438 -4.561 9.766 444 1HG ARG 62 2HG ARG 62 -3.054 -5.116 10.082 445 2HG ARG 62 1HG ARG 62 -2.560 -6.577 9.227 446 1HD ARG 62 2HD ARG 62 -2.261 -7.037 11.577 447 2HD ARG 62 1HD ARG 62 -0.636 -6.741 10.929 448 HE ARG 62 HE ARG 62 -1.437 -4.219 11.635 449 1HH1 ARG 62 1HH2 ARG 62 0.363 -6.318 13.191 450 2HH1 ARG 62 2HH2 ARG 62 -0.250 -6.064 14.791 451 1HH2 ARG 62 1HH1 ARG 62 -3.032 -4.285 13.729 452 2HH2 ARG 62 2HH1 ARG 62 -2.171 -4.910 15.096 453 H LEU 63 H LEU 63 -0.193 -1.913 8.804 454 HA LEU 63 HA LEU 63 0.557 -1.532 5.949 455 1HB LEU 63 2HB LEU 63 0.429 0.036 8.439 456 2HB LEU 63 1HB LEU 63 1.877 0.350 7.482 457 HG LEU 63 HG LEU 63 -0.545 0.181 5.845 458 1HD1 LEU 63 1HD1 LEU 63 -0.734 2.770 6.968 459 2HD1 LEU 63 2HD1 LEU 63 -0.690 1.648 8.327 460 3HD1 LEU 63 3HD1 LEU 63 -1.920 1.470 7.076 461 1HD2 LEU 63 1HD2 LEU 63 1.207 1.151 4.708 462 2HD2 LEU 63 2HD2 LEU 63 1.898 1.860 6.168 463 3HD2 LEU 63 3HD2 LEU 63 0.508 2.618 5.393 464 H VAL 64 H VAL 64 2.432 -2.462 5.216 465 HA VAL 64 HA VAL 64 4.143 -4.130 6.671 466 HB VAL 64 HB VAL 64 4.461 -2.414 4.207 467 1HG1 VAL 64 1HG1 VAL 64 6.707 -2.605 4.450 468 2HG1 VAL 64 2HG1 VAL 64 6.468 -4.310 4.065 469 3HG1 VAL 64 3HG1 VAL 64 6.548 -3.789 5.749 470 1HG2 VAL 64 1HG2 VAL 64 4.272 -4.550 3.066 471 2HG2 VAL 64 2HG2 VAL 64 2.950 -4.427 4.226 472 3HG2 VAL 64 3HG2 VAL 64 4.358 -5.422 4.596 473 H THR 65 H THR 65 4.035 -0.649 6.632 474 HA THR 65 HA THR 65 6.406 -0.601 8.459 475 HB THR 65 HB THR 65 6.822 0.059 6.003 476 HG1 THR 65 1HG THR 65 7.933 0.801 8.066 477 1HG2 THR 65 1HG2 THR 65 4.534 1.522 6.334 478 2HG2 THR 65 2HG2 THR 65 5.738 1.830 5.084 479 3HG2 THR 65 3HG2 THR 65 5.773 2.751 6.586 480 H VAL 66 H VAL 66 6.455 1.597 9.651 481 HA VAL 66 HA VAL 66 4.133 2.040 11.153 482 HB VAL 66 HB VAL 66 5.301 4.189 11.705 483 1HG1 VAL 66 1HG1 VAL 66 7.129 3.145 12.760 484 2HG1 VAL 66 2HG1 VAL 66 7.355 2.005 11.433 485 3HG1 VAL 66 3HG1 VAL 66 5.985 1.823 12.529 486 1HG2 VAL 66 1HG2 VAL 66 6.753 3.424 9.204 487 2HG2 VAL 66 2HG2 VAL 66 7.657 4.241 10.479 488 3HG2 VAL 66 3HG2 VAL 66 6.249 5.021 9.759 489 H ASN 67 H ASN 67 3.290 4.595 11.109 490 HA ASN 67 HA ASN 67 1.349 4.827 9.131 491 1HB ASN 67 2HB ASN 67 1.614 7.351 9.666 492 2HB ASN 67 1HB ASN 67 1.292 6.266 11.019 493 1HD2 ASN 67 1HD2 ASN 67 2.423 8.293 12.119 494 2HD2 ASN 67 2HD2 ASN 67 4.107 8.182 12.291 495 HA PRO 68 HA PRO 68 3.795 5.559 5.501 496 1HB PRO 68 2HB PRO 68 1.705 6.077 3.812 497 2HB PRO 68 1HB PRO 68 2.135 4.439 4.343 498 1HG PRO 68 2HG PRO 68 -0.026 6.237 5.318 499 2HG PRO 68 1HG PRO 68 -0.041 4.485 5.071 500 1HD PRO 68 2HD PRO 68 0.234 5.661 7.517 501 2HD PRO 68 1HD PRO 68 0.886 4.056 7.118 502 H PHE 69 H PHE 69 4.850 7.483 5.148 503 HA PHE 69 HA PHE 69 3.241 9.998 5.032 504 1HB PHE 69 2HB PHE 69 5.547 10.819 6.146 505 2HB PHE 69 1HB PHE 69 4.189 10.265 7.118 506 HD1 PHE 69 1HD PHE 69 4.766 8.786 8.822 507 HD2 PHE 69 2HD PHE 69 6.971 8.690 5.137 508 HE1 PHE 69 1HE PHE 69 6.179 6.953 9.713 509 HE2 PHE 69 2HE PHE 69 8.381 6.855 6.028 510 HZ PHE 69 HZ PHE 69 7.986 5.987 8.316 511 H VAL 70 H VAL 70 4.288 11.674 3.715 512 HA VAL 70 HA VAL 70 6.328 10.558 1.815 513 HB VAL 70 HB VAL 70 5.017 12.808 0.693 514 1HG1 VAL 70 1HG1 VAL 70 5.813 10.376 -0.131 515 2HG1 VAL 70 2HG1 VAL 70 4.649 11.344 -1.037 516 3HG1 VAL 70 3HG1 VAL 70 4.086 10.058 0.031 517 1HG2 VAL 70 1HG2 VAL 70 3.091 10.870 2.017 518 2HG2 VAL 70 2HG2 VAL 70 2.637 12.078 0.814 519 3HG2 VAL 70 3HG2 VAL 70 3.256 12.587 2.385 520 H ALA 71 H ALA 71 7.570 11.518 3.929 521 HA ALA 71 HA ALA 71 7.910 14.400 4.014 522 1HB ALA 71 1HB ALA 71 9.991 13.554 5.367 523 2HB ALA 71 2HB ALA 71 9.259 11.963 5.155 524 3HB ALA 71 3HB ALA 71 8.376 13.234 5.999 525 H THR 72 H THR 72 8.210 14.049 1.397 526 HA THR 72 HA THR 72 11.145 14.377 0.957 527 HB THR 72 HB THR 72 9.379 12.734 -0.868 528 HG1 THR 72 1HG THR 72 10.715 11.020 0.343 529 1HG2 THR 72 1HG2 THR 72 11.430 11.956 -1.776 530 2HG2 THR 72 2HG2 THR 72 12.358 12.568 -0.407 531 3HG2 THR 72 3HG2 THR 72 11.655 13.693 -1.569 532 H SER 73 H SER 73 11.617 15.654 -0.956 533 HA SER 73 HA SER 73 9.556 17.640 -1.576 534 1HB SER 73 2HB SER 73 11.781 17.929 -3.276 535 2HB SER 73 1HB SER 73 11.510 18.766 -1.750 536 HG SER 73 HG SER 73 13.240 17.707 -1.173 537 H SER 74 H SER 74 10.242 14.567 -2.751 538 HA SER 74 HA SER 74 9.180 15.233 -5.478 539 1HB SER 74 2HB SER 74 10.291 12.962 -5.987 540 2HB SER 74 1HB SER 74 11.371 14.308 -5.631 541 HG SER 74 HG SER 74 11.892 13.409 -3.776 542 H ALA 75 H ALA 75 7.864 14.450 -2.716 543 HA ALA 75 HA ALA 75 6.570 11.887 -3.297 544 1HB ALA 75 1HB ALA 75 6.710 13.911 -1.164 545 2HB ALA 75 2HB ALA 75 6.562 12.158 -1.037 546 3HB ALA 75 3HB ALA 75 5.128 13.147 -1.311 547 H ASN 76 H ASN 76 6.237 14.720 -4.833 548 HA ASN 76 HA ASN 76 3.315 14.946 -4.803 549 1HB ASN 76 2HB ASN 76 5.344 16.308 -6.589 550 2HB ASN 76 1HB ASN 76 3.737 16.891 -6.153 551 1HD2 ASN 76 1HD2 ASN 76 4.135 15.991 -3.281 552 2HD2 ASN 76 2HD2 ASN 76 5.166 17.155 -2.600 553 H SER 77 H SER 77 4.978 12.548 -5.890 554 HA SER 77 HA SER 77 3.617 12.450 -8.552 555 1HB SER 77 2HB SER 77 5.613 11.304 -9.384 556 2HB SER 77 1HB SER 77 6.093 12.831 -8.648 557 HG SER 77 HG SER 77 6.515 11.605 -6.716 558 H LYS 78 H LYS 78 3.951 9.858 -9.198 559 HA LYS 78 HA LYS 78 2.173 8.429 -7.469 560 1HB LYS 78 2HB LYS 78 2.986 6.488 -8.916 561 2HB LYS 78 1HB LYS 78 2.376 7.883 -9.809 562 1HG LYS 78 2HG LYS 78 4.416 8.368 -10.683 563 2HG LYS 78 1HG LYS 78 5.249 8.024 -9.167 564 1HD LYS 78 2HD LYS 78 5.153 5.637 -9.585 565 2HD LYS 78 1HD LYS 78 4.153 5.888 -11.017 566 1HE LYS 78 2HE LYS 78 6.233 7.462 -11.696 567 2HE LYS 78 1HE LYS 78 7.086 6.289 -10.674 568 1HZ LYS 78 1HZ LYS 78 6.928 4.833 -12.327 569 2HZ LYS 78 2HZ LYS 78 6.003 5.909 -13.260 570 3HZ LYS 78 3HZ LYS 78 5.240 4.856 -12.166 571 H VAL 79 H VAL 79 3.149 8.582 -5.328 572 HA VAL 79 HA VAL 79 5.822 7.587 -4.808 573 HB VAL 79 HB VAL 79 5.046 7.889 -2.459 574 1HG1 VAL 79 1HG1 VAL 79 5.507 10.064 -2.787 575 2HG1 VAL 79 2HG1 VAL 79 3.891 10.321 -3.443 576 3HG1 VAL 79 3HG1 VAL 79 5.212 9.850 -4.512 577 1HG2 VAL 79 1HG2 VAL 79 2.848 7.974 -1.895 578 2HG2 VAL 79 2HG2 VAL 79 2.570 7.262 -3.484 579 3HG2 VAL 79 3HG2 VAL 79 2.450 9.008 -3.267 580 H LEU 80 H LEU 80 5.920 5.702 -3.015 581 HA LEU 80 HA LEU 80 3.932 3.576 -3.735 582 1HB LEU 80 2HB LEU 80 6.220 3.575 -4.941 583 2HB LEU 80 1HB LEU 80 6.889 3.090 -3.383 584 HG LEU 80 HG LEU 80 4.505 1.564 -4.193 585 1HD1 LEU 80 1HD1 LEU 80 5.520 0.311 -5.949 586 2HD1 LEU 80 2HD1 LEU 80 7.096 1.051 -5.664 587 3HD1 LEU 80 3HD1 LEU 80 5.789 2.004 -6.369 588 1HD2 LEU 80 1HD2 LEU 80 5.510 0.485 -2.455 589 2HD2 LEU 80 2HD2 LEU 80 7.078 1.226 -2.782 590 3HD2 LEU 80 3HD2 LEU 80 6.560 -0.186 -3.703 591 H VAL 81 H VAL 81 3.162 2.483 -1.975 592 HA VAL 81 HA VAL 81 4.646 2.737 0.619 593 HB VAL 81 HB VAL 81 1.677 2.343 0.444 594 1HG1 VAL 81 1HG1 VAL 81 3.655 3.664 2.293 595 2HG1 VAL 81 2HG1 VAL 81 2.492 2.387 2.653 596 3HG1 VAL 81 3HG1 VAL 81 1.935 4.040 2.394 597 1HG2 VAL 81 1HG2 VAL 81 1.558 4.157 -0.949 598 2HG2 VAL 81 2HG2 VAL 81 3.189 4.696 -0.550 599 3HG2 VAL 81 3HG2 VAL 81 1.849 5.056 0.539 600 H GLU 82 H GLU 82 3.702 0.882 2.171 601 HA GLU 82 HA GLU 82 3.390 -1.639 0.578 602 1HB GLU 82 2HB GLU 82 5.291 -0.933 2.821 603 2HB GLU 82 1HB GLU 82 4.932 -2.608 2.401 604 1HG GLU 82 2HG GLU 82 5.932 -2.439 0.300 605 2HG GLU 82 1HG GLU 82 5.735 -0.687 0.237 606 H MET 83 H MET 83 1.966 -3.147 1.496 607 HA MET 83 HA MET 83 0.946 -2.677 4.251 608 1HB MET 83 2HB MET 83 -0.332 -1.860 1.820 609 2HB MET 83 1HB MET 83 -1.283 -3.163 2.535 610 1HG MET 83 2HG MET 83 -1.668 -1.973 4.516 611 2HG MET 83 1HG MET 83 -0.281 -0.915 4.263 612 1HE MET 83 1HE MET 83 -2.871 -0.210 5.264 613 2HE MET 83 2HE MET 83 -3.860 0.871 4.287 614 3HE MET 83 3HE MET 83 -2.241 1.369 4.773 615 H GLU 84 H GLU 84 0.273 -4.614 5.222 616 HA GLU 84 HA GLU 84 0.474 -7.063 3.560 617 1HB GLU 84 2HB GLU 84 0.906 -7.995 5.984 618 2HB GLU 84 1HB GLU 84 2.200 -7.164 5.130 619 1HG GLU 84 2HG GLU 84 2.028 -5.266 6.446 620 2HG GLU 84 1HG GLU 84 0.318 -5.533 6.789 621 HA PRO 85 HA PRO 85 -3.853 -6.679 5.270 622 1HB PRO 85 2HB PRO 85 -5.155 -6.862 2.871 623 2HB PRO 85 1HB PRO 85 -4.615 -5.318 3.558 624 1HG PRO 85 2HG PRO 85 -3.373 -6.975 1.424 625 2HG PRO 85 1HG PRO 85 -3.500 -5.215 1.556 626 1HD PRO 85 2HD PRO 85 -1.226 -6.618 2.130 627 2HD PRO 85 1HD PRO 85 -1.631 -5.049 2.861 628 HA PRO 86 HA PRO 86 -4.446 -11.026 5.005 629 1HB PRO 86 2HB PRO 86 -7.169 -11.252 5.185 630 2HB PRO 86 1HB PRO 86 -6.141 -10.805 6.562 631 1HG PRO 86 2HG PRO 86 -7.806 -9.078 4.804 632 2HG PRO 86 1HG PRO 86 -7.514 -8.968 6.546 633 1HD PRO 86 2HD PRO 86 -6.277 -7.380 4.698 634 2HD PRO 86 1HD PRO 86 -5.576 -7.789 6.279 635 H PHE 87 H PHE 87 -4.702 -12.575 3.376 636 HA PHE 87 HA PHE 87 -5.007 -11.859 0.675 637 1HB PHE 87 2HB PHE 87 -5.926 -14.544 1.651 638 2HB PHE 87 1HB PHE 87 -4.852 -14.154 0.310 639 HD1 PHE 87 1HD PHE 87 -5.018 -15.257 3.683 640 HD2 PHE 87 2HD PHE 87 -2.569 -13.037 0.943 641 HE1 PHE 87 1HE PHE 87 -3.061 -15.592 5.164 642 HE2 PHE 87 2HE PHE 87 -0.609 -13.374 2.420 643 HZ PHE 87 HZ PHE 87 -0.852 -14.654 4.532 644 H GLY 88 H GLY 88 -6.778 -11.560 -0.663 645 1HA GLY 88 2HA GLY 88 -9.142 -12.294 -1.168 646 2HA GLY 88 1HA GLY 88 -9.475 -12.029 0.545 647 H ASP 89 H ASP 89 -11.005 -10.676 -1.309 648 HA ASP 89 HA ASP 89 -10.139 -8.160 -2.220 649 1HB ASP 89 2HB ASP 89 -12.811 -8.884 -0.972 650 2HB ASP 89 1HB ASP 89 -12.522 -7.614 -2.161 651 H SER 90 H SER 90 -10.015 -6.092 -1.226 652 HA SER 90 HA SER 90 -10.491 -5.959 1.721 653 1HB SER 90 2HB SER 90 -8.163 -4.598 1.487 654 2HB SER 90 1HB SER 90 -8.227 -6.324 1.836 655 HG SER 90 HG SER 90 -7.479 -6.724 -0.094 656 H TYR 91 H TYR 91 -11.214 -3.933 2.394 657 HA TYR 91 HA TYR 91 -11.750 -1.929 0.257 658 1HB TYR 91 2HB TYR 91 -12.954 -2.858 2.772 659 2HB TYR 91 1HB TYR 91 -12.930 -1.099 2.630 660 HD1 TYR 91 1HD TYR 91 -15.179 -0.558 2.122 661 HD2 TYR 91 2HD TYR 91 -13.166 -3.638 -0.094 662 HE1 TYR 91 1HE TYR 91 -17.083 -0.660 0.536 663 HE2 TYR 91 2HE TYR 91 -15.070 -3.741 -1.679 664 HH TYR 91 HH TYR 91 -17.051 -2.921 -2.226 665 H ILE 92 H ILE 92 -10.089 -0.443 0.053 666 HA ILE 92 HA ILE 92 -8.601 0.366 2.516 667 HB ILE 92 HB ILE 92 -7.456 -0.534 0.446 668 1HG1 ILE 92 2HG1 ILE 92 -6.861 2.297 1.355 669 2HG1 ILE 92 1HG1 ILE 92 -6.171 0.807 1.999 670 1HG2 ILE 92 1HG2 ILE 92 -7.468 0.673 -1.571 671 2HG2 ILE 92 2HG2 ILE 92 -8.035 2.150 -0.792 672 3HG2 ILE 92 3HG2 ILE 92 -9.144 0.800 -1.035 673 1HD1 ILE 92 1HD1 ILE 92 -5.031 0.361 -0.095 674 2HD1 ILE 92 2HD1 ILE 92 -4.644 2.007 0.407 675 3HD1 ILE 92 3HD1 ILE 92 -5.831 1.731 -0.867 676 H VAL 93 H VAL 93 -8.745 2.475 3.271 677 HA VAL 93 HA VAL 93 -10.303 4.423 1.598 678 HB VAL 93 HB VAL 93 -10.281 4.103 4.613 679 1HG1 VAL 93 1HG1 VAL 93 -11.622 5.943 2.675 680 2HG1 VAL 93 2HG1 VAL 93 -10.982 6.281 4.283 681 3HG1 VAL 93 3HG1 VAL 93 -12.523 5.443 4.106 682 1HG2 VAL 93 1HG2 VAL 93 -12.709 3.318 4.070 683 2HG2 VAL 93 2HG2 VAL 93 -11.388 2.170 3.848 684 3HG2 VAL 93 3HG2 VAL 93 -12.075 3.005 2.454 685 H VAL 94 H VAL 94 -8.848 5.969 0.954 686 HA VAL 94 HA VAL 94 -6.653 6.750 2.829 687 HB VAL 94 HB VAL 94 -7.124 6.974 -0.153 688 1HG1 VAL 94 1HG1 VAL 94 -4.497 7.797 0.461 689 2HG1 VAL 94 2HG1 VAL 94 -5.547 8.689 1.564 690 3HG1 VAL 94 3HG1 VAL 94 -5.803 8.797 -0.179 691 1HG2 VAL 94 1HG2 VAL 94 -5.717 5.201 -0.308 692 2HG2 VAL 94 2HG2 VAL 94 -6.033 4.970 1.413 693 3HG2 VAL 94 3HG2 VAL 94 -4.609 5.871 0.891 694 H GLY 95 H GLY 95 -7.621 8.338 4.146 695 1HA GLY 95 2HA GLY 95 -8.313 10.865 2.782 696 2HA GLY 95 1HA GLY 95 -9.580 10.152 3.781 697 H MET 96 H MET 96 -8.541 12.659 4.418 698 HA MET 96 HA MET 96 -6.663 12.178 6.691 699 1HB MET 96 2HB MET 96 -6.013 13.879 5.092 700 2HB MET 96 1HB MET 96 -7.602 14.639 5.188 701 1HG MET 96 2HG MET 96 -7.082 14.881 7.727 702 2HG MET 96 1HG MET 96 -5.407 14.602 7.251 703 1HE MET 96 1HE MET 96 -5.867 16.591 4.022 704 2HE MET 96 2HE MET 96 -4.937 15.358 4.870 705 3HE MET 96 3HE MET 96 -4.394 17.033 4.896 706 H GLY 97 H GLY 97 -9.925 13.272 5.911 707 1HA GLY 97 2HA GLY 97 -10.947 12.738 8.512 708 2HA GLY 97 1HA GLY 97 -10.597 14.463 8.407 709 H ASP 98 H ASP 98 -11.845 15.762 6.997 710 HA ASP 98 HA ASP 98 -14.563 14.957 6.570 711 1HB ASP 98 2HB ASP 98 -13.013 17.273 6.555 712 2HB ASP 98 1HB ASP 98 -13.581 17.140 4.890 713 H LYS 99 H LYS 99 -12.246 15.918 4.010 714 HA LYS 99 HA LYS 99 -13.730 14.423 2.003 715 1HB LYS 99 2HB LYS 99 -12.440 16.647 1.809 716 2HB LYS 99 1HB LYS 99 -10.983 15.655 1.757 717 1HG LYS 99 2HG LYS 99 -11.783 16.161 -0.522 718 2HG LYS 99 1HG LYS 99 -11.877 14.431 -0.188 719 1HD LYS 99 2HD LYS 99 -14.162 14.413 -0.219 720 2HD LYS 99 1HD LYS 99 -14.286 16.009 0.522 721 1HE LYS 99 2HE LYS 99 -13.333 16.867 -1.770 722 2HE LYS 99 1HE LYS 99 -13.910 15.304 -2.381 723 1HZ LYS 99 1HZ LYS 99 -15.822 16.532 -2.526 724 2HZ LYS 99 2HZ LYS 99 -15.437 17.514 -1.195 725 3HZ LYS 99 3HZ LYS 99 -15.991 15.927 -0.951 726 H GLN 100 H GLN 100 -13.538 12.196 2.074 727 HA GLN 100 HA GLN 100 -10.766 11.073 2.171 728 1HB GLN 100 2HB GLN 100 -11.372 10.422 4.273 729 2HB GLN 100 1HB GLN 100 -13.085 10.689 3.960 730 1HG GLN 100 2HG GLN 100 -11.630 8.353 2.726 731 2HG GLN 100 1HG GLN 100 -12.291 8.252 4.358 732 1HE2 GLN 100 1HE2 GLN 100 -14.224 10.398 2.630 733 2HE2 GLN 100 2HE2 GLN 100 -15.422 9.319 2.119 734 H ILE 101 H ILE 101 -10.504 9.158 0.922 735 HA ILE 101 HA ILE 101 -12.780 8.527 -0.929 736 HB ILE 101 HB ILE 101 -10.999 8.087 -2.586 737 1HG1 ILE 101 2HG1 ILE 101 -8.927 9.238 -0.774 738 2HG1 ILE 101 1HG1 ILE 101 -9.390 7.558 -0.498 739 1HG2 ILE 101 1HG2 ILE 101 -10.100 10.697 -1.527 740 2HG2 ILE 101 2HG2 ILE 101 -11.846 10.531 -1.714 741 3HG2 ILE 101 3HG2 ILE 101 -10.784 10.297 -3.103 742 1HD1 ILE 101 1HD1 ILE 101 -7.479 8.229 -2.256 743 2HD1 ILE 101 2HD1 ILE 101 -8.880 8.381 -3.317 744 3HD1 ILE 101 3HD1 ILE 101 -8.543 6.846 -2.517 745 H ASN 102 H ASN 102 -12.965 6.263 -1.549 746 HA ASN 102 HA ASN 102 -11.336 4.329 0.035 747 1HB ASN 102 2HB ASN 102 -13.333 3.298 0.914 748 2HB ASN 102 1HB ASN 102 -13.468 5.030 1.222 749 1HD2 ASN 102 1HD2 ASN 102 -15.384 5.984 0.517 750 2HD2 ASN 102 2HD2 ASN 102 -16.427 5.325 -0.649 751 H HIS 103 H HIS 103 -10.880 2.491 -1.147 752 HA HIS 103 HA HIS 103 -12.355 2.111 -3.733 753 1HB HIS 103 2HB HIS 103 -9.508 2.266 -2.966 754 2HB HIS 103 1HB HIS 103 -9.895 0.928 -4.049 755 HD1 HIS 103 1HD HIS 103 -11.837 4.136 -4.183 756 HD2 HIS 103 2HD HIS 103 -8.803 2.247 -6.329 757 HE1 HIS 103 1HE HIS 103 -11.564 5.441 -6.336 758 H HIS 104 H HIS 104 -12.221 -0.227 -4.494 759 HA HIS 104 HA HIS 104 -12.190 -2.148 -2.193 760 1HB HIS 104 2HB HIS 104 -14.177 -3.189 -3.458 761 2HB HIS 104 1HB HIS 104 -14.483 -1.654 -2.645 762 HD1 HIS 104 1HD HIS 104 -15.086 0.347 -4.088 763 HD2 HIS 104 2HD HIS 104 -13.856 -2.935 -6.346 764 HE1 HIS 104 1HE HIS 104 -15.565 0.921 -6.508 765 H TRP 105 H TRP 105 -10.355 -3.338 -2.719 766 HA TRP 105 HA TRP 105 -9.743 -3.998 -5.508 767 1HB TRP 105 2HB TRP 105 -8.445 -3.949 -2.880 768 2HB TRP 105 1HB TRP 105 -7.976 -5.341 -3.857 769 HD1 TRP 105 HD TRP 105 -6.561 -4.922 -6.012 770 HE1 TRP 105 1HE TRP 105 -5.364 -2.848 -6.966 771 HE3 TRP 105 3HE TRP 105 -8.616 -1.284 -3.071 772 HZ2 TRP 105 2HZ TRP 105 -5.287 -0.021 -6.539 773 HZ3 TRP 105 3HZ TRP 105 -7.962 1.088 -3.366 774 HH2 TRP 105 HH TRP 105 -6.302 1.723 -5.095 775 H HIS 106 H HIS 106 -10.867 -5.694 -6.399 776 HA HIS 106 HA HIS 106 -10.819 -8.309 -5.053 777 1HB HIS 106 2HB HIS 106 -13.255 -8.504 -4.962 778 2HB HIS 106 1HB HIS 106 -12.761 -7.058 -4.083 779 HD1 HIS 106 1HD HIS 106 -14.638 -8.189 -7.090 780 HD2 HIS 106 2HD HIS 106 -13.332 -4.582 -5.461 781 HE1 HIS 106 1HE HIS 106 -15.859 -6.356 -8.338 782 H LYS 107 H LYS 107 -9.859 -9.255 -6.871 783 HA LYS 107 HA LYS 107 -11.152 -8.827 -9.530 784 1HB LYS 107 2HB LYS 107 -8.578 -8.648 -8.786 785 2HB LYS 107 1HB LYS 107 -8.628 -10.374 -9.143 786 1HG LYS 107 2HG LYS 107 -9.996 -9.233 -11.277 787 2HG LYS 107 1HG LYS 107 -8.673 -8.104 -10.981 788 1HD LYS 107 2HD LYS 107 -7.740 -9.691 -12.463 789 2HD LYS 107 1HD LYS 107 -7.166 -10.205 -10.876 790 1HE LYS 107 2HE LYS 107 -8.006 -12.164 -12.082 791 2HE LYS 107 1HE LYS 107 -9.134 -11.792 -10.763 792 1HZ LYS 107 1HZ LYS 107 -9.469 -10.522 -13.401 793 2HZ LYS 107 2HZ LYS 107 -10.630 -10.804 -12.194 794 3HZ LYS 107 3HZ LYS 107 -10.060 -12.092 -13.144 795 H ALA 108 H ALA 108 -11.008 -11.080 -6.972 796 HA ALA 108 HA ALA 108 -11.272 -13.512 -8.577 797 1HB ALA 108 1HB ALA 108 -12.211 -13.533 -5.791 798 2HB ALA 108 2HB ALA 108 -10.602 -12.833 -5.979 799 3HB ALA 108 3HB ALA 108 -10.923 -14.473 -6.544 800 H GLY 109 H GLY 109 -13.160 -14.138 -9.543 801 1HA GLY 109 2HA GLY 109 -15.734 -13.532 -8.205 802 2HA GLY 109 1HA GLY 109 -15.525 -12.937 -9.853 803 H SER 110 H SER 110 -15.228 -15.963 -7.968 804 HA SER 110 HA SER 110 -16.609 -17.396 -10.177 805 1HB SER 110 2HB SER 110 -13.942 -18.263 -9.026 806 2HB SER 110 1HB SER 110 -14.798 -18.992 -10.382 807 HG SER 110 HG SER 110 -14.390 -17.198 -11.594 808 H THR 111 H THR 111 -18.343 -17.907 -8.769 809 HA THR 111 HA THR 111 -17.659 -19.810 -6.564 810 HB THR 111 HB THR 111 -19.431 -18.598 -5.222 811 HG1 THR 111 1HG THR 111 -19.086 -16.414 -6.909 812 1HG2 THR 111 1HG2 THR 111 -17.967 -16.625 -4.728 813 2HG2 THR 111 2HG2 THR 111 -16.998 -17.047 -6.140 814 3HG2 THR 111 3HG2 THR 111 -17.090 -18.154 -4.772
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