NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
12336 | 1ssn | 4215 | cing | recoord | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H SER 1 H SER 1 -14.777 11.794 6.184 2 HA SER 1 HA SER 1 -17.392 11.466 6.190 3 1HB SER 1 1HB SER 1 -16.767 12.455 3.372 4 2HB SER 1 2HB SER 1 -18.290 11.692 3.874 5 HG SER 1 HG SER 1 -18.367 13.975 3.959 6 H SER 2 H SER 2 -15.103 10.883 3.467 7 HA SER 2 HA SER 2 -14.768 8.083 4.203 8 1HB SER 2 1HB SER 2 -16.940 7.990 3.004 9 2HB SER 2 2HB SER 2 -16.212 8.797 1.603 10 HG SER 2 HG SER 2 -15.413 6.313 2.729 11 H SER 3 H SER 3 -14.514 10.428 1.493 12 HA SER 3 HA SER 3 -11.944 9.329 0.654 13 1HB SER 3 1HB SER 3 -13.713 9.954 -0.969 14 2HB SER 3 2HB SER 3 -13.602 11.641 -0.442 15 HG SER 3 HG SER 3 -12.334 11.184 -2.299 16 H PHE 4 H PHE 4 -11.090 9.895 2.849 17 HA PHE 4 HA PHE 4 -9.691 10.984 4.163 18 1HB PHE 4 1HB PHE 4 -7.697 11.894 2.961 19 2HB PHE 4 2HB PHE 4 -8.273 10.334 2.428 20 HD1 PHE 4 HD1 PHE 4 -8.656 13.992 1.510 21 HD2 PHE 4 HD2 PHE 4 -8.454 9.898 0.146 22 HE1 PHE 4 HE1 PHE 4 -8.878 14.755 -0.825 23 HE2 PHE 4 HE2 PHE 4 -8.605 10.687 -2.193 24 HZ PHE 4 1HZ PHE 4 -8.850 13.106 -2.686 25 H ASP 5 H ASP 5 -8.273 13.222 4.357 26 HA ASP 5 HA ASP 5 -9.739 15.574 3.545 27 1HB ASP 5 1HB ASP 5 -10.013 16.597 5.707 28 2HB ASP 5 2HB ASP 5 -10.893 15.073 5.675 29 H LYS 6 H LYS 6 -7.228 14.261 2.957 30 HA LYS 6 HA LYS 6 -5.321 16.467 3.576 31 1HB LYS 6 1HB LYS 6 -4.786 13.472 3.519 32 2HB LYS 6 2HB LYS 6 -3.538 14.721 3.617 33 1HG LYS 6 1HG LYS 6 -5.713 14.233 5.705 34 2HG LYS 6 2HG LYS 6 -4.056 13.623 5.778 35 1HD LYS 6 1HD LYS 6 -3.184 15.953 5.723 36 2HD LYS 6 2HD LYS 6 -4.845 16.571 5.791 37 1HE LYS 6 1HE LYS 6 -3.542 14.789 7.893 38 2HE LYS 6 2HE LYS 6 -3.750 16.546 8.005 39 1HZ LYS 6 1HZ LYS 6 -6.111 16.215 7.884 40 2HZ LYS 6 2HZ LYS 6 -5.920 14.579 7.808 41 3HZ LYS 6 3HZ LYS 6 -5.472 15.399 9.165 42 H GLY 7 H GLY 7 -5.775 13.529 1.529 43 1HA GLY 7 1HA GLY 7 -5.985 13.331 -0.726 44 2HA GLY 7 2HA GLY 7 -6.026 15.093 -0.871 45 H LYS 8 H LYS 8 -4.030 12.213 -0.840 46 HA LYS 8 HA LYS 8 -1.998 11.704 -1.622 47 1HB LYS 8 1HB LYS 8 -2.502 14.064 -3.458 48 2HB LYS 8 2HB LYS 8 -1.331 12.768 -3.726 49 1HG LYS 8 1HG LYS 8 -3.064 11.086 -3.774 50 2HG LYS 8 2HG LYS 8 -4.340 12.271 -3.472 51 1HD LYS 8 1HD LYS 8 -2.510 12.631 -5.859 52 2HD LYS 8 2HD LYS 8 -3.779 11.404 -5.901 53 1HE LYS 8 1HE LYS 8 -4.594 13.447 -6.913 54 2HE LYS 8 2HE LYS 8 -5.514 13.071 -5.448 55 1HZ LYS 8 1HZ LYS 8 -3.325 15.018 -5.624 56 2HZ LYS 8 2HZ LYS 8 -4.934 15.384 -5.636 57 3HZ LYS 8 3HZ LYS 8 -4.255 14.711 -4.295 58 H TYR 9 H TYR 9 -1.837 13.120 0.737 59 HA TYR 9 HA TYR 9 0.168 15.226 0.503 60 1HB TYR 9 1HB TYR 9 -1.693 15.462 2.047 61 2HB TYR 9 2HB TYR 9 -1.264 13.949 2.849 62 HD1 TYR 9 HD1 TYR 9 0.702 17.029 1.823 63 HD2 TYR 9 HD2 TYR 9 -0.500 14.395 5.025 64 HE1 TYR 9 HE1 TYR 9 2.156 18.265 3.388 65 HE2 TYR 9 HE2 TYR 9 0.899 15.689 6.602 66 HH TYR 9 HH TYR 9 2.405 17.410 6.860 67 H LYS 10 H LYS 10 -0.043 11.879 1.710 68 HA LYS 10 HA LYS 10 1.387 10.474 2.657 69 1HB LYS 10 1HB LYS 10 3.387 9.922 1.375 70 2HB LYS 10 2HB LYS 10 1.935 10.002 0.402 71 1HG LYS 10 1HG LYS 10 3.824 12.375 0.528 72 2HG LYS 10 2HG LYS 10 4.212 10.972 -0.451 73 1HD LYS 10 1HD LYS 10 1.477 12.158 -0.830 74 2HD LYS 10 2HD LYS 10 2.875 13.011 -1.495 75 1HE LYS 10 1HE LYS 10 3.532 11.011 -2.752 76 2HE LYS 10 2HE LYS 10 2.212 10.090 -2.011 77 1HZ LYS 10 1HZ LYS 10 0.670 11.579 -3.048 78 2HZ LYS 10 2HZ LYS 10 1.898 12.438 -3.737 79 3HZ LYS 10 3HZ LYS 10 1.639 10.870 -4.179 80 H LYS 11 H LYS 11 1.290 12.508 4.256 81 HA LYS 11 HA LYS 11 2.145 13.449 6.009 82 1HB LYS 11 1HB LYS 11 3.542 12.335 7.288 83 2HB LYS 11 2HB LYS 11 3.360 11.094 6.054 84 1HG LYS 11 1HG LYS 11 5.555 11.893 5.053 85 2HG LYS 11 2HG LYS 11 5.676 13.070 6.367 86 1HD LYS 11 1HD LYS 11 5.656 11.263 8.038 87 2HD LYS 11 2HD LYS 11 5.478 10.062 6.750 88 1HE LYS 11 1HE LYS 11 7.793 10.141 7.461 89 2HE LYS 11 2HE LYS 11 7.670 10.745 5.803 90 1HZ LYS 11 1HZ LYS 11 7.851 12.397 8.228 91 2HZ LYS 11 2HZ LYS 11 9.086 12.093 7.180 92 3HZ LYS 11 3HZ LYS 11 7.780 12.964 6.681 93 H GLY 12 H GLY 12 3.605 14.055 3.032 94 1HA GLY 12 1HA GLY 12 4.308 16.433 2.711 95 2HA GLY 12 2HA GLY 12 5.405 16.199 4.081 96 H ASP 13 H ASP 13 6.062 13.420 3.457 97 HA ASP 13 HA ASP 13 8.290 13.922 1.676 98 1HB ASP 13 1HB ASP 13 7.343 11.477 3.217 99 2HB ASP 13 2HB ASP 13 8.799 11.514 2.214 100 H ASP 14 H ASP 14 7.239 14.366 -0.318 101 HA ASP 14 HA ASP 14 5.909 12.102 -1.714 102 1HB ASP 14 1HB ASP 14 4.857 14.378 -1.591 103 2HB ASP 14 2HB ASP 14 6.188 15.013 -2.560 104 H ALA 15 H ALA 15 8.065 11.016 -1.617 105 HA ALA 15 HA ALA 15 10.189 12.014 -3.396 106 1HB ALA 15 1HB ALA 15 9.865 9.472 -1.758 107 2HB ALA 15 2HB ALA 15 11.301 9.902 -2.713 108 3HB ALA 15 3HB ALA 15 10.815 10.908 -1.334 109 H SER 16 H SER 16 8.812 12.142 -5.313 110 HA SER 16 HA SER 16 7.419 9.871 -6.322 111 1HB SER 16 1HB SER 16 7.114 11.268 -8.345 112 2HB SER 16 2HB SER 16 6.680 12.088 -6.836 113 HG SER 16 HG SER 16 9.047 12.433 -8.350 114 H TYR 17 H TYR 17 10.424 11.467 -7.562 115 HA TYR 17 HA TYR 17 11.574 8.916 -8.305 116 1HB TYR 17 1HB TYR 17 9.821 9.539 -10.096 117 2HB TYR 17 2HB TYR 17 10.856 10.888 -10.526 118 HD1 TYR 17 HD1 TYR 17 13.086 8.205 -9.776 119 HD2 TYR 17 HD2 TYR 17 10.206 9.498 -12.718 120 HE1 TYR 17 HE1 TYR 17 14.011 6.597 -11.382 121 HE2 TYR 17 HE2 TYR 17 11.214 7.950 -14.366 122 HH TYR 17 HH TYR 17 12.790 6.315 -14.742 123 H PHE 18 H PHE 18 13.156 10.545 -10.443 124 HA PHE 18 HA PHE 18 15.061 11.651 -10.620 125 1HB PHE 18 1HB PHE 18 13.449 13.474 -10.249 126 2HB PHE 18 2HB PHE 18 13.825 13.482 -8.532 127 HD1 PHE 18 HD1 PHE 18 15.225 14.050 -11.949 128 HD2 PHE 18 HD2 PHE 18 15.787 14.653 -7.714 129 HE1 PHE 18 HE1 PHE 18 17.097 15.609 -12.413 130 HE2 PHE 18 HE2 PHE 18 17.674 16.187 -8.186 131 HZ PHE 18 1HZ PHE 18 18.329 16.673 -10.534 132 H GLU 19 H GLU 19 16.459 10.038 -9.886 133 HA GLU 19 HA GLU 19 18.236 9.264 -8.819 134 1HB GLU 19 1HB GLU 19 18.122 12.046 -7.597 135 2HB GLU 19 2HB GLU 19 19.215 10.874 -6.910 136 1HG GLU 19 1HG GLU 19 20.347 12.207 -8.578 137 2HG GLU 19 2HG GLU 19 20.302 10.509 -9.066 138 HA PRO 20 HA PRO 20 16.985 7.179 -5.082 139 1HB PRO 20 1HB PRO 20 19.360 6.659 -3.791 140 2HB PRO 20 2HB PRO 20 18.815 5.804 -5.262 141 1HG PRO 20 1HG PRO 20 20.694 8.173 -5.075 142 2HG PRO 20 2HG PRO 20 20.940 6.644 -5.964 143 1HD PRO 20 1HD PRO 20 20.046 8.846 -7.227 144 2HD PRO 20 2HD PRO 20 19.329 7.265 -7.614 145 H THR 21 H THR 21 15.801 8.701 -3.967 146 HA THR 21 HA THR 21 17.113 10.911 -2.529 147 HB THR 21 HB THR 21 14.715 11.548 -2.044 148 HG1 THR 21 HG1 THR 21 14.189 9.534 -3.975 149 1HG2 THR 21 1HG2 THR 21 16.002 12.592 -3.859 150 2HG2 THR 21 2HG2 THR 21 15.544 11.275 -4.957 151 H GLY 22 H GLY 22 14.411 8.776 -1.489 152 1HA GLY 22 1HA GLY 22 15.820 7.652 0.719 153 2HA GLY 22 2HA GLY 22 14.850 9.041 1.258 154 HA PRO 23 HA PRO 23 12.379 5.027 0.223 155 1HB PRO 23 1HB PRO 23 12.401 3.488 2.457 156 2HB PRO 23 2HB PRO 23 13.788 3.526 1.341 157 1HG PRO 23 1HG PRO 23 13.472 5.170 3.866 158 2HG PRO 23 2HG PRO 23 14.840 4.100 3.423 159 1HD PRO 23 1HD PRO 23 14.942 6.759 2.909 160 2HD PRO 23 2HD PRO 23 15.546 5.582 1.702 161 H TYR 24 H TYR 24 10.338 4.161 1.172 162 HA TYR 24 HA TYR 24 9.012 5.538 3.330 163 1HB TYR 24 1HB TYR 24 7.227 6.547 1.928 164 2HB TYR 24 2HB TYR 24 8.783 7.328 1.732 165 HD1 TYR 24 HD1 TYR 24 6.219 5.214 0.112 166 HD2 TYR 24 HD2 TYR 24 10.033 7.155 -0.398 167 HE1 TYR 24 HE1 TYR 24 5.890 5.231 -2.347 168 HE2 TYR 24 HE2 TYR 24 9.749 7.070 -2.853 169 HH TYR 24 HH TYR 24 8.230 6.761 -4.575 170 H LEU 25 H LEU 25 6.781 4.797 3.590 171 HA LEU 25 HA LEU 25 6.084 2.261 2.239 172 1HB LEU 25 1HB LEU 25 7.443 1.855 4.311 173 2HB LEU 25 2HB LEU 25 6.128 2.527 5.271 174 HG LEU 25 HG LEU 25 5.849 0.155 3.358 175 1HD1 LEU 25 1HD1 LEU 25 6.311 0.186 6.367 176 2HD1 LEU 25 2HD1 LEU 25 5.926 -1.253 5.395 177 3HD1 LEU 25 3HD1 LEU 25 7.444 -0.389 5.122 178 1HD2 LEU 25 1HD2 LEU 25 4.041 1.274 5.542 179 2HD2 LEU 25 2HD2 LEU 25 3.678 1.116 3.802 180 3HD2 LEU 25 3HD2 LEU 25 3.834 -0.326 4.807 181 H MET 26 H MET 26 4.369 3.098 1.215 182 HA MET 26 HA MET 26 2.663 5.140 2.442 183 1HB MET 26 1HB MET 26 3.872 5.426 0.334 184 2HB MET 26 2HB MET 26 2.934 4.126 -0.408 185 1HG MET 26 1HG MET 26 0.871 5.433 -0.083 186 2HG MET 26 2HG MET 26 1.785 6.715 0.722 187 1HE MET 26 1HE MET 26 3.511 8.297 -0.447 188 2HE MET 26 2HE MET 26 4.476 6.983 -1.146 189 3HE MET 26 3HE MET 26 3.882 8.283 -2.186 190 H VAL 27 H VAL 27 0.927 4.402 3.545 191 HA VAL 27 HA VAL 27 -0.349 1.825 2.787 192 HB VAL 27 HB VAL 27 -0.318 3.313 5.436 193 1HG1 VAL 27 1HG1 VAL 27 -2.226 1.730 5.119 194 2HG1 VAL 27 2HG1 VAL 27 -1.071 0.435 4.742 195 3HG1 VAL 27 3HG1 VAL 27 -1.094 1.168 6.358 196 1HG2 VAL 27 1HG2 VAL 27 1.366 0.967 4.481 197 2HG2 VAL 27 2HG2 VAL 27 1.960 2.597 4.888 198 3HG2 VAL 27 3HG2 VAL 27 1.278 1.567 6.147 199 H ASN 28 H ASN 28 -1.994 2.346 1.383 200 HA ASN 28 HA ASN 28 -4.370 3.604 2.560 201 1HB ASN 28 1HB ASN 28 -3.061 4.631 0.004 202 2HB ASN 28 2HB ASN 28 -4.701 5.063 0.521 203 1HD2 ASN 28 1HD2 ASN 28 -3.732 7.135 3.271 204 2HD2 ASN 28 2HD2 ASN 28 -4.924 5.949 2.795 205 H VAL 29 H VAL 29 -5.953 3.629 0.230 206 HA VAL 29 HA VAL 29 -5.725 0.938 -0.980 207 HB VAL 29 HB VAL 29 -8.124 0.552 -0.664 208 1HG1 VAL 29 1HG1 VAL 29 -6.475 -0.361 0.966 209 2HG1 VAL 29 2HG1 VAL 29 -6.817 1.031 2.027 210 3HG1 VAL 29 3HG1 VAL 29 -8.100 -0.129 1.639 211 1HG2 VAL 29 1HG2 VAL 29 -8.145 3.021 1.109 212 2HG2 VAL 29 2HG2 VAL 29 -8.996 2.812 -0.439 213 3HG2 VAL 29 3HG2 VAL 29 -9.453 1.827 0.948 214 H THR 30 H THR 30 -6.662 0.723 -2.983 215 HA THR 30 HA THR 30 -7.508 3.157 -4.455 216 HB THR 30 1HB THR 30 -7.073 0.264 -5.315 217 HG1 THR 30 HG1 THR 30 -5.227 1.552 -4.812 218 1HG2 THR 30 1HG2 THR 30 -7.786 2.746 -6.949 219 2HG2 THR 30 2HG2 THR 30 -7.217 1.209 -7.628 220 H GLY 31 H GLY 31 -9.279 3.528 -3.002 221 1HA GLY 31 1HA GLY 31 -11.279 1.517 -2.456 222 2HA GLY 31 2HA GLY 31 -11.297 3.232 -2.024 223 H VAL 32 H VAL 32 -12.368 0.851 -4.288 224 HA VAL 32 HA VAL 32 -13.680 2.883 -6.037 225 HB VAL 32 HB VAL 32 -13.780 1.104 -7.721 226 1HG1 VAL 32 1HG1 VAL 32 -11.023 1.734 -6.604 227 2HG1 VAL 32 2HG1 VAL 32 -11.281 0.909 -8.143 228 3HG1 VAL 32 3HG1 VAL 32 -11.894 2.550 -7.915 229 1HG2 VAL 32 1HG2 VAL 32 -13.825 -0.875 -6.207 230 2HG2 VAL 32 2HG2 VAL 32 -12.601 -0.990 -7.476 231 3HG2 VAL 32 3HG2 VAL 32 -12.113 -0.590 -5.819 232 H ASP 33 H ASP 33 -15.741 2.085 -7.012 233 HA ASP 33 HA ASP 33 -17.675 1.517 -4.993 234 1HB ASP 33 1HB ASP 33 -19.276 1.558 -6.752 235 2HB ASP 33 2HB ASP 33 -18.110 2.852 -7.038 236 H SER 34 H SER 34 -16.270 -0.420 -7.629 237 HA SER 34 HA SER 34 -16.290 -2.932 -6.373 238 1HB SER 34 1HB SER 34 -18.108 -4.020 -7.738 239 2HB SER 34 2HB SER 34 -18.727 -2.942 -6.486 240 HG SER 34 HG SER 34 -18.964 -1.336 -8.097 241 H LYS 35 H LYS 35 -17.028 -1.479 -9.589 242 HA LYS 35 HA LYS 35 -15.253 -3.298 -10.971 243 1HB LYS 35 1HB LYS 35 -17.293 -2.477 -12.001 244 2HB LYS 35 2HB LYS 35 -16.735 -0.803 -11.897 245 1HG LYS 35 1HG LYS 35 -14.842 -1.330 -13.415 246 2HG LYS 35 2HG LYS 35 -15.349 -3.032 -13.452 247 1HD LYS 35 1HD LYS 35 -17.478 -2.390 -14.519 248 2HD LYS 35 2HD LYS 35 -17.056 -0.675 -14.367 249 1HE LYS 35 1HE LYS 35 -16.643 -1.420 -16.647 250 2HE LYS 35 2HE LYS 35 -15.108 -1.009 -15.864 251 1HZ LYS 35 1HZ LYS 35 -16.190 -3.719 -16.196 252 2HZ LYS 35 2HZ LYS 35 -14.987 -3.043 -17.099 253 3HZ LYS 35 3HZ LYS 35 -14.747 -3.336 -15.496 254 H GLY 36 H GLY 36 -15.208 0.317 -10.987 255 1HA GLY 36 1HA GLY 36 -12.541 0.566 -10.012 256 2HA GLY 36 2HA GLY 36 -12.524 0.526 -11.781 257 H ASN 37 H ASN 37 -15.263 1.914 -9.993 258 HA ASN 37 HA ASN 37 -14.630 4.616 -11.040 259 1HB ASN 37 1HB ASN 37 -17.113 3.629 -9.586 260 2HB ASN 37 2HB ASN 37 -16.861 5.196 -10.343 261 1HD2 ASN 37 1HD2 ASN 37 -17.671 1.866 -12.667 262 2HD2 ASN 37 2HD2 ASN 37 -17.186 1.690 -10.994 263 H GLU 38 H GLU 38 -12.938 5.283 -9.775 264 HA GLU 38 HA GLU 38 -12.553 4.538 -7.105 265 1HB GLU 38 1HB GLU 38 -10.783 5.107 -8.675 266 2HB GLU 38 2HB GLU 38 -11.270 6.813 -8.647 267 1HG GLU 38 1HG GLU 38 -10.728 6.974 -6.272 268 2HG GLU 38 2HG GLU 38 -10.482 5.220 -6.165 269 H LEU 39 H LEU 39 -13.768 5.065 -5.454 270 HA LEU 39 HA LEU 39 -15.244 7.532 -5.152 271 1HB LEU 39 1HB LEU 39 -14.493 5.450 -3.065 272 2HB LEU 39 2HB LEU 39 -15.774 6.661 -2.950 273 HG LEU 39 HG LEU 39 -15.690 4.276 -4.861 274 1HD1 LEU 39 1HD1 LEU 39 -16.128 3.732 -2.498 275 2HD1 LEU 39 2HD1 LEU 39 -17.467 4.897 -2.466 276 3HD1 LEU 39 3HD1 LEU 39 -17.563 3.458 -3.502 277 1HD2 LEU 39 1HD2 LEU 39 -17.811 6.443 -4.518 278 2HD2 LEU 39 2HD2 LEU 39 -16.859 6.114 -5.985 279 3HD2 LEU 39 3HD2 LEU 39 -18.038 4.927 -5.415 280 H LEU 40 H LEU 40 -12.148 6.201 -3.913 281 HA LEU 40 HA LEU 40 -11.282 8.933 -3.231 282 1HB LEU 40 1HB LEU 40 -10.628 8.387 -1.007 283 2HB LEU 40 2HB LEU 40 -12.336 7.998 -1.227 284 HG LEU 40 HG LEU 40 -11.262 5.550 -1.766 285 1HD1 LEU 40 1HD1 LEU 40 -9.462 6.836 0.344 286 2HD1 LEU 40 2HD1 LEU 40 -9.498 5.112 -0.065 287 3HD1 LEU 40 3HD1 LEU 40 -8.915 6.290 -1.249 288 1HD2 LEU 40 1HD2 LEU 40 -11.902 6.674 0.986 289 2HD2 LEU 40 2HD2 LEU 40 -13.074 6.015 -0.178 290 3HD2 LEU 40 3HD2 LEU 40 -11.856 4.954 0.552 291 H SER 41 H SER 41 -9.199 9.324 -3.547 292 HA SER 41 HA SER 41 -7.608 7.307 -4.915 293 1HB SER 41 1HB SER 41 -7.081 10.248 -4.338 294 2HB SER 41 2HB SER 41 -6.098 9.203 -5.383 295 HG SER 41 HG SER 41 -7.982 8.878 -6.655 296 HA PRO 42 HA PRO 42 -5.158 6.490 -1.215 297 1HB PRO 42 1HB PRO 42 -3.019 5.161 -2.329 298 2HB PRO 42 2HB PRO 42 -4.653 4.477 -2.275 299 1HG PRO 42 1HG PRO 42 -3.365 5.985 -4.560 300 2HG PRO 42 2HG PRO 42 -4.160 4.384 -4.622 301 1HD PRO 42 1HD PRO 42 -5.450 6.678 -5.295 302 2HD PRO 42 2HD PRO 42 -6.304 5.373 -4.414 303 H HIS 43 H HIS 43 -2.587 6.583 -0.784 304 HA HIS 43 HA HIS 43 -0.593 7.521 -0.774 305 1HB HIS 43 1HB HIS 43 -1.399 9.626 -2.801 306 2HB HIS 43 2HB HIS 43 0.208 9.075 -2.376 307 HD1 HIS 43 HD1 HIS 43 -1.108 9.022 -5.352 308 HD2 HIS 43 HD2 HIS 43 -0.491 5.838 -2.674 309 HE1 HIS 43 HE1 HIS 43 -0.906 6.901 -6.764 310 H TYR 44 H TYR 44 -3.015 8.574 0.820 311 HA TYR 44 HA TYR 44 -2.067 11.302 1.451 312 1HB TYR 44 1HB TYR 44 -4.097 11.455 2.813 313 2HB TYR 44 2HB TYR 44 -4.325 11.307 1.081 314 HD1 TYR 44 HD1 TYR 44 -5.101 9.136 0.070 315 HD2 TYR 44 HD2 TYR 44 -5.242 9.978 4.290 316 HE1 TYR 44 HE1 TYR 44 -6.806 7.355 0.370 317 HE2 TYR 44 HE2 TYR 44 -6.952 8.210 4.584 318 HH TYR 44 HH TYR 44 -8.127 6.213 1.848 319 H VAL 45 H VAL 45 -2.364 8.107 3.018 320 HA VAL 45 HA VAL 45 -0.848 9.134 5.374 321 HB VAL 45 HB VAL 45 -2.382 6.551 4.933 322 1HG1 VAL 45 1HG1 VAL 45 -0.725 7.477 7.317 323 2HG1 VAL 45 2HG1 VAL 45 -1.874 6.126 7.351 324 3HG1 VAL 45 3HG1 VAL 45 -0.444 6.031 6.322 325 1HG2 VAL 45 1HG2 VAL 45 -2.843 8.915 6.805 326 2HG2 VAL 45 2HG2 VAL 45 -3.817 8.500 5.380 327 3HG2 VAL 45 3HG2 VAL 45 -3.794 7.417 6.773 328 H GLU 46 H GLU 46 1.205 8.481 5.757 329 HA GLU 46 HA GLU 46 2.432 6.245 4.379 330 1HB GLU 46 1HB GLU 46 2.546 7.927 2.630 331 2HB GLU 46 2HB GLU 46 3.221 9.116 3.736 332 1HG GLU 46 1HG GLU 46 4.647 6.488 3.138 333 2HG GLU 46 2HG GLU 46 4.769 7.869 2.045 334 H PHE 47 H PHE 47 4.046 5.428 5.556 335 HA PHE 47 HA PHE 47 5.013 6.922 7.947 336 1HB PHE 47 1HB PHE 47 4.681 3.922 7.625 337 2HB PHE 47 2HB PHE 47 5.100 4.791 9.096 338 HD1 PHE 47 HD1 PHE 47 3.295 6.593 9.904 339 HD2 PHE 47 HD2 PHE 47 2.461 3.272 7.290 340 HE1 PHE 47 HE1 PHE 47 0.897 6.693 10.537 341 HE2 PHE 47 HE2 PHE 47 0.065 3.362 7.939 342 HZ PHE 47 1HZ PHE 47 -0.717 5.070 9.565 343 HA PRO 48 HA PRO 48 9.037 6.087 6.085 344 1HB PRO 48 1HB PRO 48 10.705 6.364 8.227 345 2HB PRO 48 2HB PRO 48 9.856 7.748 7.481 346 1HG PRO 48 1HG PRO 48 9.015 6.179 9.931 347 2HG PRO 48 2HG PRO 48 9.126 7.955 9.750 348 1HD PRO 48 1HD PRO 48 6.773 6.604 9.457 349 2HD PRO 48 2HD PRO 48 7.149 8.025 8.441 350 H ILE 49 H ILE 49 10.153 4.187 5.696 351 HA ILE 49 HA ILE 49 8.941 1.853 6.624 352 HB ILE 49 HB ILE 49 9.928 2.072 4.430 353 1HG1 ILE 49 1HG1 ILE 49 11.411 -0.197 5.803 354 2HG1 ILE 49 2HG1 ILE 49 9.633 -0.153 5.755 355 1HG2 ILE 49 1HG2 ILE 49 11.997 3.329 4.988 356 2HG2 ILE 49 2HG2 ILE 49 12.667 1.889 5.781 357 3HG2 ILE 49 3HG2 ILE 49 12.353 1.872 4.048 358 1HD1 ILE 49 1HD1 ILE 49 9.689 -0.031 3.295 359 2HD1 ILE 49 2HD1 ILE 49 11.468 -0.098 3.304 360 3HD1 ILE 49 3HD1 ILE 49 10.523 -1.481 3.887 361 H LYS 50 H LYS 50 9.363 0.351 8.101 362 HA LYS 50 HA LYS 50 11.927 0.235 9.558 363 1HB LYS 50 1HB LYS 50 9.220 0.525 10.914 364 2HB LYS 50 2HB LYS 50 10.711 -0.039 11.692 365 1HG LYS 50 1HG LYS 50 11.808 2.142 11.074 366 2HG LYS 50 2HG LYS 50 10.262 2.686 10.404 367 1HD LYS 50 1HD LYS 50 10.460 3.636 12.561 368 2HD LYS 50 2HD LYS 50 9.207 2.389 12.654 369 1HE LYS 50 1HE LYS 50 10.800 0.851 13.750 370 2HE LYS 50 2HE LYS 50 12.117 2.018 13.517 371 1HZ LYS 50 1HZ LYS 50 10.944 3.520 14.940 372 2HZ LYS 50 2HZ LYS 50 9.718 2.437 15.148 373 3HZ LYS 50 3HZ LYS 50 11.228 2.092 15.712 374 HA PRO 51 HA PRO 51 10.244 -3.696 7.942 375 1HB PRO 51 1HB PRO 51 12.558 -5.112 7.620 376 2HB PRO 51 2HB PRO 51 12.073 -3.781 6.530 377 1HG PRO 51 1HG PRO 51 13.965 -3.621 8.884 378 2HG PRO 51 2HG PRO 51 14.229 -3.020 7.221 379 1HD PRO 51 1HD PRO 51 13.367 -1.405 9.229 380 2HD PRO 51 2HD PRO 51 12.754 -1.191 7.562 381 H GLY 52 H GLY 52 9.485 -5.446 9.045 382 1HA GLY 52 1HA GLY 52 10.560 -6.955 11.094 383 2HA GLY 52 2HA GLY 52 9.907 -5.515 11.904 384 H THR 53 H THR 53 7.690 -4.980 10.237 385 HA THR 53 HA THR 53 5.718 -6.663 11.342 386 HB THR 53 HB THR 53 5.350 -4.327 10.695 387 HG1 THR 53 HG1 THR 53 3.669 -6.148 9.327 388 1HG2 THR 53 1HG2 THR 53 5.312 -5.295 7.799 389 2HG2 THR 53 2HG2 THR 53 4.940 -3.667 8.388 390 H THR 54 H THR 54 4.379 -8.244 10.442 391 HA THR 54 HA THR 54 5.713 -10.023 8.586 392 HB THR 54 HB THR 54 2.988 -10.302 9.894 393 HG1 THR 54 HG1 THR 54 5.566 -11.034 10.814 394 1HG2 THR 54 1HG2 THR 54 3.481 -12.716 9.704 395 2HG2 THR 54 2HG2 THR 54 3.451 -11.946 8.112 396 H LEU 55 H LEU 55 5.719 -9.195 6.521 397 HA LEU 55 HA LEU 55 3.533 -7.758 5.366 398 1HB LEU 55 1HB LEU 55 6.040 -7.521 4.975 399 2HB LEU 55 2HB LEU 55 5.965 -8.935 3.950 400 HG LEU 55 HG LEU 55 5.981 -6.894 2.668 401 1HD1 LEU 55 1HD1 LEU 55 4.622 -8.758 1.736 402 2HD1 LEU 55 2HD1 LEU 55 3.164 -8.012 2.437 403 3HD1 LEU 55 3HD1 LEU 55 4.097 -7.153 1.204 404 1HD2 LEU 55 1HD2 LEU 55 4.937 -5.409 4.410 405 2HD2 LEU 55 2HD2 LEU 55 4.348 -5.159 2.758 406 3HD2 LEU 55 3HD2 LEU 55 3.348 -6.039 3.925 407 H THR 56 H THR 56 1.813 -9.247 5.623 408 HA THR 56 HA THR 56 1.519 -11.344 3.564 409 HB THR 56 HB THR 56 0.803 -12.960 5.285 410 HG1 THR 56 HG1 THR 56 1.287 -12.492 7.458 411 1HG2 THR 56 1HG2 THR 56 3.155 -12.983 4.469 412 2HG2 THR 56 2HG2 THR 56 3.634 -11.999 5.863 413 H LYS 57 H LYS 57 -0.757 -12.181 3.615 414 HA LYS 57 HA LYS 57 -2.495 -10.109 3.134 415 1HB LYS 57 1HB LYS 57 -2.554 -12.483 2.314 416 2HB LYS 57 2HB LYS 57 -3.338 -12.948 3.826 417 1HG LYS 57 1HG LYS 57 -4.495 -10.755 2.055 418 2HG LYS 57 2HG LYS 57 -4.714 -12.460 1.664 419 1HD LYS 57 1HD LYS 57 -5.715 -12.833 3.952 420 2HD LYS 57 2HD LYS 57 -5.652 -11.085 4.211 421 1HE LYS 57 1HE LYS 57 -7.856 -11.622 3.488 422 2HE LYS 57 2HE LYS 57 -7.060 -10.771 2.153 423 1HZ LYS 57 1HZ LYS 57 -7.375 -13.686 2.396 424 2HZ LYS 57 2HZ LYS 57 -8.283 -12.701 1.437 425 3HZ LYS 57 3HZ LYS 57 -6.678 -12.897 1.127 426 H GLU 58 H GLU 58 -2.306 -12.109 6.091 427 HA GLU 58 HA GLU 58 -4.478 -11.104 7.500 428 1HB GLU 58 1HB GLU 58 -3.157 -11.659 9.559 429 2HB GLU 58 2HB GLU 58 -3.413 -12.965 8.392 430 1HG GLU 58 1HG GLU 58 -1.148 -12.766 7.537 431 2HG GLU 58 2HG GLU 58 -0.827 -11.373 8.575 432 H LYS 59 H LYS 59 -1.140 -9.675 7.452 433 HA LYS 59 HA LYS 59 -2.247 -7.236 8.772 434 1HB LYS 59 1HB LYS 59 0.657 -7.992 8.418 435 2HB LYS 59 2HB LYS 59 -0.031 -6.686 9.396 436 1HG LYS 59 1HG LYS 59 -1.282 -8.528 10.692 437 2HG LYS 59 2HG LYS 59 -0.216 -9.676 9.866 438 1HD LYS 59 1HD LYS 59 1.770 -8.460 10.778 439 2HD LYS 59 2HD LYS 59 0.673 -7.358 11.627 440 1HE LYS 59 1HE LYS 59 1.453 -9.052 13.179 441 2HE LYS 59 2HE LYS 59 -0.281 -9.279 12.893 442 1HZ LYS 59 1HZ LYS 59 1.886 -10.810 11.634 443 2HZ LYS 59 2HZ LYS 59 0.914 -11.334 12.856 444 3HZ LYS 59 3HZ LYS 59 0.274 -11.037 11.368 445 H ILE 60 H ILE 60 -2.837 -7.794 6.024 446 HA ILE 60 HA ILE 60 -1.824 -5.226 4.949 447 HB ILE 60 HB ILE 60 -1.338 -7.648 3.712 448 1HG1 ILE 60 1HG1 ILE 60 -0.141 -5.640 3.247 449 2HG1 ILE 60 2HG1 ILE 60 -0.709 -6.424 1.750 450 1HG2 ILE 60 1HG2 ILE 60 -3.677 -8.061 3.111 451 2HG2 ILE 60 2HG2 ILE 60 -3.755 -6.520 2.248 452 3HG2 ILE 60 3HG2 ILE 60 -2.657 -7.796 1.699 453 1HD1 ILE 60 1HD1 ILE 60 -2.572 -4.754 1.624 454 2HD1 ILE 60 2HD1 ILE 60 -1.898 -3.934 3.049 455 3HD1 ILE 60 3HD1 ILE 60 -0.970 -4.021 1.544 456 H GLU 61 H GLU 61 -4.391 -7.606 5.342 457 HA GLU 61 HA GLU 61 -6.601 -6.377 4.226 458 1HB GLU 61 1HB GLU 61 -6.502 -8.683 4.985 459 2HB GLU 61 2HB GLU 61 -6.287 -8.182 6.667 460 1HG GLU 61 1HG GLU 61 -8.572 -7.153 6.628 461 2HG GLU 61 2HG GLU 61 -8.738 -7.678 4.946 462 H TYR 62 H TYR 62 -5.859 -6.396 7.767 463 HA TYR 62 HA TYR 62 -7.687 -4.181 8.183 464 1HB TYR 62 1HB TYR 62 -7.266 -4.512 10.516 465 2HB TYR 62 2HB TYR 62 -7.681 -6.011 9.710 466 HD1 TYR 62 HD1 TYR 62 -4.705 -4.036 10.948 467 HD2 TYR 62 HD2 TYR 62 -6.362 -7.931 10.106 468 HE1 TYR 62 HE1 TYR 62 -2.877 -5.088 12.222 469 HE2 TYR 62 HE2 TYR 62 -4.535 -8.979 11.406 470 HH TYR 62 HH TYR 62 -2.701 -8.627 12.756 471 H TYR 63 H TYR 63 -4.272 -4.436 7.548 472 HA TYR 63 HA TYR 63 -3.368 -2.288 9.146 473 1HB TYR 63 1HB TYR 63 -1.928 -4.040 8.236 474 2HB TYR 63 2HB TYR 63 -2.266 -3.499 6.591 475 HD1 TYR 63 HD1 TYR 63 -1.265 -1.686 9.772 476 HD2 TYR 63 HD2 TYR 63 -0.273 -2.646 5.681 477 HE1 TYR 63 HE1 TYR 63 0.747 -0.265 9.925 478 HE2 TYR 63 HE2 TYR 63 1.787 -1.288 5.876 479 HH TYR 63 HH TYR 63 2.641 0.498 8.860 480 H VAL 64 H VAL 64 -4.285 -2.401 5.661 481 HA VAL 64 HA VAL 64 -4.017 0.437 5.262 482 HB VAL 64 HB VAL 64 -5.083 0.089 3.151 483 1HG1 VAL 64 1HG1 VAL 64 -2.731 -0.489 3.306 484 2HG1 VAL 64 2HG1 VAL 64 -3.137 -2.157 3.760 485 3HG1 VAL 64 3HG1 VAL 64 -3.552 -1.544 2.147 486 1HG2 VAL 64 1HG2 VAL 64 -5.798 -2.688 4.162 487 2HG2 VAL 64 2HG2 VAL 64 -6.901 -1.415 3.624 488 3HG2 VAL 64 3HG2 VAL 64 -5.847 -2.220 2.455 489 H GLU 65 H GLU 65 -6.612 -1.663 6.415 490 HA GLU 65 HA GLU 65 -8.768 0.146 6.100 491 1HB GLU 65 1HB GLU 65 -8.887 -2.330 6.532 492 2HB GLU 65 2HB GLU 65 -8.443 -2.006 8.222 493 1HG GLU 65 1HG GLU 65 -10.460 -0.637 8.516 494 2HG GLU 65 2HG GLU 65 -10.832 -0.811 6.791 495 H TRP 66 H TRP 66 -6.407 -0.367 8.757 496 HA TRP 66 HA TRP 66 -7.586 1.547 10.575 497 1HB TRP 66 1HB TRP 66 -4.789 0.415 10.414 498 2HB TRP 66 2HB TRP 66 -5.460 1.331 11.760 499 HD1 TRP 66 HD1 TRP 66 -4.242 -1.289 12.428 500 HE1 TRP 66 HE1 TRP 66 -5.537 -3.263 13.357 501 HE3 TRP 66 HE3 TRP 66 -8.972 -0.104 10.696 502 HZ2 TRP 66 HZ2 TRP 66 -8.248 -4.235 13.362 503 HZ3 TRP 66 HZ3 TRP 66 -10.846 -1.587 11.185 504 HH2 TRP 66 HH2 TRP 66 -10.517 -3.664 12.504 505 H ALA 67 H ALA 67 -5.198 1.795 7.933 506 HA ALA 67 HA ALA 67 -4.193 4.358 8.651 507 1HB ALA 67 1HB ALA 67 -3.029 2.853 7.130 508 2HB ALA 67 2HB ALA 67 -4.329 3.011 5.927 509 3HB ALA 67 3HB ALA 67 -3.340 4.419 6.356 510 H LEU 68 H LEU 68 -6.734 3.419 6.238 511 HA LEU 68 HA LEU 68 -7.419 6.128 5.649 512 1HB LEU 68 1HB LEU 68 -9.216 5.267 4.348 513 2HB LEU 68 2HB LEU 68 -7.770 4.281 4.111 514 HG LEU 68 HG LEU 68 -8.929 2.785 6.004 515 1HD1 LEU 68 1HD1 LEU 68 -10.928 4.421 6.207 516 2HD1 LEU 68 2HD1 LEU 68 -11.343 3.971 4.552 517 3HD1 LEU 68 3HD1 LEU 68 -11.335 2.750 5.840 518 1HD2 LEU 68 1HD2 LEU 68 -8.336 2.022 3.744 519 2HD2 LEU 68 2HD2 LEU 68 -9.936 1.427 4.214 520 3HD2 LEU 68 3HD2 LEU 68 -9.799 2.800 3.097 521 H ASP 69 H ASP 69 -8.583 3.828 8.113 522 HA ASP 69 HA ASP 69 -10.838 5.419 8.898 523 1HB ASP 69 1HB ASP 69 -9.242 3.254 10.329 524 2HB ASP 69 2HB ASP 69 -10.633 4.049 11.059 525 H ALA 70 H ALA 70 -7.390 5.508 9.701 526 HA ALA 70 HA ALA 70 -7.747 7.523 11.806 527 1HB ALA 70 1HB ALA 70 -5.944 5.853 11.930 528 2HB ALA 70 2HB ALA 70 -5.246 6.480 10.421 529 3HB ALA 70 3HB ALA 70 -5.304 7.502 11.876 530 H THR 71 H THR 71 -9.008 8.205 9.331 531 HA THR 71 HA THR 71 -7.847 10.831 8.928 532 HB THR 71 1HB THR 71 -8.395 9.075 6.489 533 HG1 THR 71 HG1 THR 71 -6.485 8.404 7.477 534 1HG2 THR 71 1HG2 THR 71 -7.352 10.951 5.278 535 2HG2 THR 71 2HG2 THR 71 -8.766 11.508 6.187 536 H ALA 72 H ALA 72 -10.304 8.452 7.786 537 HA ALA 72 HA ALA 72 -12.444 10.523 8.016 538 1HB ALA 72 1HB ALA 72 -12.256 8.032 6.288 539 2HB ALA 72 2HB ALA 72 -13.684 9.085 6.435 540 3HB ALA 72 3HB ALA 72 -12.171 9.721 5.766 541 H TYR 73 H TYR 73 -13.024 7.047 7.879 542 HA TYR 73 HA TYR 73 -14.286 5.706 9.104 543 1HB TYR 73 1HB TYR 73 -12.274 5.687 10.506 544 2HB TYR 73 2HB TYR 73 -12.902 7.001 11.485 545 HD1 TYR 73 HD1 TYR 73 -13.969 3.602 10.197 546 HD2 TYR 73 HD2 TYR 73 -13.817 6.316 13.549 547 HE1 TYR 73 HE1 TYR 73 -14.927 1.853 11.659 548 HE2 TYR 73 HE2 TYR 73 -14.776 4.563 15.007 549 HH TYR 73 HH TYR 73 -15.539 2.398 15.150 550 H LYS 74 H LYS 74 -15.953 7.245 8.173 551 HA LYS 74 HA LYS 74 -17.831 8.062 10.339 552 1HB LYS 74 1HB LYS 74 -16.976 9.717 7.938 553 2HB LYS 74 2HB LYS 74 -18.466 10.006 8.853 554 1HG LYS 74 1HG LYS 74 -17.222 10.524 10.863 555 2HG LYS 74 2HG LYS 74 -15.703 9.982 10.133 556 1HD LYS 74 1HD LYS 74 -15.737 12.379 10.151 557 2HD LYS 74 2HD LYS 74 -15.768 11.782 8.487 558 1HE LYS 74 1HE LYS 74 -18.219 12.232 8.382 559 2HE LYS 74 2HE LYS 74 -18.178 12.788 10.067 560 1HZ LYS 74 1HZ LYS 74 -16.685 14.517 9.374 561 2HZ LYS 74 2HZ LYS 74 -16.725 13.982 7.815 562 3HZ LYS 74 3HZ LYS 74 -18.091 14.587 8.514 563 H GLU 75 H GLU 75 -17.404 7.668 6.794 564 HA GLU 75 HA GLU 75 -19.883 6.004 6.681 565 1HB GLU 75 1HB GLU 75 -18.951 8.028 4.605 566 2HB GLU 75 2HB GLU 75 -20.342 6.938 4.495 567 1HG GLU 75 1HG GLU 75 -21.319 8.048 6.523 568 2HG GLU 75 2HG GLU 75 -19.970 9.193 6.515 569 H PHE 76 H PHE 76 -18.349 4.281 7.095 570 HA PHE 76 HA PHE 76 -17.169 3.173 4.661 571 1HB PHE 76 1HB PHE 76 -15.366 4.653 5.396 572 2HB PHE 76 2HB PHE 76 -15.470 4.028 7.039 573 HD1 PHE 76 HD1 PHE 76 -14.465 3.223 3.545 574 HD2 PHE 76 HD2 PHE 76 -14.491 1.883 7.645 575 HE1 PHE 76 HE1 PHE 76 -12.866 1.411 2.970 576 HE2 PHE 76 HE2 PHE 76 -12.952 0.047 7.057 577 HZ PHE 76 1HZ PHE 76 -12.085 -0.163 4.725 578 H ARG 77 H ARG 77 -17.509 1.037 4.728 579 HA ARG 77 HA ARG 77 -17.829 -0.428 7.291 580 1HB ARG 77 1HB ARG 77 -20.007 0.448 6.920 581 2HB ARG 77 2HB ARG 77 -19.965 0.072 5.198 582 1HG ARG 77 1HG ARG 77 -20.057 -2.323 5.658 583 2HG ARG 77 2HG ARG 77 -19.965 -2.027 7.411 584 1HD ARG 77 1HD ARG 77 -22.126 -0.928 7.391 585 2HD ARG 77 2HD ARG 77 -22.135 -0.883 5.620 586 HE ARG 77 HE ARG 77 -21.980 -3.544 6.881 587 1HH1 ARG 77 1HH1 ARG 77 -24.134 -1.122 5.376 588 2HH1 ARG 77 2HH1 ARG 77 -25.352 -2.310 4.987 589 1HH2 ARG 77 1HH2 ARG 77 -23.598 -5.040 6.356 590 2HH2 ARG 77 2HH2 ARG 77 -25.058 -4.518 5.545 591 H VAL 78 H VAL 78 -17.621 -0.510 3.731 592 HA VAL 78 HA VAL 78 -16.590 -1.884 2.330 593 HB VAL 78 HB VAL 78 -15.621 -3.595 4.648 594 1HG1 VAL 78 1HG1 VAL 78 -14.722 -3.366 1.754 595 2HG1 VAL 78 2HG1 VAL 78 -13.879 -4.262 3.034 596 3HG1 VAL 78 3HG1 VAL 78 -15.491 -4.772 2.532 597 1HG2 VAL 78 1HG2 VAL 78 -14.317 -1.252 3.193 598 2HG2 VAL 78 2HG2 VAL 78 -14.829 -1.268 4.897 599 3HG2 VAL 78 3HG2 VAL 78 -13.513 -2.319 4.365 600 H VAL 79 H VAL 79 -17.807 -3.015 0.977 601 HA VAL 79 HA VAL 79 -19.826 -4.944 1.785 602 HB VAL 79 HB VAL 79 -18.505 -4.496 -0.931 603 1HG1 VAL 79 1HG1 VAL 79 -21.090 -5.912 -0.160 604 2HG1 VAL 79 2HG1 VAL 79 -20.533 -5.603 -1.818 605 3HG1 VAL 79 3HG1 VAL 79 -19.616 -6.691 -0.773 606 1HG2 VAL 79 1HG2 VAL 79 -21.090 -3.333 0.163 607 2HG2 VAL 79 2HG2 VAL 79 -19.608 -2.432 -0.268 608 3HG2 VAL 79 3HG2 VAL 79 -20.546 -3.237 -1.523 609 H GLU 80 H GLU 80 -16.685 -5.103 0.073 610 HA GLU 80 HA GLU 80 -15.888 -7.609 1.372 611 1HB GLU 80 1HB GLU 80 -17.333 -8.344 -0.485 612 2HB GLU 80 2HB GLU 80 -16.414 -7.354 -1.629 613 1HG GLU 80 1HG GLU 80 -14.428 -8.747 -1.307 614 2HG GLU 80 2HG GLU 80 -15.233 -9.654 -0.011 615 H LEU 81 H LEU 81 -13.658 -8.050 1.026 616 HA LEU 81 HA LEU 81 -12.049 -5.933 -0.328 617 1HB LEU 81 1HB LEU 81 -10.305 -6.215 1.303 618 2HB LEU 81 2HB LEU 81 -11.818 -5.751 2.072 619 HG LEU 81 HG LEU 81 -11.995 -8.489 2.314 620 1HD1 LEU 81 1HD1 LEU 81 -9.726 -8.841 1.312 621 2HD1 LEU 81 2HD1 LEU 81 -9.027 -7.809 2.568 622 3HD1 LEU 81 3HD1 LEU 81 -9.799 -9.348 3.002 623 1HD2 LEU 81 1HD2 LEU 81 -10.614 -6.530 4.182 624 2HD2 LEU 81 2HD2 LEU 81 -12.350 -6.888 4.103 625 3HD2 LEU 81 3HD2 LEU 81 -11.220 -8.141 4.640 626 H ASP 82 H ASP 82 -10.467 -6.653 -1.704 627 HA ASP 82 HA ASP 82 -11.004 -9.225 -2.829 628 1HB ASP 82 1HB ASP 82 -8.962 -7.084 -3.505 629 2HB ASP 82 2HB ASP 82 -9.165 -8.577 -4.426 630 HA PRO 83 HA PRO 83 -7.940 -11.466 -0.479 631 1HB PRO 83 1HB PRO 83 -7.703 -13.764 -1.939 632 2HB PRO 83 2HB PRO 83 -9.183 -13.345 -1.030 633 1HG PRO 83 1HG PRO 83 -8.651 -12.885 -3.977 634 2HG PRO 83 2HG PRO 83 -10.080 -13.653 -3.230 635 1HD PRO 83 1HD PRO 83 -10.069 -11.029 -3.941 636 2HD PRO 83 2HD PRO 83 -10.898 -11.572 -2.449 637 H SER 84 H SER 84 -7.484 -10.934 -3.974 638 HA SER 84 HA SER 84 -4.582 -11.356 -3.876 639 1HB SER 84 1HB SER 84 -6.453 -10.449 -6.101 640 2HB SER 84 2HB SER 84 -4.724 -10.826 -6.277 641 HG SER 84 HG SER 84 -6.755 -12.602 -5.409 642 H ALA 85 H ALA 85 -4.661 -9.610 -2.045 643 HA ALA 85 HA ALA 85 -4.624 -6.834 -2.897 644 1HB ALA 85 1HB ALA 85 -5.030 -7.509 -0.541 645 2HB ALA 85 2HB ALA 85 -3.403 -8.214 -0.471 646 3HB ALA 85 3HB ALA 85 -3.596 -6.467 -0.682 647 H LYS 86 H LYS 86 -2.607 -5.539 -2.938 648 HA LYS 86 HA LYS 86 -0.215 -7.050 -3.830 649 1HB LYS 86 1HB LYS 86 -0.114 -5.855 -5.909 650 2HB LYS 86 2HB LYS 86 -1.659 -6.712 -5.797 651 1HG LYS 86 1HG LYS 86 -2.715 -4.527 -5.015 652 2HG LYS 86 2HG LYS 86 -1.181 -3.723 -5.384 653 1HD LYS 86 1HD LYS 86 -2.975 -5.218 -7.347 654 2HD LYS 86 2HD LYS 86 -2.794 -3.463 -7.197 655 1HE LYS 86 1HE LYS 86 -0.341 -3.741 -7.756 656 2HE LYS 86 2HE LYS 86 -0.670 -5.448 -8.114 657 1HZ LYS 86 1HZ LYS 86 -1.919 -3.151 -9.432 658 2HZ LYS 86 2HZ LYS 86 -0.735 -4.109 -10.063 659 3HZ LYS 86 3HZ LYS 86 -2.230 -4.736 -9.761 660 H ILE 87 H ILE 87 1.671 -5.897 -4.032 661 HA ILE 87 HA ILE 87 1.846 -3.268 -2.657 662 HB ILE 87 HB ILE 87 3.611 -5.707 -2.229 663 1HG1 ILE 87 1HG1 ILE 87 2.964 -4.952 0.254 664 2HG1 ILE 87 2HG1 ILE 87 1.513 -4.307 -0.585 665 1HG2 ILE 87 1HG2 ILE 87 3.913 -2.834 -1.257 666 2HG2 ILE 87 2HG2 ILE 87 4.875 -4.214 -0.677 667 3HG2 ILE 87 3HG2 ILE 87 5.010 -3.697 -2.354 668 1HD1 ILE 87 1HD1 ILE 87 2.529 -7.195 -0.698 669 2HD1 ILE 87 2HD1 ILE 87 1.261 -6.601 0.386 670 3HD1 ILE 87 3HD1 ILE 87 0.993 -6.610 -1.359 671 H GLU 88 H GLU 88 2.625 -1.870 -4.092 672 HA GLU 88 HA GLU 88 4.175 -2.829 -6.449 673 1HB GLU 88 1HB GLU 88 2.583 -0.276 -6.012 674 2HB GLU 88 2HB GLU 88 3.425 -0.765 -7.488 675 1HG GLU 88 1HG GLU 88 1.985 -2.804 -7.593 676 2HG GLU 88 2HG GLU 88 1.090 -2.226 -6.181 677 H VAL 89 H VAL 89 5.971 -3.013 -4.726 678 HA VAL 89 HA VAL 89 7.156 -0.602 -3.778 679 HB VAL 89 HB VAL 89 7.492 -2.724 -2.680 680 1HG1 VAL 89 1HG1 VAL 89 7.701 -4.218 -4.686 681 2HG1 VAL 89 2HG1 VAL 89 9.333 -3.557 -4.951 682 3HG1 VAL 89 3HG1 VAL 89 8.968 -4.445 -3.471 683 1HG2 VAL 89 1HG2 VAL 89 9.114 -0.891 -2.357 684 2HG2 VAL 89 2HG2 VAL 89 9.887 -2.479 -2.223 685 3HG2 VAL 89 3HG2 VAL 89 10.099 -1.512 -3.692 686 H THR 90 H THR 90 8.197 0.912 -4.869 687 HA THR 90 HA THR 90 9.334 0.292 -7.562 688 HB THR 90 HB THR 90 8.125 2.919 -6.650 689 HG1 THR 90 HG1 THR 90 6.947 0.849 -8.174 690 1HG2 THR 90 1HG2 THR 90 8.782 1.749 -9.405 691 2HG2 THR 90 2HG2 THR 90 8.098 3.356 -9.090 692 H TYR 91 H TYR 91 11.464 0.465 -7.598 693 HA TYR 91 HA TYR 91 12.879 1.971 -5.446 694 1HB TYR 91 1HB TYR 91 14.677 0.199 -6.134 695 2HB TYR 91 2HB TYR 91 13.390 -0.158 -4.990 696 HD1 TYR 91 HD1 TYR 91 11.404 -1.521 -5.713 697 HD2 TYR 91 HD2 TYR 91 14.971 -1.109 -8.096 698 HE1 TYR 91 HE1 TYR 91 10.902 -3.670 -6.835 699 HE2 TYR 91 HE2 TYR 91 14.491 -3.290 -9.172 700 HH TYR 91 HH TYR 91 13.050 -5.060 -9.348 701 H TYR 92 H TYR 92 13.713 3.799 -6.119 702 HA TYR 92 HA TYR 92 14.120 4.265 -8.997 703 1HB TYR 92 1HB TYR 92 14.004 6.254 -6.713 704 2HB TYR 92 2HB TYR 92 13.813 6.564 -8.429 705 HD1 TYR 92 HD1 TYR 92 11.677 5.806 -9.590 706 HD2 TYR 92 HD2 TYR 92 12.217 5.473 -5.326 707 HE1 TYR 92 HE1 TYR 92 9.216 5.803 -9.270 708 HE2 TYR 92 HE2 TYR 92 9.774 5.334 -5.027 709 HH TYR 92 HH TYR 92 7.487 5.652 -7.783 710 H ASP 93 H ASP 93 16.295 2.855 -8.348 711 HA ASP 93 HA ASP 93 18.487 4.679 -7.528 712 1HB ASP 93 1HB ASP 93 18.444 2.456 -6.590 713 2HB ASP 93 2HB ASP 93 18.389 1.717 -8.191 714 H LYS 94 H LYS 94 18.400 6.158 -9.342 715 HA LYS 94 HA LYS 94 18.769 5.161 -12.060 716 1HB LYS 94 1HB LYS 94 18.941 7.992 -10.974 717 2HB LYS 94 2HB LYS 94 18.998 7.482 -12.672 718 1HG LYS 94 1HG LYS 94 16.698 6.235 -11.908 719 2HG LYS 94 2HG LYS 94 16.663 7.619 -10.808 720 1HD LYS 94 1HD LYS 94 16.911 7.685 -13.858 721 2HD LYS 94 2HD LYS 94 15.461 8.059 -12.924 722 1HE LYS 94 1HE LYS 94 16.661 9.983 -11.866 723 2HE LYS 94 2HE LYS 94 18.053 9.650 -12.921 724 1HZ LYS 94 1HZ LYS 94 15.347 10.316 -13.818 725 2HZ LYS 94 2HZ LYS 94 16.646 11.333 -13.811 726 3HZ LYS 94 3HZ LYS 94 16.640 10.008 -14.794 727 H ASN 95 H ASN 95 20.587 3.796 -11.183 728 HA ASN 95 HA ASN 95 23.193 4.981 -11.840 729 1HB ASN 95 1HB ASN 95 22.647 3.612 -9.162 730 2HB ASN 95 2HB ASN 95 24.226 4.085 -9.788 731 1HD2 ASN 95 1HD2 ASN 95 21.759 6.860 -8.021 732 2HD2 ASN 95 2HD2 ASN 95 21.212 5.229 -8.346 733 H LYS 96 H LYS 96 21.366 2.127 -10.628 734 HA LYS 96 HA LYS 96 22.766 0.375 -12.568 735 1HB LYS 96 1HB LYS 96 24.048 0.223 -10.516 736 2HB LYS 96 2HB LYS 96 22.588 0.003 -9.552 737 1HG LYS 96 1HG LYS 96 23.770 -2.096 -9.829 738 2HG LYS 96 2HG LYS 96 22.180 -2.195 -10.589 739 1HD LYS 96 1HD LYS 96 23.204 -1.870 -12.820 740 2HD LYS 96 2HD LYS 96 24.800 -1.655 -12.066 741 1HE LYS 96 1HE LYS 96 24.676 -3.966 -11.169 742 2HE LYS 96 2HE LYS 96 23.074 -4.167 -11.907 743 1HZ LYS 96 1HZ LYS 96 24.085 -3.839 -14.039 744 2HZ LYS 96 2HZ LYS 96 25.573 -3.651 -13.353 745 3HZ LYS 96 3HZ LYS 96 24.795 -5.101 -13.250 746 H LYS 97 H LYS 97 20.356 0.144 -9.872 747 HA LYS 97 HA LYS 97 19.095 -2.020 -11.244 748 1HB LYS 97 1HB LYS 97 19.416 -1.812 -8.767 749 2HB LYS 97 2HB LYS 97 18.160 -0.570 -8.743 750 1HG LYS 97 1HG LYS 97 17.207 -2.678 -8.098 751 2HG LYS 97 2HG LYS 97 16.537 -2.232 -9.676 752 1HD LYS 97 1HD LYS 97 17.928 -3.859 -10.815 753 2HD LYS 97 2HD LYS 97 18.925 -4.098 -9.369 754 1HE LYS 97 1HE LYS 97 16.881 -5.035 -8.208 755 2HE LYS 97 2HE LYS 97 16.017 -4.916 -9.754 756 1HZ LYS 97 1HZ LYS 97 17.641 -6.371 -10.703 757 2HZ LYS 97 2HZ LYS 97 18.445 -6.479 -9.267 758 3HZ LYS 97 3HZ LYS 97 16.915 -7.079 -9.401 759 H LYS 98 H LYS 98 17.954 1.254 -10.336 760 HA LYS 98 HA LYS 98 16.634 2.732 -11.335 761 1HB LYS 98 1HB LYS 98 16.568 0.911 -13.777 762 2HB LYS 98 2HB LYS 98 16.123 2.615 -13.698 763 1HG LYS 98 1HG LYS 98 18.404 3.220 -13.016 764 2HG LYS 98 2HG LYS 98 18.904 1.526 -13.103 765 1HD LYS 98 1HD LYS 98 18.437 1.468 -15.505 766 2HD LYS 98 2HD LYS 98 17.792 3.120 -15.443 767 1HE LYS 98 1HE LYS 98 20.077 3.150 -16.305 768 2HE LYS 98 2HE LYS 98 20.002 3.983 -14.743 769 1HZ LYS 98 1HZ LYS 98 20.914 1.225 -15.164 770 2HZ LYS 98 2HZ LYS 98 21.885 2.533 -14.914 771 3HZ LYS 98 3HZ LYS 98 20.876 2.019 -13.720 772 H GLU 99 H GLU 99 14.489 3.173 -12.293 773 HA GLU 99 HA GLU 99 12.521 2.390 -10.526 774 1HB GLU 99 1HB GLU 99 12.563 4.448 -11.819 775 2HB GLU 99 2HB GLU 99 12.247 3.557 -13.317 776 1HG GLU 99 1HG GLU 99 10.042 2.836 -12.401 777 2HG GLU 99 2HG GLU 99 10.398 3.697 -10.894 778 H GLU 100 H GLU 100 11.679 0.439 -10.247 779 HA GLU 100 HA GLU 100 10.497 -1.066 -12.521 780 1HB GLU 100 1HB GLU 100 12.429 -2.117 -10.439 781 2HB GLU 100 2HB GLU 100 11.343 -3.169 -11.361 782 1HG GLU 100 1HG GLU 100 12.409 -2.469 -13.459 783 2HG GLU 100 2HG GLU 100 13.474 -1.360 -12.578 784 H THR 101 H THR 101 8.411 -0.742 -11.930 785 HA THR 101 HA THR 101 7.519 -0.771 -9.159 786 HB THR 101 1HB THR 101 5.958 -0.742 -11.779 787 HG1 THR 101 HG1 THR 101 7.314 1.057 -11.478 788 1HG2 THR 101 1HG2 THR 101 4.551 -1.462 -9.850 789 2HG2 THR 101 2HG2 THR 101 5.126 -0.060 -8.922 790 H LYS 102 H LYS 102 8.190 -2.790 -8.394 791 HA LYS 102 HA LYS 102 7.406 -5.256 -9.711 792 1HB LYS 102 1HB LYS 102 9.532 -5.012 -8.483 793 2HB LYS 102 2HB LYS 102 8.650 -4.697 -6.995 794 1HG LYS 102 1HG LYS 102 9.455 -6.997 -7.057 795 2HG LYS 102 2HG LYS 102 7.697 -6.949 -7.006 796 1HD LYS 102 1HD LYS 102 8.537 -8.683 -8.530 797 2HD LYS 102 2HD LYS 102 7.531 -7.507 -9.367 798 1HE LYS 102 1HE LYS 102 9.503 -8.134 -10.698 799 2HE LYS 102 2HE LYS 102 9.553 -6.415 -10.304 800 1HZ LYS 102 1HZ LYS 102 11.019 -8.542 -8.907 801 2HZ LYS 102 2HZ LYS 102 11.659 -7.478 -9.993 802 3HZ LYS 102 3HZ LYS 102 11.088 -6.934 -8.545 803 H SER 103 H SER 103 5.201 -5.359 -9.808 804 HA SER 103 HA SER 103 3.509 -4.737 -7.487 805 1HB SER 103 1HB SER 103 1.686 -4.969 -9.115 806 2HB SER 103 2HB SER 103 2.929 -3.833 -9.665 807 HG SER 103 HG SER 103 3.776 -5.498 -10.968 808 H PHE 104 H PHE 104 4.822 -6.715 -6.485 809 HA PHE 104 HA PHE 104 3.871 -9.317 -7.199 810 1HB PHE 104 1HB PHE 104 5.035 -10.114 -5.298 811 2HB PHE 104 2HB PHE 104 6.023 -8.890 -6.071 812 HD1 PHE 104 HD1 PHE 104 6.458 -6.714 -4.925 813 HD2 PHE 104 HD2 PHE 104 4.099 -9.810 -3.068 814 HE1 PHE 104 HE1 PHE 104 6.889 -5.714 -2.697 815 HE2 PHE 104 HE2 PHE 104 4.528 -8.800 -0.849 816 HZ PHE 104 1HZ PHE 104 5.968 -6.780 -0.653 817 HA PRO 105 HA PRO 105 -0.041 -8.993 -5.136 818 1HB PRO 105 1HB PRO 105 -0.951 -11.531 -5.142 819 2HB PRO 105 2HB PRO 105 -0.513 -10.691 -6.638 820 1HG PRO 105 1HG PRO 105 1.301 -12.550 -5.064 821 2HG PRO 105 2HG PRO 105 0.835 -12.680 -6.787 822 1HD PRO 105 1HD PRO 105 3.130 -11.421 -6.018 823 2HD PRO 105 2HD PRO 105 2.139 -10.806 -7.376 824 H ILE 106 H ILE 106 -0.188 -11.910 -3.434 825 HA ILE 106 HA ILE 106 1.308 -11.203 -1.108 826 HB ILE 106 HB ILE 106 -0.697 -9.568 -1.107 827 1HG1 ILE 106 1HG1 ILE 106 -1.200 -9.733 1.213 828 2HG1 ILE 106 2HG1 ILE 106 -0.548 -11.405 1.297 829 1HG2 ILE 106 1HG2 ILE 106 -2.391 -11.175 -1.959 830 2HG2 ILE 106 2HG2 ILE 106 -2.299 -12.070 -0.425 831 3HG2 ILE 106 3HG2 ILE 106 -2.877 -10.407 -0.441 832 1HD1 ILE 106 1HD1 ILE 106 1.134 -9.016 0.425 833 2HD1 ILE 106 2HD1 ILE 106 0.940 -9.450 2.130 834 3HD1 ILE 106 3HD1 ILE 106 1.695 -10.599 1.013 835 H THR 107 H THR 107 1.003 -12.771 0.636 836 HA THR 107 HA THR 107 -0.512 -15.235 -0.033 837 HB THR 107 HB THR 107 1.389 -16.592 0.830 838 HG1 THR 107 HG1 THR 107 2.834 -14.166 0.563 839 1HG2 THR 107 1HG2 THR 107 2.750 -16.539 -1.186 840 2HG2 THR 107 2HG2 THR 107 1.044 -16.316 -1.621 841 H GLU 108 H GLU 108 -1.015 -16.515 1.825 842 HA GLU 108 HA GLU 108 -2.184 -14.870 3.772 843 1HB GLU 108 1HB GLU 108 -1.832 -17.892 3.822 844 2HB GLU 108 2HB GLU 108 -2.977 -16.955 4.791 845 1HG GLU 108 1HG GLU 108 -2.978 -17.271 1.759 846 2HG GLU 108 2HG GLU 108 -4.134 -17.940 2.909 847 H LYS 109 H LYS 109 0.574 -17.138 4.141 848 HA LYS 109 HA LYS 109 1.535 -15.531 6.446 849 1HB LYS 109 1HB LYS 109 1.157 -18.555 6.500 850 2HB LYS 109 2HB LYS 109 2.060 -17.599 7.691 851 1HG LYS 109 1HG LYS 109 -0.021 -16.280 8.152 852 2HG LYS 109 2HG LYS 109 -0.921 -17.398 7.105 853 1HD LYS 109 1HD LYS 109 -0.220 -19.295 8.538 854 2HD LYS 109 2HD LYS 109 0.632 -18.173 9.613 855 1HE LYS 109 1HE LYS 109 -2.363 -18.116 9.023 856 2HE LYS 109 2HE LYS 109 -1.612 -18.810 10.469 857 1HZ LYS 109 1HZ LYS 109 -0.752 -16.645 10.990 858 2HZ LYS 109 2HZ LYS 109 -1.483 -15.994 9.664 859 3HZ LYS 109 3HZ LYS 109 -2.397 -16.620 10.883 860 H GLY 110 H GLY 110 2.596 -14.934 4.263 861 1HA GLY 110 1HA GLY 110 4.619 -16.679 3.190 862 2HA GLY 110 2HA GLY 110 4.367 -14.968 2.840 863 H PHE 111 H PHE 111 5.255 -13.346 4.277 864 HA PHE 111 HA PHE 111 7.710 -14.148 5.725 865 1HB PHE 111 1HB PHE 111 9.060 -12.946 3.967 866 2HB PHE 111 2HB PHE 111 8.348 -14.463 3.444 867 HD1 PHE 111 HD1 PHE 111 8.072 -10.748 3.147 868 HD2 PHE 111 HD2 PHE 111 6.688 -14.562 1.682 869 HE1 PHE 111 HE1 PHE 111 6.926 -9.614 1.273 870 HE2 PHE 111 HE2 PHE 111 5.495 -13.413 -0.160 871 HZ PHE 111 1HZ PHE 111 5.616 -10.944 -0.374 872 H VAL 112 H VAL 112 8.957 -12.406 6.489 873 HA VAL 112 HA VAL 112 7.522 -9.945 7.221 874 HB VAL 112 HB VAL 112 10.217 -11.178 7.914 875 1HG1 VAL 112 1HG1 VAL 112 9.112 -8.490 8.804 876 2HG1 VAL 112 2HG1 VAL 112 10.428 -9.351 9.625 877 3HG1 VAL 112 3HG1 VAL 112 10.646 -8.803 7.964 878 1HG2 VAL 112 1HG2 VAL 112 8.186 -12.172 8.990 879 2HG2 VAL 112 2HG2 VAL 112 9.257 -11.382 10.156 880 3HG2 VAL 112 3HG2 VAL 112 7.772 -10.568 9.632 881 H VAL 113 H VAL 113 8.378 -7.846 6.719 882 HA VAL 113 HA VAL 113 8.945 -7.282 4.094 883 HB VAL 113 HB VAL 113 9.732 -5.696 6.564 884 1HG1 VAL 113 1HG1 VAL 113 9.516 -4.814 3.646 885 2HG1 VAL 113 2HG1 VAL 113 9.727 -3.729 5.035 886 3HG1 VAL 113 3HG1 VAL 113 11.008 -4.865 4.608 887 1HG2 VAL 113 1HG2 VAL 113 7.326 -5.478 4.709 888 2HG2 VAL 113 2HG2 VAL 113 7.290 -6.102 6.374 889 3HG2 VAL 113 3HG2 VAL 113 7.685 -4.408 6.076 890 HA PRO 114 HA PRO 114 13.195 -8.878 4.166 891 1HB PRO 114 1HB PRO 114 13.736 -8.938 1.509 892 2HB PRO 114 2HB PRO 114 12.512 -10.016 2.239 893 1HG PRO 114 1HG PRO 114 12.027 -7.357 0.864 894 2HG PRO 114 2HG PRO 114 11.226 -8.920 0.525 895 1HD PRO 114 1HD PRO 114 10.123 -7.048 2.171 896 2HD PRO 114 2HD PRO 114 9.955 -8.796 2.515 897 H ASP 115 H ASP 115 15.369 -8.147 3.496 898 HA ASP 115 HA ASP 115 15.771 -5.324 3.889 899 1HB ASP 115 1HB ASP 115 17.689 -7.525 3.019 900 2HB ASP 115 2HB ASP 115 18.160 -5.896 3.523 901 H LEU 116 H LEU 116 16.913 -3.922 2.427 902 HA LEU 116 HA LEU 116 15.740 -4.008 -0.228 903 1HB LEU 116 1HB LEU 116 16.277 -1.753 -0.425 904 2HB LEU 116 2HB LEU 116 15.596 -2.032 1.170 905 HG LEU 116 HG LEU 116 18.556 -1.511 0.579 906 1HD1 LEU 116 1HD1 LEU 116 17.114 0.408 0.149 907 2HD1 LEU 116 2HD1 LEU 116 16.389 0.251 1.765 908 3HD1 LEU 116 3HD1 LEU 116 18.108 0.669 1.587 909 1HD2 LEU 116 1HD2 LEU 116 17.078 -1.880 3.214 910 2HD2 LEU 116 2HD2 LEU 116 18.482 -2.805 2.611 911 3HD2 LEU 116 3HD2 LEU 116 18.672 -1.114 3.061 912 H SER 117 H SER 117 17.454 -6.071 -0.208 913 HA SER 117 HA SER 117 19.099 -7.074 -1.331 914 1HB SER 117 1HB SER 117 17.609 -6.437 -3.128 915 2HB SER 117 2HB SER 117 18.431 -4.887 -3.346 916 HG SER 117 HG SER 117 19.160 -6.477 -4.807 917 H GLU 118 H GLU 118 20.258 -4.170 -2.918 918 HA GLU 118 HA GLU 118 22.516 -3.684 -1.168 919 1HB GLU 118 1HB GLU 118 23.187 -5.856 -2.147 920 2HB GLU 118 2HB GLU 118 22.901 -5.233 -3.777 921 1HG GLU 118 1HG GLU 118 24.714 -3.559 -3.447 922 2HG GLU 118 2HG GLU 118 24.957 -4.158 -1.796 923 H HIS 119 H HIS 119 21.402 -3.641 -4.547 924 HA HIS 119 HA HIS 119 22.721 -1.092 -5.132 925 1HB HIS 119 1HB HIS 119 21.938 -1.711 -7.487 926 2HB HIS 119 2HB HIS 119 23.076 -2.780 -6.686 927 HD1 HIS 119 HD1 HIS 119 22.534 -5.097 -7.594 928 HD2 HIS 119 HD2 HIS 119 19.185 -2.973 -6.182 929 HE1 HIS 119 HE1 HIS 119 20.581 -6.742 -7.532 930 H ILE 120 H ILE 120 20.685 -0.627 -3.276 931 HA ILE 120 HA ILE 120 19.145 1.341 -4.674 932 HB ILE 120 HB ILE 120 17.715 -0.510 -5.290 933 1HG1 ILE 120 1HG1 ILE 120 15.603 -0.008 -4.100 934 2HG1 ILE 120 2HG1 ILE 120 16.514 0.991 -2.929 935 1HG2 ILE 120 1HG2 ILE 120 18.458 -2.170 -3.598 936 2HG2 ILE 120 2HG2 ILE 120 17.561 -1.258 -2.357 937 3HG2 ILE 120 3HG2 ILE 120 16.700 -2.041 -3.690 938 1HD1 ILE 120 1HD1 ILE 120 16.442 1.517 -5.939 939 2HD1 ILE 120 2HD1 ILE 120 15.364 2.282 -4.756 940 3HD1 ILE 120 3HD1 ILE 120 17.106 2.576 -4.685 941 H LYS 121 H LYS 121 18.535 2.942 -3.371 942 HA LYS 121 HA LYS 121 19.110 2.809 -0.465 943 1HB LYS 121 1HB LYS 121 20.198 4.537 -1.907 944 2HB LYS 121 2HB LYS 121 18.585 5.144 -2.332 945 1HG LYS 121 1HG LYS 121 18.166 5.658 0.083 946 2HG LYS 121 2HG LYS 121 19.803 5.079 0.461 947 1HD LYS 121 1HD LYS 121 20.724 6.829 -1.083 948 2HD LYS 121 2HD LYS 121 19.067 7.402 -1.378 949 1HE LYS 121 1HE LYS 121 18.817 7.896 1.047 950 2HE LYS 121 2HE LYS 121 20.483 7.349 1.322 951 1HZ LYS 121 1HZ LYS 121 21.226 9.083 -0.135 952 2HZ LYS 121 2HZ LYS 121 19.678 9.591 -0.389 953 3HZ LYS 121 3HZ LYS 121 20.349 9.711 1.113 954 H ASN 122 H ASN 122 16.604 3.681 -2.865 955 HA ASN 122 HA ASN 122 14.647 4.155 -0.675 956 1HB ASN 122 1HB ASN 122 13.811 5.996 -1.824 957 2HB ASN 122 2HB ASN 122 15.558 6.181 -1.647 958 1HD2 ASN 122 1HD2 ASN 122 15.544 5.327 -5.469 959 2HD2 ASN 122 2HD2 ASN 122 15.871 4.246 -4.142 960 HA PRO 123 HA PRO 123 12.252 1.090 -3.197 961 1HB PRO 123 1HB PRO 123 11.814 0.191 -0.365 962 2HB PRO 123 2HB PRO 123 11.921 -0.810 -1.844 963 1HG PRO 123 1HG PRO 123 13.991 -0.702 -0.111 964 2HG PRO 123 2HG PRO 123 14.313 -0.580 -1.870 965 1HD PRO 123 1HD PRO 123 14.060 1.676 0.137 966 2HD PRO 123 2HD PRO 123 15.346 1.378 -1.060 967 H GLY 124 H GLY 124 10.065 1.528 -3.411 968 1HA GLY 124 1HA GLY 124 8.792 3.492 -1.528 969 2HA GLY 124 2HA GLY 124 8.579 3.441 -3.285 970 H PHE 125 H PHE 125 8.358 1.251 -0.452 971 HA PHE 125 HA PHE 125 6.623 -0.686 -1.522 972 1HB PHE 125 1HB PHE 125 7.208 0.239 1.300 973 2HB PHE 125 2HB PHE 125 6.079 -1.064 0.952 974 HD1 PHE 125 HD1 PHE 125 9.656 -0.081 0.821 975 HD2 PHE 125 HD2 PHE 125 6.794 -3.250 0.244 976 HE1 PHE 125 HE1 PHE 125 11.479 -1.767 0.962 977 HE2 PHE 125 HE2 PHE 125 8.624 -4.919 0.312 978 HZ PHE 125 1HZ PHE 125 10.968 -4.180 0.693 979 H ASN 126 H ASN 126 4.775 -0.107 -2.529 980 HA ASN 126 HA ASN 126 2.927 1.864 -1.275 981 1HB ASN 126 1HB ASN 126 3.085 0.627 -4.033 982 2HB ASN 126 2HB ASN 126 1.832 1.760 -3.509 983 1HD2 ASN 126 1HD2 ASN 126 4.762 3.497 -5.294 984 2HD2 ASN 126 2HD2 ASN 126 3.897 2.024 -5.670 985 H LEU 127 H LEU 127 2.266 0.526 0.411 986 HA LEU 127 HA LEU 127 0.836 -1.972 0.084 987 1HB LEU 127 1HB LEU 127 1.078 0.162 2.225 988 2HB LEU 127 2HB LEU 127 -0.048 -1.178 2.411 989 HG LEU 127 HG LEU 127 2.127 -1.372 3.598 990 1HD1 LEU 127 1HD1 LEU 127 0.694 -3.285 3.264 991 2HD1 LEU 127 2HD1 LEU 127 1.440 -3.614 1.684 992 3HD1 LEU 127 3HD1 LEU 127 2.395 -3.758 3.172 993 1HD2 LEU 127 1HD2 LEU 127 3.642 -0.526 1.828 994 2HD2 LEU 127 2HD2 LEU 127 4.129 -2.106 2.466 995 3HD2 LEU 127 3HD2 LEU 127 3.336 -2.007 0.886 996 H ILE 128 H ILE 128 -0.572 -1.532 -1.688 997 HA ILE 128 HA ILE 128 -2.905 0.239 -1.122 998 HB ILE 128 HB ILE 128 -1.315 0.057 -3.704 999 1HG1 ILE 128 1HG1 ILE 128 -1.757 2.348 -1.721 1000 2HG1 ILE 128 2HG1 ILE 128 -0.240 1.459 -2.004 1001 1HG2 ILE 128 1HG2 ILE 128 -3.784 0.202 -4.086 1002 2HG2 ILE 128 2HG2 ILE 128 -3.842 1.641 -3.047 1003 3HG2 ILE 128 3HG2 ILE 128 -2.959 1.665 -4.590 1004 1HD1 ILE 128 1HD1 ILE 128 -0.355 2.273 -4.427 1005 2HD1 ILE 128 2HD1 ILE 128 -1.657 3.370 -3.907 1006 3HD1 ILE 128 3HD1 ILE 128 -0.044 3.506 -3.190 1007 H THR 129 H THR 129 -4.631 -0.996 -1.014 1008 HA THR 129 HA THR 129 -4.807 -3.512 -2.620 1009 HB THR 129 HB THR 129 -6.082 -2.804 0.053 1010 HG1 THR 129 HG1 THR 129 -3.845 -4.401 -0.622 1011 1HG2 THR 129 1HG2 THR 129 -6.536 -5.259 0.137 1012 2HG2 THR 129 2HG2 THR 129 -7.407 -4.469 -1.185 1013 H LYS 130 H LYS 130 -6.438 -3.633 -4.066 1014 HA LYS 130 HA LYS 130 -8.443 -1.528 -4.302 1015 1HB LYS 130 1HB LYS 130 -7.503 -2.508 -6.277 1016 2HB LYS 130 2HB LYS 130 -7.981 -4.140 -5.800 1017 1HG LYS 130 1HG LYS 130 -10.136 -2.037 -6.028 1018 2HG LYS 130 2HG LYS 130 -9.400 -2.636 -7.520 1019 1HD LYS 130 1HD LYS 130 -9.959 -4.935 -6.994 1020 2HD LYS 130 2HD LYS 130 -10.612 -4.467 -5.417 1021 1HE LYS 130 1HE LYS 130 -12.382 -3.172 -6.457 1022 2HE LYS 130 2HE LYS 130 -11.733 -3.526 -8.076 1023 1HZ LYS 130 1HZ LYS 130 -12.749 -5.496 -6.151 1024 2HZ LYS 130 2HZ LYS 130 -13.542 -4.959 -7.494 1025 3HZ LYS 130 3HZ LYS 130 -12.153 -5.837 -7.651 1026 H VAL 131 H VAL 131 -10.417 -1.545 -3.351 1027 HA VAL 131 HA VAL 131 -11.531 -4.059 -2.234 1028 HB VAL 131 HB VAL 131 -12.048 -2.893 -0.122 1029 1HG1 VAL 131 1HG1 VAL 131 -10.019 -4.357 -0.357 1030 2HG1 VAL 131 2HG1 VAL 131 -9.053 -2.890 -0.636 1031 3HG1 VAL 131 3HG1 VAL 131 -9.889 -3.122 0.907 1032 1HG2 VAL 131 1HG2 VAL 131 -11.904 -0.538 -0.890 1033 2HG2 VAL 131 2HG2 VAL 131 -10.866 -0.832 0.511 1034 3HG2 VAL 131 3HG2 VAL 131 -10.154 -0.707 -1.109 1035 H VAL 132 H VAL 132 -13.726 -4.028 -1.797 1036 HA VAL 132 HA VAL 132 -15.330 -2.202 -3.497 1037 HB VAL 132 HB VAL 132 -16.113 -4.810 -2.125 1038 1HG1 VAL 132 1HG1 VAL 132 -17.973 -3.229 -2.799 1039 2HG1 VAL 132 2HG1 VAL 132 -17.399 -3.380 -4.464 1040 3HG1 VAL 132 3HG1 VAL 132 -17.999 -4.805 -3.608 1041 1HG2 VAL 132 1HG2 VAL 132 -15.065 -4.345 -4.942 1042 2HG2 VAL 132 2HG2 VAL 132 -14.338 -5.363 -3.682 1043 3HG2 VAL 132 3HG2 VAL 132 -15.887 -5.823 -4.397 1044 H ILE 133 H ILE 133 -15.598 -0.351 -2.219 1045 HA ILE 133 HA ILE 133 -15.974 -0.567 0.648 1046 HB ILE 133 HB ILE 133 -15.928 1.814 -1.219 1047 1HG1 ILE 133 1HG1 ILE 133 -13.877 0.503 0.620 1048 2HG1 ILE 133 2HG1 ILE 133 -13.833 0.639 -1.156 1049 1HG2 ILE 133 1HG2 ILE 133 -15.932 1.739 1.833 1050 2HG2 ILE 133 2HG2 ILE 133 -15.701 3.193 0.832 1051 3HG2 ILE 133 3HG2 ILE 133 -17.237 2.371 0.805 1052 1HD1 ILE 133 1HD1 ILE 133 -13.631 3.126 -0.911 1053 2HD1 ILE 133 2HD1 ILE 133 -13.520 2.916 0.857 1054 3HD1 ILE 133 3HD1 ILE 133 -12.287 2.214 -0.182 1055 H GLU 134 H GLU 134 -17.778 -0.298 1.828 1056 HA GLU 134 HA GLU 134 -20.358 0.417 0.517 1057 1HB GLU 134 1HB GLU 134 -20.472 -1.726 1.704 1058 2HB GLU 134 2HB GLU 134 -19.791 -1.006 3.151 1059 1HG GLU 134 1HG GLU 134 -22.241 -1.298 3.278 1060 2HG GLU 134 2HG GLU 134 -21.769 0.396 3.455 1061 H LYS 135 H LYS 135 -20.655 2.568 0.680 1062 HA LYS 135 HA LYS 135 -19.371 4.137 2.830 1063 1HB LYS 135 1HB LYS 135 -19.159 4.824 0.492 1064 2HB LYS 135 2HB LYS 135 -20.918 4.960 0.343 1065 1HG LYS 135 1HG LYS 135 -20.927 6.737 2.075 1066 2HG LYS 135 2HG LYS 135 -19.170 6.558 2.272 1067 1HD LYS 135 1HD LYS 135 -18.820 7.210 -0.074 1068 2HD LYS 135 2HD LYS 135 -20.569 7.376 -0.312 1069 1HE LYS 135 1HE LYS 135 -18.924 8.992 1.692 1070 2HE LYS 135 2HE LYS 135 -19.396 9.549 0.077 1071 1HZ LYS 135 1HZ LYS 135 -21.678 9.314 0.721 1072 2HZ LYS 135 2HZ LYS 135 -21.244 8.819 2.232 1073 3HZ LYS 135 3HZ LYS 135 -20.885 10.347 1.733 1074 H LYS 136 H LYS 136 -20.618 3.532 4.668 1075 HA LYS 136 HA LYS 136 -23.534 3.849 4.619 1076 1HB LYS 136 1HB LYS 136 -23.462 3.234 6.947 1077 2HB LYS 136 2HB LYS 136 -22.582 2.067 5.961 1078 1HG LYS 136 1HG LYS 136 -20.453 2.849 6.745 1079 2HG LYS 136 2HG LYS 136 -21.173 4.296 7.482 1080 1HD LYS 136 1HD LYS 136 -22.350 3.010 9.133 1081 2HD LYS 136 2HD LYS 136 -21.904 1.481 8.358 1082 1HE LYS 136 1HE LYS 136 -20.578 1.976 10.403 1083 2HE LYS 136 2HE LYS 136 -19.584 1.759 8.961 1084 1HZ LYS 136 1HZ LYS 136 -20.364 4.342 10.120 1085 2HZ LYS 136 2HZ LYS 136 -18.886 3.625 10.270 1086 3HZ LYS 136 3HZ LYS 136 -19.409 4.133 8.792 No H/Q in entry = 1086 Start of MODEL 2 1 H SER 1 H SER 1 -15.921 10.641 6.945 2 HA SER 1 HA SER 1 -16.425 12.352 5.527 3 1HB SER 1 1HB SER 1 -13.495 12.082 4.726 4 2HB SER 1 2HB SER 1 -14.515 13.515 4.551 5 HG SER 1 HG SER 1 -13.789 12.256 6.984 6 H SER 2 H SER 2 -15.176 9.461 4.065 7 HA SER 2 HA SER 2 -15.563 8.389 2.163 8 1HB SER 2 1HB SER 2 -17.881 9.194 2.106 9 2HB SER 2 2HB SER 2 -17.387 10.662 1.242 10 HG SER 2 HG SER 2 -16.975 8.014 0.361 11 H SER 3 H SER 3 -15.554 11.793 1.011 12 HA SER 3 HA SER 3 -13.357 11.345 -0.840 13 1HB SER 3 1HB SER 3 -13.513 13.809 -1.141 14 2HB SER 3 2HB SER 3 -15.040 12.952 -1.414 15 HG SER 3 HG SER 3 -14.308 14.320 0.958 16 H PHE 4 H PHE 4 -11.667 10.592 0.297 17 HA PHE 4 HA PHE 4 -10.742 10.954 2.749 18 1HB PHE 4 1HB PHE 4 -8.574 10.273 1.992 19 2HB PHE 4 2HB PHE 4 -9.832 9.391 1.148 20 HD1 PHE 4 HD1 PHE 4 -10.515 10.476 -1.278 21 HD2 PHE 4 HD2 PHE 4 -6.747 11.027 0.758 22 HE1 PHE 4 HE1 PHE 4 -9.433 11.010 -3.421 23 HE2 PHE 4 HE2 PHE 4 -5.642 11.370 -1.437 24 HZ PHE 4 1HZ PHE 4 -6.992 11.471 -3.510 25 H ASP 5 H ASP 5 -10.265 12.591 3.998 26 HA ASP 5 HA ASP 5 -9.584 15.241 3.207 27 1HB ASP 5 1HB ASP 5 -10.643 14.549 5.361 28 2HB ASP 5 2HB ASP 5 -9.138 13.758 5.838 29 H LYS 6 H LYS 6 -7.477 16.297 3.886 30 HA LYS 6 HA LYS 6 -5.365 16.650 3.205 31 1HB LYS 6 1HB LYS 6 -3.640 15.252 4.356 32 2HB LYS 6 2HB LYS 6 -4.841 16.033 5.381 33 1HG LYS 6 1HG LYS 6 -6.026 13.982 5.755 34 2HG LYS 6 2HG LYS 6 -5.022 13.103 4.586 35 1HD LYS 6 1HD LYS 6 -3.457 14.453 6.711 36 2HD LYS 6 2HD LYS 6 -4.612 13.266 7.328 37 1HE LYS 6 1HE LYS 6 -2.423 12.236 6.896 38 2HE LYS 6 2HE LYS 6 -3.694 11.517 5.894 39 1HZ LYS 6 1HZ LYS 6 -1.775 13.553 5.016 40 2HZ LYS 6 2HZ LYS 6 -1.711 11.947 4.656 41 3HZ LYS 6 3HZ LYS 6 -2.947 12.871 4.080 42 H GLY 7 H GLY 7 -6.376 16.079 1.083 43 1HA GLY 7 1HA GLY 7 -6.142 13.591 -0.124 44 2HA GLY 7 2HA GLY 7 -6.393 15.126 -0.961 45 H LYS 8 H LYS 8 -4.264 12.546 -0.482 46 HA LYS 8 HA LYS 8 -2.234 11.979 -1.241 47 1HB LYS 8 1HB LYS 8 -2.604 14.225 -3.256 48 2HB LYS 8 2HB LYS 8 -1.517 12.829 -3.382 49 1HG LYS 8 1HG LYS 8 -3.575 11.340 -3.215 50 2HG LYS 8 2HG LYS 8 -4.566 12.794 -3.396 51 1HD LYS 8 1HD LYS 8 -2.483 11.797 -5.389 52 2HD LYS 8 2HD LYS 8 -4.238 11.582 -5.519 53 1HE LYS 8 1HE LYS 8 -4.523 14.062 -5.575 54 2HE LYS 8 2HE LYS 8 -2.755 14.247 -5.556 55 1HZ LYS 8 1HZ LYS 8 -4.299 12.849 -7.613 56 2HZ LYS 8 2HZ LYS 8 -3.622 14.346 -7.752 57 3HZ LYS 8 3HZ LYS 8 -2.659 13.018 -7.584 58 H TYR 9 H TYR 9 -1.980 13.225 1.031 59 HA TYR 9 HA TYR 9 0.405 14.997 0.733 60 1HB TYR 9 1HB TYR 9 -1.544 16.342 1.368 61 2HB TYR 9 2HB TYR 9 -1.885 15.251 2.709 62 HD1 TYR 9 HD1 TYR 9 0.995 17.282 1.329 63 HD2 TYR 9 HD2 TYR 9 -1.115 15.933 4.844 64 HE1 TYR 9 HE1 TYR 9 2.616 18.479 2.767 65 HE2 TYR 9 HE2 TYR 9 0.502 17.139 6.274 66 HH TYR 9 HH TYR 9 2.391 18.450 6.345 67 H LYS 10 H LYS 10 1.371 12.838 0.734 68 HA LYS 10 HA LYS 10 1.544 11.463 3.353 69 1HB LYS 10 1HB LYS 10 3.178 10.024 1.969 70 2HB LYS 10 2HB LYS 10 1.440 9.860 1.731 71 1HG LYS 10 1HG LYS 10 2.971 11.712 -0.085 72 2HG LYS 10 2HG LYS 10 3.112 9.960 -0.289 73 1HD LYS 10 1HD LYS 10 0.746 9.653 -0.557 74 2HD LYS 10 2HD LYS 10 0.402 11.359 -0.264 75 1HE LYS 10 1HE LYS 10 2.065 10.293 -2.583 76 2HE LYS 10 2HE LYS 10 0.354 10.758 -2.665 77 1HZ LYS 10 1HZ LYS 10 0.970 12.964 -2.029 78 2HZ LYS 10 2HZ LYS 10 2.566 12.552 -1.979 79 3HZ LYS 10 3HZ LYS 10 1.749 12.510 -3.410 80 H LYS 11 H LYS 11 2.234 13.625 4.152 81 HA LYS 11 HA LYS 11 3.706 15.123 4.893 82 1HB LYS 11 1HB LYS 11 5.622 12.741 4.871 83 2HB LYS 11 2HB LYS 11 5.846 14.275 5.723 84 1HG LYS 11 1HG LYS 11 5.019 13.059 7.425 85 2HG LYS 11 2HG LYS 11 3.482 13.661 6.797 86 1HD LYS 11 1HD LYS 11 3.158 11.488 5.588 87 2HD LYS 11 2HD LYS 11 4.762 10.956 6.133 88 1HE LYS 11 1HE LYS 11 3.993 11.155 8.497 89 2HE LYS 11 2HE LYS 11 2.375 11.592 7.910 90 1HZ LYS 11 1HZ LYS 11 3.789 9.076 7.362 91 2HZ LYS 11 2HZ LYS 11 2.549 9.272 8.429 92 3HZ LYS 11 3HZ LYS 11 2.286 9.468 6.813 93 H GLY 12 H GLY 12 6.622 13.854 3.587 94 1HA GLY 12 1HA GLY 12 6.368 15.074 0.936 95 2HA GLY 12 2HA GLY 12 7.629 15.747 1.997 96 H ASP 13 H ASP 13 6.270 12.474 1.460 97 HA ASP 13 HA ASP 13 8.959 11.354 0.800 98 1HB ASP 13 1HB ASP 13 6.910 10.261 2.777 99 2HB ASP 13 2HB ASP 13 8.355 9.406 2.214 100 H ASP 14 H ASP 14 8.073 11.734 -1.341 101 HA ASP 14 HA ASP 14 6.789 9.355 -2.405 102 1HB ASP 14 1HB ASP 14 4.947 10.602 -3.531 103 2HB ASP 14 2HB ASP 14 4.788 10.494 -1.785 104 H ALA 15 H ALA 15 9.362 10.271 -2.633 105 HA ALA 15 HA ALA 15 9.805 11.702 -5.127 106 1HB ALA 15 1HB ALA 15 11.612 9.998 -3.359 107 2HB ALA 15 2HB ALA 15 12.144 10.951 -4.760 108 3HB ALA 15 3HB ALA 15 11.457 11.766 -3.342 109 H SER 16 H SER 16 8.692 10.656 -6.771 110 HA SER 16 HA SER 16 8.084 7.997 -6.949 111 1HB SER 16 1HB SER 16 7.062 9.854 -8.240 112 2HB SER 16 2HB SER 16 8.481 9.879 -9.306 113 HG SER 16 HG SER 16 6.741 7.682 -8.839 114 H TYR 17 H TYR 17 10.838 9.599 -8.648 115 HA TYR 17 HA TYR 17 12.448 7.216 -8.339 116 1HB TYR 17 1HB TYR 17 12.960 6.921 -10.724 117 2HB TYR 17 2HB TYR 17 11.309 6.512 -10.300 118 HD1 TYR 17 HD1 TYR 17 9.405 8.024 -10.936 119 HD2 TYR 17 HD2 TYR 17 13.398 8.541 -12.469 120 HE1 TYR 17 HE1 TYR 17 8.538 9.562 -12.671 121 HE2 TYR 17 HE2 TYR 17 12.529 10.058 -14.216 122 HH TYR 17 HH TYR 17 9.057 10.918 -14.458 123 H PHE 18 H PHE 18 13.024 9.314 -7.000 124 HA PHE 18 HA PHE 18 15.145 10.792 -8.503 125 1HB PHE 18 1HB PHE 18 13.023 12.059 -6.745 126 2HB PHE 18 2HB PHE 18 14.326 12.883 -7.601 127 HD1 PHE 18 HD1 PHE 18 14.390 12.507 -10.230 128 HD2 PHE 18 HD2 PHE 18 10.900 11.889 -7.771 129 HE1 PHE 18 HE1 PHE 18 12.944 12.623 -12.243 130 HE2 PHE 18 HE2 PHE 18 9.460 12.053 -9.782 131 HZ PHE 18 1HZ PHE 18 10.477 12.422 -12.017 132 H GLU 19 H GLU 19 16.268 9.015 -7.273 133 HA GLU 19 HA GLU 19 18.042 8.704 -6.017 134 1HB GLU 19 1HB GLU 19 17.729 11.673 -5.372 135 2HB GLU 19 2HB GLU 19 19.178 10.729 -5.072 136 1HG GLU 19 1HG GLU 19 19.357 10.192 -7.473 137 2HG GLU 19 2HG GLU 19 17.942 11.210 -7.810 138 HA PRO 20 HA PRO 20 17.281 8.000 -1.598 139 1HB PRO 20 1HB PRO 20 20.082 9.100 -1.232 140 2HB PRO 20 2HB PRO 20 19.331 7.662 -0.484 141 1HG PRO 20 1HG PRO 20 21.021 7.382 -2.578 142 2HG PRO 20 2HG PRO 20 19.494 6.453 -2.540 143 1HD PRO 20 1HD PRO 20 20.082 8.997 -4.046 144 2HD PRO 20 2HD PRO 20 19.255 7.509 -4.605 145 H THR 21 H THR 21 15.777 9.456 -0.950 146 HA THR 21 HA THR 21 16.603 12.157 -0.044 147 HB THR 21 HB THR 21 14.553 13.086 -1.159 148 HG1 THR 21 HG1 THR 21 14.673 10.676 -2.648 149 1HG2 THR 21 1HG2 THR 21 15.553 13.392 -3.350 150 2HG2 THR 21 2HG2 THR 21 16.812 13.467 -2.102 151 H GLY 22 H GLY 22 13.875 9.813 -0.342 152 1HA GLY 22 1HA GLY 22 13.326 9.762 2.481 153 2HA GLY 22 2HA GLY 22 12.275 10.913 1.656 154 HA PRO 23 HA PRO 23 11.269 6.615 -0.322 155 1HB PRO 23 1HB PRO 23 12.091 4.329 0.906 156 2HB PRO 23 2HB PRO 23 13.133 5.261 -0.205 157 1HG PRO 23 1HG PRO 23 13.078 5.428 2.819 158 2HG PRO 23 2HG PRO 23 14.504 5.164 1.771 159 1HD PRO 23 1HD PRO 23 13.855 7.624 2.687 160 2HD PRO 23 2HD PRO 23 14.460 7.424 1.015 161 H TYR 24 H TYR 24 9.713 4.798 0.335 162 HA TYR 24 HA TYR 24 8.112 5.517 2.719 163 1HB TYR 24 1HB TYR 24 6.222 6.147 1.091 164 2HB TYR 24 2HB TYR 24 7.527 7.294 1.319 165 HD1 TYR 24 HD1 TYR 24 6.247 4.685 -1.052 166 HD2 TYR 24 HD2 TYR 24 8.902 8.024 -0.474 167 HE1 TYR 24 HE1 TYR 24 6.686 4.779 -3.501 168 HE2 TYR 24 HE2 TYR 24 9.461 8.002 -2.877 169 HH TYR 24 HH TYR 24 9.006 7.079 -4.944 170 H LEU 25 H LEU 25 6.001 4.484 2.705 171 HA LEU 25 HA LEU 25 5.720 1.959 1.262 172 1HB LEU 25 1HB LEU 25 7.119 1.509 3.268 173 2HB LEU 25 2HB LEU 25 5.823 2.061 4.320 174 HG LEU 25 HG LEU 25 5.578 -0.283 2.380 175 1HD1 LEU 25 1HD1 LEU 25 7.352 -0.714 4.032 176 2HD1 LEU 25 2HD1 LEU 25 6.242 -0.281 5.351 177 3HD1 LEU 25 3HD1 LEU 25 5.933 -1.721 4.354 178 1HD2 LEU 25 1HD2 LEU 25 3.870 0.580 4.739 179 2HD2 LEU 25 2HD2 LEU 25 3.376 0.523 3.023 180 3HD2 LEU 25 3HD2 LEU 25 3.715 -0.971 3.892 181 H MET 26 H MET 26 3.893 2.840 0.287 182 HA MET 26 HA MET 26 2.059 4.509 1.798 183 1HB MET 26 1HB MET 26 2.025 3.644 -1.108 184 2HB MET 26 2HB MET 26 0.953 4.839 -0.348 185 1HG MET 26 1HG MET 26 3.084 6.061 0.397 186 2HG MET 26 2HG MET 26 3.957 5.020 -0.730 187 1HE MET 26 1HE MET 26 1.888 4.815 -3.184 188 2HE MET 26 2HE MET 26 2.402 6.192 -4.178 189 3HE MET 26 3HE MET 26 3.621 5.155 -3.412 190 H VAL 27 H VAL 27 0.925 3.338 3.269 191 HA VAL 27 HA VAL 27 -0.536 0.889 2.554 192 HB VAL 27 HB VAL 27 -0.454 2.502 5.128 193 1HG1 VAL 27 1HG1 VAL 27 -1.407 -0.339 4.574 194 2HG1 VAL 27 2HG1 VAL 27 -1.248 0.403 6.180 195 3HG1 VAL 27 3HG1 VAL 27 -2.422 1.048 5.033 196 1HG2 VAL 27 1HG2 VAL 27 1.133 0.033 4.312 197 2HG2 VAL 27 2HG2 VAL 27 1.788 1.670 4.567 198 3HG2 VAL 27 3HG2 VAL 27 1.117 0.782 5.924 199 H ASN 28 H ASN 28 -1.988 1.664 0.974 200 HA ASN 28 HA ASN 28 -4.349 3.130 1.961 201 1HB ASN 28 1HB ASN 28 -2.514 4.086 -0.266 202 2HB ASN 28 2HB ASN 28 -4.180 4.674 -0.062 203 1HD2 ASN 28 1HD2 ASN 28 -3.577 6.651 2.824 204 2HD2 ASN 28 2HD2 ASN 28 -4.778 5.677 2.010 205 H VAL 29 H VAL 29 -5.924 3.342 -0.043 206 HA VAL 29 HA VAL 29 -5.957 0.734 -1.489 207 HB VAL 29 HB VAL 29 -8.346 1.917 -0.038 208 1HG1 VAL 29 1HG1 VAL 29 -7.765 -0.857 -1.135 209 2HG1 VAL 29 2HG1 VAL 29 -9.197 -0.370 -0.218 210 3HG1 VAL 29 3HG1 VAL 29 -8.913 0.325 -1.811 211 1HG2 VAL 29 1HG2 VAL 29 -6.411 -0.197 0.978 212 2HG2 VAL 29 2HG2 VAL 29 -6.756 1.379 1.737 213 3HG2 VAL 29 3HG2 VAL 29 -7.996 0.126 1.693 214 H THR 30 H THR 30 -6.996 0.713 -3.418 215 HA THR 30 HA THR 30 -7.988 3.198 -4.674 216 HB THR 30 HB THR 30 -7.797 0.325 -5.697 217 HG1 THR 30 HG1 THR 30 -5.996 1.141 -6.799 218 1HG2 THR 30 1HG2 THR 30 -8.240 2.957 -7.177 219 2HG2 THR 30 2HG2 THR 30 -8.063 1.356 -7.920 220 H GLY 31 H GLY 31 -9.722 3.560 -3.167 221 1HA GLY 31 1HA GLY 31 -11.527 1.438 -2.381 222 2HA GLY 31 2HA GLY 31 -11.590 3.152 -1.960 223 H VAL 32 H VAL 32 -12.397 0.816 -4.542 224 HA VAL 32 HA VAL 32 -13.959 2.710 -6.070 225 HB VAL 32 HB VAL 32 -14.627 0.782 -7.404 226 1HG1 VAL 32 1HG1 VAL 32 -12.462 1.910 -7.826 227 2HG1 VAL 32 2HG1 VAL 32 -11.652 0.727 -6.773 228 3HG1 VAL 32 3HG1 VAL 32 -12.433 0.193 -8.270 229 1HG2 VAL 32 1HG2 VAL 32 -14.806 -0.945 -5.619 230 2HG2 VAL 32 2HG2 VAL 32 -13.802 -1.466 -6.979 231 3HG2 VAL 32 3HG2 VAL 32 -13.034 -0.953 -5.470 232 H ASP 33 H ASP 33 -16.252 2.322 -6.613 233 HA ASP 33 HA ASP 33 -17.897 2.261 -4.241 234 1HB ASP 33 1HB ASP 33 -19.703 2.794 -5.694 235 2HB ASP 33 2HB ASP 33 -18.309 3.754 -6.200 236 H SER 34 H SER 34 -17.386 0.146 -7.031 237 HA SER 34 HA SER 34 -17.856 -2.381 -6.008 238 1HB SER 34 1HB SER 34 -20.176 -1.797 -5.455 239 2HB SER 34 2HB SER 34 -20.413 -1.066 -7.055 240 HG SER 34 HG SER 34 -19.824 -3.787 -6.505 241 H LYS 35 H LYS 35 -19.003 -0.354 -8.743 242 HA LYS 35 HA LYS 35 -18.263 -2.267 -10.762 243 1HB LYS 35 1HB LYS 35 -19.026 0.678 -10.913 244 2HB LYS 35 2HB LYS 35 -18.786 -0.393 -12.305 245 1HG LYS 35 1HG LYS 35 -20.620 -1.854 -11.515 246 2HG LYS 35 2HG LYS 35 -20.817 -0.848 -10.073 247 1HD LYS 35 1HD LYS 35 -22.535 -0.261 -11.623 248 2HD LYS 35 2HD LYS 35 -21.408 1.099 -11.504 249 1HE LYS 35 1HE LYS 35 -20.381 0.460 -13.659 250 2HE LYS 35 2HE LYS 35 -21.398 -0.996 -13.730 251 1HZ LYS 35 1HZ LYS 35 -23.303 0.431 -13.829 252 2HZ LYS 35 2HZ LYS 35 -22.352 1.777 -13.760 253 3HZ LYS 35 3HZ LYS 35 -22.259 0.767 -15.060 254 H GLY 36 H GLY 36 -17.038 1.079 -10.183 255 1HA GLY 36 1HA GLY 36 -14.336 0.643 -9.936 256 2HA GLY 36 2HA GLY 36 -14.608 0.597 -11.690 257 H ASN 37 H ASN 37 -15.673 2.534 -8.856 258 HA ASN 37 HA ASN 37 -14.992 5.064 -10.290 259 1HB ASN 37 1HB ASN 37 -17.547 4.559 -8.703 260 2HB ASN 37 2HB ASN 37 -17.010 6.092 -9.388 261 1HD2 ASN 37 1HD2 ASN 37 -18.727 3.216 -11.801 262 2HD2 ASN 37 2HD2 ASN 37 -18.252 2.846 -10.157 263 H GLU 38 H GLU 38 -13.156 5.399 -9.151 264 HA GLU 38 HA GLU 38 -12.648 4.646 -6.513 265 1HB GLU 38 1HB GLU 38 -10.969 5.117 -8.272 266 2HB GLU 38 2HB GLU 38 -11.336 6.848 -8.152 267 1HG GLU 38 1HG GLU 38 -10.664 6.756 -5.721 268 2HG GLU 38 2HG GLU 38 -10.231 5.050 -5.952 269 H LEU 39 H LEU 39 -13.439 5.414 -4.647 270 HA LEU 39 HA LEU 39 -14.463 8.169 -4.365 271 1HB LEU 39 1HB LEU 39 -14.307 5.871 -2.365 272 2HB LEU 39 2HB LEU 39 -14.951 7.483 -2.071 273 HG LEU 39 HG LEU 39 -16.465 6.915 -4.218 274 1HD1 LEU 39 1HD1 LEU 39 -15.978 4.187 -2.927 275 2HD1 LEU 39 2HD1 LEU 39 -17.223 4.575 -4.132 276 3HD1 LEU 39 3HD1 LEU 39 -15.517 4.641 -4.579 277 1HD2 LEU 39 1HD2 LEU 39 -16.982 5.958 -1.374 278 2HD2 LEU 39 2HD2 LEU 39 -17.323 7.573 -2.044 279 3HD2 LEU 39 3HD2 LEU 39 -18.224 6.168 -2.629 280 H LEU 40 H LEU 40 -11.722 6.094 -3.317 281 HA LEU 40 HA LEU 40 -10.213 8.520 -2.674 282 1HB LEU 40 1HB LEU 40 -9.466 7.590 -0.482 283 2HB LEU 40 2HB LEU 40 -11.145 8.109 -0.588 284 HG LEU 40 HG LEU 40 -11.783 5.634 -0.921 285 1HD1 LEU 40 1HD1 LEU 40 -8.956 5.277 0.186 286 2HD1 LEU 40 2HD1 LEU 40 -10.213 4.020 0.128 287 3HD1 LEU 40 3HD1 LEU 40 -9.560 4.672 -1.367 288 1HD2 LEU 40 1HD2 LEU 40 -10.585 6.600 1.702 289 2HD2 LEU 40 2HD2 LEU 40 -12.234 6.910 1.117 290 3HD2 LEU 40 3HD2 LEU 40 -11.739 5.260 1.518 291 H SER 41 H SER 41 -7.993 8.364 -2.619 292 HA SER 41 HA SER 41 -7.140 6.607 -4.761 293 1HB SER 41 1HB SER 41 -5.784 8.938 -3.347 294 2HB SER 41 2HB SER 41 -5.174 8.139 -4.804 295 HG SER 41 HG SER 41 -7.139 8.701 -5.836 296 HA PRO 42 HA PRO 42 -4.565 4.008 -2.191 297 1HB PRO 42 1HB PRO 42 -2.965 2.801 -3.983 298 2HB PRO 42 2HB PRO 42 -4.732 2.649 -4.068 299 1HG PRO 42 1HG PRO 42 -3.014 4.630 -5.594 300 2HG PRO 42 2HG PRO 42 -4.194 3.476 -6.277 301 1HD PRO 42 1HD PRO 42 -4.877 6.054 -5.725 302 2HD PRO 42 2HD PRO 42 -6.023 4.710 -5.447 303 H HIS 43 H HIS 43 -3.821 6.753 -1.929 304 HA HIS 43 HA HIS 43 -1.219 6.552 -0.885 305 1HB HIS 43 1HB HIS 43 -0.147 8.283 -2.492 306 2HB HIS 43 2HB HIS 43 -0.136 6.581 -2.909 307 HD1 HIS 43 HD1 HIS 43 -2.425 9.606 -3.812 308 HD2 HIS 43 HD2 HIS 43 -0.817 6.020 -5.313 309 HE1 HIS 43 HE1 HIS 43 -3.188 9.415 -6.248 310 H TYR 44 H TYR 44 -1.670 7.760 0.880 311 HA TYR 44 HA TYR 44 -1.772 10.566 0.560 312 1HB TYR 44 1HB TYR 44 -3.867 11.056 1.801 313 2HB TYR 44 2HB TYR 44 -4.073 10.508 0.157 314 HD1 TYR 44 HD1 TYR 44 -4.478 9.561 3.718 315 HD2 TYR 44 HD2 TYR 44 -5.311 8.515 -0.381 316 HE1 TYR 44 HE1 TYR 44 -6.169 7.924 4.478 317 HE2 TYR 44 HE2 TYR 44 -7.164 7.054 0.379 318 HH TYR 44 HH TYR 44 -7.979 6.662 3.844 319 H VAL 45 H VAL 45 -2.509 7.976 3.007 320 HA VAL 45 HA VAL 45 -1.570 9.736 5.087 321 HB VAL 45 HB VAL 45 -3.398 8.109 5.397 322 1HG1 VAL 45 1HG1 VAL 45 -2.292 6.072 4.367 323 2HG1 VAL 45 2HG1 VAL 45 -1.253 5.987 5.806 324 3HG1 VAL 45 3HG1 VAL 45 -3.000 5.829 5.972 325 1HG2 VAL 45 1HG2 VAL 45 -2.281 9.236 7.271 326 2HG2 VAL 45 2HG2 VAL 45 -2.784 7.597 7.715 327 3HG2 VAL 45 3HG2 VAL 45 -1.077 7.932 7.358 328 H GLU 46 H GLU 46 -0.306 6.632 3.804 329 HA GLU 46 HA GLU 46 1.694 5.754 3.605 330 1HB GLU 46 1HB GLU 46 2.111 7.692 2.297 331 2HB GLU 46 2HB GLU 46 2.627 8.648 3.684 332 1HG GLU 46 1HG GLU 46 4.100 6.121 2.832 333 2HG GLU 46 2HG GLU 46 4.366 7.671 2.035 334 H PHE 47 H PHE 47 3.606 5.045 4.600 335 HA PHE 47 HA PHE 47 4.189 5.931 7.351 336 1HB PHE 47 1HB PHE 47 3.704 3.048 6.482 337 2HB PHE 47 2HB PHE 47 4.473 3.506 7.994 338 HD1 PHE 47 HD1 PHE 47 1.282 3.616 6.091 339 HD2 PHE 47 HD2 PHE 47 3.185 4.283 9.895 340 HE1 PHE 47 HE1 PHE 47 -0.948 3.691 7.195 341 HE2 PHE 47 HE2 PHE 47 0.961 4.366 10.991 342 HZ PHE 47 1HZ PHE 47 -1.106 4.060 9.644 343 HA PRO 48 HA PRO 48 8.223 5.660 5.476 344 1HB PRO 48 1HB PRO 48 9.895 5.507 7.620 345 2HB PRO 48 2HB PRO 48 8.947 6.973 7.244 346 1HG PRO 48 1HG PRO 48 8.219 4.778 9.204 347 2HG PRO 48 2HG PRO 48 8.244 6.541 9.500 348 1HD PRO 48 1HD PRO 48 5.943 5.248 8.854 349 2HD PRO 48 2HD PRO 48 6.287 6.873 8.191 350 H ILE 49 H ILE 49 9.644 4.073 4.758 351 HA ILE 49 HA ILE 49 8.792 1.378 5.052 352 HB ILE 49 HB ILE 49 9.725 2.489 3.043 353 1HG1 ILE 49 1HG1 ILE 49 9.358 0.156 2.949 354 2HG1 ILE 49 2HG1 ILE 49 10.865 0.575 2.102 355 1HG2 ILE 49 1HG2 ILE 49 11.696 3.585 4.030 356 2HG2 ILE 49 2HG2 ILE 49 12.496 2.008 4.180 357 3HG2 ILE 49 3HG2 ILE 49 12.060 2.627 2.588 358 1HD1 ILE 49 1HD1 ILE 49 12.139 -0.237 4.150 359 2HD1 ILE 49 2HD1 ILE 49 10.587 -0.860 4.766 360 3HD1 ILE 49 3HD1 ILE 49 11.240 -1.467 3.249 361 H LYS 50 H LYS 50 9.196 0.049 6.691 362 HA LYS 50 HA LYS 50 11.829 0.056 8.048 363 1HB LYS 50 1HB LYS 50 9.112 0.132 9.395 364 2HB LYS 50 2HB LYS 50 10.608 -0.322 10.216 365 1HG LYS 50 1HG LYS 50 10.118 2.385 8.898 366 2HG LYS 50 2HG LYS 50 9.901 2.023 10.611 367 1HD LYS 50 1HD LYS 50 12.292 1.366 10.793 368 2HD LYS 50 2HD LYS 50 12.555 1.853 9.110 369 1HE LYS 50 1HE LYS 50 11.580 3.693 11.332 370 2HE LYS 50 2HE LYS 50 13.238 3.597 10.717 371 1HZ LYS 50 1HZ LYS 50 12.422 4.250 8.573 372 2HZ LYS 50 2HZ LYS 50 10.885 4.372 9.155 373 3HZ LYS 50 3HZ LYS 50 12.060 5.382 9.715 374 HA PRO 51 HA PRO 51 10.793 -4.236 6.955 375 1HB PRO 51 1HB PRO 51 13.268 -5.343 7.101 376 2HB PRO 51 2HB PRO 51 12.857 -4.152 5.834 377 1HG PRO 51 1HG PRO 51 14.232 -3.619 8.481 378 2HG PRO 51 2HG PRO 51 14.792 -3.150 6.847 379 1HD PRO 51 1HD PRO 51 13.391 -1.458 8.463 380 2HD PRO 51 2HD PRO 51 13.156 -1.447 6.686 381 H GLY 52 H GLY 52 11.395 -6.451 8.070 382 1HA GLY 52 1HA GLY 52 11.964 -7.645 10.021 383 2HA GLY 52 2HA GLY 52 11.679 -6.229 11.031 384 H THR 53 H THR 53 9.069 -5.629 9.596 385 HA THR 53 HA THR 53 7.367 -7.091 11.351 386 HB THR 53 HB THR 53 6.934 -4.794 10.625 387 HG1 THR 53 HG1 THR 53 4.920 -6.617 9.828 388 1HG2 THR 53 1HG2 THR 53 6.181 -5.952 7.902 389 2HG2 THR 53 2HG2 THR 53 6.008 -4.273 8.434 390 H THR 54 H THR 54 5.869 -8.716 10.964 391 HA THR 54 HA THR 54 6.312 -10.554 8.753 392 HB THR 54 HB THR 54 4.200 -10.428 10.943 393 HG1 THR 54 HG1 THR 54 5.525 -12.057 11.823 394 1HG2 THR 54 1HG2 THR 54 3.349 -11.800 9.080 395 2HG2 THR 54 2HG2 THR 54 4.906 -12.656 8.988 396 H LEU 55 H LEU 55 4.873 -10.941 7.023 397 HA LEU 55 HA LEU 55 2.929 -8.787 6.394 398 1HB LEU 55 1HB LEU 55 5.479 -8.468 5.711 399 2HB LEU 55 2HB LEU 55 5.075 -9.584 4.426 400 HG LEU 55 HG LEU 55 4.907 -7.376 3.585 401 1HD1 LEU 55 1HD1 LEU 55 3.051 -8.882 2.879 402 2HD1 LEU 55 2HD1 LEU 55 2.026 -8.172 4.150 403 3HD1 LEU 55 3HD1 LEU 55 2.626 -7.159 2.832 404 1HD2 LEU 55 1HD2 LEU 55 4.756 -6.193 5.760 405 2HD2 LEU 55 2HD2 LEU 55 3.625 -5.570 4.549 406 3HD2 LEU 55 3HD2 LEU 55 3.032 -6.606 5.859 407 H THR 56 H THR 56 1.125 -9.759 5.864 408 HA THR 56 HA THR 56 0.913 -11.775 3.811 409 HB THR 56 HB THR 56 1.507 -13.298 5.554 410 HG1 THR 56 HG1 THR 56 -0.398 -14.476 5.793 411 1HG2 THR 56 1HG2 THR 56 1.152 -11.929 7.574 412 2HG2 THR 56 2HG2 THR 56 -0.604 -11.953 7.291 413 H LYS 57 H LYS 57 -1.516 -12.479 3.766 414 HA LYS 57 HA LYS 57 -3.123 -10.335 3.131 415 1HB LYS 57 1HB LYS 57 -3.456 -12.662 2.459 416 2HB LYS 57 2HB LYS 57 -3.958 -13.099 4.108 417 1HG LYS 57 1HG LYS 57 -5.824 -11.368 3.857 418 2HG LYS 57 2HG LYS 57 -5.368 -11.230 2.158 419 1HD LYS 57 1HD LYS 57 -6.405 -13.710 3.621 420 2HD LYS 57 2HD LYS 57 -7.272 -12.698 2.463 421 1HE LYS 57 1HE LYS 57 -6.696 -14.532 1.184 422 2HE LYS 57 2HE LYS 57 -5.429 -13.371 0.753 423 1HZ LYS 57 1HZ LYS 57 -5.213 -15.562 2.706 424 2HZ LYS 57 2HZ LYS 57 -4.589 -15.574 1.182 425 3HZ LYS 57 3HZ LYS 57 -3.994 -14.534 2.308 426 H GLU 58 H GLU 58 -3.444 -12.290 6.163 427 HA GLU 58 HA GLU 58 -5.441 -10.664 7.240 428 1HB GLU 58 1HB GLU 58 -5.119 -11.863 9.334 429 2HB GLU 58 2HB GLU 58 -5.201 -12.888 7.913 430 1HG GLU 58 1HG GLU 58 -3.569 -13.869 9.239 431 2HG GLU 58 2HG GLU 58 -2.679 -13.086 7.940 432 H LYS 59 H LYS 59 -1.904 -10.242 7.558 433 HA LYS 59 HA LYS 59 -2.027 -8.221 9.585 434 1HB LYS 59 1HB LYS 59 -0.004 -8.775 7.379 435 2HB LYS 59 2HB LYS 59 0.198 -7.510 8.590 436 1HG LYS 59 1HG LYS 59 -0.054 -10.479 9.199 437 2HG LYS 59 2HG LYS 59 1.442 -9.538 9.153 438 1HD LYS 59 1HD LYS 59 0.376 -8.018 10.935 439 2HD LYS 59 2HD LYS 59 -0.849 -9.290 11.140 440 1HE LYS 59 1HE LYS 59 2.151 -9.592 11.518 441 2HE LYS 59 2HE LYS 59 0.933 -9.490 12.798 442 1HZ LYS 59 1HZ LYS 59 -0.028 -11.510 11.971 443 2HZ LYS 59 2HZ LYS 59 1.117 -11.620 10.789 444 3HZ LYS 59 3HZ LYS 59 1.554 -11.738 12.375 445 H ILE 60 H ILE 60 -1.814 -7.958 6.011 446 HA ILE 60 HA ILE 60 -1.981 -5.144 5.908 447 HB ILE 60 HB ILE 60 -2.650 -7.288 3.864 448 1HG1 ILE 60 1HG1 ILE 60 -0.289 -7.287 4.570 449 2HG1 ILE 60 2HG1 ILE 60 -0.505 -6.788 2.872 450 1HG2 ILE 60 1HG2 ILE 60 -2.478 -4.278 3.488 451 2HG2 ILE 60 2HG2 ILE 60 -2.337 -5.449 2.161 452 3HG2 ILE 60 3HG2 ILE 60 -3.829 -5.359 3.099 453 1HD1 ILE 60 1HD1 ILE 60 -0.202 -4.395 3.606 454 2HD1 ILE 60 2HD1 ILE 60 0.124 -4.970 5.257 455 3HD1 ILE 60 3HD1 ILE 60 1.196 -5.423 3.932 456 H GLU 61 H GLU 61 -4.613 -7.587 5.900 457 HA GLU 61 HA GLU 61 -6.670 -5.922 5.023 458 1HB GLU 61 1HB GLU 61 -6.639 -8.357 6.817 459 2HB GLU 61 2HB GLU 61 -8.148 -7.506 6.440 460 1HG GLU 61 1HG GLU 61 -7.772 -7.757 4.036 461 2HG GLU 61 2HG GLU 61 -6.260 -8.608 4.319 462 H TYR 62 H TYR 62 -5.915 -6.586 8.543 463 HA TYR 62 HA TYR 62 -7.781 -4.580 9.370 464 1HB TYR 62 1HB TYR 62 -6.943 -4.847 11.575 465 2HB TYR 62 2HB TYR 62 -7.189 -6.407 10.813 466 HD1 TYR 62 HD1 TYR 62 -4.535 -3.896 11.724 467 HD2 TYR 62 HD2 TYR 62 -5.496 -8.034 11.001 468 HE1 TYR 62 HE1 TYR 62 -2.292 -4.550 12.515 469 HE2 TYR 62 HE2 TYR 62 -3.274 -8.694 11.865 470 HH TYR 62 HH TYR 62 -0.870 -6.287 13.005 471 H TYR 63 H TYR 63 -4.281 -4.463 8.679 472 HA TYR 63 HA TYR 63 -3.792 -1.992 9.929 473 1HB TYR 63 1HB TYR 63 -2.073 -3.633 9.387 474 2HB TYR 63 2HB TYR 63 -2.374 -3.419 7.662 475 HD1 TYR 63 HD1 TYR 63 -2.113 -0.543 10.084 476 HD2 TYR 63 HD2 TYR 63 -0.076 -2.966 7.143 477 HE1 TYR 63 HE1 TYR 63 -0.241 1.051 10.066 478 HE2 TYR 63 HE2 TYR 63 1.835 -1.396 7.192 479 HH TYR 63 HH TYR 63 1.846 1.547 9.238 480 H VAL 64 H VAL 64 -4.583 -2.768 6.508 481 HA VAL 64 HA VAL 64 -4.398 -0.029 5.665 482 HB VAL 64 HB VAL 64 -4.009 -2.215 4.321 483 1HG1 VAL 64 1HG1 VAL 64 -6.344 -3.131 4.687 484 2HG1 VAL 64 2HG1 VAL 64 -6.963 -1.815 3.668 485 3HG1 VAL 64 3HG1 VAL 64 -5.850 -3.015 2.991 486 1HG2 VAL 64 1HG2 VAL 64 -5.418 0.206 3.181 487 2HG2 VAL 64 2HG2 VAL 64 -3.675 -0.032 3.376 488 3HG2 VAL 64 3HG2 VAL 64 -4.563 -1.026 2.217 489 H GLU 65 H GLU 65 -7.000 -2.010 6.992 490 HA GLU 65 HA GLU 65 -9.198 -0.321 6.246 491 1HB GLU 65 1HB GLU 65 -8.684 -2.294 8.485 492 2HB GLU 65 2HB GLU 65 -10.169 -1.360 8.449 493 1HG GLU 65 1HG GLU 65 -9.263 -2.986 6.039 494 2HG GLU 65 2HG GLU 65 -10.166 -3.712 7.377 495 H TRP 66 H TRP 66 -6.756 -0.183 8.853 496 HA TRP 66 HA TRP 66 -8.014 1.996 10.279 497 1HB TRP 66 1HB TRP 66 -5.117 1.172 10.325 498 2HB TRP 66 2HB TRP 66 -5.992 2.106 11.532 499 HD1 TRP 66 HD1 TRP 66 -4.339 -0.449 12.211 500 HE1 TRP 66 HE1 TRP 66 -5.395 -2.462 13.340 501 HE3 TRP 66 HE3 TRP 66 -9.284 0.363 10.948 502 HZ2 TRP 66 HZ2 TRP 66 -8.019 -3.618 13.644 503 HZ3 TRP 66 HZ3 TRP 66 -10.991 -1.246 11.634 504 HH2 TRP 66 HH2 TRP 66 -10.391 -3.243 12.982 505 H ALA 67 H ALA 67 -5.713 1.784 7.565 506 HA ALA 67 HA ALA 67 -4.963 4.538 7.525 507 1HB ALA 67 1HB ALA 67 -3.729 2.832 6.289 508 2HB ALA 67 2HB ALA 67 -5.133 2.529 5.243 509 3HB ALA 67 3HB ALA 67 -4.329 4.098 5.195 510 H LEU 68 H LEU 68 -7.790 2.766 6.206 511 HA LEU 68 HA LEU 68 -8.897 5.105 4.871 512 1HB LEU 68 1HB LEU 68 -10.221 2.499 5.704 513 2HB LEU 68 2HB LEU 68 -10.907 3.755 4.660 514 HG LEU 68 HG LEU 68 -8.562 1.921 4.042 515 1HD1 LEU 68 1HD1 LEU 68 -11.282 2.368 2.737 516 2HD1 LEU 68 2HD1 LEU 68 -10.034 1.250 2.158 517 3HD1 LEU 68 3HD1 LEU 68 -10.804 0.970 3.728 518 1HD2 LEU 68 1HD2 LEU 68 -9.528 4.389 2.557 519 2HD2 LEU 68 2HD2 LEU 68 -7.881 4.038 3.148 520 3HD2 LEU 68 3HD2 LEU 68 -8.545 3.117 1.808 521 H ASP 69 H ASP 69 -9.356 3.509 8.047 522 HA ASP 69 HA ASP 69 -11.332 5.479 8.883 523 1HB ASP 69 1HB ASP 69 -11.423 3.125 9.630 524 2HB ASP 69 2HB ASP 69 -9.891 3.333 10.475 525 H ALA 70 H ALA 70 -9.720 7.216 8.205 526 HA ALA 70 HA ALA 70 -8.332 8.305 10.542 527 1HB ALA 70 1HB ALA 70 -6.796 7.620 8.001 528 2HB ALA 70 2HB ALA 70 -6.195 8.586 9.362 529 3HB ALA 70 3HB ALA 70 -6.575 6.871 9.595 530 H THR 71 H THR 71 -8.501 8.613 6.961 531 HA THR 71 HA THR 71 -8.984 11.527 7.197 532 HB THR 71 HB THR 71 -8.450 11.574 4.837 533 HG1 THR 71 HG1 THR 71 -7.771 9.695 3.802 534 1HG2 THR 71 1HG2 THR 71 -6.377 9.922 6.344 535 2HG2 THR 71 2HG2 THR 71 -6.100 10.992 4.960 536 H ALA 72 H ALA 72 -10.252 8.714 5.345 537 HA ALA 72 HA ALA 72 -12.954 9.914 5.148 538 1HB ALA 72 1HB ALA 72 -11.770 7.321 4.076 539 2HB ALA 72 2HB ALA 72 -13.421 7.913 3.780 540 3HB ALA 72 3HB ALA 72 -12.030 8.821 3.161 541 H TYR 73 H TYR 73 -12.707 9.889 7.657 542 HA TYR 73 HA TYR 73 -12.374 7.425 8.976 543 1HB TYR 73 1HB TYR 73 -11.743 9.663 9.834 544 2HB TYR 73 2HB TYR 73 -13.439 10.027 10.117 545 HD1 TYR 73 HD1 TYR 73 -14.736 8.653 11.845 546 HD2 TYR 73 HD2 TYR 73 -10.473 8.304 11.340 547 HE1 TYR 73 HE1 TYR 73 -14.596 7.327 13.928 548 HE2 TYR 73 HE2 TYR 73 -10.329 6.996 13.435 549 HH TYR 73 HH TYR 73 -11.492 6.029 15.168 550 H LYS 74 H LYS 74 -15.296 9.517 8.775 551 HA LYS 74 HA LYS 74 -16.799 7.519 10.282 552 1HB LYS 74 1HB LYS 74 -16.688 9.954 10.820 553 2HB LYS 74 2HB LYS 74 -17.647 10.293 9.371 554 1HG LYS 74 1HG LYS 74 -19.512 8.962 10.269 555 2HG LYS 74 2HG LYS 74 -18.503 8.418 11.629 556 1HD LYS 74 1HD LYS 74 -18.272 10.775 12.394 557 2HD LYS 74 2HD LYS 74 -19.358 11.294 11.088 558 1HE LYS 74 1HE LYS 74 -21.168 9.899 12.035 559 2HE LYS 74 2HE LYS 74 -20.070 9.314 13.302 560 1HZ LYS 74 1HZ LYS 74 -19.872 11.548 14.088 561 2HZ LYS 74 2HZ LYS 74 -20.896 12.100 12.918 562 3HZ LYS 74 3HZ LYS 74 -21.451 11.073 14.085 563 H GLU 75 H GLU 75 -17.218 9.309 7.182 564 HA GLU 75 HA GLU 75 -19.509 7.651 6.437 565 1HB GLU 75 1HB GLU 75 -19.394 10.124 6.120 566 2HB GLU 75 2HB GLU 75 -18.133 9.882 4.905 567 1HG GLU 75 1HG GLU 75 -19.767 8.498 3.567 568 2HG GLU 75 2HG GLU 75 -20.977 8.761 4.826 569 H PHE 76 H PHE 76 -17.969 5.708 6.583 570 HA PHE 76 HA PHE 76 -17.756 4.797 3.912 571 1HB PHE 76 1HB PHE 76 -15.562 4.551 3.479 572 2HB PHE 76 2HB PHE 76 -15.403 5.991 4.462 573 HD1 PHE 76 HD1 PHE 76 -15.272 5.327 7.162 574 HD2 PHE 76 HD2 PHE 76 -14.005 2.866 3.858 575 HE1 PHE 76 HE1 PHE 76 -13.769 4.049 8.680 576 HE2 PHE 76 HE2 PHE 76 -12.520 1.596 5.381 577 HZ PHE 76 1HZ PHE 76 -12.409 2.167 7.781 578 H ARG 77 H ARG 77 -17.466 2.472 3.815 579 HA ARG 77 HA ARG 77 -17.248 0.894 6.230 580 1HB ARG 77 1HB ARG 77 -19.520 1.652 6.573 581 2HB ARG 77 2HB ARG 77 -19.964 1.302 4.901 582 1HG ARG 77 1HG ARG 77 -20.864 -0.350 6.443 583 2HG ARG 77 2HG ARG 77 -19.736 -1.114 5.319 584 1HD ARG 77 1HD ARG 77 -17.998 -1.192 7.064 585 2HD ARG 77 2HD ARG 77 -18.994 -0.196 8.135 586 HE ARG 77 HE ARG 77 -20.162 -2.023 8.794 587 1HH1 ARG 77 1HH1 ARG 77 -18.488 -2.890 5.771 588 2HH1 ARG 77 2HH1 ARG 77 -18.974 -4.567 5.862 589 1HH2 ARG 77 1HH2 ARG 77 -20.774 -4.211 8.872 590 2HH2 ARG 77 2HH2 ARG 77 -20.267 -5.314 7.614 591 H VAL 78 H VAL 78 -15.945 -0.651 5.400 592 HA VAL 78 HA VAL 78 -15.981 -1.281 2.572 593 HB VAL 78 HB VAL 78 -14.351 -2.441 4.855 594 1HG1 VAL 78 1HG1 VAL 78 -14.087 -2.657 1.825 595 2HG1 VAL 78 2HG1 VAL 78 -12.827 -3.144 2.971 596 3HG1 VAL 78 3HG1 VAL 78 -14.374 -4.000 2.953 597 1HG2 VAL 78 1HG2 VAL 78 -13.774 -0.262 2.794 598 2HG2 VAL 78 2HG2 VAL 78 -13.926 -0.050 4.550 599 3HG2 VAL 78 3HG2 VAL 78 -12.567 -0.964 3.881 600 H VAL 79 H VAL 79 -17.962 -2.193 2.121 601 HA VAL 79 HA VAL 79 -19.259 -4.217 3.576 602 HB VAL 79 HB VAL 79 -20.413 -2.815 2.036 603 1HG1 VAL 79 1HG1 VAL 79 -18.725 -2.499 0.266 604 2HG1 VAL 79 2HG1 VAL 79 -18.940 -4.188 -0.250 605 3HG1 VAL 79 3HG1 VAL 79 -20.273 -3.032 -0.395 606 1HG2 VAL 79 1HG2 VAL 79 -21.326 -5.075 2.521 607 2HG2 VAL 79 2HG2 VAL 79 -21.817 -4.462 0.933 608 3HG2 VAL 79 3HG2 VAL 79 -20.547 -5.693 1.047 609 H GLU 80 H GLU 80 -16.881 -4.473 0.908 610 HA GLU 80 HA GLU 80 -16.056 -7.025 2.020 611 1HB GLU 80 1HB GLU 80 -16.121 -8.293 -0.048 612 2HB GLU 80 2HB GLU 80 -17.753 -7.803 0.420 613 1HG GLU 80 1HG GLU 80 -17.703 -5.981 -1.245 614 2HG GLU 80 2HG GLU 80 -16.040 -6.416 -1.694 615 H LEU 81 H LEU 81 -14.021 -7.758 1.100 616 HA LEU 81 HA LEU 81 -12.362 -5.627 -0.101 617 1HB LEU 81 1HB LEU 81 -10.705 -5.743 1.568 618 2HB LEU 81 2HB LEU 81 -12.238 -5.401 2.365 619 HG LEU 81 HG LEU 81 -10.724 -8.055 2.337 620 1HD1 LEU 81 1HD1 LEU 81 -9.703 -6.244 3.682 621 2HD1 LEU 81 2HD1 LEU 81 -11.238 -6.016 4.544 622 3HD1 LEU 81 3HD1 LEU 81 -10.340 -7.538 4.712 623 1HD2 LEU 81 1HD2 LEU 81 -13.359 -7.304 3.686 624 2HD2 LEU 81 2HD2 LEU 81 -13.065 -8.652 2.559 625 3HD2 LEU 81 3HD2 LEU 81 -12.360 -8.689 4.170 626 H ASP 82 H ASP 82 -10.641 -6.321 -1.314 627 HA ASP 82 HA ASP 82 -10.917 -8.944 -2.407 628 1HB ASP 82 1HB ASP 82 -8.847 -6.765 -2.837 629 2HB ASP 82 2HB ASP 82 -8.854 -8.297 -3.707 630 HA PRO 83 HA PRO 83 -8.061 -10.910 0.505 631 1HB PRO 83 1HB PRO 83 -7.728 -13.330 -0.714 632 2HB PRO 83 2HB PRO 83 -9.256 -12.852 0.082 633 1HG PRO 83 1HG PRO 83 -8.579 -12.703 -2.865 634 2HG PRO 83 2HG PRO 83 -10.044 -13.390 -2.108 635 1HD PRO 83 1HD PRO 83 -9.965 -10.860 -3.117 636 2HD PRO 83 2HD PRO 83 -10.918 -11.242 -1.650 637 H SER 84 H SER 84 -7.453 -10.748 -3.019 638 HA SER 84 HA SER 84 -4.591 -11.202 -2.764 639 1HB SER 84 1HB SER 84 -5.882 -12.025 -4.680 640 2HB SER 84 2HB SER 84 -6.291 -10.362 -5.143 641 HG SER 84 HG SER 84 -4.033 -9.984 -5.357 642 H ALA 85 H ALA 85 -4.257 -9.440 -1.178 643 HA ALA 85 HA ALA 85 -4.086 -6.692 -2.109 644 1HB ALA 85 1HB ALA 85 -4.105 -7.270 0.295 645 2HB ALA 85 2HB ALA 85 -2.586 -8.171 0.097 646 3HB ALA 85 3HB ALA 85 -2.617 -6.412 -0.151 647 H LYS 86 H LYS 86 -1.827 -5.678 -2.363 648 HA LYS 86 HA LYS 86 0.086 -7.418 -3.761 649 1HB LYS 86 1HB LYS 86 -0.189 -6.206 -5.890 650 2HB LYS 86 2HB LYS 86 -1.565 -7.203 -5.433 651 1HG LYS 86 1HG LYS 86 -2.740 -5.158 -4.567 652 2HG LYS 86 2HG LYS 86 -1.424 -4.165 -5.205 653 1HD LYS 86 1HD LYS 86 -3.085 -6.102 -6.878 654 2HD LYS 86 2HD LYS 86 -3.541 -4.416 -6.631 655 1HE LYS 86 1HE LYS 86 -0.903 -5.273 -7.896 656 2HE LYS 86 2HE LYS 86 -2.366 -4.835 -8.787 657 1HZ LYS 86 1HZ LYS 86 -2.302 -2.688 -7.781 658 2HZ LYS 86 2HZ LYS 86 -0.932 -3.066 -6.948 659 3HZ LYS 86 3HZ LYS 86 -0.900 -2.991 -8.593 660 H ILE 87 H ILE 87 2.030 -6.808 -3.359 661 HA ILE 87 HA ILE 87 2.687 -4.060 -2.467 662 HB ILE 87 HB ILE 87 4.252 -6.667 -2.511 663 1HG1 ILE 87 1HG1 ILE 87 4.349 -6.322 -0.022 664 2HG1 ILE 87 2HG1 ILE 87 3.104 -5.041 -0.212 665 1HG2 ILE 87 1HG2 ILE 87 5.073 -3.889 -1.556 666 2HG2 ILE 87 2HG2 ILE 87 5.997 -5.373 -1.250 667 3HG2 ILE 87 3HG2 ILE 87 5.790 -4.804 -2.901 668 1HD1 ILE 87 1HD1 ILE 87 2.761 -7.954 -1.047 669 2HD1 ILE 87 2HD1 ILE 87 2.308 -7.314 0.538 670 3HD1 ILE 87 3HD1 ILE 87 1.478 -6.722 -0.898 671 H GLU 88 H GLU 88 3.472 -2.674 -3.947 672 HA GLU 88 HA GLU 88 4.803 -3.679 -6.444 673 1HB GLU 88 1HB GLU 88 3.123 -1.207 -5.899 674 2HB GLU 88 2HB GLU 88 4.259 -1.319 -7.251 675 1HG GLU 88 1HG GLU 88 2.007 -1.875 -7.983 676 2HG GLU 88 2HG GLU 88 3.112 -3.240 -8.168 677 H VAL 89 H VAL 89 6.724 -3.995 -5.227 678 HA VAL 89 HA VAL 89 8.109 -1.782 -3.978 679 HB VAL 89 HB VAL 89 10.160 -3.281 -4.443 680 1HG1 VAL 89 1HG1 VAL 89 7.949 -4.122 -2.549 681 2HG1 VAL 89 2HG1 VAL 89 9.649 -4.624 -2.446 682 3HG1 VAL 89 3HG1 VAL 89 9.219 -2.916 -2.266 683 1HG2 VAL 89 1HG2 VAL 89 9.094 -4.824 -6.089 684 2HG2 VAL 89 2HG2 VAL 89 9.758 -5.654 -4.678 685 3HG2 VAL 89 3HG2 VAL 89 8.010 -5.414 -4.812 686 H THR 90 H THR 90 8.118 -0.032 -5.222 687 HA THR 90 HA THR 90 9.249 -0.046 -7.950 688 HB THR 90 HB THR 90 8.234 2.211 -6.165 689 HG1 THR 90 HG1 THR 90 6.431 2.065 -7.536 690 1HG2 THR 90 1HG2 THR 90 8.883 2.111 -9.147 691 2HG2 THR 90 2HG2 THR 90 8.154 3.486 -8.290 692 H TYR 91 H TYR 91 11.340 -0.865 -7.445 693 HA TYR 91 HA TYR 91 12.891 0.467 -5.346 694 1HB TYR 91 1HB TYR 91 14.527 -1.179 -5.638 695 2HB TYR 91 2HB TYR 91 12.948 -1.884 -5.375 696 HD1 TYR 91 HD1 TYR 91 11.745 -2.959 -7.383 697 HD2 TYR 91 HD2 TYR 91 15.940 -1.978 -7.289 698 HE1 TYR 91 HE1 TYR 91 12.232 -4.875 -8.867 699 HE2 TYR 91 HE2 TYR 91 16.428 -3.954 -8.684 700 HH TYR 91 HH TYR 91 13.860 -6.121 -9.914 701 H TYR 92 H TYR 92 12.893 2.540 -6.233 702 HA TYR 92 HA TYR 92 14.408 3.036 -8.703 703 1HB TYR 92 1HB TYR 92 13.660 5.275 -8.521 704 2HB TYR 92 2HB TYR 92 12.274 4.222 -8.275 705 HD1 TYR 92 HD1 TYR 92 14.532 6.696 -6.710 706 HD2 TYR 92 HD2 TYR 92 11.117 4.146 -6.100 707 HE1 TYR 92 HE1 TYR 92 14.025 7.867 -4.588 708 HE2 TYR 92 HE2 TYR 92 10.718 5.201 -3.900 709 HH TYR 92 HH TYR 92 11.396 6.808 -2.400 710 H ASP 93 H ASP 93 16.267 4.146 -8.862 711 HA ASP 93 HA ASP 93 17.732 5.243 -6.626 712 1HB ASP 93 1HB ASP 93 18.072 2.896 -6.060 713 2HB ASP 93 2HB ASP 93 18.434 2.505 -7.736 714 H LYS 94 H LYS 94 17.768 7.000 -8.034 715 HA LYS 94 HA LYS 94 18.823 6.793 -10.737 716 1HB LYS 94 1HB LYS 94 17.089 8.348 -10.314 717 2HB LYS 94 2HB LYS 94 17.941 9.083 -8.964 718 1HG LYS 94 1HG LYS 94 17.893 10.453 -11.045 719 2HG LYS 94 2HG LYS 94 19.515 10.169 -10.430 720 1HD LYS 94 1HD LYS 94 19.844 8.370 -12.144 721 2HD LYS 94 2HD LYS 94 18.187 8.644 -12.718 722 1HE LYS 94 1HE LYS 94 19.762 9.776 -14.176 723 2HE LYS 94 2HE LYS 94 18.818 10.994 -13.301 724 1HZ LYS 94 1HZ LYS 94 21.528 10.095 -12.600 725 2HZ LYS 94 2HZ LYS 94 21.153 11.507 -13.364 726 3HZ LYS 94 3HZ LYS 94 20.665 11.257 -11.811 727 H ASN 95 H ASN 95 20.713 5.647 -10.032 728 HA ASN 95 HA ASN 95 23.068 7.339 -9.691 729 1HB ASN 95 1HB ASN 95 22.318 5.176 -7.674 730 2HB ASN 95 2HB ASN 95 23.943 5.849 -7.854 731 1HD2 ASN 95 1HD2 ASN 95 21.134 7.842 -5.686 732 2HD2 ASN 95 2HD2 ASN 95 20.818 6.285 -6.423 733 H LYS 96 H LYS 96 21.737 3.979 -9.791 734 HA LYS 96 HA LYS 96 23.233 3.462 -12.213 735 1HB LYS 96 1HB LYS 96 24.411 1.501 -11.473 736 2HB LYS 96 2HB LYS 96 25.015 2.944 -10.675 737 1HG LYS 96 1HG LYS 96 23.076 1.020 -9.306 738 2HG LYS 96 2HG LYS 96 24.820 0.793 -9.337 739 1HD LYS 96 1HD LYS 96 25.202 2.927 -8.206 740 2HD LYS 96 2HD LYS 96 23.466 3.265 -8.204 741 1HE LYS 96 1HE LYS 96 24.129 2.455 -6.029 742 2HE LYS 96 2HE LYS 96 23.035 1.299 -6.808 743 1HZ LYS 96 1HZ LYS 96 25.959 1.070 -6.699 744 2HZ LYS 96 2HZ LYS 96 24.889 0.232 -5.767 745 3HZ LYS 96 3HZ LYS 96 24.929 -0.017 -7.393 746 H LYS 97 H LYS 97 21.124 2.032 -9.662 747 HA LYS 97 HA LYS 97 20.397 -0.151 -11.349 748 1HB LYS 97 1HB LYS 97 20.375 -0.597 -9.063 749 2HB LYS 97 2HB LYS 97 19.461 0.854 -8.679 750 1HG LYS 97 1HG LYS 97 18.064 -1.090 -8.376 751 2HG LYS 97 2HG LYS 97 17.430 -0.086 -9.662 752 1HD LYS 97 1HD LYS 97 19.058 -1.903 -11.062 753 2HD LYS 97 2HD LYS 97 18.453 -2.864 -9.713 754 1HE LYS 97 1HE LYS 97 16.103 -2.025 -10.365 755 2HE LYS 97 2HE LYS 97 16.844 -1.341 -11.811 756 1HZ LYS 97 1HZ LYS 97 17.594 -3.520 -12.401 757 2HZ LYS 97 2HZ LYS 97 16.905 -4.169 -11.050 758 3HZ LYS 97 3HZ LYS 97 15.956 -3.498 -12.218 759 H LYS 98 H LYS 98 18.428 2.656 -10.226 760 HA LYS 98 HA LYS 98 16.933 3.924 -11.288 761 1HB LYS 98 1HB LYS 98 18.271 3.325 -13.391 762 2HB LYS 98 2HB LYS 98 16.960 2.190 -13.776 763 1HG LYS 98 1HG LYS 98 15.343 4.083 -13.725 764 2HG LYS 98 2HG LYS 98 16.680 5.200 -13.401 765 1HD LYS 98 1HD LYS 98 16.380 3.401 -15.856 766 2HD LYS 98 2HD LYS 98 15.940 5.113 -15.778 767 1HE LYS 98 1HE LYS 98 18.319 5.687 -15.265 768 2HE LYS 98 2HE LYS 98 18.755 3.977 -15.482 769 1HZ LYS 98 1HZ LYS 98 17.543 5.692 -17.518 770 2HZ LYS 98 2HZ LYS 98 19.124 5.230 -17.450 771 3HZ LYS 98 3HZ LYS 98 17.947 4.105 -17.705 772 H GLU 99 H GLU 99 14.647 3.940 -11.837 773 HA GLU 99 HA GLU 99 13.042 2.428 -10.213 774 1HB GLU 99 1HB GLU 99 12.514 4.596 -11.225 775 2HB GLU 99 2HB GLU 99 12.272 3.820 -12.800 776 1HG GLU 99 1HG GLU 99 10.374 2.534 -11.905 777 2HG GLU 99 2HG GLU 99 10.728 3.121 -10.271 778 H GLU 100 H GLU 100 11.957 0.603 -10.225 779 HA GLU 100 HA GLU 100 11.176 -0.725 -12.695 780 1HB GLU 100 1HB GLU 100 13.409 -1.729 -12.252 781 2HB GLU 100 2HB GLU 100 12.867 -2.217 -10.639 782 1HG GLU 100 1HG GLU 100 11.001 -3.540 -11.746 783 2HG GLU 100 2HG GLU 100 11.687 -3.103 -13.316 784 H THR 101 H THR 101 9.050 -0.522 -12.225 785 HA THR 101 HA THR 101 7.927 -0.927 -9.567 786 HB THR 101 HB THR 101 6.591 -0.573 -12.278 787 HG1 THR 101 HG1 THR 101 7.208 1.275 -10.222 788 1HG2 THR 101 1HG2 THR 101 4.651 0.165 -10.908 789 2HG2 THR 101 2HG2 THR 101 5.044 -1.527 -10.571 790 H LYS 102 H LYS 102 8.601 -3.025 -9.036 791 HA LYS 102 HA LYS 102 7.807 -5.290 -10.760 792 1HB LYS 102 1HB LYS 102 10.119 -4.922 -9.860 793 2HB LYS 102 2HB LYS 102 9.517 -5.289 -8.249 794 1HG LYS 102 1HG LYS 102 9.485 -7.120 -10.696 795 2HG LYS 102 2HG LYS 102 10.607 -7.199 -9.331 796 1HD LYS 102 1HD LYS 102 8.618 -7.644 -7.814 797 2HD LYS 102 2HD LYS 102 7.630 -7.794 -9.288 798 1HE LYS 102 1HE LYS 102 9.114 -9.597 -10.105 799 2HE LYS 102 2HE LYS 102 10.058 -9.489 -8.603 800 1HZ LYS 102 1HZ LYS 102 7.208 -10.158 -8.794 801 2HZ LYS 102 2HZ LYS 102 8.436 -11.222 -8.513 802 3HZ LYS 102 3HZ LYS 102 8.082 -10.059 -7.398 803 H SER 103 H SER 103 5.690 -5.749 -10.452 804 HA SER 103 HA SER 103 4.366 -5.477 -7.872 805 1HB SER 103 1HB SER 103 2.370 -6.160 -9.134 806 2HB SER 103 2HB SER 103 3.236 -4.842 -9.948 807 HG SER 103 HG SER 103 3.403 -7.600 -10.585 808 H PHE 104 H PHE 104 3.616 -7.091 -6.562 809 HA PHE 104 HA PHE 104 3.554 -9.837 -7.446 810 1HB PHE 104 1HB PHE 104 4.951 -10.817 -5.801 811 2HB PHE 104 2HB PHE 104 5.896 -9.572 -6.579 812 HD1 PHE 104 HD1 PHE 104 4.104 -10.555 -3.479 813 HD2 PHE 104 HD2 PHE 104 6.762 -7.684 -5.295 814 HE1 PHE 104 HE1 PHE 104 4.873 -9.848 -1.236 815 HE2 PHE 104 HE2 PHE 104 7.566 -7.018 -3.040 816 HZ PHE 104 1HZ PHE 104 6.640 -8.110 -1.013 817 HA PRO 105 HA PRO 105 -0.023 -9.443 -4.999 818 1HB PRO 105 1HB PRO 105 -0.952 -11.959 -4.703 819 2HB PRO 105 2HB PRO 105 -0.629 -11.252 -6.295 820 1HG PRO 105 1HG PRO 105 1.288 -12.999 -4.721 821 2HG PRO 105 2HG PRO 105 0.687 -13.263 -6.384 822 1HD PRO 105 1HD PRO 105 3.040 -11.993 -5.910 823 2HD PRO 105 2HD PRO 105 1.954 -11.459 -7.227 824 H ILE 106 H ILE 106 -0.020 -12.220 -3.044 825 HA ILE 106 HA ILE 106 1.394 -11.118 -0.775 826 HB ILE 106 HB ILE 106 -0.717 -9.733 -0.925 827 1HG1 ILE 106 1HG1 ILE 106 -1.533 -10.049 1.380 828 2HG1 ILE 106 2HG1 ILE 106 -0.528 -11.537 1.508 829 1HG2 ILE 106 1HG2 ILE 106 -2.204 -11.479 -1.890 830 2HG2 ILE 106 2HG2 ILE 106 -2.180 -12.341 -0.334 831 3HG2 ILE 106 3HG2 ILE 106 -2.880 -10.726 -0.438 832 1HD1 ILE 106 1HD1 ILE 106 0.490 -8.710 0.924 833 2HD1 ILE 106 2HD1 ILE 106 0.496 -9.472 2.521 834 3HD1 ILE 106 3HD1 ILE 106 1.500 -10.146 1.229 835 H THR 107 H THR 107 1.496 -12.598 0.977 836 HA THR 107 HA THR 107 0.978 -15.412 0.222 837 HB THR 107 HB THR 107 2.445 -15.942 2.087 838 HG1 THR 107 HG1 THR 107 2.534 -13.147 2.527 839 1HG2 THR 107 1HG2 THR 107 3.470 -15.381 -0.102 840 2HG2 THR 107 2HG2 THR 107 3.665 -13.697 0.428 841 H GLU 108 H GLU 108 0.365 -16.846 2.078 842 HA GLU 108 HA GLU 108 -1.739 -15.709 3.855 843 1HB GLU 108 1HB GLU 108 -2.489 -17.523 2.358 844 2HB GLU 108 2HB GLU 108 -1.199 -18.568 2.967 845 1HG GLU 108 1HG GLU 108 -3.325 -19.139 3.999 846 2HG GLU 108 2HG GLU 108 -2.218 -18.537 5.227 847 H LYS 109 H LYS 109 1.395 -17.318 3.598 848 HA LYS 109 HA LYS 109 1.604 -18.402 6.155 849 1HB LYS 109 1HB LYS 109 2.985 -19.036 4.246 850 2HB LYS 109 2HB LYS 109 3.742 -17.447 4.209 851 1HG LYS 109 1HG LYS 109 5.236 -19.047 5.209 852 2HG LYS 109 2HG LYS 109 4.760 -17.884 6.450 853 1HD LYS 109 1HD LYS 109 3.169 -19.507 7.402 854 2HD LYS 109 2HD LYS 109 3.495 -20.640 6.070 855 1HE LYS 109 1HE LYS 109 5.862 -20.802 6.801 856 2HE LYS 109 2HE LYS 109 5.528 -19.673 8.130 857 1HZ LYS 109 1HZ LYS 109 4.272 -22.297 7.752 858 2HZ LYS 109 2HZ LYS 109 5.455 -21.937 8.843 859 3HZ LYS 109 3HZ LYS 109 3.963 -21.251 8.989 860 H GLY 110 H GLY 110 3.578 -15.557 5.106 861 1HA GLY 110 1HA GLY 110 3.324 -13.495 6.684 862 2HA GLY 110 2HA GLY 110 3.664 -14.668 7.953 863 H PHE 111 H PHE 111 4.965 -13.420 4.827 864 HA PHE 111 HA PHE 111 7.666 -14.277 5.504 865 1HB PHE 111 1HB PHE 111 8.374 -13.296 3.499 866 2HB PHE 111 2HB PHE 111 6.883 -14.161 3.171 867 HD1 PHE 111 HD1 PHE 111 4.832 -12.925 2.563 868 HD2 PHE 111 HD2 PHE 111 8.537 -10.861 3.284 869 HE1 PHE 111 HE1 PHE 111 3.945 -10.931 1.381 870 HE2 PHE 111 HE2 PHE 111 7.643 -8.855 2.135 871 HZ PHE 111 1HZ PHE 111 5.346 -8.885 1.181 872 H VAL 112 H VAL 112 9.156 -13.150 6.622 873 HA VAL 112 HA VAL 112 8.580 -10.562 7.813 874 HB VAL 112 HB VAL 112 11.050 -12.336 7.673 875 1HG1 VAL 112 1HG1 VAL 112 10.680 -9.640 9.022 876 2HG1 VAL 112 2HG1 VAL 112 11.975 -10.781 9.439 877 3HG1 VAL 112 3HG1 VAL 112 11.909 -10.079 7.820 878 1HG2 VAL 112 1HG2 VAL 112 9.179 -13.135 9.109 879 2HG2 VAL 112 2HG2 VAL 112 10.577 -12.645 10.079 880 3HG2 VAL 112 3HG2 VAL 112 9.167 -11.573 9.955 881 H VAL 113 H VAL 113 8.925 -8.609 6.860 882 HA VAL 113 HA VAL 113 9.719 -8.309 4.171 883 HB VAL 113 HB VAL 113 9.611 -6.287 6.433 884 1HG1 VAL 113 1HG1 VAL 113 9.834 -5.862 3.414 885 2HG1 VAL 113 2HG1 VAL 113 9.517 -4.589 4.609 886 3HG1 VAL 113 3HG1 VAL 113 11.070 -5.432 4.614 887 1HG2 VAL 113 1HG2 VAL 113 7.659 -6.956 4.182 888 2HG2 VAL 113 2HG2 VAL 113 7.434 -7.318 5.905 889 3HG2 VAL 113 3HG2 VAL 113 7.475 -5.639 5.359 890 HA PRO 114 HA PRO 114 14.031 -9.013 5.307 891 1HB PRO 114 1HB PRO 114 15.103 -9.492 2.866 892 2HB PRO 114 2HB PRO 114 13.827 -10.547 3.531 893 1HG PRO 114 1HG PRO 114 13.452 -8.207 1.630 894 2HG PRO 114 2HG PRO 114 12.895 -9.893 1.404 895 1HD PRO 114 1HD PRO 114 11.284 -7.950 2.457 896 2HD PRO 114 2HD PRO 114 11.211 -9.645 3.022 897 H ASP 115 H ASP 115 16.268 -8.221 4.262 898 HA ASP 115 HA ASP 115 16.414 -5.321 4.249 899 1HB ASP 115 1HB ASP 115 18.779 -5.670 3.919 900 2HB ASP 115 2HB ASP 115 18.202 -6.795 5.142 901 H LEU 116 H LEU 116 18.104 -4.698 2.206 902 HA LEU 116 HA LEU 116 16.748 -5.442 -0.319 903 1HB LEU 116 1HB LEU 116 16.149 -3.280 -0.886 904 2HB LEU 116 2HB LEU 116 15.585 -3.495 0.761 905 HG LEU 116 HG LEU 116 18.052 -1.921 -0.122 906 1HD1 LEU 116 1HD1 LEU 116 15.838 -0.902 -0.609 907 2HD1 LEU 116 2HD1 LEU 116 15.408 -1.047 1.108 908 3HD1 LEU 116 3HD1 LEU 116 16.741 0.014 0.612 909 1HD2 LEU 116 1HD2 LEU 116 16.970 -2.424 2.681 910 2HD2 LEU 116 2HD2 LEU 116 18.606 -2.782 2.063 911 3HD2 LEU 116 3HD2 LEU 116 18.089 -1.110 2.261 912 H SER 117 H SER 117 19.647 -5.211 1.227 913 HA SER 117 HA SER 117 21.747 -5.318 0.528 914 1HB SER 117 1HB SER 117 20.650 -6.971 -1.046 915 2HB SER 117 2HB SER 117 20.706 -5.726 -2.307 916 HG SER 117 HG SER 117 22.908 -6.763 -0.847 917 H GLU 118 H GLU 118 22.815 -4.441 -2.111 918 HA GLU 118 HA GLU 118 23.342 -1.721 -1.171 919 1HB GLU 118 1HB GLU 118 25.060 -3.490 -1.443 920 2HB GLU 118 2HB GLU 118 24.822 -3.454 -3.190 921 1HG GLU 118 1HG GLU 118 25.649 -1.055 -1.473 922 2HG GLU 118 2HG GLU 118 26.786 -2.133 -2.290 923 H HIS 119 H HIS 119 22.584 -3.354 -4.289 924 HA HIS 119 HA HIS 119 22.800 -1.243 -6.010 925 1HB HIS 119 1HB HIS 119 21.418 -2.476 -7.546 926 2HB HIS 119 2HB HIS 119 22.487 -3.576 -6.676 927 HD1 HIS 119 HD1 HIS 119 18.841 -2.965 -7.373 928 HD2 HIS 119 HD2 HIS 119 21.262 -5.134 -4.697 929 HE1 HIS 119 HE1 HIS 119 17.336 -4.713 -6.268 930 H ILE 120 H ILE 120 19.914 -2.062 -4.089 931 HA ILE 120 HA ILE 120 18.748 0.609 -4.714 932 HB ILE 120 HB ILE 120 17.220 -1.186 -5.269 933 1HG1 ILE 120 1HG1 ILE 120 15.324 -0.688 -3.699 934 2HG1 ILE 120 2HG1 ILE 120 16.468 0.201 -2.663 935 1HG2 ILE 120 1HG2 ILE 120 18.121 -2.982 -3.816 936 2HG2 ILE 120 2HG2 ILE 120 17.462 -2.133 -2.404 937 3HG2 ILE 120 3HG2 ILE 120 16.376 -2.792 -3.640 938 1HD1 ILE 120 1HD1 ILE 120 16.016 0.867 -5.606 939 2HD1 ILE 120 2HD1 ILE 120 15.079 1.598 -4.287 940 3HD1 ILE 120 3HD1 ILE 120 16.825 1.858 -4.376 941 H LYS 121 H LYS 121 18.354 1.989 -3.026 942 HA LYS 121 HA LYS 121 18.680 1.144 -0.249 943 1HB LYS 121 1HB LYS 121 20.373 2.802 0.284 944 2HB LYS 121 2HB LYS 121 20.990 1.644 -0.899 945 1HG LYS 121 1HG LYS 121 20.494 3.284 -2.736 946 2HG LYS 121 2HG LYS 121 19.995 4.461 -1.512 947 1HD LYS 121 1HD LYS 121 22.764 3.197 -1.708 948 2HD LYS 121 2HD LYS 121 22.311 4.779 -2.362 949 1HE LYS 121 1HE LYS 121 21.692 5.537 -0.059 950 2HE LYS 121 2HE LYS 121 22.285 3.991 0.584 951 1HZ LYS 121 1HZ LYS 121 23.879 5.945 -0.901 952 2HZ LYS 121 2HZ LYS 121 23.924 5.686 0.728 953 3HZ LYS 121 3HZ LYS 121 24.424 4.504 -0.310 954 H ASN 122 H ASN 122 16.657 2.374 -2.281 955 HA ASN 122 HA ASN 122 15.401 4.229 -0.453 956 1HB ASN 122 1HB ASN 122 15.439 6.172 -1.915 957 2HB ASN 122 2HB ASN 122 17.041 5.743 -1.324 958 1HD2 ASN 122 1HD2 ASN 122 18.242 4.684 -4.628 959 2HD2 ASN 122 2HD2 ASN 122 18.281 4.128 -2.973 960 HA PRO 123 HA PRO 123 12.833 1.838 -3.491 961 1HB PRO 123 1HB PRO 123 11.684 -0.024 -1.907 962 2HB PRO 123 2HB PRO 123 13.435 -0.078 -2.233 963 1HG PRO 123 1HG PRO 123 12.074 1.221 0.155 964 2HG PRO 123 2HG PRO 123 13.341 -0.043 0.195 965 1HD PRO 123 1HD PRO 123 13.959 2.598 0.379 966 2HD PRO 123 2HD PRO 123 14.991 1.455 -0.529 967 H GLY 124 H GLY 124 10.361 1.080 -3.173 968 1HA GLY 124 1HA GLY 124 8.707 3.020 -1.682 969 2HA GLY 124 2HA GLY 124 8.597 3.019 -3.452 970 H PHE 125 H PHE 125 8.212 1.017 -0.536 971 HA PHE 125 HA PHE 125 7.020 -1.289 -1.843 972 1HB PHE 125 1HB PHE 125 7.381 -0.347 1.012 973 2HB PHE 125 2HB PHE 125 6.393 -1.756 0.624 974 HD1 PHE 125 HD1 PHE 125 9.872 -0.412 0.049 975 HD2 PHE 125 HD2 PHE 125 7.345 -3.864 0.622 976 HE1 PHE 125 HE1 PHE 125 11.875 -1.865 0.230 977 HE2 PHE 125 HE2 PHE 125 9.352 -5.297 0.812 978 HZ PHE 125 1HZ PHE 125 11.621 -4.299 0.625 979 H ASN 126 H ASN 126 5.351 -0.211 -3.121 980 HA ASN 126 HA ASN 126 3.322 1.355 -1.703 981 1HB ASN 126 1HB ASN 126 3.617 0.657 -4.639 982 2HB ASN 126 2HB ASN 126 2.517 1.861 -3.942 983 1HD2 ASN 126 1HD2 ASN 126 5.802 3.397 -5.208 984 2HD2 ASN 126 2HD2 ASN 126 4.694 2.247 -5.924 985 H LEU 127 H LEU 127 1.924 0.171 -0.531 986 HA LEU 127 HA LEU 127 0.700 -2.305 -1.521 987 1HB LEU 127 1HB LEU 127 0.410 -0.577 0.948 988 2HB LEU 127 2HB LEU 127 -0.793 -1.805 0.567 989 HG LEU 127 HG LEU 127 0.898 -2.517 2.200 990 1HD1 LEU 127 1HD1 LEU 127 -0.390 -4.147 0.872 991 2HD1 LEU 127 2HD1 LEU 127 0.899 -4.188 -0.347 992 3HD1 LEU 127 3HD1 LEU 127 1.217 -4.750 1.304 993 1HD2 LEU 127 1HD2 LEU 127 2.881 -1.384 1.231 994 2HD2 LEU 127 2HD2 LEU 127 3.156 -3.102 1.567 995 3HD2 LEU 127 3HD2 LEU 127 2.891 -2.565 -0.100 996 H ILE 128 H ILE 128 -0.233 -1.689 -3.472 997 HA ILE 128 HA ILE 128 -2.343 0.405 -3.470 998 HB ILE 128 HB ILE 128 -1.085 -1.159 -5.748 999 1HG1 ILE 128 1HG1 ILE 128 -0.630 1.719 -4.821 1000 2HG1 ILE 128 2HG1 ILE 128 0.491 0.351 -4.594 1001 1HG2 ILE 128 1HG2 ILE 128 -3.449 -0.317 -6.189 1002 2HG2 ILE 128 2HG2 ILE 128 -2.869 1.315 -5.841 1003 3HG2 ILE 128 3HG2 ILE 128 -2.232 0.407 -7.224 1004 1HD1 ILE 128 1HD1 ILE 128 0.629 0.110 -7.090 1005 2HD1 ILE 128 2HD1 ILE 128 -0.330 1.602 -7.257 1006 3HD1 ILE 128 3HD1 ILE 128 1.253 1.651 -6.472 1007 H THR 129 H THR 129 -3.538 -0.960 -1.951 1008 HA THR 129 HA THR 129 -4.618 -3.516 -2.822 1009 HB THR 129 1HB THR 129 -5.319 -1.704 -0.473 1010 HG1 THR 129 HG1 THR 129 -3.153 -2.321 -0.479 1011 1HG2 THR 129 1HG2 THR 129 -5.955 -3.902 0.617 1012 2HG2 THR 129 2HG2 THR 129 -7.068 -3.379 -0.644 1013 H LYS 130 H LYS 130 -7.120 -3.757 -2.737 1014 HA LYS 130 HA LYS 130 -8.616 -1.388 -3.693 1015 1HB LYS 130 1HB LYS 130 -7.763 -2.599 -5.711 1016 2HB LYS 130 2HB LYS 130 -8.570 -4.069 -5.136 1017 1HG LYS 130 1HG LYS 130 -10.779 -2.859 -5.270 1018 2HG LYS 130 2HG LYS 130 -9.915 -1.417 -5.809 1019 1HD LYS 130 1HD LYS 130 -10.837 -2.423 -7.748 1020 2HD LYS 130 2HD LYS 130 -9.087 -2.656 -7.803 1021 1HE LYS 130 1HE LYS 130 -10.241 -4.673 -8.533 1022 2HE LYS 130 2HE LYS 130 -9.404 -5.018 -7.016 1023 1HZ LYS 130 1HZ LYS 130 -12.259 -4.382 -7.300 1024 2HZ LYS 130 2HZ LYS 130 -11.624 -5.886 -7.061 1025 3HZ LYS 130 3HZ LYS 130 -11.491 -4.740 -5.885 1026 H VAL 131 H VAL 131 -10.628 -1.332 -2.759 1027 HA VAL 131 HA VAL 131 -11.920 -3.843 -1.938 1028 HB VAL 131 HB VAL 131 -12.426 -3.211 0.263 1029 1HG1 VAL 131 1HG1 VAL 131 -10.187 -4.186 0.008 1030 2HG1 VAL 131 2HG1 VAL 131 -9.473 -2.568 -0.031 1031 3HG1 VAL 131 3HG1 VAL 131 -10.320 -3.126 1.419 1032 1HG2 VAL 131 1HG2 VAL 131 -11.363 -0.462 -0.403 1033 2HG2 VAL 131 2HG2 VAL 131 -12.945 -0.938 0.222 1034 3HG2 VAL 131 3HG2 VAL 131 -11.530 -1.030 1.275 1035 H VAL 132 H VAL 132 -14.172 -3.599 -1.480 1036 HA VAL 132 HA VAL 132 -15.505 -1.541 -3.128 1037 HB VAL 132 HB VAL 132 -16.555 -4.008 -1.690 1038 1HG1 VAL 132 1HG1 VAL 132 -18.318 -2.297 -2.100 1039 2HG1 VAL 132 2HG1 VAL 132 -17.830 -2.238 -3.797 1040 3HG1 VAL 132 3HG1 VAL 132 -18.545 -3.718 -3.131 1041 1HG2 VAL 132 1HG2 VAL 132 -15.818 -3.571 -4.621 1042 2HG2 VAL 132 2HG2 VAL 132 -15.003 -4.671 -3.488 1043 3HG2 VAL 132 3HG2 VAL 132 -16.667 -4.995 -3.987 1044 H ILE 133 H ILE 133 -16.444 0.213 -2.178 1045 HA ILE 133 HA ILE 133 -16.721 0.281 0.797 1046 HB ILE 133 HB ILE 133 -16.062 2.532 -1.125 1047 1HG1 ILE 133 1HG1 ILE 133 -14.390 0.967 0.885 1048 2HG1 ILE 133 2HG1 ILE 133 -14.188 1.016 -0.889 1049 1HG2 ILE 133 1HG2 ILE 133 -17.432 3.257 0.845 1050 2HG2 ILE 133 2HG2 ILE 133 -16.243 2.500 1.923 1051 3HG2 ILE 133 3HG2 ILE 133 -15.805 3.895 0.909 1052 1HD1 ILE 133 1HD1 ILE 133 -13.667 3.487 -0.664 1053 2HD1 ILE 133 2HD1 ILE 133 -13.665 3.280 1.107 1054 3HD1 ILE 133 3HD1 ILE 133 -12.495 2.402 0.122 1055 H GLU 134 H GLU 134 -18.713 0.294 1.476 1056 HA GLU 134 HA GLU 134 -20.997 1.404 -0.008 1057 1HB GLU 134 1HB GLU 134 -21.310 -0.587 1.362 1058 2HB GLU 134 2HB GLU 134 -20.663 0.237 2.788 1059 1HG GLU 134 1HG GLU 134 -22.556 1.840 2.731 1060 2HG GLU 134 2HG GLU 134 -23.208 1.009 1.306 1061 H LYS 135 H LYS 135 -21.357 3.552 0.031 1062 HA LYS 135 HA LYS 135 -19.740 5.297 1.723 1063 1HB LYS 135 1HB LYS 135 -20.286 5.441 -0.843 1064 2HB LYS 135 2HB LYS 135 -21.802 6.157 -0.307 1065 1HG LYS 135 1HG LYS 135 -20.064 7.720 1.128 1066 2HG LYS 135 2HG LYS 135 -18.958 7.105 -0.089 1067 1HD LYS 135 1HD LYS 135 -19.658 9.029 -1.131 1068 2HD LYS 135 2HD LYS 135 -20.870 7.919 -1.780 1069 1HE LYS 135 1HE LYS 135 -21.178 9.804 0.616 1070 2HE LYS 135 2HE LYS 135 -21.866 10.043 -0.997 1071 1HZ LYS 135 1HZ LYS 135 -23.177 8.076 -0.662 1072 2HZ LYS 135 2HZ LYS 135 -22.548 7.872 0.849 1073 3HZ LYS 135 3HZ LYS 135 -23.473 9.194 0.514 1074 H LYS 136 H LYS 136 -22.727 3.839 2.225 1075 HA LYS 136 HA LYS 136 -24.601 4.225 3.379 1076 1HB LYS 136 1HB LYS 136 -23.392 6.828 4.447 1077 2HB LYS 136 2HB LYS 136 -24.911 6.090 4.896 1078 1HG LYS 136 1HG LYS 136 -23.473 5.544 6.606 1079 2HG LYS 136 2HG LYS 136 -23.673 4.046 5.685 1080 1HD LYS 136 1HD LYS 136 -21.433 4.233 4.782 1081 2HD LYS 136 2HD LYS 136 -21.306 5.934 5.279 1082 1HE LYS 136 1HE LYS 136 -20.011 4.465 6.759 1083 2HE LYS 136 2HE LYS 136 -21.300 5.294 7.640 1084 1HZ LYS 136 1HZ LYS 136 -21.438 2.538 6.638 1085 2HZ LYS 136 2HZ LYS 136 -21.137 2.976 8.200 1086 3HZ LYS 136 3HZ LYS 136 -22.599 3.312 7.516 No H/Q in entry = 1086 Start of MODEL 3 1 H SER 1 H SER 1 -12.012 8.047 6.523 2 HA SER 1 HA SER 1 -10.996 6.969 4.059 3 1HB SER 1 1HB SER 1 -12.604 5.098 4.550 4 2HB SER 1 2HB SER 1 -11.466 5.440 5.856 5 HG SER 1 HG SER 1 -13.060 6.599 6.925 6 H SER 2 H SER 2 -14.424 7.018 4.844 7 HA SER 2 HA SER 2 -15.779 6.516 2.852 8 1HB SER 2 1HB SER 2 -16.317 9.133 4.301 9 2HB SER 2 2HB SER 2 -17.504 8.220 3.344 10 HG SER 2 HG SER 2 -17.120 6.452 4.751 11 H SER 3 H SER 3 -15.288 10.070 2.720 12 HA SER 3 HA SER 3 -14.528 9.872 -0.154 13 1HB SER 3 1HB SER 3 -16.052 11.750 -0.655 14 2HB SER 3 2HB SER 3 -16.921 10.293 -0.146 15 HG SER 3 HG SER 3 -16.298 12.515 1.505 16 H PHE 4 H PHE 4 -12.595 9.978 1.300 17 HA PHE 4 HA PHE 4 -11.411 11.354 2.907 18 1HB PHE 4 1HB PHE 4 -9.368 11.366 1.783 19 2HB PHE 4 2HB PHE 4 -10.288 9.999 1.184 20 HD1 PHE 4 HD1 PHE 4 -11.858 10.836 -1.053 21 HD2 PHE 4 HD2 PHE 4 -8.017 12.366 0.194 22 HE1 PHE 4 HE1 PHE 4 -11.501 11.790 -3.302 23 HE2 PHE 4 HE2 PHE 4 -7.647 13.244 -2.092 24 HZ PHE 4 1HZ PHE 4 -9.382 12.964 -3.839 25 H ASP 5 H ASP 5 -12.092 13.215 3.795 26 HA ASP 5 HA ASP 5 -12.167 15.713 2.191 27 1HB ASP 5 1HB ASP 5 -13.075 15.059 5.016 28 2HB ASP 5 2HB ASP 5 -13.190 16.647 4.244 29 H LYS 6 H LYS 6 -9.788 15.409 1.901 30 HA LYS 6 HA LYS 6 -8.383 17.128 3.771 31 1HB LYS 6 1HB LYS 6 -8.125 14.937 4.853 32 2HB LYS 6 2HB LYS 6 -7.421 14.256 3.380 33 1HG LYS 6 1HG LYS 6 -5.511 15.726 3.504 34 2HG LYS 6 2HG LYS 6 -6.240 16.693 4.796 35 1HD LYS 6 1HD LYS 6 -5.521 13.750 5.087 36 2HD LYS 6 2HD LYS 6 -4.431 15.081 5.506 37 1HE LYS 6 1HE LYS 6 -6.114 15.963 7.116 38 2HE LYS 6 2HE LYS 6 -7.153 14.561 6.791 39 1HZ LYS 6 1HZ LYS 6 -4.436 14.439 7.861 40 2HZ LYS 6 2HZ LYS 6 -5.828 14.264 8.725 41 3HZ LYS 6 3HZ LYS 6 -5.429 13.155 7.574 42 H GLY 7 H GLY 7 -7.971 14.813 1.035 43 1HA GLY 7 1HA GLY 7 -7.515 15.468 -1.175 44 2HA GLY 7 2HA GLY 7 -6.838 16.998 -0.629 45 H LYS 8 H LYS 8 -6.299 13.469 -0.332 46 HA LYS 8 HA LYS 8 -4.485 12.159 -0.309 47 1HB LYS 8 1HB LYS 8 -3.439 14.259 -2.253 48 2HB LYS 8 2HB LYS 8 -2.776 12.625 -2.043 49 1HG LYS 8 1HG LYS 8 -5.006 11.677 -2.605 50 2HG LYS 8 2HG LYS 8 -5.574 13.309 -3.010 51 1HD LYS 8 1HD LYS 8 -3.234 11.888 -4.353 52 2HD LYS 8 2HD LYS 8 -4.884 12.001 -4.990 53 1HE LYS 8 1HE LYS 8 -4.700 14.495 -4.985 54 2HE LYS 8 2HE LYS 8 -2.996 14.342 -4.508 55 1HZ LYS 8 1HZ LYS 8 -4.191 13.247 -6.946 56 2HZ LYS 8 2HZ LYS 8 -3.242 14.592 -6.848 57 3HZ LYS 8 3HZ LYS 8 -2.610 13.109 -6.501 58 H TYR 9 H TYR 9 -1.827 14.074 -0.895 59 HA TYR 9 HA TYR 9 -0.075 14.738 0.239 60 1HB TYR 9 1HB TYR 9 -1.554 16.513 1.000 61 2HB TYR 9 2HB TYR 9 -2.041 15.565 2.401 62 HD1 TYR 9 HD1 TYR 9 0.963 17.064 0.719 63 HD2 TYR 9 HD2 TYR 9 -0.734 15.613 4.410 64 HE1 TYR 9 HE1 TYR 9 2.961 17.854 1.950 65 HE2 TYR 9 HE2 TYR 9 1.266 16.407 5.637 66 HH TYR 9 HH TYR 9 3.999 18.042 3.992 67 H LYS 10 H LYS 10 1.134 12.983 0.546 68 HA LYS 10 HA LYS 10 0.997 11.654 3.203 69 1HB LYS 10 1HB LYS 10 1.671 9.592 2.342 70 2HB LYS 10 2HB LYS 10 0.291 10.137 1.401 71 1HG LYS 10 1HG LYS 10 3.172 9.909 0.509 72 2HG LYS 10 2HG LYS 10 1.750 9.055 -0.064 73 1HD LYS 10 1HD LYS 10 0.850 11.265 -0.924 74 2HD LYS 10 2HD LYS 10 2.441 11.974 -0.558 75 1HE LYS 10 1HE LYS 10 1.959 9.610 -2.417 76 2HE LYS 10 2HE LYS 10 2.207 11.288 -2.926 77 1HZ LYS 10 1HZ LYS 10 4.362 11.220 -1.909 78 2HZ LYS 10 2HZ LYS 10 4.141 9.655 -1.446 79 3HZ LYS 10 3HZ LYS 10 4.216 10.035 -3.046 80 H LYS 11 H LYS 11 2.107 13.947 3.188 81 HA LYS 11 HA LYS 11 3.827 14.904 4.198 82 1HB LYS 11 1HB LYS 11 5.467 12.359 3.947 83 2HB LYS 11 2HB LYS 11 5.761 13.748 4.986 84 1HG LYS 11 1HG LYS 11 3.671 13.306 6.231 85 2HG LYS 11 2HG LYS 11 3.327 11.919 5.180 86 1HD LYS 11 1HD LYS 11 5.534 10.925 5.854 87 2HD LYS 11 2HD LYS 11 5.696 12.213 7.062 88 1HE LYS 11 1HE LYS 11 3.593 11.477 8.134 89 2HE LYS 11 2HE LYS 11 3.382 10.223 6.894 90 1HZ LYS 11 1HZ LYS 11 5.613 10.376 8.789 91 2HZ LYS 11 2HZ LYS 11 4.331 9.342 8.881 92 3HZ LYS 11 3HZ LYS 11 5.402 9.219 7.633 93 H GLY 12 H GLY 12 5.345 12.808 1.715 94 1HA GLY 12 1HA GLY 12 6.143 14.358 -0.319 95 2HA GLY 12 2HA GLY 12 7.224 14.938 0.970 96 H ASP 13 H ASP 13 7.683 12.762 2.461 97 HA ASP 13 HA ASP 13 9.024 10.997 2.726 98 1HB ASP 13 1HB ASP 13 7.994 8.938 1.975 99 2HB ASP 13 2HB ASP 13 6.821 10.105 2.579 100 H ASP 14 H ASP 14 10.521 12.536 1.277 101 HA ASP 14 HA ASP 14 12.376 12.605 0.009 102 1HB ASP 14 1HB ASP 14 12.372 9.588 0.441 103 2HB ASP 14 2HB ASP 14 13.748 10.603 -0.018 104 H ALA 15 H ALA 15 10.363 12.968 -1.624 105 HA ALA 15 HA ALA 15 9.791 13.024 -3.783 106 1HB ALA 15 1HB ALA 15 12.262 13.544 -3.820 107 2HB ALA 15 2HB ALA 15 12.545 11.875 -4.363 108 3HB ALA 15 3HB ALA 15 11.574 12.991 -5.347 109 H SER 16 H SER 16 10.637 11.357 -6.004 110 HA SER 16 HA SER 16 9.590 8.676 -5.574 111 1HB SER 16 1HB SER 16 7.567 9.132 -7.031 112 2HB SER 16 2HB SER 16 7.493 9.803 -5.394 113 HG SER 16 HG SER 16 8.339 11.276 -7.659 114 H TYR 17 H TYR 17 10.531 11.293 -7.816 115 HA TYR 17 HA TYR 17 11.723 9.261 -9.650 116 1HB TYR 17 1HB TYR 17 10.004 11.663 -10.393 117 2HB TYR 17 2HB TYR 17 11.032 10.811 -11.536 118 HD1 TYR 17 HD1 TYR 17 7.975 10.463 -9.457 119 HD2 TYR 17 HD2 TYR 17 10.404 8.805 -12.607 120 HE1 TYR 17 HE1 TYR 17 6.133 8.927 -10.069 121 HE2 TYR 17 HE2 TYR 17 8.521 7.360 -13.295 122 HH TYR 17 HH TYR 17 6.379 6.660 -12.836 123 H PHE 18 H PHE 18 13.032 10.654 -7.504 124 HA PHE 18 HA PHE 18 14.960 12.295 -9.047 125 1HB PHE 18 1HB PHE 18 13.482 13.322 -6.599 126 2HB PHE 18 2HB PHE 18 14.856 14.099 -7.372 127 HD1 PHE 18 HD1 PHE 18 14.667 15.102 -9.639 128 HD2 PHE 18 HD2 PHE 18 11.232 13.480 -7.594 129 HE1 PHE 18 HE1 PHE 18 13.160 16.254 -11.238 130 HE2 PHE 18 HE2 PHE 18 9.737 14.629 -9.195 131 HZ PHE 18 1HZ PHE 18 10.696 16.017 -11.021 132 H GLU 19 H GLU 19 15.985 10.168 -8.637 133 HA GLU 19 HA GLU 19 17.817 9.211 -7.874 134 1HB GLU 19 1HB GLU 19 18.280 11.816 -6.343 135 2HB GLU 19 2HB GLU 19 19.516 10.707 -6.917 136 1HG GLU 19 1HG GLU 19 17.734 12.455 -8.638 137 2HG GLU 19 2HG GLU 19 19.468 12.598 -8.368 138 HA PRO 20 HA PRO 20 17.481 7.517 -3.786 139 1HB PRO 20 1HB PRO 20 20.440 7.747 -3.274 140 2HB PRO 20 2HB PRO 20 19.384 6.303 -3.276 141 1HG PRO 20 1HG PRO 20 21.093 6.822 -5.299 142 2HG PRO 20 2HG PRO 20 19.440 6.229 -5.653 143 1HD PRO 20 1HD PRO 20 20.408 9.098 -5.635 144 2HD PRO 20 2HD PRO 20 19.542 8.226 -6.935 145 H THR 21 H THR 21 16.577 9.939 -3.449 146 HA THR 21 HA THR 21 17.851 11.456 -1.333 147 HB THR 21 HB THR 21 15.480 12.394 -1.116 148 HG1 THR 21 HG1 THR 21 14.119 11.876 -2.853 149 1HG2 THR 21 1HG2 THR 21 17.196 13.548 -2.408 150 2HG2 THR 21 2HG2 THR 21 16.901 12.502 -3.811 151 H GLY 22 H GLY 22 15.420 8.814 -1.512 152 1HA GLY 22 1HA GLY 22 16.203 7.452 0.682 153 2HA GLY 22 2HA GLY 22 15.105 8.657 1.389 154 HA PRO 23 HA PRO 23 12.681 5.010 -0.451 155 1HB PRO 23 1HB PRO 23 12.307 3.377 1.691 156 2HB PRO 23 2HB PRO 23 13.861 3.424 0.825 157 1HG PRO 23 1HG PRO 23 13.133 4.974 3.330 158 2HG PRO 23 2HG PRO 23 14.532 3.878 3.096 159 1HD PRO 23 1HD PRO 23 14.754 6.566 2.737 160 2HD PRO 23 2HD PRO 23 15.605 5.416 1.661 161 H TYR 24 H TYR 24 10.512 4.089 0.498 162 HA TYR 24 HA TYR 24 9.182 5.608 2.550 163 1HB TYR 24 1HB TYR 24 7.280 6.371 1.174 164 2HB TYR 24 2HB TYR 24 8.791 7.161 0.762 165 HD1 TYR 24 HD1 TYR 24 6.582 4.297 -0.346 166 HD2 TYR 24 HD2 TYR 24 9.348 7.408 -1.493 167 HE1 TYR 24 HE1 TYR 24 6.162 3.798 -2.715 168 HE2 TYR 24 HE2 TYR 24 8.765 7.032 -3.865 169 HH TYR 24 HH TYR 24 7.659 5.698 -5.372 170 H LEU 25 H LEU 25 6.854 4.805 2.769 171 HA LEU 25 HA LEU 25 6.322 2.150 1.676 172 1HB LEU 25 1HB LEU 25 7.783 1.923 3.779 173 2HB LEU 25 2HB LEU 25 6.381 2.438 4.704 174 HG LEU 25 HG LEU 25 6.540 0.010 2.855 175 1HD1 LEU 25 1HD1 LEU 25 7.933 -0.203 4.864 176 2HD1 LEU 25 2HD1 LEU 25 6.544 0.204 5.892 177 3HD1 LEU 25 3HD1 LEU 25 6.545 -1.298 4.939 178 1HD2 LEU 25 1HD2 LEU 25 4.349 0.848 4.782 179 2HD2 LEU 25 2HD2 LEU 25 4.204 0.775 3.003 180 3HD2 LEU 25 3HD2 LEU 25 4.427 -0.706 3.933 181 H MET 26 H MET 26 4.669 3.447 0.633 182 HA MET 26 HA MET 26 2.658 4.864 2.126 183 1HB MET 26 1HB MET 26 3.053 4.032 -0.726 184 2HB MET 26 2HB MET 26 1.385 4.219 -0.181 185 1HG MET 26 1HG MET 26 1.988 6.309 -1.051 186 2HG MET 26 2HG MET 26 1.902 6.479 0.691 187 1HE MET 26 1HE MET 26 4.369 5.819 -2.309 188 2HE MET 26 2HE MET 26 3.689 7.457 -2.378 189 3HE MET 26 3HE MET 26 5.427 7.237 -2.089 190 H VAL 27 H VAL 27 0.835 4.176 3.072 191 HA VAL 27 HA VAL 27 -0.038 1.331 2.785 192 HB VAL 27 HB VAL 27 0.275 2.935 5.356 193 1HG1 VAL 27 1HG1 VAL 27 -0.905 0.165 4.846 194 2HG1 VAL 27 2HG1 VAL 27 -0.419 0.765 6.443 195 3HG1 VAL 27 3HG1 VAL 27 -1.720 1.565 5.584 196 1HG2 VAL 27 1HG2 VAL 27 1.669 0.434 4.300 197 2HG2 VAL 27 2HG2 VAL 27 2.394 2.034 4.579 198 3HG2 VAL 27 3HG2 VAL 27 1.840 1.070 5.949 199 H ASN 28 H ASN 28 -1.544 2.063 1.272 200 HA ASN 28 HA ASN 28 -4.049 2.990 2.504 201 1HB ASN 28 1HB ASN 28 -2.835 4.304 0.041 202 2HB ASN 28 2HB ASN 28 -4.483 4.568 0.639 203 1HD2 ASN 28 1HD2 ASN 28 -3.509 6.554 3.481 204 2HD2 ASN 28 2HD2 ASN 28 -4.664 5.340 2.978 205 H VAL 29 H VAL 29 -5.801 2.848 0.637 206 HA VAL 29 HA VAL 29 -5.260 0.590 -1.197 207 HB VAL 29 HB VAL 29 -7.501 -0.374 -0.551 208 1HG1 VAL 29 1HG1 VAL 29 -5.317 -1.355 0.169 209 2HG1 VAL 29 2HG1 VAL 29 -5.463 -0.446 1.679 210 3HG1 VAL 29 3HG1 VAL 29 -6.659 -1.686 1.279 211 1HG2 VAL 29 1HG2 VAL 29 -7.209 1.385 1.923 212 2HG2 VAL 29 2HG2 VAL 29 -8.481 1.502 0.680 213 3HG2 VAL 29 3HG2 VAL 29 -8.369 0.070 1.715 214 H THR 30 H THR 30 -6.430 0.591 -3.069 215 HA THR 30 HA THR 30 -7.535 3.144 -3.904 216 HB THR 30 HB THR 30 -7.400 0.480 -5.379 217 HG1 THR 30 HG1 THR 30 -5.534 1.403 -6.264 218 1HG2 THR 30 1HG2 THR 30 -7.548 1.903 -7.393 219 2HG2 THR 30 2HG2 THR 30 -8.995 2.107 -6.391 220 H GLY 31 H GLY 31 -9.418 3.580 -2.835 221 1HA GLY 31 1HA GLY 31 -11.392 1.530 -2.215 222 2HA GLY 31 2HA GLY 31 -11.391 3.241 -1.784 223 H VAL 32 H VAL 32 -12.059 0.973 -4.473 224 HA VAL 32 HA VAL 32 -13.525 2.967 -6.025 225 HB VAL 32 HB VAL 32 -14.057 1.195 -7.523 226 1HG1 VAL 32 1HG1 VAL 32 -11.790 2.203 -7.642 227 2HG1 VAL 32 2HG1 VAL 32 -11.161 0.888 -6.625 228 3HG1 VAL 32 3HG1 VAL 32 -11.820 0.530 -8.227 229 1HG2 VAL 32 1HG2 VAL 32 -14.538 -0.648 -5.969 230 2HG2 VAL 32 2HG2 VAL 32 -13.361 -1.134 -7.192 231 3HG2 VAL 32 3HG2 VAL 32 -12.814 -0.758 -5.547 232 H ASP 33 H ASP 33 -15.849 2.537 -6.643 233 HA ASP 33 HA ASP 33 -17.414 2.179 -4.182 234 1HB ASP 33 1HB ASP 33 -17.883 4.109 -5.635 235 2HB ASP 33 2HB ASP 33 -18.233 3.023 -6.982 236 H SER 34 H SER 34 -17.766 1.058 -7.547 237 HA SER 34 HA SER 34 -18.251 -1.727 -6.827 238 1HB SER 34 1HB SER 34 -20.499 0.055 -7.897 239 2HB SER 34 2HB SER 34 -20.522 -1.719 -7.903 240 HG SER 34 HG SER 34 -20.346 -0.044 -5.627 241 H LYS 35 H LYS 35 -18.845 0.781 -9.335 242 HA LYS 35 HA LYS 35 -17.808 -1.016 -11.454 243 1HB LYS 35 1HB LYS 35 -19.290 1.630 -11.562 244 2HB LYS 35 2HB LYS 35 -18.889 0.647 -12.972 245 1HG LYS 35 1HG LYS 35 -20.617 -0.542 -10.766 246 2HG LYS 35 2HG LYS 35 -21.281 0.629 -11.889 247 1HD LYS 35 1HD LYS 35 -21.781 -1.573 -12.676 248 2HD LYS 35 2HD LYS 35 -20.727 -0.735 -13.817 249 1HE LYS 35 1HE LYS 35 -20.154 -3.121 -13.544 250 2HE LYS 35 2HE LYS 35 -18.810 -2.075 -13.098 251 1HZ LYS 35 1HZ LYS 35 -20.699 -3.362 -11.244 252 2HZ LYS 35 2HZ LYS 35 -19.150 -3.846 -11.531 253 3HZ LYS 35 3HZ LYS 35 -19.439 -2.399 -10.797 254 H GLY 36 H GLY 36 -15.832 -0.159 -9.726 255 1HA GLY 36 1HA GLY 36 -13.725 0.664 -9.791 256 2HA GLY 36 2HA GLY 36 -13.936 0.883 -11.529 257 H ASN 37 H ASN 37 -15.993 2.561 -9.145 258 HA ASN 37 HA ASN 37 -15.014 5.169 -10.179 259 1HB ASN 37 1HB ASN 37 -17.457 4.451 -8.530 260 2HB ASN 37 2HB ASN 37 -17.069 6.044 -9.189 261 1HD2 ASN 37 1HD2 ASN 37 -19.516 4.130 -11.403 262 2HD2 ASN 37 2HD2 ASN 37 -19.464 4.436 -9.680 263 H GLU 38 H GLU 38 -13.153 5.602 -9.078 264 HA GLU 38 HA GLU 38 -12.543 4.898 -6.444 265 1HB GLU 38 1HB GLU 38 -10.918 5.467 -8.188 266 2HB GLU 38 2HB GLU 38 -11.414 7.168 -8.113 267 1HG GLU 38 1HG GLU 38 -10.718 7.257 -5.731 268 2HG GLU 38 2HG GLU 38 -10.274 5.542 -5.797 269 H LEU 39 H LEU 39 -13.480 5.553 -4.595 270 HA LEU 39 HA LEU 39 -14.744 8.167 -4.237 271 1HB LEU 39 1HB LEU 39 -13.969 6.001 -2.223 272 2HB LEU 39 2HB LEU 39 -14.759 7.534 -1.859 273 HG LEU 39 HG LEU 39 -16.586 6.771 -3.580 274 1HD1 LEU 39 1HD1 LEU 39 -15.366 4.101 -2.722 275 2HD1 LEU 39 2HD1 LEU 39 -16.950 4.315 -3.485 276 3HD1 LEU 39 3HD1 LEU 39 -15.479 4.713 -4.386 277 1HD2 LEU 39 1HD2 LEU 39 -16.295 5.533 -0.809 278 2HD2 LEU 39 2HD2 LEU 39 -16.987 7.129 -1.187 279 3HD2 LEU 39 3HD2 LEU 39 -17.808 5.660 -1.730 280 H LEU 40 H LEU 40 -11.690 6.522 -3.316 281 HA LEU 40 HA LEU 40 -10.460 9.136 -2.657 282 1HB LEU 40 1HB LEU 40 -9.606 8.240 -0.565 283 2HB LEU 40 2HB LEU 40 -11.365 8.199 -0.614 284 HG LEU 40 HG LEU 40 -10.767 5.664 -1.575 285 1HD1 LEU 40 1HD1 LEU 40 -8.321 5.965 -1.112 286 2HD1 LEU 40 2HD1 LEU 40 -8.706 6.307 0.583 287 3HD1 LEU 40 3HD1 LEU 40 -9.056 4.709 -0.106 288 1HD2 LEU 40 1HD2 LEU 40 -12.424 6.256 0.161 289 2HD2 LEU 40 2HD2 LEU 40 -11.435 4.860 0.616 290 3HD2 LEU 40 3HD2 LEU 40 -11.097 6.449 1.332 291 H SER 41 H SER 41 -8.387 9.395 -3.116 292 HA SER 41 HA SER 41 -7.040 7.426 -4.777 293 1HB SER 41 1HB SER 41 -6.985 9.776 -5.380 294 2HB SER 41 2HB SER 41 -6.272 10.196 -3.812 295 HG SER 41 HG SER 41 -5.116 8.533 -5.801 296 HA PRO 42 HA PRO 42 -4.994 5.798 -1.169 297 1HB PRO 42 1HB PRO 42 -3.437 3.872 -2.262 298 2HB PRO 42 2HB PRO 42 -5.197 3.885 -2.511 299 1HG PRO 42 1HG PRO 42 -3.131 5.070 -4.388 300 2HG PRO 42 2HG PRO 42 -4.360 3.834 -4.778 301 1HD PRO 42 1HD PRO 42 -4.836 6.467 -5.209 302 2HD PRO 42 2HD PRO 42 -6.119 5.384 -4.589 303 H HIS 43 H HIS 43 -3.979 8.231 -1.223 304 HA HIS 43 HA HIS 43 -1.046 7.939 -0.919 305 1HB HIS 43 1HB HIS 43 -2.362 9.974 -2.769 306 2HB HIS 43 2HB HIS 43 -0.649 9.928 -2.335 307 HD1 HIS 43 HD1 HIS 43 -3.070 8.483 -4.795 308 HD2 HIS 43 HD2 HIS 43 0.729 7.613 -3.205 309 HE1 HIS 43 HE1 HIS 43 -2.000 6.756 -6.345 310 H TYR 44 H TYR 44 -2.252 8.033 1.286 311 HA TYR 44 HA TYR 44 -2.298 10.878 2.183 312 1HB TYR 44 1HB TYR 44 -4.577 10.271 2.129 313 2HB TYR 44 2HB TYR 44 -4.247 8.662 2.766 314 HD1 TYR 44 HD1 TYR 44 -3.235 12.112 3.984 315 HD2 TYR 44 HD2 TYR 44 -5.322 8.438 4.820 316 HE1 TYR 44 HE1 TYR 44 -3.267 12.677 6.387 317 HE2 TYR 44 HE2 TYR 44 -5.412 9.033 7.213 318 HH TYR 44 HH TYR 44 -4.747 10.521 8.844 319 H VAL 45 H VAL 45 -1.999 7.456 3.347 320 HA VAL 45 HA VAL 45 -0.214 8.446 5.525 321 HB VAL 45 HB VAL 45 -1.601 5.771 5.174 322 1HG1 VAL 45 1HG1 VAL 45 0.097 6.879 7.453 323 2HG1 VAL 45 2HG1 VAL 45 -0.881 5.401 7.541 324 3HG1 VAL 45 3HG1 VAL 45 0.482 5.477 6.428 325 1HG2 VAL 45 1HG2 VAL 45 -2.210 8.218 6.875 326 2HG2 VAL 45 2HG2 VAL 45 -3.259 7.372 5.707 327 3HG2 VAL 45 3HG2 VAL 45 -2.849 6.608 7.246 328 H GLU 46 H GLU 46 1.866 7.856 5.659 329 HA GLU 46 HA GLU 46 2.782 5.464 4.361 330 1HB GLU 46 1HB GLU 46 4.501 6.313 2.992 331 2HB GLU 46 2HB GLU 46 3.104 7.322 2.634 332 1HG GLU 46 1HG GLU 46 4.819 8.856 2.763 333 2HG GLU 46 2HG GLU 46 4.075 9.001 4.357 334 H PHE 47 H PHE 47 5.135 5.041 4.993 335 HA PHE 47 HA PHE 47 5.893 6.313 7.549 336 1HB PHE 47 1HB PHE 47 5.729 3.302 7.123 337 2HB PHE 47 2HB PHE 47 6.286 4.115 8.581 338 HD1 PHE 47 HD1 PHE 47 4.605 5.601 9.868 339 HD2 PHE 47 HD2 PHE 47 3.415 2.812 6.805 340 HE1 PHE 47 HE1 PHE 47 2.270 5.669 10.708 341 HE2 PHE 47 HE2 PHE 47 1.085 2.868 7.666 342 HZ PHE 47 1HZ PHE 47 0.511 4.298 9.610 343 HA PRO 48 HA PRO 48 9.957 5.685 5.602 344 1HB PRO 48 1HB PRO 48 11.602 5.944 7.762 345 2HB PRO 48 2HB PRO 48 10.754 7.335 7.028 346 1HG PRO 48 1HG PRO 48 9.921 5.747 9.466 347 2HG PRO 48 2HG PRO 48 9.998 7.521 9.283 348 1HD PRO 48 1HD PRO 48 7.678 6.105 8.984 349 2HD PRO 48 2HD PRO 48 8.013 7.563 8.004 350 H ILE 49 H ILE 49 10.728 3.692 5.071 351 HA ILE 49 HA ILE 49 9.510 1.455 6.081 352 HB ILE 49 HB ILE 49 10.369 1.598 3.855 353 1HG1 ILE 49 1HG1 ILE 49 11.891 -0.719 5.085 354 2HG1 ILE 49 2HG1 ILE 49 10.104 -0.632 5.212 355 1HG2 ILE 49 1HG2 ILE 49 12.514 2.789 4.310 356 2HG2 ILE 49 2HG2 ILE 49 13.187 1.302 5.001 357 3HG2 ILE 49 3HG2 ILE 49 12.743 1.368 3.288 358 1HD1 ILE 49 1HD1 ILE 49 9.932 -0.497 2.768 359 2HD1 ILE 49 2HD1 ILE 49 11.703 -0.592 2.598 360 3HD1 ILE 49 3HD1 ILE 49 10.798 -1.965 3.267 361 H LYS 50 H LYS 50 9.920 -0.168 7.432 362 HA LYS 50 HA LYS 50 12.405 -0.315 9.034 363 1HB LYS 50 1HB LYS 50 10.947 -0.554 11.074 364 2HB LYS 50 2HB LYS 50 11.217 1.068 10.448 365 1HG LYS 50 1HG LYS 50 9.067 1.278 9.533 366 2HG LYS 50 2HG LYS 50 8.666 -0.428 9.703 367 1HD LYS 50 1HD LYS 50 9.350 1.154 12.187 368 2HD LYS 50 2HD LYS 50 7.791 1.416 11.399 369 1HE LYS 50 1HE LYS 50 7.563 -0.244 13.165 370 2HE LYS 50 2HE LYS 50 7.206 -0.948 11.582 371 1HZ LYS 50 1HZ LYS 50 9.735 -1.228 13.043 372 2HZ LYS 50 2HZ LYS 50 8.551 -2.370 12.936 373 3HZ LYS 50 3HZ LYS 50 9.378 -1.914 11.585 374 HA PRO 51 HA PRO 51 10.670 -4.207 7.347 375 1HB PRO 51 1HB PRO 51 12.956 -5.480 6.593 376 2HB PRO 51 2HB PRO 51 12.315 -4.072 5.698 377 1HG PRO 51 1HG PRO 51 14.458 -4.062 7.836 378 2HG PRO 51 2HG PRO 51 14.538 -3.328 6.205 379 1HD PRO 51 1HD PRO 51 13.860 -1.898 8.423 380 2HD PRO 51 2HD PRO 51 13.092 -1.562 6.846 381 H GLY 52 H GLY 52 10.993 -6.568 7.878 382 1HA GLY 52 1HA GLY 52 11.730 -8.258 9.391 383 2HA GLY 52 2HA GLY 52 12.020 -7.056 10.648 384 H THR 53 H THR 53 9.403 -5.646 9.963 385 HA THR 53 HA THR 53 7.706 -7.026 11.781 386 HB THR 53 1HB THR 53 7.701 -4.591 11.462 387 HG1 THR 53 HG1 THR 53 5.873 -5.692 12.274 388 1HG2 THR 53 1HG2 THR 53 7.939 -4.501 8.963 389 2HG2 THR 53 2HG2 THR 53 6.271 -5.100 8.813 390 H THR 54 H THR 54 5.722 -8.116 11.422 391 HA THR 54 HA THR 54 5.768 -9.874 9.146 392 HB THR 54 HB THR 54 3.626 -9.575 11.278 393 HG1 THR 54 HG1 THR 54 5.969 -11.169 11.203 394 1HG2 THR 54 1HG2 THR 54 3.008 -10.982 9.268 395 2HG2 THR 54 2HG2 THR 54 4.453 -11.968 9.565 396 H LEU 55 H LEU 55 4.837 -9.583 7.239 397 HA LEU 55 HA LEU 55 2.548 -7.703 6.901 398 1HB LEU 55 1HB LEU 55 4.835 -6.887 6.133 399 2HB LEU 55 2HB LEU 55 4.823 -8.155 4.920 400 HG LEU 55 HG LEU 55 4.192 -6.116 3.896 401 1HD1 LEU 55 1HD1 LEU 55 2.802 -8.047 3.176 402 2HD1 LEU 55 2HD1 LEU 55 1.533 -7.533 4.319 403 3HD1 LEU 55 3HD1 LEU 55 1.997 -6.485 2.974 404 1HD2 LEU 55 1HD2 LEU 55 3.611 -4.866 5.945 405 2HD2 LEU 55 2HD2 LEU 55 2.442 -4.624 4.638 406 3HD2 LEU 55 3HD2 LEU 55 2.038 -5.691 5.999 407 H THR 56 H THR 56 0.930 -9.179 6.767 408 HA THR 56 HA THR 56 0.943 -11.008 4.456 409 HB THR 56 1HB THR 56 1.637 -12.315 6.469 410 HG1 THR 56 HG1 THR 56 0.555 -13.247 4.710 411 1HG2 THR 56 1HG2 THR 56 -1.208 -11.796 7.442 412 2HG2 THR 56 2HG2 THR 56 -0.029 -12.913 8.154 413 H LYS 57 H LYS 57 -1.530 -11.994 4.535 414 HA LYS 57 HA LYS 57 -3.146 -9.862 3.727 415 1HB LYS 57 1HB LYS 57 -3.399 -12.162 3.019 416 2HB LYS 57 2HB LYS 57 -3.965 -12.663 4.617 417 1HG LYS 57 1HG LYS 57 -5.400 -10.503 3.009 418 2HG LYS 57 2HG LYS 57 -5.638 -12.226 2.676 419 1HD LYS 57 1HD LYS 57 -6.351 -12.585 5.038 420 2HD LYS 57 2HD LYS 57 -6.296 -10.827 5.295 421 1HE LYS 57 1HE LYS 57 -7.928 -10.485 3.488 422 2HE LYS 57 2HE LYS 57 -7.982 -12.234 3.187 423 1HZ LYS 57 1HZ LYS 57 -8.752 -10.917 5.688 424 2HZ LYS 57 2HZ LYS 57 -9.785 -11.514 4.550 425 3HZ LYS 57 3HZ LYS 57 -8.806 -12.539 5.392 426 H GLU 58 H GLU 58 -3.526 -11.819 6.759 427 HA GLU 58 HA GLU 58 -5.585 -10.126 7.708 428 1HB GLU 58 1HB GLU 58 -5.547 -11.427 9.746 429 2HB GLU 58 2HB GLU 58 -5.559 -12.392 8.279 430 1HG GLU 58 1HG GLU 58 -4.139 -13.517 9.764 431 2HG GLU 58 2HG GLU 58 -3.094 -12.810 8.539 432 H LYS 59 H LYS 59 -2.061 -9.924 8.285 433 HA LYS 59 HA LYS 59 -2.227 -8.044 10.438 434 1HB LYS 59 1HB LYS 59 -0.138 -8.552 8.296 435 2HB LYS 59 2HB LYS 59 0.094 -7.327 9.536 436 1HG LYS 59 1HG LYS 59 -0.503 -10.156 10.398 437 2HG LYS 59 2HG LYS 59 1.086 -9.746 9.755 438 1HD LYS 59 1HD LYS 59 1.209 -9.625 12.121 439 2HD LYS 59 2HD LYS 59 1.439 -8.020 11.420 440 1HE LYS 59 1HE LYS 59 0.078 -7.945 13.450 441 2HE LYS 59 2HE LYS 59 -0.855 -7.395 12.057 442 1HZ LYS 59 1HZ LYS 59 -0.957 -10.082 13.264 443 2HZ LYS 59 2HZ LYS 59 -2.088 -8.898 13.460 444 3HZ LYS 59 3HZ LYS 59 -1.859 -9.581 11.978 445 H ILE 60 H ILE 60 -1.584 -7.532 6.949 446 HA ILE 60 HA ILE 60 -1.576 -4.739 7.160 447 HB ILE 60 HB ILE 60 -0.590 -6.448 5.422 448 1HG1 ILE 60 1HG1 ILE 60 0.171 -4.223 5.573 449 2HG1 ILE 60 2HG1 ILE 60 -0.091 -4.695 3.863 450 1HG2 ILE 60 1HG2 ILE 60 -2.729 -7.165 4.446 451 2HG2 ILE 60 2HG2 ILE 60 -3.025 -5.522 3.851 452 3HG2 ILE 60 3HG2 ILE 60 -1.638 -6.448 3.254 453 1HD1 ILE 60 1HD1 ILE 60 -2.259 -3.373 3.951 454 2HD1 ILE 60 2HD1 ILE 60 -1.741 -2.799 5.563 455 3HD1 ILE 60 3HD1 ILE 60 -0.776 -2.422 4.137 456 H GLU 61 H GLU 61 -4.225 -6.992 6.496 457 HA GLU 61 HA GLU 61 -6.083 -5.357 5.255 458 1HB GLU 61 1HB GLU 61 -6.412 -7.715 5.454 459 2HB GLU 61 2HB GLU 61 -6.455 -7.640 7.228 460 1HG GLU 61 1HG GLU 61 -8.577 -6.421 7.148 461 2HG GLU 61 2HG GLU 61 -8.472 -6.292 5.381 462 H TYR 62 H TYR 62 -6.004 -5.976 8.852 463 HA TYR 62 HA TYR 62 -7.895 -3.882 9.332 464 1HB TYR 62 1HB TYR 62 -7.507 -4.219 11.647 465 2HB TYR 62 2HB TYR 62 -7.676 -5.755 10.820 466 HD1 TYR 62 HD1 TYR 62 -5.116 -3.384 12.240 467 HD2 TYR 62 HD2 TYR 62 -6.114 -7.464 11.276 468 HE1 TYR 62 HE1 TYR 62 -3.193 -4.163 13.569 469 HE2 TYR 62 HE2 TYR 62 -4.185 -8.246 12.612 470 HH TYR 62 HH TYR 62 -2.100 -5.974 14.453 471 H TYR 63 H TYR 63 -4.343 -3.951 9.227 472 HA TYR 63 HA TYR 63 -3.870 -1.558 10.618 473 1HB TYR 63 1HB TYR 63 -2.197 -3.300 10.166 474 2HB TYR 63 2HB TYR 63 -2.240 -2.913 8.447 475 HD1 TYR 63 HD1 TYR 63 -1.788 -1.098 11.735 476 HD2 TYR 63 HD2 TYR 63 -0.413 -1.643 7.681 477 HE1 TYR 63 HE1 TYR 63 0.047 0.513 12.138 478 HE2 TYR 63 HE2 TYR 63 1.449 -0.068 8.107 479 HH TYR 63 HH TYR 63 2.479 1.315 9.631 480 H VAL 64 H VAL 64 -4.251 -2.118 7.066 481 HA VAL 64 HA VAL 64 -3.866 0.661 6.465 482 HB VAL 64 HB VAL 64 -3.317 -1.223 4.941 483 1HG1 VAL 64 1HG1 VAL 64 -5.507 -2.487 5.144 484 2HG1 VAL 64 2HG1 VAL 64 -6.282 -1.202 4.209 485 3HG1 VAL 64 3HG1 VAL 64 -4.992 -2.177 3.483 486 1HG2 VAL 64 1HG2 VAL 64 -3.504 1.205 4.278 487 2HG2 VAL 64 2HG2 VAL 64 -3.703 0.038 2.973 488 3HG2 VAL 64 3HG2 VAL 64 -5.126 0.856 3.669 489 H GLU 65 H GLU 65 -6.705 -1.359 7.152 490 HA GLU 65 HA GLU 65 -8.728 0.462 6.332 491 1HB GLU 65 1HB GLU 65 -8.595 -1.767 8.368 492 2HB GLU 65 2HB GLU 65 -10.031 -0.753 8.230 493 1HG GLU 65 1HG GLU 65 -10.248 -1.284 5.844 494 2HG GLU 65 2HG GLU 65 -8.801 -2.290 5.903 495 H TRP 66 H TRP 66 -6.634 0.407 9.215 496 HA TRP 66 HA TRP 66 -8.066 2.587 10.544 497 1HB TRP 66 1HB TRP 66 -5.251 1.613 11.018 498 2HB TRP 66 2HB TRP 66 -6.264 2.555 12.103 499 HD1 TRP 66 HD1 TRP 66 -4.823 -0.074 12.947 500 HE1 TRP 66 HE1 TRP 66 -6.105 -2.071 13.845 501 HE3 TRP 66 HE3 TRP 66 -9.482 0.957 10.976 502 HZ2 TRP 66 HZ2 TRP 66 -8.781 -3.138 13.707 503 HZ3 TRP 66 HZ3 TRP 66 -11.329 -0.610 11.337 504 HH2 TRP 66 HH2 TRP 66 -11.008 -2.660 12.699 505 H ALA 67 H ALA 67 -5.256 2.217 8.374 506 HA ALA 67 HA ALA 67 -4.101 4.719 8.718 507 1HB ALA 67 1HB ALA 67 -3.032 2.806 7.591 508 2HB ALA 67 2HB ALA 67 -4.097 3.029 6.185 509 3HB ALA 67 3HB ALA 67 -2.938 4.286 6.624 510 H LEU 68 H LEU 68 -6.241 3.799 5.914 511 HA LEU 68 HA LEU 68 -6.406 6.469 5.010 512 1HB LEU 68 1HB LEU 68 -7.793 5.805 3.356 513 2HB LEU 68 2HB LEU 68 -6.805 4.375 3.642 514 HG LEU 68 HG LEU 68 -9.650 4.783 4.709 515 1HD1 LEU 68 1HD1 LEU 68 -8.687 3.317 2.242 516 2HD1 LEU 68 2HD1 LEU 68 -10.337 3.245 2.905 517 3HD1 LEU 68 3HD1 LEU 68 -9.687 4.780 2.308 518 1HD2 LEU 68 1HD2 LEU 68 -8.323 3.116 5.986 519 2HD2 LEU 68 2HD2 LEU 68 -9.638 2.368 5.071 520 3HD2 LEU 68 3HD2 LEU 68 -7.977 2.257 4.459 521 H ASP 69 H ASP 69 -8.187 4.858 7.533 522 HA ASP 69 HA ASP 69 -10.485 6.633 7.501 523 1HB ASP 69 1HB ASP 69 -10.571 4.244 8.123 524 2HB ASP 69 2HB ASP 69 -9.576 4.574 9.546 525 H ALA 70 H ALA 70 -8.895 8.496 7.471 526 HA ALA 70 HA ALA 70 -9.294 9.936 9.874 527 1HB ALA 70 1HB ALA 70 -6.393 9.192 9.278 528 2HB ALA 70 2HB ALA 70 -6.904 10.466 10.407 529 3HB ALA 70 3HB ALA 70 -7.305 8.780 10.737 530 H THR 71 H THR 71 -10.231 10.291 7.395 531 HA THR 71 HA THR 71 -8.982 12.831 6.527 532 HB THR 71 HB THR 71 -9.340 12.212 4.150 533 HG1 THR 71 HG1 THR 71 -9.594 9.576 5.183 534 1HG2 THR 71 1HG2 THR 71 -7.077 12.022 5.233 535 2HG2 THR 71 2HG2 THR 71 -7.429 10.303 5.534 536 H ALA 72 H ALA 72 -11.674 10.611 5.689 537 HA ALA 72 HA ALA 72 -13.648 12.825 6.019 538 1HB ALA 72 1HB ALA 72 -13.827 10.125 4.626 539 2HB ALA 72 2HB ALA 72 -15.163 11.281 4.803 540 3HB ALA 72 3HB ALA 72 -13.728 11.716 3.861 541 H TYR 73 H TYR 73 -13.471 9.285 6.540 542 HA TYR 73 HA TYR 73 -14.148 7.914 8.135 543 1HB TYR 73 1HB TYR 73 -12.266 8.928 9.279 544 2HB TYR 73 2HB TYR 73 -13.292 10.202 9.931 545 HD1 TYR 73 HD1 TYR 73 -14.824 6.841 10.011 546 HD2 TYR 73 HD2 TYR 73 -12.198 9.575 12.088 547 HE1 TYR 73 HE1 TYR 73 -15.143 5.573 12.085 548 HE2 TYR 73 HE2 TYR 73 -12.533 8.287 14.176 549 HH TYR 73 HH TYR 73 -14.645 5.395 14.324 550 H LYS 74 H LYS 74 -16.260 8.300 7.091 551 HA LYS 74 HA LYS 74 -18.304 8.874 9.177 552 1HB LYS 74 1HB LYS 74 -18.342 9.796 6.275 553 2HB LYS 74 2HB LYS 74 -19.766 9.780 7.335 554 1HG LYS 74 1HG LYS 74 -18.701 11.290 8.913 555 2HG LYS 74 2HG LYS 74 -17.227 11.360 7.945 556 1HD LYS 74 1HD LYS 74 -19.959 12.179 6.881 557 2HD LYS 74 2HD LYS 74 -18.877 13.304 7.709 558 1HE LYS 74 1HE LYS 74 -18.122 11.789 5.171 559 2HE LYS 74 2HE LYS 74 -18.725 13.450 5.236 560 1HZ LYS 74 1HZ LYS 74 -16.853 14.031 6.587 561 2HZ LYS 74 2HZ LYS 74 -16.264 12.493 6.505 562 3HZ LYS 74 3HZ LYS 74 -16.369 13.407 5.140 563 H GLU 75 H GLU 75 -17.152 6.488 8.844 564 HA GLU 75 HA GLU 75 -17.476 4.348 8.594 565 1HB GLU 75 1HB GLU 75 -19.699 4.842 9.548 566 2HB GLU 75 2HB GLU 75 -20.387 4.895 7.911 567 1HG GLU 75 1HG GLU 75 -19.596 2.562 7.514 568 2HG GLU 75 2HG GLU 75 -18.910 2.521 9.145 569 H PHE 76 H PHE 76 -16.415 3.382 7.057 570 HA PHE 76 HA PHE 76 -17.294 3.556 4.210 571 1HB PHE 76 1HB PHE 76 -15.085 3.297 3.530 572 2HB PHE 76 2HB PHE 76 -15.105 4.590 4.709 573 HD1 PHE 76 HD1 PHE 76 -14.467 3.819 7.241 574 HD2 PHE 76 HD2 PHE 76 -13.421 1.670 3.644 575 HE1 PHE 76 HE1 PHE 76 -12.717 2.591 8.475 576 HE2 PHE 76 HE2 PHE 76 -11.634 0.492 4.877 577 HZ PHE 76 1HZ PHE 76 -11.313 0.912 7.305 578 H ARG 77 H ARG 77 -18.676 1.844 4.067 579 HA ARG 77 HA ARG 77 -18.204 -0.598 5.555 580 1HB ARG 77 1HB ARG 77 -20.447 0.571 5.034 581 2HB ARG 77 2HB ARG 77 -20.331 -0.151 3.433 582 1HG ARG 77 1HG ARG 77 -21.606 -1.698 4.616 583 2HG ARG 77 2HG ARG 77 -19.986 -2.412 4.728 584 1HD ARG 77 1HD ARG 77 -19.742 -1.342 7.002 585 2HD ARG 77 2HD ARG 77 -21.371 -0.661 6.817 586 HE ARG 77 HE ARG 77 -21.490 -3.477 6.456 587 1HH1 ARG 77 1HH1 ARG 77 -20.958 -1.067 9.021 588 2HH1 ARG 77 2HH1 ARG 77 -21.567 -2.110 10.284 589 1HH2 ARG 77 1HH2 ARG 77 -22.316 -4.234 9.784 590 2HH2 ARG 77 2HH2 ARG 77 -22.280 -4.816 8.136 591 H VAL 78 H VAL 78 -16.417 -1.707 4.818 592 HA VAL 78 HA VAL 78 -15.736 -1.919 2.026 593 HB VAL 78 HB VAL 78 -14.667 -3.461 4.423 594 1HG1 VAL 78 1HG1 VAL 78 -13.524 -3.021 1.623 595 2HG1 VAL 78 2HG1 VAL 78 -12.696 -3.832 2.966 596 3HG1 VAL 78 3HG1 VAL 78 -14.138 -4.564 2.255 597 1HG2 VAL 78 1HG2 VAL 78 -13.691 -0.906 3.074 598 2HG2 VAL 78 2HG2 VAL 78 -14.318 -1.053 4.731 599 3HG2 VAL 78 3HG2 VAL 78 -12.792 -1.828 4.295 600 H VAL 79 H VAL 79 -17.354 -2.882 0.844 601 HA VAL 79 HA VAL 79 -18.819 -5.164 1.761 602 HB VAL 79 HB VAL 79 -19.800 -3.496 0.331 603 1HG1 VAL 79 1HG1 VAL 79 -17.867 -2.937 -1.131 604 2HG1 VAL 79 2HG1 VAL 79 -18.057 -4.503 -1.955 605 3HG1 VAL 79 3HG1 VAL 79 -19.343 -3.290 -2.037 606 1HG2 VAL 79 1HG2 VAL 79 -20.707 -5.801 0.354 607 2HG2 VAL 79 2HG2 VAL 79 -20.984 -4.982 -1.193 608 3HG2 VAL 79 3HG2 VAL 79 -19.707 -6.205 -1.059 609 H GLU 80 H GLU 80 -16.153 -4.769 -0.611 610 HA GLU 80 HA GLU 80 -15.374 -7.591 -0.161 611 1HB GLU 80 1HB GLU 80 -15.916 -6.282 -2.861 612 2HB GLU 80 2HB GLU 80 -14.821 -7.651 -2.699 613 1HG GLU 80 1HG GLU 80 -17.756 -7.676 -1.889 614 2HG GLU 80 2HG GLU 80 -17.089 -8.324 -3.387 615 H LEU 81 H LEU 81 -13.201 -8.027 -0.944 616 HA LEU 81 HA LEU 81 -11.351 -5.823 -1.288 617 1HB LEU 81 1HB LEU 81 -10.069 -6.221 0.773 618 2HB LEU 81 2HB LEU 81 -11.701 -5.658 1.089 619 HG LEU 81 HG LEU 81 -12.205 -8.300 1.318 620 1HD1 LEU 81 1HD1 LEU 81 -9.268 -8.051 2.131 621 2HD1 LEU 81 2HD1 LEU 81 -10.333 -9.433 2.461 622 3HD1 LEU 81 3HD1 LEU 81 -9.880 -9.050 0.800 623 1HD2 LEU 81 1HD2 LEU 81 -10.894 -6.579 3.457 624 2HD2 LEU 81 2HD2 LEU 81 -12.620 -6.599 3.030 625 3HD2 LEU 81 3HD2 LEU 81 -11.873 -8.037 3.740 626 H ASP 82 H ASP 82 -9.150 -6.559 -1.652 627 HA ASP 82 HA ASP 82 -9.090 -9.186 -2.977 628 1HB ASP 82 1HB ASP 82 -7.149 -6.861 -2.897 629 2HB ASP 82 2HB ASP 82 -6.830 -8.397 -3.714 630 HA PRO 83 HA PRO 83 -7.139 -10.660 0.859 631 1HB PRO 83 1HB PRO 83 -6.794 -13.290 0.230 632 2HB PRO 83 2HB PRO 83 -8.397 -12.576 0.574 633 1HG PRO 83 1HG PRO 83 -7.156 -13.086 -2.139 634 2HG PRO 83 2HG PRO 83 -8.800 -13.508 -1.584 635 1HD PRO 83 1HD PRO 83 -8.265 -11.252 -3.025 636 2HD PRO 83 2HD PRO 83 -9.531 -11.271 -1.757 637 H SER 84 H SER 84 -5.817 -11.409 -2.396 638 HA SER 84 HA SER 84 -3.068 -11.707 -1.450 639 1HB SER 84 1HB SER 84 -4.298 -11.540 -4.233 640 2HB SER 84 2HB SER 84 -2.591 -11.882 -3.876 641 HG SER 84 HG SER 84 -3.303 -13.697 -2.677 642 H ALA 85 H ALA 85 -2.864 -9.668 -0.320 643 HA ALA 85 HA ALA 85 -3.177 -7.134 -1.552 644 1HB ALA 85 1HB ALA 85 -3.071 -7.450 0.886 645 2HB ALA 85 2HB ALA 85 -1.378 -7.974 0.760 646 3HB ALA 85 3HB ALA 85 -1.822 -6.310 0.345 647 H LYS 86 H LYS 86 -1.892 -6.009 -2.897 648 HA LYS 86 HA LYS 86 0.489 -7.379 -3.988 649 1HB LYS 86 1HB LYS 86 0.101 -6.084 -5.981 650 2HB LYS 86 2HB LYS 86 -1.317 -7.014 -5.503 651 1HG LYS 86 1HG LYS 86 -2.311 -4.957 -4.489 652 2HG LYS 86 2HG LYS 86 -0.944 -4.014 -5.091 653 1HD LYS 86 1HD LYS 86 -2.786 -5.692 -6.852 654 2HD LYS 86 2HD LYS 86 -3.109 -4.000 -6.464 655 1HE LYS 86 1HE LYS 86 -0.568 -4.939 -7.866 656 2HE LYS 86 2HE LYS 86 -2.019 -4.346 -8.683 657 1HZ LYS 86 1HZ LYS 86 -1.789 -2.285 -7.540 658 2HZ LYS 86 2HZ LYS 86 -0.436 -2.809 -6.760 659 3HZ LYS 86 3HZ LYS 86 -0.423 -2.624 -8.397 660 H ILE 87 H ILE 87 2.466 -6.518 -4.067 661 HA ILE 87 HA ILE 87 2.984 -3.920 -2.685 662 HB ILE 87 HB ILE 87 4.594 -6.500 -2.544 663 1HG1 ILE 87 1HG1 ILE 87 3.856 -5.994 0.027 664 2HG1 ILE 87 2HG1 ILE 87 2.396 -5.390 -0.844 665 1HG2 ILE 87 1HG2 ILE 87 4.920 -3.811 -1.150 666 2HG2 ILE 87 2HG2 ILE 87 5.872 -5.271 -0.805 667 3HG2 ILE 87 3HG2 ILE 87 5.994 -4.492 -2.383 668 1HD1 ILE 87 1HD1 ILE 87 2.238 -7.637 -1.951 669 2HD1 ILE 87 2HD1 ILE 87 3.668 -8.169 -1.050 670 3HD1 ILE 87 3HD1 ILE 87 2.179 -7.732 -0.181 671 H GLU 88 H GLU 88 3.952 -2.518 -3.975 672 HA GLU 88 HA GLU 88 5.376 -3.432 -6.450 673 1HB GLU 88 1HB GLU 88 3.512 -1.114 -5.860 674 2HB GLU 88 2HB GLU 88 4.601 -1.140 -7.247 675 1HG GLU 88 1HG GLU 88 2.406 -1.865 -7.930 676 2HG GLU 88 2HG GLU 88 3.557 -3.196 -8.074 677 H VAL 89 H VAL 89 7.413 -3.507 -5.493 678 HA VAL 89 HA VAL 89 8.498 -1.255 -4.014 679 HB VAL 89 HB VAL 89 10.629 -2.555 -4.137 680 1HG1 VAL 89 1HG1 VAL 89 9.096 -2.615 -2.246 681 2HG1 VAL 89 2HG1 VAL 89 8.180 -3.938 -2.987 682 3HG1 VAL 89 3HG1 VAL 89 9.864 -4.194 -2.481 683 1HG2 VAL 89 1HG2 VAL 89 10.195 -3.967 -6.149 684 2HG2 VAL 89 2HG2 VAL 89 10.544 -4.932 -4.714 685 3HG2 VAL 89 3HG2 VAL 89 8.882 -4.787 -5.289 686 H THR 90 H THR 90 8.444 0.538 -5.199 687 HA THR 90 HA THR 90 9.532 0.669 -7.929 688 HB THR 90 1HB THR 90 8.153 2.722 -6.144 689 HG1 THR 90 HG1 THR 90 6.845 0.960 -6.708 690 1HG2 THR 90 1HG2 THR 90 8.759 2.728 -9.130 691 2HG2 THR 90 2HG2 THR 90 7.738 3.910 -8.286 692 H TYR 91 H TYR 91 11.767 0.365 -7.589 693 HA TYR 91 HA TYR 91 13.178 2.161 -5.709 694 1HB TYR 91 1HB TYR 91 15.099 0.519 -6.876 695 2HB TYR 91 2HB TYR 91 14.393 0.431 -5.291 696 HD1 TYR 91 HD1 TYR 91 13.777 -0.755 -8.809 697 HD2 TYR 91 HD2 TYR 91 13.348 -1.546 -4.596 698 HE1 TYR 91 HE1 TYR 91 13.046 -3.083 -9.306 699 HE2 TYR 91 HE2 TYR 91 12.769 -3.894 -5.091 700 HH TYR 91 HH TYR 91 12.489 -5.130 -8.447 701 H TYR 92 H TYR 92 13.147 4.106 -6.639 702 HA TYR 92 HA TYR 92 14.188 4.579 -9.363 703 1HB TYR 92 1HB TYR 92 13.651 6.948 -8.871 704 2HB TYR 92 2HB TYR 92 12.285 5.849 -8.844 705 HD1 TYR 92 HD1 TYR 92 11.260 5.106 -6.702 706 HD2 TYR 92 HD2 TYR 92 14.037 8.385 -6.942 707 HE1 TYR 92 HE1 TYR 92 10.715 5.724 -4.375 708 HE2 TYR 92 HE2 TYR 92 13.327 9.140 -4.689 709 HH TYR 92 HH TYR 92 12.021 8.679 -2.833 710 H ASP 93 H ASP 93 16.126 3.370 -8.400 711 HA ASP 93 HA ASP 93 18.080 5.234 -7.162 712 1HB ASP 93 1HB ASP 93 17.678 2.941 -6.188 713 2HB ASP 93 2HB ASP 93 18.277 2.238 -7.683 714 H LYS 94 H LYS 94 18.045 6.529 -9.099 715 HA LYS 94 HA LYS 94 18.791 5.410 -11.650 716 1HB LYS 94 1HB LYS 94 17.250 7.262 -11.481 717 2HB LYS 94 2HB LYS 94 18.452 8.248 -10.655 718 1HG LYS 94 1HG LYS 94 18.144 8.907 -12.967 719 2HG LYS 94 2HG LYS 94 19.806 8.409 -12.707 720 1HD LYS 94 1HD LYS 94 17.798 6.402 -13.782 721 2HD LYS 94 2HD LYS 94 18.415 7.679 -14.838 722 1HE LYS 94 1HE LYS 94 20.749 6.971 -14.372 723 2HE LYS 94 2HE LYS 94 20.136 5.594 -13.441 724 1HZ LYS 94 1HZ LYS 94 19.585 6.110 -16.260 725 2HZ LYS 94 2HZ LYS 94 20.635 4.990 -15.656 726 3HZ LYS 94 3HZ LYS 94 19.017 4.835 -15.380 727 H ASN 95 H ASN 95 20.691 4.365 -11.004 728 HA ASN 95 HA ASN 95 23.168 5.921 -11.303 729 1HB ASN 95 1HB ASN 95 22.678 4.035 -8.948 730 2HB ASN 95 2HB ASN 95 24.227 4.764 -9.391 731 1HD2 ASN 95 1HD2 ASN 95 21.392 6.936 -7.346 732 2HD2 ASN 95 2HD2 ASN 95 21.034 5.344 -7.978 733 H LYS 96 H LYS 96 21.482 2.823 -10.877 734 HA LYS 96 HA LYS 96 22.902 1.629 -13.132 735 1HB LYS 96 1HB LYS 96 23.700 -0.259 -12.040 736 2HB LYS 96 2HB LYS 96 24.285 1.101 -11.101 737 1HG LYS 96 1HG LYS 96 21.946 -0.747 -10.412 738 2HG LYS 96 2HG LYS 96 23.557 -0.872 -9.750 739 1HD LYS 96 1HD LYS 96 21.994 1.687 -9.279 740 2HD LYS 96 2HD LYS 96 21.614 0.233 -8.397 741 1HE LYS 96 1HE LYS 96 23.147 1.597 -7.113 742 2HE LYS 96 2HE LYS 96 23.928 0.071 -7.555 743 1HZ LYS 96 1HZ LYS 96 24.310 2.619 -8.955 744 2HZ LYS 96 2HZ LYS 96 25.335 1.987 -7.828 745 3HZ LYS 96 3HZ LYS 96 25.100 1.202 -9.255 746 H LYS 97 H LYS 97 20.352 1.433 -10.641 747 HA LYS 97 HA LYS 97 19.051 -0.793 -11.950 748 1HB LYS 97 1HB LYS 97 19.221 -0.577 -9.499 749 2HB LYS 97 2HB LYS 97 18.244 0.892 -9.559 750 1HG LYS 97 1HG LYS 97 16.886 -0.981 -8.866 751 2HG LYS 97 2HG LYS 97 16.315 -0.418 -10.431 752 1HD LYS 97 1HD LYS 97 17.380 -2.292 -11.567 753 2HD LYS 97 2HD LYS 97 18.217 -2.770 -10.076 754 1HE LYS 97 1HE LYS 97 16.017 -3.222 -9.003 755 2HE LYS 97 2HE LYS 97 15.202 -2.751 -10.510 756 1HZ LYS 97 1HZ LYS 97 16.322 -4.551 -11.596 757 2HZ LYS 97 2HZ LYS 97 17.080 -4.982 -10.195 758 3HZ LYS 97 3HZ LYS 97 15.439 -5.104 -10.317 759 H LYS 98 H LYS 98 18.116 2.602 -11.202 760 HA LYS 98 HA LYS 98 16.649 4.034 -12.059 761 1HB LYS 98 1HB LYS 98 17.624 3.453 -14.258 762 2HB LYS 98 2HB LYS 98 16.373 2.222 -14.500 763 1HG LYS 98 1HG LYS 98 14.622 3.882 -14.520 764 2HG LYS 98 2HG LYS 98 15.762 5.165 -14.056 765 1HD LYS 98 1HD LYS 98 16.980 4.828 -16.191 766 2HD LYS 98 2HD LYS 98 15.865 3.515 -16.622 767 1HE LYS 98 1HE LYS 98 13.966 5.120 -16.565 768 2HE LYS 98 2HE LYS 98 15.092 6.429 -16.151 769 1HZ LYS 98 1HZ LYS 98 15.152 4.828 -18.607 770 2HZ LYS 98 2HZ LYS 98 14.599 6.376 -18.473 771 3HZ LYS 98 3HZ LYS 98 16.197 6.045 -18.227 772 H GLU 99 H GLU 99 14.276 4.366 -12.366 773 HA GLU 99 HA GLU 99 12.877 2.926 -10.458 774 1HB GLU 99 1HB GLU 99 12.348 5.222 -11.282 775 2HB GLU 99 2HB GLU 99 11.580 4.492 -12.707 776 1HG GLU 99 1HG GLU 99 10.060 3.201 -11.208 777 2HG GLU 99 2HG GLU 99 10.880 3.886 -9.796 778 H GLU 100 H GLU 100 11.930 1.030 -10.377 779 HA GLU 100 HA GLU 100 10.820 -0.301 -12.775 780 1HB GLU 100 1HB GLU 100 13.155 -1.027 -12.670 781 2HB GLU 100 2HB GLU 100 12.974 -1.462 -10.970 782 1HG GLU 100 1HG GLU 100 11.217 -3.153 -11.640 783 2HG GLU 100 2HG GLU 100 11.524 -2.734 -13.333 784 H THR 101 H THR 101 8.776 -0.393 -12.093 785 HA THR 101 HA THR 101 8.020 -0.773 -9.299 786 HB THR 101 HB THR 101 6.361 -0.548 -11.850 787 HG1 THR 101 HG1 THR 101 7.160 1.387 -9.938 788 1HG2 THR 101 1HG2 THR 101 5.616 -0.100 -8.931 789 2HG2 THR 101 2HG2 THR 101 4.551 0.136 -10.329 790 H LYS 102 H LYS 102 8.875 -2.866 -8.853 791 HA LYS 102 HA LYS 102 8.058 -5.156 -10.491 792 1HB LYS 102 1HB LYS 102 10.366 -4.711 -9.532 793 2HB LYS 102 2HB LYS 102 9.722 -5.168 -7.958 794 1HG LYS 102 1HG LYS 102 9.766 -6.913 -10.463 795 2HG LYS 102 2HG LYS 102 10.917 -6.980 -9.121 796 1HD LYS 102 1HD LYS 102 8.989 -7.539 -7.575 797 2HD LYS 102 2HD LYS 102 7.965 -7.685 -9.024 798 1HE LYS 102 1HE LYS 102 9.475 -9.419 -9.927 799 2HE LYS 102 2HE LYS 102 10.477 -9.304 -8.464 800 1HZ LYS 102 1HZ LYS 102 7.652 -10.084 -8.547 801 2HZ LYS 102 2HZ LYS 102 8.933 -11.101 -8.340 802 3HZ LYS 102 3HZ LYS 102 8.580 -9.974 -7.189 803 H SER 103 H SER 103 5.928 -5.631 -10.190 804 HA SER 103 HA SER 103 4.587 -5.431 -7.625 805 1HB SER 103 1HB SER 103 2.633 -6.221 -8.898 806 2HB SER 103 2HB SER 103 3.445 -4.879 -9.729 807 HG SER 103 HG SER 103 2.920 -6.602 -11.131 808 H PHE 104 H PHE 104 3.856 -7.116 -6.308 809 HA PHE 104 HA PHE 104 3.982 -9.836 -7.202 810 1HB PHE 104 1HB PHE 104 5.464 -10.741 -5.520 811 2HB PHE 104 2HB PHE 104 6.318 -9.615 -6.553 812 HD1 PHE 104 HD1 PHE 104 7.041 -7.381 -5.680 813 HD2 PHE 104 HD2 PHE 104 5.243 -10.360 -3.135 814 HE1 PHE 104 HE1 PHE 104 7.986 -6.257 -3.680 815 HE2 PHE 104 HE2 PHE 104 6.191 -9.231 -1.144 816 HZ PHE 104 1HZ PHE 104 7.579 -7.186 -1.415 817 HA PRO 105 HA PRO 105 0.679 -9.743 -4.116 818 1HB PRO 105 1HB PRO 105 -0.247 -12.276 -4.314 819 2HB PRO 105 2HB PRO 105 -0.399 -11.126 -5.676 820 1HG PRO 105 1HG PRO 105 1.755 -13.225 -5.258 821 2HG PRO 105 2HG PRO 105 0.755 -12.965 -6.718 822 1HD PRO 105 1HD PRO 105 3.260 -11.903 -6.452 823 2HD PRO 105 2HD PRO 105 1.955 -11.017 -7.299 824 H ILE 106 H ILE 106 0.166 -10.753 -2.029 825 HA ILE 106 HA ILE 106 2.583 -11.740 -0.665 826 HB ILE 106 HB ILE 106 1.136 -9.719 0.065 827 1HG1 ILE 106 1HG1 ILE 106 1.482 -10.085 2.422 828 2HG1 ILE 106 2HG1 ILE 106 1.794 -11.838 2.134 829 1HG2 ILE 106 1HG2 ILE 106 -1.058 -10.905 -0.086 830 2HG2 ILE 106 2HG2 ILE 106 -0.592 -11.885 1.322 831 3HG2 ILE 106 3HG2 ILE 106 -0.763 -10.137 1.485 832 1HD1 ILE 106 1HD1 ILE 106 3.438 -9.597 0.842 833 2HD1 ILE 106 2HD1 ILE 106 3.816 -10.233 2.441 834 3HD1 ILE 106 3HD1 ILE 106 3.887 -11.308 1.041 835 H THR 107 H THR 107 2.549 -13.571 0.717 836 HA THR 107 HA THR 107 0.548 -15.656 0.060 837 HB THR 107 1HB THR 107 1.978 -17.126 1.382 838 HG1 THR 107 HG1 THR 107 2.865 -15.562 2.786 839 1HG2 THR 107 1HG2 THR 107 2.386 -16.848 -1.046 840 2HG2 THR 107 2HG2 THR 107 3.554 -15.554 -0.701 841 H GLU 108 H GLU 108 -1.297 -15.535 1.155 842 HA GLU 108 HA GLU 108 -1.733 -13.842 3.345 843 1HB GLU 108 1HB GLU 108 -3.988 -14.764 3.374 844 2HB GLU 108 2HB GLU 108 -3.446 -14.428 1.724 845 1HG GLU 108 1HG GLU 108 -2.951 -16.860 1.414 846 2HG GLU 108 2HG GLU 108 -3.521 -17.173 3.060 847 H LYS 109 H LYS 109 -0.604 -17.143 3.359 848 HA LYS 109 HA LYS 109 -1.442 -17.931 5.945 849 1HB LYS 109 1HB LYS 109 0.245 -19.638 5.775 850 2HB LYS 109 2HB LYS 109 -0.616 -19.464 4.239 851 1HG LYS 109 1HG LYS 109 1.339 -17.991 3.460 852 2HG LYS 109 2HG LYS 109 2.214 -18.538 4.898 853 1HD LYS 109 1HD LYS 109 1.086 -20.342 2.715 854 2HD LYS 109 2HD LYS 109 2.772 -19.818 2.862 855 1HE LYS 109 1HE LYS 109 2.904 -20.926 5.101 856 2HE LYS 109 2HE LYS 109 1.253 -21.541 4.871 857 1HZ LYS 109 1HZ LYS 109 3.547 -22.119 3.144 858 2HZ LYS 109 2HZ LYS 109 2.883 -23.141 4.255 859 3HZ LYS 109 3HZ LYS 109 2.012 -22.684 2.931 860 H GLY 110 H GLY 110 1.490 -16.160 4.840 861 1HA GLY 110 1HA GLY 110 1.916 -14.610 7.086 862 2HA GLY 110 2HA GLY 110 2.733 -16.140 7.447 863 H PHE 111 H PHE 111 3.576 -13.239 6.594 864 HA PHE 111 HA PHE 111 6.010 -14.103 5.322 865 1HB PHE 111 1HB PHE 111 4.366 -13.834 3.385 866 2HB PHE 111 2HB PHE 111 4.288 -12.133 3.768 867 HD1 PHE 111 HD1 PHE 111 6.571 -14.915 2.764 868 HD2 PHE 111 HD2 PHE 111 6.026 -10.640 2.928 869 HE1 PHE 111 HE1 PHE 111 8.525 -14.602 1.267 870 HE2 PHE 111 HE2 PHE 111 7.914 -10.342 1.354 871 HZ PHE 111 1HZ PHE 111 9.191 -12.316 0.551 872 H VAL 112 H VAL 112 7.493 -12.160 5.021 873 HA VAL 112 HA VAL 112 7.023 -10.042 7.078 874 HB VAL 112 HB VAL 112 9.375 -11.942 6.706 875 1HG1 VAL 112 1HG1 VAL 112 9.248 -9.357 8.289 876 2HG1 VAL 112 2HG1 VAL 112 10.452 -10.629 8.585 877 3HG1 VAL 112 3HG1 VAL 112 10.415 -9.808 7.026 878 1HG2 VAL 112 1HG2 VAL 112 7.530 -12.765 8.161 879 2HG2 VAL 112 2HG2 VAL 112 9.002 -12.446 9.083 880 3HG2 VAL 112 3HG2 VAL 112 7.660 -11.289 9.143 881 H VAL 113 H VAL 113 7.929 -8.044 6.616 882 HA VAL 113 HA VAL 113 8.381 -7.283 3.937 883 HB VAL 113 HB VAL 113 9.289 -5.892 6.482 884 1HG1 VAL 113 1HG1 VAL 113 10.433 -5.013 4.442 885 2HG1 VAL 113 2HG1 VAL 113 8.856 -4.817 3.654 886 3HG1 VAL 113 3HG1 VAL 113 9.270 -3.847 5.080 887 1HG2 VAL 113 1HG2 VAL 113 6.723 -5.641 4.864 888 2HG2 VAL 113 2HG2 VAL 113 6.895 -6.199 6.546 889 3HG2 VAL 113 3HG2 VAL 113 7.231 -4.516 6.141 890 HA PRO 114 HA PRO 114 12.345 -9.340 3.976 891 1HB PRO 114 1HB PRO 114 13.039 -9.261 1.348 892 2HB PRO 114 2HB PRO 114 11.625 -10.153 1.952 893 1HG PRO 114 1HG PRO 114 11.601 -7.366 0.753 894 2HG PRO 114 2HG PRO 114 10.589 -8.769 0.310 895 1HD PRO 114 1HD PRO 114 9.745 -6.846 2.062 896 2HD PRO 114 2HD PRO 114 9.295 -8.564 2.254 897 H ASP 115 H ASP 115 13.488 -7.250 1.420 898 HA ASP 115 HA ASP 115 14.767 -5.267 3.072 899 1HB ASP 115 1HB ASP 115 16.092 -7.365 3.632 900 2HB ASP 115 2HB ASP 115 16.471 -7.529 1.918 901 H LEU 116 H LEU 116 16.379 -4.034 1.714 902 HA LEU 116 HA LEU 116 15.441 -3.614 -1.019 903 1HB LEU 116 1HB LEU 116 16.958 -1.727 -0.967 904 2HB LEU 116 2HB LEU 116 15.970 -1.765 0.480 905 HG LEU 116 HG LEU 116 18.386 -3.247 1.067 906 1HD1 LEU 116 1HD1 LEU 116 18.851 -0.474 -0.094 907 2HD1 LEU 116 2HD1 LEU 116 20.046 -1.442 0.796 908 3HD1 LEU 116 3HD1 LEU 116 19.446 -2.008 -0.772 909 1HD2 LEU 116 1HD2 LEU 116 16.933 -2.093 2.701 910 2HD2 LEU 116 2HD2 LEU 116 18.615 -1.542 2.812 911 3HD2 LEU 116 3HD2 LEU 116 17.401 -0.523 2.010 912 H SER 117 H SER 117 17.026 -6.183 -0.113 913 HA SER 117 HA SER 117 18.523 -7.589 -0.896 914 1HB SER 117 1HB SER 117 17.417 -7.315 -3.030 915 2HB SER 117 2HB SER 117 18.440 -5.941 -3.460 916 HG SER 117 HG SER 117 19.322 -8.578 -2.906 917 H GLU 118 H GLU 118 20.164 -5.080 -2.784 918 HA GLU 118 HA GLU 118 22.149 -4.425 -0.789 919 1HB GLU 118 1HB GLU 118 22.791 -6.780 -1.236 920 2HB GLU 118 2HB GLU 118 22.860 -6.445 -2.972 921 1HG GLU 118 1HG GLU 118 24.722 -4.853 -2.593 922 2HG GLU 118 2HG GLU 118 24.591 -5.108 -0.845 923 H HIS 119 H HIS 119 21.484 -4.884 -4.259 924 HA HIS 119 HA HIS 119 23.376 -3.024 -5.193 925 1HB HIS 119 1HB HIS 119 22.469 -3.526 -7.366 926 2HB HIS 119 2HB HIS 119 22.551 -5.001 -6.407 927 HD1 HIS 119 HD1 HIS 119 19.918 -5.364 -5.040 928 HD2 HIS 119 HD2 HIS 119 20.282 -3.392 -8.740 929 HE1 HIS 119 HE1 HIS 119 17.607 -5.416 -6.130 930 H ILE 120 H ILE 120 20.558 -2.114 -3.624 931 HA ILE 120 HA ILE 120 20.478 0.507 -5.045 932 HB ILE 120 HB ILE 120 17.989 0.487 -4.688 933 1HG1 ILE 120 1HG1 ILE 120 18.304 -2.520 -4.286 934 2HG1 ILE 120 2HG1 ILE 120 18.115 -1.375 -2.941 935 1HG2 ILE 120 1HG2 ILE 120 19.060 0.002 -6.879 936 2HG2 ILE 120 2HG2 ILE 120 18.952 -1.730 -6.513 937 3HG2 ILE 120 3HG2 ILE 120 17.478 -0.756 -6.661 938 1HD1 ILE 120 1HD1 ILE 120 15.955 -0.626 -3.864 939 2HD1 ILE 120 2HD1 ILE 120 16.113 -1.814 -5.186 940 3HD1 ILE 120 3HD1 ILE 120 15.966 -2.364 -3.510 941 H LYS 121 H LYS 121 18.812 1.884 -3.542 942 HA LYS 121 HA LYS 121 19.687 1.675 -0.698 943 1HB LYS 121 1HB LYS 121 21.087 3.341 -1.697 944 2HB LYS 121 2HB LYS 121 19.713 4.101 -2.518 945 1HG LYS 121 1HG LYS 121 18.759 4.839 -0.418 946 2HG LYS 121 2HG LYS 121 19.952 3.914 0.518 947 1HD LYS 121 1HD LYS 121 21.746 5.363 -0.209 948 2HD LYS 121 2HD LYS 121 20.701 6.160 -1.397 949 1HE LYS 121 1HE LYS 121 19.258 7.022 0.433 950 2HE LYS 121 2HE LYS 121 20.335 6.266 1.625 951 1HZ LYS 121 1HZ LYS 121 21.089 8.340 -0.309 952 2HZ LYS 121 2HZ LYS 121 20.821 8.571 1.302 953 3HZ LYS 121 3HZ LYS 121 22.096 7.650 0.801 954 H ASN 122 H ASN 122 17.334 2.988 -3.068 955 HA ASN 122 HA ASN 122 15.469 3.621 -0.829 956 1HB ASN 122 1HB ASN 122 14.779 5.517 -2.064 957 2HB ASN 122 2HB ASN 122 16.520 5.554 -1.804 958 1HD2 ASN 122 1HD2 ASN 122 17.287 5.086 -5.346 959 2HD2 ASN 122 2HD2 ASN 122 17.843 4.570 -3.771 960 HA PRO 123 HA PRO 123 12.903 0.808 -3.519 961 1HB PRO 123 1HB PRO 123 11.880 -0.789 -1.605 962 2HB PRO 123 2HB PRO 123 13.507 -1.084 -2.279 963 1HG PRO 123 1HG PRO 123 12.861 0.447 0.261 964 2HG PRO 123 2HG PRO 123 13.971 -0.933 0.078 965 1HD PRO 123 1HD PRO 123 14.893 1.601 -0.013 966 2HD PRO 123 2HD PRO 123 15.534 0.406 -1.171 967 H GLY 124 H GLY 124 10.767 1.302 -3.828 968 1HA GLY 124 1HA GLY 124 9.449 3.213 -1.923 969 2HA GLY 124 2HA GLY 124 9.291 3.206 -3.681 970 H PHE 125 H PHE 125 8.686 1.253 -0.760 971 HA PHE 125 HA PHE 125 7.029 -0.745 -1.961 972 1HB PHE 125 1HB PHE 125 7.542 0.241 0.845 973 2HB PHE 125 2HB PHE 125 6.276 -0.943 0.529 974 HD1 PHE 125 HD1 PHE 125 9.969 -0.383 0.061 975 HD2 PHE 125 HD2 PHE 125 6.751 -3.223 0.492 976 HE1 PHE 125 HE1 PHE 125 11.614 -2.227 0.323 977 HE2 PHE 125 HE2 PHE 125 8.399 -5.057 0.708 978 HZ PHE 125 1HZ PHE 125 10.835 -4.560 0.638 979 H ASN 126 H ASN 126 5.443 0.240 -3.261 980 HA ASN 126 HA ASN 126 3.358 1.923 -1.999 981 1HB ASN 126 1HB ASN 126 3.671 0.764 -4.787 982 2HB ASN 126 2HB ASN 126 2.296 1.723 -4.240 983 1HD2 ASN 126 1HD2 ASN 126 5.776 3.529 -5.371 984 2HD2 ASN 126 2HD2 ASN 126 5.570 1.791 -5.404 985 H LEU 127 H LEU 127 2.374 0.673 -0.449 986 HA LEU 127 HA LEU 127 1.639 -2.105 -0.998 987 1HB LEU 127 1HB LEU 127 2.552 -0.892 1.229 988 2HB LEU 127 2HB LEU 127 0.847 -0.647 1.528 989 HG LEU 127 HG LEU 127 1.400 -2.610 2.658 990 1HD1 LEU 127 1HD1 LEU 127 -0.632 -3.028 1.343 991 2HD1 LEU 127 2HD1 LEU 127 0.338 -3.666 -0.004 992 3HD1 LEU 127 3HD1 LEU 127 0.312 -4.508 1.546 993 1HD2 LEU 127 1HD2 LEU 127 3.018 -3.458 0.240 994 2HD2 LEU 127 2HD2 LEU 127 3.632 -2.913 1.809 995 3HD2 LEU 127 3HD2 LEU 127 2.759 -4.449 1.694 996 H ILE 128 H ILE 128 0.365 -0.776 -2.864 997 HA ILE 128 HA ILE 128 -2.234 0.277 -1.933 998 HB ILE 128 HB ILE 128 -0.806 0.435 -4.602 999 1HG1 ILE 128 1HG1 ILE 128 -1.265 2.504 -2.393 1000 2HG1 ILE 128 2HG1 ILE 128 0.258 1.672 -2.756 1001 1HG2 ILE 128 1HG2 ILE 128 -3.287 0.490 -4.861 1002 2HG2 ILE 128 2HG2 ILE 128 -3.382 1.757 -3.626 1003 3HG2 ILE 128 3HG2 ILE 128 -2.587 2.063 -5.188 1004 1HD1 ILE 128 1HD1 ILE 128 0.202 2.703 -5.064 1005 2HD1 ILE 128 2HD1 ILE 128 -1.189 3.678 -4.536 1006 3HD1 ILE 128 3HD1 ILE 128 0.372 3.865 -3.732 1007 H THR 129 H THR 129 -3.529 -1.424 -1.511 1008 HA THR 129 HA THR 129 -3.934 -3.543 -3.567 1009 HB THR 129 1HB THR 129 -4.610 -3.433 -0.600 1010 HG1 THR 129 HG1 THR 129 -2.407 -3.694 -1.090 1011 1HG2 THR 129 1HG2 THR 129 -4.961 -5.672 -2.638 1012 2HG2 THR 129 2HG2 THR 129 -5.136 -5.843 -0.876 1013 H LYS 130 H LYS 130 -5.949 -3.840 -4.474 1014 HA LYS 130 HA LYS 130 -7.746 -1.553 -4.398 1015 1HB LYS 130 1HB LYS 130 -6.966 -2.870 -6.416 1016 2HB LYS 130 2HB LYS 130 -8.048 -4.165 -5.934 1017 1HG LYS 130 1HG LYS 130 -8.833 -1.274 -6.569 1018 2HG LYS 130 2HG LYS 130 -8.887 -2.607 -7.714 1019 1HD LYS 130 1HD LYS 130 -10.655 -2.209 -5.283 1020 2HD LYS 130 2HD LYS 130 -11.097 -2.161 -6.981 1021 1HE LYS 130 1HE LYS 130 -10.255 -4.649 -5.436 1022 2HE LYS 130 2HE LYS 130 -11.870 -4.236 -6.007 1023 1HZ LYS 130 1HZ LYS 130 -11.053 -4.349 -8.243 1024 2HZ LYS 130 2HZ LYS 130 -9.544 -4.751 -7.712 1025 3HZ LYS 130 3HZ LYS 130 -10.808 -5.775 -7.451 1026 H VAL 131 H VAL 131 -9.531 -1.382 -3.136 1027 HA VAL 131 HA VAL 131 -10.944 -3.839 -2.283 1028 HB VAL 131 HB VAL 131 -11.348 -3.023 -0.082 1029 1HG1 VAL 131 1HG1 VAL 131 -9.227 -4.275 -0.459 1030 2HG1 VAL 131 2HG1 VAL 131 -8.359 -2.730 -0.595 1031 3HG1 VAL 131 3HG1 VAL 131 -9.156 -3.170 0.925 1032 1HG2 VAL 131 1HG2 VAL 131 -9.784 -0.525 -0.843 1033 2HG2 VAL 131 2HG2 VAL 131 -11.498 -0.630 -0.399 1034 3HG2 VAL 131 3HG2 VAL 131 -10.267 -0.967 0.812 1035 H VAL 132 H VAL 132 -13.153 -3.656 -2.084 1036 HA VAL 132 HA VAL 132 -14.372 -1.420 -3.595 1037 HB VAL 132 HB VAL 132 -15.612 -4.040 -2.708 1038 1HG1 VAL 132 1HG1 VAL 132 -17.189 -2.216 -3.357 1039 2HG1 VAL 132 2HG1 VAL 132 -16.356 -2.078 -4.918 1040 3HG1 VAL 132 3HG1 VAL 132 -17.228 -3.566 -4.500 1041 1HG2 VAL 132 1HG2 VAL 132 -14.199 -3.376 -5.327 1042 2HG2 VAL 132 2HG2 VAL 132 -13.717 -4.622 -4.151 1043 3HG2 VAL 132 3HG2 VAL 132 -15.218 -4.805 -5.062 1044 H ILE 133 H ILE 133 -15.635 0.056 -2.591 1045 HA ILE 133 HA ILE 133 -16.318 -0.286 0.299 1046 HB ILE 133 HB ILE 133 -15.320 2.223 -1.094 1047 1HG1 ILE 133 1HG1 ILE 133 -13.920 0.342 0.855 1048 2HG1 ILE 133 2HG1 ILE 133 -13.521 0.626 -0.858 1049 1HG2 ILE 133 1HG2 ILE 133 -16.972 2.616 0.761 1050 2HG2 ILE 133 2HG2 ILE 133 -15.932 1.674 1.845 1051 3HG2 ILE 133 3HG2 ILE 133 -15.374 3.214 1.146 1052 1HD1 ILE 133 1HD1 ILE 133 -13.114 3.070 -0.244 1053 2HD1 ILE 133 2HD1 ILE 133 -13.238 2.599 1.465 1054 3HD1 ILE 133 3HD1 ILE 133 -11.963 1.907 0.456 1055 H GLU 134 H GLU 134 -18.466 -0.651 0.207 1056 HA GLU 134 HA GLU 134 -20.309 1.120 -1.225 1057 1HB GLU 134 1HB GLU 134 -21.079 -1.098 -0.661 1058 2HB GLU 134 2HB GLU 134 -20.605 -0.909 1.031 1059 1HG GLU 134 1HG GLU 134 -23.045 -0.706 0.705 1060 2HG GLU 134 2HG GLU 134 -22.332 0.734 1.432 1061 H LYS 135 H LYS 135 -20.964 3.091 -0.457 1062 HA LYS 135 HA LYS 135 -19.624 4.249 1.873 1063 1HB LYS 135 1HB LYS 135 -21.012 6.259 1.261 1064 2HB LYS 135 2HB LYS 135 -19.769 5.757 0.124 1065 1HG LYS 135 1HG LYS 135 -22.524 4.672 -0.386 1066 2HG LYS 135 2HG LYS 135 -22.294 6.409 -0.599 1067 1HD LYS 135 1HD LYS 135 -20.507 6.106 -2.174 1068 2HD LYS 135 2HD LYS 135 -20.479 4.355 -1.935 1069 1HE LYS 135 1HE LYS 135 -22.884 5.901 -3.005 1070 2HE LYS 135 2HE LYS 135 -21.661 5.125 -4.023 1071 1HZ LYS 135 1HZ LYS 135 -22.218 3.037 -3.024 1072 2HZ LYS 135 2HZ LYS 135 -23.378 3.745 -2.091 1073 3HZ LYS 135 3HZ LYS 135 -23.540 3.723 -3.731 1074 H LYS 136 H LYS 136 -20.335 3.207 3.686 1075 HA LYS 136 HA LYS 136 -21.623 2.656 5.435 1076 1HB LYS 136 1HB LYS 136 -22.036 5.140 5.308 1077 2HB LYS 136 2HB LYS 136 -23.575 4.809 4.511 1078 1HG LYS 136 1HG LYS 136 -22.760 3.835 7.290 1079 2HG LYS 136 2HG LYS 136 -23.716 5.271 6.940 1080 1HD LYS 136 1HD LYS 136 -25.536 4.008 7.184 1081 2HD LYS 136 2HD LYS 136 -25.176 3.361 5.590 1082 1HE LYS 136 1HE LYS 136 -25.520 1.481 7.016 1083 2HE LYS 136 2HE LYS 136 -23.759 1.564 6.830 1084 1HZ LYS 136 1HZ LYS 136 -25.313 2.594 9.096 1085 2HZ LYS 136 2HZ LYS 136 -24.392 1.226 9.085 1086 3HZ LYS 136 3HZ LYS 136 -23.676 2.703 8.935 No H/Q in entry = 1086 Start of MODEL 4 1 H SER 1 H SER 1 -12.058 8.004 2.133 2 HA SER 1 HA SER 1 -12.362 5.491 2.579 3 1HB SER 1 1HB SER 1 -11.083 5.616 4.685 4 2HB SER 1 2HB SER 1 -12.365 6.592 5.422 5 HG SER 1 HG SER 1 -12.619 4.394 5.905 6 H SER 2 H SER 2 -13.703 8.227 4.471 7 HA SER 2 HA SER 2 -16.484 7.552 3.705 8 1HB SER 2 1HB SER 2 -15.384 9.787 5.466 9 2HB SER 2 2HB SER 2 -17.078 9.300 5.274 10 HG SER 2 HG SER 2 -14.971 7.732 6.338 11 H SER 3 H SER 3 -15.287 7.904 1.445 12 HA SER 3 HA SER 3 -14.868 9.051 -0.409 13 1HB SER 3 1HB SER 3 -17.288 9.533 -0.276 14 2HB SER 3 2HB SER 3 -16.951 11.044 0.588 15 HG SER 3 HG SER 3 -15.995 10.344 -1.993 16 H PHE 4 H PHE 4 -12.781 9.272 0.888 17 HA PHE 4 HA PHE 4 -11.913 11.774 1.913 18 1HB PHE 4 1HB PHE 4 -10.647 9.826 2.396 19 2HB PHE 4 2HB PHE 4 -10.491 9.387 0.700 20 HD1 PHE 4 HD1 PHE 4 -8.885 10.522 -0.787 21 HD2 PHE 4 HD2 PHE 4 -9.216 11.563 3.385 22 HE1 PHE 4 HE1 PHE 4 -6.906 11.996 -0.997 23 HE2 PHE 4 HE2 PHE 4 -7.151 12.929 3.196 24 HZ PHE 4 1HZ PHE 4 -6.030 13.190 1.006 25 H ASP 5 H ASP 5 -11.151 13.597 0.948 26 HA ASP 5 HA ASP 5 -10.164 13.692 -1.750 27 1HB ASP 5 1HB ASP 5 -12.571 13.601 -2.294 28 2HB ASP 5 2HB ASP 5 -12.888 14.951 -1.203 29 H LYS 6 H LYS 6 -8.386 14.713 -0.929 30 HA LYS 6 HA LYS 6 -8.633 17.569 -0.764 31 1HB LYS 6 1HB LYS 6 -7.415 17.887 1.378 32 2HB LYS 6 2HB LYS 6 -9.023 17.199 1.595 33 1HG LYS 6 1HG LYS 6 -8.109 14.970 1.899 34 2HG LYS 6 2HG LYS 6 -6.469 15.539 1.535 35 1HD LYS 6 1HD LYS 6 -6.570 15.308 3.872 36 2HD LYS 6 2HD LYS 6 -6.626 17.050 3.562 37 1HE LYS 6 1HE LYS 6 -9.073 17.043 3.933 38 2HE LYS 6 2HE LYS 6 -9.057 15.275 4.106 39 1HZ LYS 6 1HZ LYS 6 -7.675 15.533 6.021 40 2HZ LYS 6 2HZ LYS 6 -7.689 17.174 5.869 41 3HZ LYS 6 3HZ LYS 6 -9.086 16.365 6.207 42 H GLY 7 H GLY 7 -7.559 15.716 -2.602 43 1HA GLY 7 1HA GLY 7 -5.722 15.559 -3.951 44 2HA GLY 7 2HA GLY 7 -4.804 16.629 -2.878 45 H LYS 8 H LYS 8 -3.699 14.296 -4.047 46 HA LYS 8 HA LYS 8 -3.749 12.114 -2.150 47 1HB LYS 8 1HB LYS 8 -1.989 11.130 -3.505 48 2HB LYS 8 2HB LYS 8 -3.454 11.559 -4.397 49 1HG LYS 8 1HG LYS 8 -2.299 13.585 -5.292 50 2HG LYS 8 2HG LYS 8 -0.796 13.055 -4.523 51 1HD LYS 8 1HD LYS 8 -2.377 11.408 -6.539 52 2HD LYS 8 2HD LYS 8 -1.017 12.463 -6.945 53 1HE LYS 8 1HE LYS 8 0.493 11.140 -5.523 54 2HE LYS 8 2HE LYS 8 -0.837 10.060 -5.071 55 1HZ LYS 8 1HZ LYS 8 0.172 10.454 -7.785 56 2HZ LYS 8 2HZ LYS 8 0.460 9.151 -6.816 57 3HZ LYS 8 3HZ LYS 8 -1.069 9.459 -7.349 58 H TYR 9 H TYR 9 -3.133 12.686 -0.152 59 HA TYR 9 HA TYR 9 -0.858 14.447 0.320 60 1HB TYR 9 1HB TYR 9 -2.955 14.686 1.543 61 2HB TYR 9 2HB TYR 9 -2.805 13.060 2.191 62 HD1 TYR 9 HD1 TYR 9 -0.955 16.338 2.004 63 HD2 TYR 9 HD2 TYR 9 -1.755 12.786 4.318 64 HE1 TYR 9 HE1 TYR 9 0.440 17.222 3.850 65 HE2 TYR 9 HE2 TYR 9 -0.350 13.665 6.152 66 HH TYR 9 HH TYR 9 0.986 15.390 6.884 67 H LYS 10 H LYS 10 0.756 13.011 -0.646 68 HA LYS 10 HA LYS 10 1.995 11.420 1.502 69 1HB LYS 10 1HB LYS 10 2.610 9.611 0.098 70 2HB LYS 10 2HB LYS 10 0.863 9.766 0.052 71 1HG LYS 10 1HG LYS 10 0.941 10.836 -2.138 72 2HG LYS 10 2HG LYS 10 2.703 10.845 -2.145 73 1HD LYS 10 1HD LYS 10 0.924 8.378 -2.104 74 2HD LYS 10 2HD LYS 10 1.777 9.022 -3.513 75 1HE LYS 10 1HE LYS 10 3.016 7.747 -1.034 76 2HE LYS 10 2HE LYS 10 2.983 7.113 -2.678 77 1HZ LYS 10 1HZ LYS 10 4.348 8.947 -3.361 78 2HZ LYS 10 2HZ LYS 10 4.404 9.527 -1.818 79 3HZ LYS 10 3HZ LYS 10 5.080 8.068 -2.173 80 H LYS 11 H LYS 11 4.279 10.719 -0.155 81 HA LYS 11 HA LYS 11 6.290 11.543 -0.683 82 1HB LYS 11 1HB LYS 11 4.859 12.555 -2.561 83 2HB LYS 11 2HB LYS 11 4.940 14.088 -1.683 84 1HG LYS 11 1HG LYS 11 7.473 13.910 -1.797 85 2HG LYS 11 2HG LYS 11 7.252 12.460 -2.802 86 1HD LYS 11 1HD LYS 11 5.980 13.812 -4.453 87 2HD LYS 11 2HD LYS 11 6.194 15.253 -3.436 88 1HE LYS 11 1HE LYS 11 8.663 15.048 -3.684 89 2HE LYS 11 2HE LYS 11 8.429 13.629 -4.726 90 1HZ LYS 11 1HZ LYS 11 7.241 15.021 -6.248 91 2HZ LYS 11 2HZ LYS 11 7.457 16.339 -5.281 92 3HZ LYS 11 3HZ LYS 11 8.758 15.611 -5.987 93 H GLY 12 H GLY 12 5.660 11.660 1.906 94 1HA GLY 12 1HA GLY 12 6.145 14.373 3.015 95 2HA GLY 12 2HA GLY 12 5.451 12.969 3.830 96 H ASP 13 H ASP 13 7.310 10.976 3.199 97 HA ASP 13 HA ASP 13 9.400 11.643 5.121 98 1HB ASP 13 1HB ASP 13 8.005 9.598 5.256 99 2HB ASP 13 2HB ASP 13 8.694 9.029 3.735 100 H ASP 14 H ASP 14 9.990 13.222 3.163 101 HA ASP 14 HA ASP 14 11.548 13.964 1.759 102 1HB ASP 14 1HB ASP 14 13.270 11.840 3.097 103 2HB ASP 14 2HB ASP 14 13.840 13.314 2.304 104 H ALA 15 H ALA 15 9.884 11.812 0.576 105 HA ALA 15 HA ALA 15 11.754 10.319 -1.138 106 1HB ALA 15 1HB ALA 15 9.855 9.179 -0.063 107 2HB ALA 15 2HB ALA 15 8.721 10.243 -0.920 108 3HB ALA 15 3HB ALA 15 9.748 9.118 -1.838 109 H SER 16 H SER 16 11.984 10.578 -3.315 110 HA SER 16 HA SER 16 10.212 12.079 -4.970 111 1HB SER 16 1HB SER 16 11.696 13.987 -5.520 112 2HB SER 16 2HB SER 16 11.202 14.038 -3.838 113 HG SER 16 HG SER 16 13.430 14.401 -4.085 114 H TYR 17 H TYR 17 13.027 12.797 -6.381 115 HA TYR 17 HA TYR 17 13.763 10.119 -7.400 116 1HB TYR 17 1HB TYR 17 12.729 12.490 -8.998 117 2HB TYR 17 2HB TYR 17 13.826 11.318 -9.705 118 HD1 TYR 17 HD1 TYR 17 10.404 11.732 -8.296 119 HD2 TYR 17 HD2 TYR 17 13.150 9.123 -10.361 120 HE1 TYR 17 HE1 TYR 17 8.529 10.228 -8.900 121 HE2 TYR 17 HE2 TYR 17 11.267 7.683 -11.047 122 HH TYR 17 HH TYR 17 9.003 7.280 -10.889 123 H PHE 18 H PHE 18 15.772 10.267 -8.646 124 HA PHE 18 HA PHE 18 17.914 10.764 -8.924 125 1HB PHE 18 1HB PHE 18 16.997 12.928 -9.767 126 2HB PHE 18 2HB PHE 18 17.295 13.651 -8.193 127 HD1 PHE 18 HD1 PHE 18 19.673 13.852 -7.324 128 HD2 PHE 18 HD2 PHE 18 18.766 12.586 -11.344 129 HE1 PHE 18 HE1 PHE 18 22.044 14.173 -7.962 130 HE2 PHE 18 HE2 PHE 18 21.141 12.924 -11.982 131 HZ PHE 18 1HZ PHE 18 22.784 13.706 -10.288 132 H GLU 19 H GLU 19 18.998 9.642 -7.437 133 HA GLU 19 HA GLU 19 20.381 9.239 -5.784 134 1HB GLU 19 1HB GLU 19 20.846 11.783 -5.899 135 2HB GLU 19 2HB GLU 19 19.823 11.921 -4.466 136 1HG GLU 19 1HG GLU 19 22.132 11.884 -3.820 137 2HG GLU 19 2HG GLU 19 21.325 10.443 -3.210 138 HA PRO 20 HA PRO 20 17.479 7.665 -2.672 139 1HB PRO 20 1HB PRO 20 19.996 7.457 -0.984 140 2HB PRO 20 2HB PRO 20 18.673 6.280 -1.160 141 1HG PRO 20 1HG PRO 20 20.979 5.950 -2.529 142 2HG PRO 20 2HG PRO 20 19.437 5.749 -3.412 143 1HD PRO 20 1HD PRO 20 21.221 8.173 -3.330 144 2HD PRO 20 2HD PRO 20 20.461 7.365 -4.735 145 H THR 21 H THR 21 16.291 9.556 -2.212 146 HA THR 21 HA THR 21 17.383 11.544 -0.302 147 HB THR 21 1HB THR 21 15.289 12.790 -0.852 148 HG1 THR 21 HG1 THR 21 14.084 11.031 -1.659 149 1HG2 THR 21 1HG2 THR 21 17.124 12.147 -3.189 150 2HG2 THR 21 2HG2 THR 21 16.068 13.562 -3.037 151 H GLY 22 H GLY 22 14.618 9.234 -0.634 152 1HA GLY 22 1HA GLY 22 14.733 8.540 2.071 153 2HA GLY 22 2HA GLY 22 13.484 9.783 1.929 154 HA PRO 23 HA PRO 23 11.759 5.693 0.271 155 1HB PRO 23 1HB PRO 23 11.566 3.876 2.210 156 2HB PRO 23 2HB PRO 23 13.170 4.348 1.621 157 1HG PRO 23 1HG PRO 23 11.785 5.521 4.054 158 2HG PRO 23 2HG PRO 23 13.381 4.712 4.002 159 1HD PRO 23 1HD PRO 23 13.116 7.436 3.723 160 2HD PRO 23 2HD PRO 23 14.357 6.491 2.841 161 H TYR 24 H TYR 24 9.665 4.367 1.303 162 HA TYR 24 HA TYR 24 8.078 5.716 3.228 163 1HB TYR 24 1HB TYR 24 6.221 6.463 1.828 164 2HB TYR 24 2HB TYR 24 7.662 7.388 1.488 165 HD1 TYR 24 HD1 TYR 24 5.256 4.935 0.174 166 HD2 TYR 24 HD2 TYR 24 8.876 7.101 -0.673 167 HE1 TYR 24 HE1 TYR 24 4.983 4.446 -2.230 168 HE2 TYR 24 HE2 TYR 24 8.563 6.687 -3.093 169 HH TYR 24 HH TYR 24 7.263 5.697 -4.709 170 H LEU 25 H LEU 25 5.909 4.776 3.439 171 HA LEU 25 HA LEU 25 5.390 2.212 2.065 172 1HB LEU 25 1HB LEU 25 6.359 1.429 4.052 173 2HB LEU 25 2HB LEU 25 5.553 2.637 5.062 174 HG LEU 25 HG LEU 25 3.426 1.440 4.798 175 1HD1 LEU 25 1HD1 LEU 25 4.988 -0.526 3.064 176 2HD1 LEU 25 2HD1 LEU 25 3.315 -0.723 3.614 177 3HD1 LEU 25 3HD1 LEU 25 3.714 0.571 2.476 178 1HD2 LEU 25 1HD2 LEU 25 4.981 0.757 6.574 179 2HD2 LEU 25 2HD2 LEU 25 4.022 -0.614 5.980 180 3HD2 LEU 25 3HD2 LEU 25 5.717 -0.436 5.482 181 H MET 26 H MET 26 3.957 3.353 0.815 182 HA MET 26 HA MET 26 1.756 4.879 1.942 183 1HB MET 26 1HB MET 26 2.865 5.352 -0.238 184 2HB MET 26 2HB MET 26 2.230 3.843 -0.883 185 1HG MET 26 1HG MET 26 0.636 6.229 0.135 186 2HG MET 26 2HG MET 26 0.927 5.828 -1.555 187 1HE MET 26 1HE MET 26 -0.173 3.815 -2.852 188 2HE MET 26 2HE MET 26 0.348 2.618 -1.642 189 3HE MET 26 3HE MET 26 -1.353 2.696 -2.120 190 H VAL 27 H VAL 27 -0.118 3.974 2.684 191 HA VAL 27 HA VAL 27 -1.010 1.342 1.636 192 HB VAL 27 HB VAL 27 -0.901 2.032 4.603 193 1HG1 VAL 27 1HG1 VAL 27 -1.807 -0.452 3.071 194 2HG1 VAL 27 2HG1 VAL 27 -1.612 -0.372 4.828 195 3HG1 VAL 27 3HG1 VAL 27 -2.831 0.631 4.041 196 1HG2 VAL 27 1HG2 VAL 27 0.751 0.042 2.990 197 2HG2 VAL 27 2HG2 VAL 27 1.352 1.497 3.815 198 3HG2 VAL 27 3HG2 VAL 27 0.711 0.151 4.760 199 H ASN 28 H ASN 28 -2.512 2.386 0.387 200 HA ASN 28 HA ASN 28 -4.999 3.060 1.783 201 1HB ASN 28 1HB ASN 28 -3.708 4.924 -0.238 202 2HB ASN 28 2HB ASN 28 -5.382 5.066 0.318 203 1HD2 ASN 28 1HD2 ASN 28 -4.541 6.443 3.516 204 2HD2 ASN 28 2HD2 ASN 28 -5.765 5.578 2.612 205 H VAL 29 H VAL 29 -6.832 2.958 0.319 206 HA VAL 29 HA VAL 29 -6.341 1.161 -2.014 207 HB VAL 29 HB VAL 29 -8.164 -0.261 -1.141 208 1HG1 VAL 29 1HG1 VAL 29 -5.711 -0.673 -0.666 209 2HG1 VAL 29 2HG1 VAL 29 -5.957 0.061 0.926 210 3HG1 VAL 29 3HG1 VAL 29 -6.843 -1.416 0.487 211 1HG2 VAL 29 1HG2 VAL 29 -9.367 1.352 0.281 212 2HG2 VAL 29 2HG2 VAL 29 -8.871 -0.087 1.195 213 3HG2 VAL 29 3HG2 VAL 29 -7.980 1.427 1.393 214 H THR 30 H THR 30 -8.161 0.785 -3.372 215 HA THR 30 HA THR 30 -9.525 3.299 -4.035 216 HB THR 30 HB THR 30 -9.405 0.628 -5.504 217 HG1 THR 30 HG1 THR 30 -7.839 1.720 -6.729 218 1HG2 THR 30 1HG2 THR 30 -10.046 2.015 -7.464 219 2HG2 THR 30 2HG2 THR 30 -11.309 2.078 -6.224 220 H GLY 31 H GLY 31 -11.107 3.465 -2.412 221 1HA GLY 31 1HA GLY 31 -12.947 1.274 -1.804 222 2HA GLY 31 2HA GLY 31 -12.935 2.917 -1.154 223 H VAL 32 H VAL 32 -14.334 0.795 -3.483 224 HA VAL 32 HA VAL 32 -15.691 2.978 -4.953 225 HB VAL 32 HB VAL 32 -16.316 1.343 -6.555 226 1HG1 VAL 32 1HG1 VAL 32 -14.014 2.314 -6.671 227 2HG1 VAL 32 2HG1 VAL 32 -13.397 0.874 -5.833 228 3HG1 VAL 32 3HG1 VAL 32 -14.148 0.727 -7.429 229 1HG2 VAL 32 1HG2 VAL 32 -16.752 -0.619 -5.114 230 2HG2 VAL 32 2HG2 VAL 32 -15.672 -1.006 -6.456 231 3HG2 VAL 32 3HG2 VAL 32 -15.011 -0.785 -4.825 232 H ASP 33 H ASP 33 -18.059 2.384 -5.568 233 HA ASP 33 HA ASP 33 -19.655 1.992 -3.163 234 1HB ASP 33 1HB ASP 33 -20.417 2.162 -6.111 235 2HB ASP 33 2HB ASP 33 -21.561 2.048 -4.772 236 H SER 34 H SER 34 -19.203 0.177 -6.246 237 HA SER 34 HA SER 34 -19.517 -2.402 -4.863 238 1HB SER 34 1HB SER 34 -21.327 -3.100 -6.437 239 2HB SER 34 2HB SER 34 -21.818 -1.879 -5.254 240 HG SER 34 HG SER 34 -22.543 -1.401 -7.363 241 H LYS 35 H LYS 35 -19.715 -1.226 -8.262 242 HA LYS 35 HA LYS 35 -18.028 -3.449 -9.100 243 1HB LYS 35 1HB LYS 35 -19.447 -1.256 -10.660 244 2HB LYS 35 2HB LYS 35 -18.553 -2.611 -11.365 245 1HG LYS 35 1HG LYS 35 -20.120 -4.193 -10.142 246 2HG LYS 35 2HG LYS 35 -20.994 -2.774 -9.550 247 1HD LYS 35 1HD LYS 35 -22.309 -3.238 -11.328 248 2HD LYS 35 2HD LYS 35 -21.166 -2.166 -12.140 249 1HE LYS 35 1HE LYS 35 -21.117 -5.228 -12.121 250 2HE LYS 35 2HE LYS 35 -21.677 -4.202 -13.452 251 1HZ LYS 35 1HZ LYS 35 -19.459 -3.320 -13.613 252 2HZ LYS 35 2HZ LYS 35 -18.941 -4.338 -12.422 253 3HZ LYS 35 3HZ LYS 35 -19.489 -4.952 -13.848 254 H GLY 36 H GLY 36 -17.886 0.014 -10.076 255 1HA GLY 36 1HA GLY 36 -15.027 0.232 -9.459 256 2HA GLY 36 2HA GLY 36 -15.432 0.140 -11.181 257 H ASN 37 H ASN 37 -17.050 1.662 -8.373 258 HA ASN 37 HA ASN 37 -17.156 4.300 -9.790 259 1HB ASN 37 1HB ASN 37 -19.032 3.033 -7.770 260 2HB ASN 37 2HB ASN 37 -19.239 4.625 -8.525 261 1HD2 ASN 37 1HD2 ASN 37 -21.191 1.774 -10.261 262 2HD2 ASN 37 2HD2 ASN 37 -20.944 2.121 -8.563 263 H GLU 38 H GLU 38 -15.033 4.739 -8.937 264 HA GLU 38 HA GLU 38 -14.259 4.530 -6.265 265 1HB GLU 38 1HB GLU 38 -12.784 4.790 -8.243 266 2HB GLU 38 2HB GLU 38 -13.274 6.488 -8.379 267 1HG GLU 38 1HG GLU 38 -12.356 6.915 -6.099 268 2HG GLU 38 2HG GLU 38 -11.880 5.210 -5.990 269 H LEU 39 H LEU 39 -14.315 5.795 -4.505 270 HA LEU 39 HA LEU 39 -15.554 8.512 -4.631 271 1HB LEU 39 1HB LEU 39 -15.537 6.600 -2.268 272 2HB LEU 39 2HB LEU 39 -16.199 8.231 -2.336 273 HG LEU 39 HG LEU 39 -17.591 7.129 -4.394 274 1HD1 LEU 39 1HD1 LEU 39 -17.116 4.852 -2.396 275 2HD1 LEU 39 2HD1 LEU 39 -18.291 4.846 -3.717 276 3HD1 LEU 39 3HD1 LEU 39 -16.567 4.882 -4.081 277 1HD2 LEU 39 1HD2 LEU 39 -18.293 6.882 -1.437 278 2HD2 LEU 39 2HD2 LEU 39 -18.557 8.312 -2.461 279 3HD2 LEU 39 3HD2 LEU 39 -19.438 6.814 -2.796 280 H LEU 40 H LEU 40 -12.789 6.523 -3.701 281 HA LEU 40 HA LEU 40 -11.266 8.967 -3.069 282 1HB LEU 40 1HB LEU 40 -10.259 7.874 -1.098 283 2HB LEU 40 2HB LEU 40 -11.952 8.314 -0.885 284 HG LEU 40 HG LEU 40 -11.624 5.531 -1.878 285 1HD1 LEU 40 1HD1 LEU 40 -10.487 6.251 0.840 286 2HD1 LEU 40 2HD1 LEU 40 -10.791 4.608 0.233 287 3HD1 LEU 40 3HD1 LEU 40 -9.571 5.630 -0.549 288 1HD2 LEU 40 1HD2 LEU 40 -13.007 6.777 0.531 289 2HD2 LEU 40 2HD2 LEU 40 -13.742 6.439 -1.038 290 3HD2 LEU 40 3HD2 LEU 40 -13.197 5.099 -0.020 291 H SER 41 H SER 41 -9.107 8.856 -3.466 292 HA SER 41 HA SER 41 -8.245 6.832 -5.356 293 1HB SER 41 1HB SER 41 -6.818 9.248 -4.164 294 2HB SER 41 2HB SER 41 -6.244 8.267 -5.526 295 HG SER 41 HG SER 41 -8.165 8.831 -6.633 296 HA PRO 42 HA PRO 42 -6.005 4.467 -2.290 297 1HB PRO 42 1HB PRO 42 -4.526 2.817 -3.813 298 2HB PRO 42 2HB PRO 42 -6.284 2.895 -4.028 299 1HG PRO 42 1HG PRO 42 -4.223 4.435 -5.638 300 2HG PRO 42 2HG PRO 42 -5.492 3.342 -6.268 301 1HD PRO 42 1HD PRO 42 -5.885 6.034 -6.079 302 2HD PRO 42 2HD PRO 42 -7.201 4.867 -5.753 303 H HIS 43 H HIS 43 -4.954 7.066 -2.242 304 HA HIS 43 HA HIS 43 -2.355 6.606 -1.235 305 1HB HIS 43 1HB HIS 43 -1.196 8.213 -2.942 306 2HB HIS 43 2HB HIS 43 -1.284 6.488 -3.246 307 HD1 HIS 43 HD1 HIS 43 -3.641 9.453 -4.185 308 HD2 HIS 43 HD2 HIS 43 -1.743 6.028 -5.724 309 HE1 HIS 43 HE1 HIS 43 -4.248 9.327 -6.667 310 H TYR 44 H TYR 44 -2.803 7.730 0.528 311 HA TYR 44 HA TYR 44 -2.454 10.544 0.369 312 1HB TYR 44 1HB TYR 44 -4.538 11.279 1.436 313 2HB TYR 44 2HB TYR 44 -4.801 10.656 -0.172 314 HD1 TYR 44 HD1 TYR 44 -5.965 8.492 -0.548 315 HD2 TYR 44 HD2 TYR 44 -5.496 10.167 3.397 316 HE1 TYR 44 HE1 TYR 44 -7.723 6.972 0.313 317 HE2 TYR 44 HE2 TYR 44 -7.213 8.605 4.256 318 HH TYR 44 HH TYR 44 -8.913 6.275 2.153 319 H VAL 45 H VAL 45 -1.703 7.858 1.843 320 HA VAL 45 HA VAL 45 -0.871 9.239 4.284 321 HB VAL 45 HB VAL 45 -2.354 6.563 4.411 322 1HG1 VAL 45 1HG1 VAL 45 -1.063 8.251 6.594 323 2HG1 VAL 45 2HG1 VAL 45 -2.042 6.793 6.859 324 3HG1 VAL 45 3HG1 VAL 45 -0.497 6.670 6.015 325 1HG2 VAL 45 1HG2 VAL 45 -3.188 9.280 5.515 326 2HG2 VAL 45 2HG2 VAL 45 -4.008 8.352 4.235 327 3HG2 VAL 45 3HG2 VAL 45 -3.975 7.730 5.881 328 H GLU 46 H GLU 46 1.213 8.625 4.735 329 HA GLU 46 HA GLU 46 2.089 5.943 3.981 330 1HB GLU 46 1HB GLU 46 4.173 6.656 2.973 331 2HB GLU 46 2HB GLU 46 2.803 7.264 2.040 332 1HG GLU 46 1HG GLU 46 3.093 9.505 2.929 333 2HG GLU 46 2HG GLU 46 4.290 8.943 4.107 334 H PHE 47 H PHE 47 4.353 5.525 4.875 335 HA PHE 47 HA PHE 47 4.645 6.707 7.582 336 1HB PHE 47 1HB PHE 47 4.372 3.748 6.907 337 2HB PHE 47 2HB PHE 47 4.718 4.394 8.502 338 HD1 PHE 47 HD1 PHE 47 2.977 5.966 9.591 339 HD2 PHE 47 HD2 PHE 47 2.104 3.462 6.191 340 HE1 PHE 47 HE1 PHE 47 0.547 6.191 10.041 341 HE2 PHE 47 HE2 PHE 47 -0.321 3.751 6.604 342 HZ PHE 47 1HZ PHE 47 -1.103 5.072 8.557 343 HA PRO 48 HA PRO 48 8.986 6.171 6.594 344 1HB PRO 48 1HB PRO 48 10.144 6.120 9.063 345 2HB PRO 48 2HB PRO 48 9.393 7.585 8.372 346 1HG PRO 48 1HG PRO 48 8.136 5.626 10.312 347 2HG PRO 48 2HG PRO 48 8.189 7.407 10.428 348 1HD PRO 48 1HD PRO 48 6.027 6.093 9.429 349 2HD PRO 48 2HD PRO 48 6.558 7.653 8.734 350 H ILE 49 H ILE 49 9.119 4.202 5.612 351 HA ILE 49 HA ILE 49 8.392 1.763 6.821 352 HB ILE 49 HB ILE 49 8.232 2.340 4.476 353 1HG1 ILE 49 1HG1 ILE 49 8.336 -0.095 5.380 354 2HG1 ILE 49 2HG1 ILE 49 8.345 0.230 3.618 355 1HG2 ILE 49 1HG2 ILE 49 10.297 3.498 4.083 356 2HG2 ILE 49 2HG2 ILE 49 11.226 1.994 4.219 357 3HG2 ILE 49 3HG2 ILE 49 10.041 2.200 2.910 358 1HD1 ILE 49 1HD1 ILE 49 10.878 -0.387 5.231 359 2HD1 ILE 49 2HD1 ILE 49 9.930 -1.552 4.300 360 3HD1 ILE 49 3HD1 ILE 49 10.719 -0.204 3.476 361 H LYS 50 H LYS 50 9.506 0.121 7.727 362 HA LYS 50 HA LYS 50 12.446 0.095 7.658 363 1HB LYS 50 1HB LYS 50 10.801 -0.148 10.211 364 2HB LYS 50 2HB LYS 50 12.517 -0.564 10.058 365 1HG LYS 50 1HG LYS 50 12.995 1.786 9.333 366 2HG LYS 50 2HG LYS 50 11.295 2.199 9.646 367 1HD LYS 50 1HD LYS 50 11.562 1.522 12.012 368 2HD LYS 50 2HD LYS 50 13.264 1.112 11.702 369 1HE LYS 50 1HE LYS 50 13.709 3.467 11.041 370 2HE LYS 50 2HE LYS 50 12.013 3.876 11.371 371 1HZ LYS 50 1HZ LYS 50 13.947 2.863 13.331 372 2HZ LYS 50 2HZ LYS 50 13.434 4.423 13.193 373 3HZ LYS 50 3HZ LYS 50 12.373 3.244 13.642 374 HA PRO 51 HA PRO 51 11.254 -4.130 6.709 375 1HB PRO 51 1HB PRO 51 13.695 -5.327 6.558 376 2HB PRO 51 2HB PRO 51 13.187 -4.058 5.404 377 1HG PRO 51 1HG PRO 51 14.861 -3.696 7.904 378 2HG PRO 51 2HG PRO 51 15.246 -3.153 6.240 379 1HD PRO 51 1HD PRO 51 14.087 -1.494 8.059 380 2HD PRO 51 2HD PRO 51 13.634 -1.435 6.327 381 H GLY 52 H GLY 52 11.572 -6.382 7.613 382 1HA GLY 52 1HA GLY 52 12.242 -7.778 9.462 383 2HA GLY 52 2HA GLY 52 12.072 -6.420 10.573 384 H THR 53 H THR 53 9.525 -5.494 9.249 385 HA THR 53 HA THR 53 7.704 -6.931 10.883 386 HB THR 53 1HB THR 53 7.454 -4.563 10.303 387 HG1 THR 53 HG1 THR 53 5.655 -5.835 10.901 388 1HG2 THR 53 1HG2 THR 53 8.136 -4.649 7.885 389 2HG2 THR 53 2HG2 THR 53 6.613 -5.493 7.518 390 H THR 54 H THR 54 6.034 -8.346 10.374 391 HA THR 54 HA THR 54 6.416 -10.166 8.140 392 HB THR 54 HB THR 54 4.275 -9.918 10.289 393 HG1 THR 54 HG1 THR 54 6.543 -11.594 10.026 394 1HG2 THR 54 1HG2 THR 54 4.855 -12.182 8.334 395 2HG2 THR 54 2HG2 THR 54 3.810 -12.326 9.762 396 H LEU 55 H LEU 55 4.840 -10.552 6.464 397 HA LEU 55 HA LEU 55 2.821 -8.481 5.967 398 1HB LEU 55 1HB LEU 55 5.282 -7.932 5.035 399 2HB LEU 55 2HB LEU 55 4.796 -9.022 3.756 400 HG LEU 55 HG LEU 55 4.358 -6.815 3.036 401 1HD1 LEU 55 1HD1 LEU 55 2.499 -8.413 2.552 402 2HD1 LEU 55 2HD1 LEU 55 1.625 -7.774 3.968 403 3HD1 LEU 55 3HD1 LEU 55 1.990 -6.712 2.610 404 1HD2 LEU 55 1HD2 LEU 55 4.463 -5.695 5.233 405 2HD2 LEU 55 2HD2 LEU 55 3.093 -5.136 4.258 406 3HD2 LEU 55 3HD2 LEU 55 2.818 -6.253 5.604 407 H THR 56 H THR 56 1.075 -9.463 5.332 408 HA THR 56 HA THR 56 0.879 -11.464 3.299 409 HB THR 56 1HB THR 56 1.596 -13.017 4.970 410 HG1 THR 56 HG1 THR 56 -0.196 -13.644 3.768 411 1HG2 THR 56 1HG2 THR 56 0.447 -13.297 7.152 412 2HG2 THR 56 2HG2 THR 56 1.255 -11.728 7.047 413 H LYS 57 H LYS 57 -1.589 -12.219 3.321 414 HA LYS 57 HA LYS 57 -3.104 -9.922 2.894 415 1HB LYS 57 1HB LYS 57 -3.520 -12.161 1.907 416 2HB LYS 57 2HB LYS 57 -4.128 -12.722 3.476 417 1HG LYS 57 1HG LYS 57 -5.914 -10.956 3.369 418 2HG LYS 57 2HG LYS 57 -5.249 -10.399 1.833 419 1HD LYS 57 1HD LYS 57 -7.218 -11.764 1.461 420 2HD LYS 57 2HD LYS 57 -5.786 -12.544 0.772 421 1HE LYS 57 1HE LYS 57 -7.290 -14.146 1.873 422 2HE LYS 57 2HE LYS 57 -5.719 -14.121 2.680 423 1HZ LYS 57 1HZ LYS 57 -8.134 -12.711 3.586 424 2HZ LYS 57 2HZ LYS 57 -7.538 -14.109 4.225 425 3HZ LYS 57 3HZ LYS 57 -6.677 -12.711 4.356 426 H GLU 58 H GLU 58 -3.310 -12.188 5.721 427 HA GLU 58 HA GLU 58 -5.303 -10.670 7.050 428 1HB GLU 58 1HB GLU 58 -4.941 -12.096 8.953 429 2HB GLU 58 2HB GLU 58 -5.031 -12.982 7.440 430 1HG GLU 58 1HG GLU 58 -3.356 -14.061 8.641 431 2HG GLU 58 2HG GLU 58 -2.498 -13.129 7.416 432 H LYS 59 H LYS 59 -1.842 -10.152 6.915 433 HA LYS 59 HA LYS 59 -1.777 -8.275 9.136 434 1HB LYS 59 1HB LYS 59 0.138 -9.412 7.230 435 2HB LYS 59 2HB LYS 59 0.307 -7.661 7.330 436 1HG LYS 59 1HG LYS 59 1.768 -8.655 8.941 437 2HG LYS 59 2HG LYS 59 0.473 -7.808 9.794 438 1HD LYS 59 1HD LYS 59 -0.707 -10.040 10.058 439 2HD LYS 59 2HD LYS 59 0.699 -10.810 9.291 440 1HE LYS 59 1HE LYS 59 2.133 -9.941 11.131 441 2HE LYS 59 2HE LYS 59 0.705 -9.208 11.884 442 1HZ LYS 59 1HZ LYS 59 -0.233 -11.389 12.081 443 2HZ LYS 59 2HZ LYS 59 1.097 -12.071 11.384 444 3HZ LYS 59 3HZ LYS 59 1.227 -11.316 12.845 445 H ILE 60 H ILE 60 -1.931 -8.012 5.571 446 HA ILE 60 HA ILE 60 -1.871 -5.211 5.538 447 HB ILE 60 HB ILE 60 -1.592 -7.217 3.697 448 1HG1 ILE 60 1HG1 ILE 60 -0.405 -5.139 3.668 449 2HG1 ILE 60 2HG1 ILE 60 -1.070 -5.575 2.052 450 1HG2 ILE 60 1HG2 ILE 60 -3.981 -7.469 3.250 451 2HG2 ILE 60 2HG2 ILE 60 -4.102 -5.765 2.786 452 3HG2 ILE 60 3HG2 ILE 60 -3.098 -6.878 1.842 453 1HD1 ILE 60 1HD1 ILE 60 -2.878 -3.904 2.367 454 2HD1 ILE 60 2HD1 ILE 60 -2.223 -3.478 3.968 455 3HD1 ILE 60 3HD1 ILE 60 -1.281 -3.163 2.514 456 H GLU 61 H GLU 61 -4.619 -7.429 5.793 457 HA GLU 61 HA GLU 61 -6.732 -5.767 5.039 458 1HB GLU 61 1HB GLU 61 -6.477 -8.071 6.991 459 2HB GLU 61 2HB GLU 61 -8.011 -7.203 6.806 460 1HG GLU 61 1HG GLU 61 -8.101 -7.666 4.435 461 2HG GLU 61 2HG GLU 61 -6.527 -8.456 4.466 462 H TYR 62 H TYR 62 -5.434 -6.199 8.416 463 HA TYR 62 HA TYR 62 -7.135 -4.132 9.436 464 1HB TYR 62 1HB TYR 62 -5.893 -4.285 11.466 465 2HB TYR 62 2HB TYR 62 -6.348 -5.866 10.861 466 HD1 TYR 62 HD1 TYR 62 -3.431 -3.461 10.951 467 HD2 TYR 62 HD2 TYR 62 -4.742 -7.571 10.937 468 HE1 TYR 62 HE1 TYR 62 -1.146 -4.188 11.511 469 HE2 TYR 62 HE2 TYR 62 -2.470 -8.287 11.599 470 HH TYR 62 HH TYR 62 0.207 -5.951 12.093 471 H TYR 63 H TYR 63 -3.937 -4.068 7.919 472 HA TYR 63 HA TYR 63 -3.081 -1.578 8.910 473 1HB TYR 63 1HB TYR 63 -1.904 -3.506 7.545 474 2HB TYR 63 2HB TYR 63 -2.298 -2.514 6.152 475 HD1 TYR 63 HD1 TYR 63 -1.785 0.278 7.305 476 HD2 TYR 63 HD2 TYR 63 0.421 -3.421 7.648 477 HE1 TYR 63 HE1 TYR 63 0.256 1.539 7.796 478 HE2 TYR 63 HE2 TYR 63 2.487 -2.130 8.069 479 HH TYR 63 HH TYR 63 2.511 1.456 8.212 480 H VAL 64 H VAL 64 -4.747 -2.373 5.781 481 HA VAL 64 HA VAL 64 -4.996 0.327 4.947 482 HB VAL 64 HB VAL 64 -6.666 -0.440 3.354 483 1HG1 VAL 64 1HG1 VAL 64 -4.197 -2.196 3.606 484 2HG1 VAL 64 2HG1 VAL 64 -5.193 -2.074 2.150 485 3HG1 VAL 64 3HG1 VAL 64 -4.338 -0.647 2.751 486 1HG2 VAL 64 1HG2 VAL 64 -7.851 -2.171 4.687 487 2HG2 VAL 64 2HG2 VAL 64 -7.304 -2.765 3.118 488 3HG2 VAL 64 3HG2 VAL 64 -6.407 -3.205 4.574 489 H GLU 65 H GLU 65 -7.146 -1.684 6.984 490 HA GLU 65 HA GLU 65 -9.336 0.113 7.104 491 1HB GLU 65 1HB GLU 65 -8.310 -1.993 9.026 492 2HB GLU 65 2HB GLU 65 -9.789 -1.061 9.307 493 1HG GLU 65 1HG GLU 65 -10.781 -1.850 7.236 494 2HG GLU 65 2HG GLU 65 -9.305 -2.704 6.786 495 H TRP 66 H TRP 66 -6.258 0.070 8.936 496 HA TRP 66 HA TRP 66 -7.050 2.137 10.802 497 1HB TRP 66 1HB TRP 66 -4.280 1.284 9.941 498 2HB TRP 66 2HB TRP 66 -4.701 2.243 11.352 499 HD1 TRP 66 HD1 TRP 66 -2.966 -0.217 11.676 500 HE1 TRP 66 HE1 TRP 66 -3.651 -2.210 13.091 501 HE3 TRP 66 HE3 TRP 66 -8.098 0.402 11.594 502 HZ2 TRP 66 HZ2 TRP 66 -6.082 -3.404 14.075 503 HZ3 TRP 66 HZ3 TRP 66 -9.532 -1.213 12.737 504 HH2 TRP 66 HH2 TRP 66 -8.555 -3.118 13.992 505 H ALA 67 H ALA 67 -5.138 2.165 7.742 506 HA ALA 67 HA ALA 67 -4.588 4.945 7.757 507 1HB ALA 67 1HB ALA 67 -3.379 3.314 6.374 508 2HB ALA 67 2HB ALA 67 -4.845 3.026 5.410 509 3HB ALA 67 3HB ALA 67 -4.061 4.623 5.386 510 H LEU 68 H LEU 68 -7.255 3.073 6.286 511 HA LEU 68 HA LEU 68 -8.700 5.127 5.022 512 1HB LEU 68 1HB LEU 68 -9.431 2.493 6.342 513 2HB LEU 68 2HB LEU 68 -10.684 3.500 5.656 514 HG LEU 68 HG LEU 68 -8.312 2.546 4.005 515 1HD1 LEU 68 1HD1 LEU 68 -11.078 1.302 4.383 516 2HD1 LEU 68 2HD1 LEU 68 -9.914 0.819 3.138 517 3HD1 LEU 68 3HD1 LEU 68 -9.528 0.573 4.843 518 1HD2 LEU 68 1HD2 LEU 68 -9.596 4.481 3.071 519 2HD2 LEU 68 2HD2 LEU 68 -9.788 3.020 2.104 520 3HD2 LEU 68 3HD2 LEU 68 -11.086 3.522 3.197 521 H ASP 69 H ASP 69 -9.190 3.745 8.312 522 HA ASP 69 HA ASP 69 -11.238 5.500 9.074 523 1HB ASP 69 1HB ASP 69 -10.812 3.362 10.167 524 2HB ASP 69 2HB ASP 69 -9.256 3.936 10.775 525 H ALA 70 H ALA 70 -7.795 5.583 10.110 526 HA ALA 70 HA ALA 70 -7.743 7.570 11.882 527 1HB ALA 70 1HB ALA 70 -5.669 7.084 9.707 528 2HB ALA 70 2HB ALA 70 -5.388 7.981 11.215 529 3HB ALA 70 3HB ALA 70 -5.788 6.256 11.278 530 H THR 71 H THR 71 -7.477 8.207 8.346 531 HA THR 71 HA THR 71 -7.401 11.079 8.687 532 HB THR 71 HB THR 71 -7.937 9.389 6.218 533 HG1 THR 71 HG1 THR 71 -5.708 9.701 5.886 534 1HG2 THR 71 1HG2 THR 71 -7.003 12.281 6.552 535 2HG2 THR 71 2HG2 THR 71 -7.064 11.387 5.022 536 H ALA 72 H ALA 72 -9.825 8.889 7.159 537 HA ALA 72 HA ALA 72 -11.990 10.876 7.718 538 1HB ALA 72 1HB ALA 72 -11.643 8.851 5.481 539 2HB ALA 72 2HB ALA 72 -13.053 9.908 5.723 540 3HB ALA 72 3HB ALA 72 -11.467 10.611 5.363 541 H TYR 73 H TYR 73 -12.706 10.165 9.686 542 HA TYR 73 HA TYR 73 -13.623 7.335 9.971 543 1HB TYR 73 1HB TYR 73 -13.468 7.781 12.412 544 2HB TYR 73 2HB TYR 73 -11.948 7.710 11.566 545 HD1 TYR 73 HD1 TYR 73 -10.710 9.876 10.965 546 HD2 TYR 73 HD2 TYR 73 -13.960 9.688 13.794 547 HE1 TYR 73 HE1 TYR 73 -9.974 12.017 11.949 548 HE2 TYR 73 HE2 TYR 73 -13.223 11.835 14.774 549 HH TYR 73 HH TYR 73 -11.689 13.548 14.701 550 H LYS 74 H LYS 74 -15.470 8.189 8.608 551 HA LYS 74 HA LYS 74 -17.631 9.106 10.429 552 1HB LYS 74 1HB LYS 74 -17.004 10.370 7.730 553 2HB LYS 74 2HB LYS 74 -18.486 10.622 8.681 554 1HG LYS 74 1HG LYS 74 -17.087 11.488 10.563 555 2HG LYS 74 2HG LYS 74 -15.660 11.386 9.505 556 1HD LYS 74 1HD LYS 74 -16.740 12.916 7.890 557 2HD LYS 74 2HD LYS 74 -18.173 13.016 8.938 558 1HE LYS 74 1HE LYS 74 -16.768 13.954 10.763 559 2HE LYS 74 2HE LYS 74 -15.347 13.880 9.700 560 1HZ LYS 74 1HZ LYS 74 -17.777 15.450 9.212 561 2HZ LYS 74 2HZ LYS 74 -16.328 16.042 9.732 562 3HZ LYS 74 3HZ LYS 74 -16.458 15.387 8.224 563 H GLU 75 H GLU 75 -18.488 9.050 7.135 564 HA GLU 75 HA GLU 75 -20.126 6.678 7.659 565 1HB GLU 75 1HB GLU 75 -21.232 7.345 5.525 566 2HB GLU 75 2HB GLU 75 -21.416 8.425 6.894 567 1HG GLU 75 1HG GLU 75 -19.384 8.930 4.668 568 2HG GLU 75 2HG GLU 75 -21.063 9.449 4.582 569 H PHE 76 H PHE 76 -18.463 5.077 7.594 570 HA PHE 76 HA PHE 76 -18.164 4.017 4.893 571 1HB PHE 76 1HB PHE 76 -15.860 3.882 4.776 572 2HB PHE 76 2HB PHE 76 -16.101 5.511 5.372 573 HD1 PHE 76 HD1 PHE 76 -15.873 5.874 7.966 574 HD2 PHE 76 HD2 PHE 76 -14.576 2.283 5.959 575 HE1 PHE 76 HE1 PHE 76 -14.571 5.212 9.969 576 HE2 PHE 76 HE2 PHE 76 -13.214 1.673 7.933 577 HZ PHE 76 1HZ PHE 76 -13.235 3.117 9.951 578 H ARG 77 H ARG 77 -17.349 1.864 4.867 579 HA ARG 77 HA ARG 77 -16.750 0.264 7.101 580 1HB ARG 77 1HB ARG 77 -19.033 0.255 7.810 581 2HB ARG 77 2HB ARG 77 -19.620 0.246 6.142 582 1HG ARG 77 1HG ARG 77 -20.062 -1.879 7.170 583 2HG ARG 77 2HG ARG 77 -18.924 -2.079 5.846 584 1HD ARG 77 1HD ARG 77 -17.099 -1.908 7.778 585 2HD ARG 77 2HD ARG 77 -18.454 -2.350 8.819 586 HE ARG 77 HE ARG 77 -16.951 -4.007 7.013 587 1HH1 ARG 77 1HH1 ARG 77 -20.263 -3.659 8.282 588 2HH1 ARG 77 2HH1 ARG 77 -20.707 -5.293 7.852 589 1HH2 ARG 77 1HH2 ARG 77 -17.568 -6.115 6.471 590 2HH2 ARG 77 2HH2 ARG 77 -19.179 -6.689 6.840 591 H VAL 78 H VAL 78 -15.457 -1.262 6.167 592 HA VAL 78 HA VAL 78 -15.457 -1.656 3.284 593 HB VAL 78 HB VAL 78 -13.862 -3.035 5.479 594 1HG1 VAL 78 1HG1 VAL 78 -13.462 -2.909 2.451 595 2HG1 VAL 78 2HG1 VAL 78 -12.324 -3.616 3.614 596 3HG1 VAL 78 3HG1 VAL 78 -13.910 -4.358 3.376 597 1HG2 VAL 78 1HG2 VAL 78 -13.163 -0.676 3.672 598 2HG2 VAL 78 2HG2 VAL 78 -13.402 -0.609 5.432 599 3HG2 VAL 78 3HG2 VAL 78 -12.039 -1.513 4.762 600 H VAL 79 H VAL 79 -17.475 -2.534 2.776 601 HA VAL 79 HA VAL 79 -18.740 -4.640 4.155 602 HB VAL 79 HB VAL 79 -19.909 -3.116 2.713 603 1HG1 VAL 79 1HG1 VAL 79 -18.276 -2.834 0.877 604 2HG1 VAL 79 2HG1 VAL 79 -18.661 -4.470 0.300 605 3HG1 VAL 79 3HG1 VAL 79 -19.904 -3.213 0.303 606 1HG2 VAL 79 1HG2 VAL 79 -20.875 -5.352 3.195 607 2HG2 VAL 79 2HG2 VAL 79 -21.419 -4.690 1.643 608 3HG2 VAL 79 3HG2 VAL 79 -20.185 -5.964 1.675 609 H GLU 80 H GLU 80 -16.548 -4.707 1.321 610 HA GLU 80 HA GLU 80 -15.554 -7.279 2.212 611 1HB GLU 80 1HB GLU 80 -15.829 -8.473 0.121 612 2HB GLU 80 2HB GLU 80 -17.411 -8.019 0.756 613 1HG GLU 80 1HG GLU 80 -17.534 -6.141 -0.842 614 2HG GLU 80 2HG GLU 80 -15.918 -6.532 -1.456 615 H LEU 81 H LEU 81 -13.672 -7.957 0.802 616 HA LEU 81 HA LEU 81 -12.287 -5.737 -0.540 617 1HB LEU 81 1HB LEU 81 -10.281 -5.972 0.855 618 2HB LEU 81 2HB LEU 81 -11.685 -5.414 1.753 619 HG LEU 81 HG LEU 81 -11.908 -8.064 2.305 620 1HD1 LEU 81 1HD1 LEU 81 -8.905 -7.609 1.968 621 2HD1 LEU 81 2HD1 LEU 81 -9.678 -9.025 2.705 622 3HD1 LEU 81 3HD1 LEU 81 -9.879 -8.710 0.981 623 1HD2 LEU 81 1HD2 LEU 81 -10.031 -6.110 3.694 624 2HD2 LEU 81 2HD2 LEU 81 -11.787 -6.243 3.943 625 3HD2 LEU 81 3HD2 LEU 81 -10.730 -7.580 4.411 626 H ASP 82 H ASP 82 -10.603 -6.392 -1.908 627 HA ASP 82 HA ASP 82 -11.058 -9.017 -3.028 628 1HB ASP 82 1HB ASP 82 -9.111 -6.814 -3.803 629 2HB ASP 82 2HB ASP 82 -9.342 -8.320 -4.684 630 HA PRO 83 HA PRO 83 -7.763 -10.872 -0.620 631 1HB PRO 83 1HB PRO 83 -7.444 -13.262 -1.887 632 2HB PRO 83 2HB PRO 83 -8.925 -12.852 -0.976 633 1HG PRO 83 1HG PRO 83 -8.481 -12.587 -3.964 634 2HG PRO 83 2HG PRO 83 -9.839 -13.399 -3.130 635 1HD PRO 83 1HD PRO 83 -10.030 -10.838 -4.022 636 2HD PRO 83 2HD PRO 83 -10.785 -11.325 -2.472 637 H SER 84 H SER 84 -7.481 -10.273 -4.087 638 HA SER 84 HA SER 84 -4.624 -10.880 -4.223 639 1HB SER 84 1HB SER 84 -6.579 -9.741 -6.258 640 2HB SER 84 2HB SER 84 -4.906 -10.251 -6.586 641 HG SER 84 HG SER 84 -5.509 -12.340 -5.861 642 H ALA 85 H ALA 85 -4.292 -9.246 -2.383 643 HA ALA 85 HA ALA 85 -4.057 -6.444 -3.134 644 1HB ALA 85 1HB ALA 85 -4.283 -7.148 -0.777 645 2HB ALA 85 2HB ALA 85 -2.766 -8.059 -0.896 646 3HB ALA 85 3HB ALA 85 -2.747 -6.295 -1.035 647 H LYS 86 H LYS 86 -1.850 -5.389 -3.192 648 HA LYS 86 HA LYS 86 0.279 -7.063 -4.335 649 1HB LYS 86 1HB LYS 86 0.382 -5.584 -6.366 650 2HB LYS 86 2HB LYS 86 -0.904 -6.797 -6.307 651 1HG LYS 86 1HG LYS 86 -2.599 -5.180 -5.877 652 2HG LYS 86 2HG LYS 86 -1.418 -3.935 -5.447 653 1HD LYS 86 1HD LYS 86 -2.341 -3.473 -7.640 654 2HD LYS 86 2HD LYS 86 -0.608 -3.816 -7.739 655 1HE LYS 86 1HE LYS 86 -1.078 -6.098 -8.545 656 2HE LYS 86 2HE LYS 86 -2.822 -5.798 -8.392 657 1HZ LYS 86 1HZ LYS 86 -0.965 -4.332 -10.130 658 2HZ LYS 86 2HZ LYS 86 -2.025 -5.494 -10.623 659 3HZ LYS 86 3HZ LYS 86 -2.587 -4.068 -10.016 660 H ILE 87 H ILE 87 2.104 -6.488 -3.523 661 HA ILE 87 HA ILE 87 2.750 -3.768 -2.606 662 HB ILE 87 HB ILE 87 4.316 -6.379 -2.855 663 1HG1 ILE 87 1HG1 ILE 87 4.610 -6.051 -0.385 664 2HG1 ILE 87 2HG1 ILE 87 3.418 -4.712 -0.485 665 1HG2 ILE 87 1HG2 ILE 87 5.277 -3.605 -2.079 666 2HG2 ILE 87 2HG2 ILE 87 6.172 -5.098 -1.711 667 3HG2 ILE 87 3HG2 ILE 87 5.901 -4.636 -3.382 668 1HD1 ILE 87 1HD1 ILE 87 2.869 -7.607 -1.265 669 2HD1 ILE 87 2HD1 ILE 87 2.540 -6.932 0.334 670 3HD1 ILE 87 3HD1 ILE 87 1.664 -6.312 -1.065 671 H GLU 88 H GLU 88 3.094 -2.271 -4.170 672 HA GLU 88 HA GLU 88 4.512 -3.053 -6.696 673 1HB GLU 88 1HB GLU 88 2.631 -0.721 -6.197 674 2HB GLU 88 2HB GLU 88 3.525 -1.073 -7.685 675 1HG GLU 88 1HG GLU 88 2.333 -3.327 -7.736 676 2HG GLU 88 2HG GLU 88 1.313 -2.731 -6.419 677 H VAL 89 H VAL 89 6.265 -3.063 -4.903 678 HA VAL 89 HA VAL 89 7.031 -0.612 -3.752 679 HB VAL 89 HB VAL 89 7.551 -2.691 -2.722 680 1HG1 VAL 89 1HG1 VAL 89 8.053 -4.101 -4.712 681 2HG1 VAL 89 2HG1 VAL 89 9.608 -3.264 -4.889 682 3HG1 VAL 89 3HG1 VAL 89 9.273 -4.215 -3.439 683 1HG2 VAL 89 1HG2 VAL 89 8.906 -0.745 -2.166 684 2HG2 VAL 89 2HG2 VAL 89 9.858 -2.232 -2.049 685 3HG2 VAL 89 3HG2 VAL 89 10.074 -1.150 -3.437 686 H THR 90 H THR 90 7.697 1.114 -4.713 687 HA THR 90 HA THR 90 9.129 1.024 -7.304 688 HB THR 90 1HB THR 90 7.728 3.302 -5.845 689 HG1 THR 90 HG1 THR 90 6.325 1.657 -6.551 690 1HG2 THR 90 1HG2 THR 90 7.825 4.395 -8.081 691 2HG2 THR 90 2HG2 THR 90 9.450 4.113 -7.439 692 H TYR 91 H TYR 91 11.092 0.305 -6.336 693 HA TYR 91 HA TYR 91 12.553 2.140 -4.550 694 1HB TYR 91 1HB TYR 91 14.280 0.390 -4.619 695 2HB TYR 91 2HB TYR 91 12.724 -0.177 -4.072 696 HD1 TYR 91 HD1 TYR 91 15.164 -0.373 -6.877 697 HD2 TYR 91 HD2 TYR 91 11.481 -1.870 -5.213 698 HE1 TYR 91 HE1 TYR 91 15.285 -2.326 -8.367 699 HE2 TYR 91 HE2 TYR 91 11.639 -3.866 -6.667 700 HH TYR 91 HH TYR 91 14.335 -4.331 -8.988 701 H TYR 92 H TYR 92 13.463 3.897 -5.453 702 HA TYR 92 HA TYR 92 14.205 3.876 -8.332 703 1HB TYR 92 1HB TYR 92 13.951 6.242 -8.283 704 2HB TYR 92 2HB TYR 92 12.495 5.438 -7.720 705 HD1 TYR 92 HD1 TYR 92 11.863 5.486 -5.286 706 HD2 TYR 92 HD2 TYR 92 15.124 7.821 -6.875 707 HE1 TYR 92 HE1 TYR 92 11.839 6.904 -3.256 708 HE2 TYR 92 HE2 TYR 92 15.071 9.258 -4.860 709 HH TYR 92 HH TYR 92 12.802 8.673 -2.151 710 H ASP 93 H ASP 93 16.273 3.669 -8.821 711 HA ASP 93 HA ASP 93 18.390 4.567 -6.901 712 1HB ASP 93 1HB ASP 93 17.944 2.070 -6.942 713 2HB ASP 93 2HB ASP 93 18.355 2.067 -8.634 714 H LYS 94 H LYS 94 18.714 6.544 -8.109 715 HA LYS 94 HA LYS 94 19.508 6.315 -10.923 716 1HB LYS 94 1HB LYS 94 18.202 8.251 -10.049 717 2HB LYS 94 2HB LYS 94 19.584 8.696 -9.045 718 1HG LYS 94 1HG LYS 94 19.505 10.079 -11.003 719 2HG LYS 94 2HG LYS 94 20.949 9.073 -11.105 720 1HD LYS 94 1HD LYS 94 19.803 7.559 -12.695 721 2HD LYS 94 2HD LYS 94 18.319 8.520 -12.559 722 1HE LYS 94 1HE LYS 94 21.012 9.530 -13.592 723 2HE LYS 94 2HE LYS 94 19.661 8.995 -14.608 724 1HZ LYS 94 1HZ LYS 94 18.334 10.737 -13.653 725 2HZ LYS 94 2HZ LYS 94 19.613 11.260 -12.753 726 3HZ LYS 94 3HZ LYS 94 19.677 11.340 -14.397 727 H ASN 95 H ASN 95 21.112 4.633 -10.174 728 HA ASN 95 HA ASN 95 23.784 5.827 -9.901 729 1HB ASN 95 1HB ASN 95 22.826 3.646 -8.001 730 2HB ASN 95 2HB ASN 95 24.446 4.338 -8.098 731 1HD2 ASN 95 1HD2 ASN 95 21.489 6.231 -5.986 732 2HD2 ASN 95 2HD2 ASN 95 21.160 4.799 -6.935 733 H LYS 96 H LYS 96 21.929 2.716 -9.986 734 HA LYS 96 HA LYS 96 23.222 1.972 -12.482 735 1HB LYS 96 1HB LYS 96 24.050 -0.211 -11.600 736 2HB LYS 96 2HB LYS 96 25.003 1.200 -11.173 737 1HG LYS 96 1HG LYS 96 22.971 0.472 -9.117 738 2HG LYS 96 2HG LYS 96 24.177 -0.774 -9.433 739 1HD LYS 96 1HD LYS 96 26.001 0.776 -9.017 740 2HD LYS 96 2HD LYS 96 24.873 2.121 -8.790 741 1HE LYS 96 1HE LYS 96 24.931 -0.391 -7.060 742 2HE LYS 96 2HE LYS 96 25.751 1.130 -6.661 743 1HZ LYS 96 1HZ LYS 96 23.644 2.222 -6.660 744 2HZ LYS 96 2HZ LYS 96 22.859 0.823 -7.037 745 3HZ LYS 96 3HZ LYS 96 23.638 0.966 -5.594 746 H LYS 97 H LYS 97 21.132 0.814 -9.780 747 HA LYS 97 HA LYS 97 20.035 -1.302 -11.333 748 1HB LYS 97 1HB LYS 97 20.238 -1.446 -8.932 749 2HB LYS 97 2HB LYS 97 19.197 -0.044 -8.703 750 1HG LYS 97 1HG LYS 97 17.994 -2.067 -8.192 751 2HG LYS 97 2HG LYS 97 17.263 -1.281 -9.593 752 1HD LYS 97 1HD LYS 97 18.436 -2.909 -11.094 753 2HD LYS 97 2HD LYS 97 19.173 -3.667 -9.669 754 1HE LYS 97 1HE LYS 97 16.878 -4.195 -8.818 755 2HE LYS 97 2HE LYS 97 16.192 -3.444 -10.267 756 1HZ LYS 97 1HZ LYS 97 17.323 -5.078 -11.578 757 2HZ LYS 97 2HZ LYS 97 17.964 -5.778 -10.228 758 3HZ LYS 97 3HZ LYS 97 16.333 -5.802 -10.475 759 H LYS 98 H LYS 98 18.978 2.039 -10.745 760 HA LYS 98 HA LYS 98 17.444 3.335 -11.728 761 1HB LYS 98 1HB LYS 98 18.103 1.702 -13.788 762 2HB LYS 98 2HB LYS 98 16.379 1.318 -13.647 763 1HG LYS 98 1HG LYS 98 16.017 3.899 -13.703 764 2HG LYS 98 2HG LYS 98 17.719 4.011 -14.152 765 1HD LYS 98 1HD LYS 98 15.541 2.488 -15.660 766 2HD LYS 98 2HD LYS 98 16.193 4.077 -16.094 767 1HE LYS 98 1HE LYS 98 18.454 3.048 -16.390 768 2HE LYS 98 2HE LYS 98 17.745 1.450 -16.066 769 1HZ LYS 98 1HZ LYS 98 16.322 1.763 -17.940 770 2HZ LYS 98 2HZ LYS 98 16.983 3.241 -18.252 771 3HZ LYS 98 3HZ LYS 98 17.906 1.880 -18.384 772 H GLU 99 H GLU 99 14.907 3.384 -12.257 773 HA GLU 99 HA GLU 99 13.646 2.342 -9.883 774 1HB GLU 99 1HB GLU 99 13.212 4.614 -10.713 775 2HB GLU 99 2HB GLU 99 12.473 3.940 -12.180 776 1HG GLU 99 1HG GLU 99 10.730 2.833 -10.809 777 2HG GLU 99 2HG GLU 99 11.526 3.388 -9.326 778 H GLU 100 H GLU 100 12.361 0.628 -9.666 779 HA GLU 100 HA GLU 100 11.025 -0.590 -12.008 780 1HB GLU 100 1HB GLU 100 12.734 -2.125 -10.013 781 2HB GLU 100 2HB GLU 100 11.584 -2.847 -11.154 782 1HG GLU 100 1HG GLU 100 12.886 -1.855 -13.045 783 2HG GLU 100 2HG GLU 100 14.069 -1.232 -11.878 784 H THR 101 H THR 101 8.959 -0.352 -11.483 785 HA THR 101 HA THR 101 7.954 -0.467 -8.724 786 HB THR 101 1HB THR 101 6.540 -0.208 -11.412 787 HG1 THR 101 HG1 THR 101 7.878 1.545 -10.855 788 1HG2 THR 101 1HG2 THR 101 4.642 0.611 -10.015 789 2HG2 THR 101 2HG2 THR 101 4.995 -1.091 -9.695 790 H LYS 102 H LYS 102 8.685 -2.567 -8.158 791 HA LYS 102 HA LYS 102 8.111 -4.855 -9.802 792 1HB LYS 102 1HB LYS 102 10.136 -4.620 -8.412 793 2HB LYS 102 2HB LYS 102 9.151 -4.612 -6.954 794 1HG LYS 102 1HG LYS 102 10.168 -6.799 -7.302 795 2HG LYS 102 2HG LYS 102 8.412 -6.909 -7.369 796 1HD LYS 102 1HD LYS 102 9.531 -8.300 -9.077 797 2HD LYS 102 2HD LYS 102 8.434 -7.121 -9.788 798 1HE LYS 102 1HE LYS 102 10.536 -7.329 -11.063 799 2HE LYS 102 2HE LYS 102 10.343 -5.690 -10.439 800 1HZ LYS 102 1HZ LYS 102 12.005 -7.796 -9.246 801 2HZ LYS 102 2HZ LYS 102 12.552 -6.517 -10.132 802 3HZ LYS 102 3HZ LYS 102 11.842 -6.261 -8.667 803 H SER 103 H SER 103 6.041 -5.482 -10.021 804 HA SER 103 HA SER 103 4.057 -5.027 -7.925 805 1HB SER 103 1HB SER 103 3.802 -6.095 -10.755 806 2HB SER 103 2HB SER 103 2.463 -5.652 -9.670 807 HG SER 103 HG SER 103 3.354 -3.536 -9.607 808 H PHE 104 H PHE 104 5.348 -6.635 -6.541 809 HA PHE 104 HA PHE 104 4.855 -9.453 -6.884 810 1HB PHE 104 1HB PHE 104 6.661 -8.581 -5.494 811 2HB PHE 104 2HB PHE 104 5.517 -7.719 -4.473 812 HD1 PHE 104 HD1 PHE 104 4.092 -8.930 -2.849 813 HD2 PHE 104 HD2 PHE 104 6.999 -11.001 -5.264 814 HE1 PHE 104 HE1 PHE 104 3.772 -10.976 -1.484 815 HE2 PHE 104 HE2 PHE 104 6.739 -13.016 -3.841 816 HZ PHE 104 1HZ PHE 104 5.117 -13.012 -1.960 817 HA PRO 105 HA PRO 105 0.548 -9.075 -5.614 818 1HB PRO 105 1HB PRO 105 -0.245 -11.648 -5.461 819 2HB PRO 105 2HB PRO 105 0.359 -10.938 -6.968 820 1HG PRO 105 1HG PRO 105 2.013 -12.529 -4.980 821 2HG PRO 105 2HG PRO 105 1.800 -12.850 -6.727 822 1HD PRO 105 1HD PRO 105 3.908 -11.409 -5.795 823 2HD PRO 105 2HD PRO 105 3.098 -10.967 -7.324 824 H ILE 106 H ILE 106 0.349 -11.833 -3.643 825 HA ILE 106 HA ILE 106 1.339 -10.724 -1.185 826 HB ILE 106 HB ILE 106 -0.759 -9.371 -1.603 827 1HG1 ILE 106 1HG1 ILE 106 -1.848 -9.711 0.576 828 2HG1 ILE 106 2HG1 ILE 106 -0.887 -11.214 0.795 829 1HG2 ILE 106 1HG2 ILE 106 -2.072 -11.118 -2.781 830 2HG2 ILE 106 2HG2 ILE 106 -2.232 -12.017 -1.253 831 3HG2 ILE 106 3HG2 ILE 106 -2.941 -10.411 -1.412 832 1HD1 ILE 106 1HD1 ILE 106 0.296 -8.417 0.378 833 2HD1 ILE 106 2HD1 ILE 106 -0.005 -9.131 1.971 834 3HD1 ILE 106 3HD1 ILE 106 1.167 -9.885 0.882 835 H THR 107 H THR 107 1.188 -12.258 0.540 836 HA THR 107 HA THR 107 0.690 -15.058 -0.370 837 HB THR 107 HB THR 107 2.212 -15.717 1.369 838 HG1 THR 107 HG1 THR 107 2.305 -12.973 2.061 839 1HG2 THR 107 1HG2 THR 107 3.215 -14.977 -0.770 840 2HG2 THR 107 2HG2 THR 107 3.425 -13.345 -0.102 841 H GLU 108 H GLU 108 0.147 -16.500 1.526 842 HA GLU 108 HA GLU 108 -1.846 -15.329 3.412 843 1HB GLU 108 1HB GLU 108 -2.785 -17.534 3.639 844 2HB GLU 108 2HB GLU 108 -2.905 -16.966 1.976 845 1HG GLU 108 1HG GLU 108 -0.736 -18.895 2.947 846 2HG GLU 108 2HG GLU 108 -2.296 -19.406 2.305 847 H LYS 109 H LYS 109 1.332 -16.534 3.045 848 HA LYS 109 HA LYS 109 1.573 -17.985 5.511 849 1HB LYS 109 1HB LYS 109 3.634 -16.923 3.537 850 2HB LYS 109 2HB LYS 109 3.980 -17.998 4.906 851 1HG LYS 109 1HG LYS 109 2.476 -19.712 3.935 852 2HG LYS 109 2HG LYS 109 2.103 -18.621 2.586 853 1HD LYS 109 1HD LYS 109 4.507 -18.595 1.940 854 2HD LYS 109 2HD LYS 109 4.865 -19.694 3.284 855 1HE LYS 109 1HE LYS 109 4.731 -20.975 1.240 856 2HE LYS 109 2HE LYS 109 3.345 -21.400 2.260 857 1HZ LYS 109 1HZ LYS 109 3.305 -19.521 0.000 858 2HZ LYS 109 2HZ LYS 109 2.737 -21.068 -0.027 859 3HZ LYS 109 3HZ LYS 109 2.006 -19.940 0.924 860 H GLY 110 H GLY 110 3.661 -15.214 4.588 861 1HA GLY 110 1HA GLY 110 3.319 -13.195 6.302 862 2HA GLY 110 2HA GLY 110 3.815 -14.455 7.435 863 H PHE 111 H PHE 111 4.822 -13.206 4.176 864 HA PHE 111 HA PHE 111 7.572 -13.936 4.648 865 1HB PHE 111 1HB PHE 111 8.093 -12.976 2.584 866 2HB PHE 111 2HB PHE 111 6.568 -13.824 2.393 867 HD1 PHE 111 HD1 PHE 111 4.474 -12.550 2.017 868 HD2 PHE 111 HD2 PHE 111 8.272 -10.552 2.322 869 HE1 PHE 111 HE1 PHE 111 3.491 -10.530 0.963 870 HE2 PHE 111 HE2 PHE 111 7.295 -8.536 1.260 871 HZ PHE 111 1HZ PHE 111 4.909 -8.527 0.558 872 H VAL 112 H VAL 112 9.140 -12.808 5.639 873 HA VAL 112 HA VAL 112 8.590 -10.298 6.971 874 HB VAL 112 HB VAL 112 11.092 -11.995 6.613 875 1HG1 VAL 112 1HG1 VAL 112 10.701 -9.397 8.141 876 2HG1 VAL 112 2HG1 VAL 112 12.042 -10.524 8.444 877 3HG1 VAL 112 3HG1 VAL 112 11.898 -9.729 6.873 878 1HG2 VAL 112 1HG2 VAL 112 9.310 -12.941 8.073 879 2HG2 VAL 112 2HG2 VAL 112 10.731 -12.466 9.014 880 3HG2 VAL 112 3HG2 VAL 112 9.286 -11.434 9.014 881 H VAL 113 H VAL 113 8.957 -8.278 6.217 882 HA VAL 113 HA VAL 113 9.556 -7.747 3.503 883 HB VAL 113 HB VAL 113 9.548 -5.951 5.957 884 1HG1 VAL 113 1HG1 VAL 113 9.667 -5.236 2.998 885 2HG1 VAL 113 2HG1 VAL 113 9.343 -4.083 4.308 886 3HG1 VAL 113 3HG1 VAL 113 10.917 -4.879 4.208 887 1HG2 VAL 113 1HG2 VAL 113 7.513 -6.414 3.724 888 2HG2 VAL 113 2HG2 VAL 113 7.355 -6.962 5.404 889 3HG2 VAL 113 3HG2 VAL 113 7.357 -5.233 5.039 890 HA PRO 114 HA PRO 114 13.956 -8.453 4.246 891 1HB PRO 114 1HB PRO 114 14.903 -8.408 1.701 892 2HB PRO 114 2HB PRO 114 13.770 -9.678 2.249 893 1HG PRO 114 1HG PRO 114 13.078 -7.108 0.789 894 2HG PRO 114 2HG PRO 114 12.620 -8.776 0.331 895 1HD PRO 114 1HD PRO 114 10.955 -7.170 1.767 896 2HD PRO 114 2HD PRO 114 11.058 -8.925 2.095 897 H ASP 115 H ASP 115 16.080 -7.372 3.673 898 HA ASP 115 HA ASP 115 15.870 -4.448 3.953 899 1HB ASP 115 1HB ASP 115 18.261 -6.327 4.011 900 2HB ASP 115 2HB ASP 115 18.286 -4.603 4.407 901 H LEU 116 H LEU 116 15.029 -5.581 1.419 902 HA LEU 116 HA LEU 116 15.443 -5.725 -0.782 903 1HB LEU 116 1HB LEU 116 15.418 -3.520 -1.780 904 2HB LEU 116 2HB LEU 116 14.253 -3.710 -0.483 905 HG LEU 116 HG LEU 116 16.919 -2.457 0.201 906 1HD1 LEU 116 1HD1 LEU 116 16.219 -1.363 -1.897 907 2HD1 LEU 116 2HD1 LEU 116 14.633 -1.012 -1.202 908 3HD1 LEU 116 3HD1 LEU 116 16.092 -0.261 -0.521 909 1HD2 LEU 116 1HD2 LEU 116 14.045 -1.894 1.068 910 2HD2 LEU 116 2HD2 LEU 116 15.212 -2.817 2.018 911 3HD2 LEU 116 3HD2 LEU 116 15.500 -1.104 1.714 912 H SER 117 H SER 117 17.532 -6.927 -0.043 913 HA SER 117 HA SER 117 19.615 -7.559 -0.469 914 1HB SER 117 1HB SER 117 18.739 -7.672 -2.727 915 2HB SER 117 2HB SER 117 19.204 -5.999 -3.049 916 HG SER 117 HG SER 117 20.949 -8.131 -2.361 917 H GLU 118 H GLU 118 20.663 -4.797 -2.302 918 HA GLU 118 HA GLU 118 21.888 -3.369 -0.083 919 1HB GLU 118 1HB GLU 118 23.263 -5.444 -0.199 920 2HB GLU 118 2HB GLU 118 23.608 -5.117 -1.905 921 1HG GLU 118 1HG GLU 118 24.777 -3.032 -1.279 922 2HG GLU 118 2HG GLU 118 24.321 -3.268 0.417 923 H HIS 119 H HIS 119 21.738 -4.089 -3.559 924 HA HIS 119 HA HIS 119 23.019 -1.879 -4.635 925 1HB HIS 119 1HB HIS 119 21.818 -2.415 -6.686 926 2HB HIS 119 2HB HIS 119 22.484 -3.839 -5.895 927 HD1 HIS 119 HD1 HIS 119 20.427 -4.552 -7.902 928 HD2 HIS 119 HD2 HIS 119 19.443 -3.534 -3.937 929 HE1 HIS 119 HE1 HIS 119 18.165 -5.621 -7.392 930 H ILE 120 H ILE 120 20.046 -1.754 -2.904 931 HA ILE 120 HA ILE 120 19.982 1.098 -3.307 932 HB ILE 120 HB ILE 120 18.590 0.803 -5.103 933 1HG1 ILE 120 1HG1 ILE 120 16.374 0.761 -3.057 934 2HG1 ILE 120 2HG1 ILE 120 17.579 2.049 -3.050 935 1HG2 ILE 120 1HG2 ILE 120 17.446 -1.634 -3.730 936 2HG2 ILE 120 2HG2 ILE 120 16.596 -0.842 -5.065 937 3HG2 ILE 120 3HG2 ILE 120 18.217 -1.483 -5.321 938 1HD1 ILE 120 1HD1 ILE 120 16.071 1.405 -5.591 939 2HD1 ILE 120 2HD1 ILE 120 15.468 2.543 -4.357 940 3HD1 ILE 120 3HD1 ILE 120 17.019 2.842 -5.144 941 H LYS 121 H LYS 121 18.953 2.169 -1.653 942 HA LYS 121 HA LYS 121 18.074 0.607 0.720 943 1HB LYS 121 1HB LYS 121 19.496 2.000 2.112 944 2HB LYS 121 2HB LYS 121 20.456 1.126 0.909 945 1HG LYS 121 1HG LYS 121 20.355 3.276 -0.526 946 2HG LYS 121 2HG LYS 121 19.742 4.089 0.914 947 1HD LYS 121 1HD LYS 121 22.426 2.662 0.621 948 2HD LYS 121 2HD LYS 121 22.130 4.401 0.589 949 1HE LYS 121 1HE LYS 121 22.899 4.085 2.744 950 2HE LYS 121 2HE LYS 121 21.144 4.110 2.981 951 1HZ LYS 121 1HZ LYS 121 22.856 1.723 2.773 952 2HZ LYS 121 2HZ LYS 121 22.234 2.341 4.167 953 3HZ LYS 121 3HZ LYS 121 21.230 1.700 3.031 954 H ASN 122 H ASN 122 16.412 1.995 -1.276 955 HA ASN 122 HA ASN 122 14.950 3.636 0.612 956 1HB ASN 122 1HB ASN 122 14.757 5.626 -0.679 957 2HB ASN 122 2HB ASN 122 16.433 5.332 -0.234 958 1HD2 ASN 122 1HD2 ASN 122 17.498 4.664 -3.655 959 2HD2 ASN 122 2HD2 ASN 122 17.762 4.106 -2.016 960 HA PRO 123 HA PRO 123 12.304 1.196 -2.294 961 1HB PRO 123 1HB PRO 123 10.738 -0.091 -0.507 962 2HB PRO 123 2HB PRO 123 12.403 -0.634 -0.837 963 1HG PRO 123 1HG PRO 123 11.469 1.185 1.403 964 2HG PRO 123 2HG PRO 123 12.456 -0.292 1.568 965 1HD PRO 123 1HD PRO 123 13.588 2.144 1.491 966 2HD PRO 123 2HD PRO 123 14.362 0.795 0.632 967 H GLY 124 H GLY 124 9.903 1.258 -2.569 968 1HA GLY 124 1HA GLY 124 8.502 3.509 -1.199 969 2HA GLY 124 2HA GLY 124 8.671 3.496 -2.964 970 H PHE 125 H PHE 125 7.725 1.326 -0.267 971 HA PHE 125 HA PHE 125 6.203 -0.546 -1.720 972 1HB PHE 125 1HB PHE 125 6.218 0.325 1.168 973 2HB PHE 125 2HB PHE 125 5.149 -0.939 0.569 974 HD1 PHE 125 HD1 PHE 125 8.717 -0.029 1.143 975 HD2 PHE 125 HD2 PHE 125 5.924 -3.148 0.120 976 HE1 PHE 125 HE1 PHE 125 10.505 -1.734 1.401 977 HE2 PHE 125 HE2 PHE 125 7.739 -4.829 0.294 978 HZ PHE 125 1HZ PHE 125 10.043 -4.112 0.887 979 H ASN 126 H ASN 126 4.634 0.140 -3.110 980 HA ASN 126 HA ASN 126 2.460 1.914 -2.109 981 1HB ASN 126 1HB ASN 126 3.221 1.021 -4.903 982 2HB ASN 126 2HB ASN 126 1.745 1.895 -4.502 983 1HD2 ASN 126 1HD2 ASN 126 5.198 3.940 -4.996 984 2HD2 ASN 126 2HD2 ASN 126 5.067 2.218 -5.280 985 H LEU 127 H LEU 127 1.233 0.567 -0.844 986 HA LEU 127 HA LEU 127 0.276 -2.036 -1.864 987 1HB LEU 127 1HB LEU 127 -0.065 -0.480 0.708 988 2HB LEU 127 2HB LEU 127 -1.056 -1.886 0.341 989 HG LEU 127 HG LEU 127 0.837 -2.366 1.820 990 1HD1 LEU 127 1HD1 LEU 127 -0.243 -4.097 0.352 991 2HD1 LEU 127 2HD1 LEU 127 1.075 -3.874 -0.810 992 3HD1 LEU 127 3HD1 LEU 127 1.422 -4.462 0.829 993 1HD2 LEU 127 1HD2 LEU 127 2.525 -0.842 0.785 994 2HD2 LEU 127 2HD2 LEU 127 3.108 -2.491 1.078 995 3HD2 LEU 127 3HD2 LEU 127 2.684 -1.992 -0.566 996 H ILE 128 H ILE 128 -0.577 -0.927 -3.798 997 HA ILE 128 HA ILE 128 -3.091 0.598 -3.458 998 HB ILE 128 HB ILE 128 -1.418 -0.168 -5.872 999 1HG1 ILE 128 1HG1 ILE 128 -1.983 2.554 -4.608 1000 2HG1 ILE 128 2HG1 ILE 128 -0.544 1.562 -4.284 1001 1HG2 ILE 128 1HG2 ILE 128 -3.969 1.500 -5.724 1002 2HG2 ILE 128 2HG2 ILE 128 -2.949 1.326 -7.165 1003 3HG2 ILE 128 3HG2 ILE 128 -3.813 -0.063 -6.535 1004 1HD1 ILE 128 1HD1 ILE 128 0.061 1.667 -6.698 1005 2HD1 ILE 128 2HD1 ILE 128 -1.300 2.785 -6.970 1006 3HD1 ILE 128 3HD1 ILE 128 0.028 3.253 -5.904 1007 H THR 129 H THR 129 -4.424 -0.949 -2.538 1008 HA THR 129 HA THR 129 -4.984 -3.439 -4.091 1009 HB THR 129 1HB THR 129 -5.285 -2.800 -1.133 1010 HG1 THR 129 HG1 THR 129 -3.189 -3.253 -1.878 1011 1HG2 THR 129 1HG2 THR 129 -6.069 -5.296 -2.690 1012 2HG2 THR 129 2HG2 THR 129 -5.873 -5.220 -0.924 1013 H LYS 130 H LYS 130 -7.121 -4.029 -4.426 1014 HA LYS 130 HA LYS 130 -9.044 -1.807 -4.685 1015 1HB LYS 130 1HB LYS 130 -8.612 -3.166 -6.636 1016 2HB LYS 130 2HB LYS 130 -8.880 -4.656 -5.726 1017 1HG LYS 130 1HG LYS 130 -10.768 -4.210 -7.147 1018 2HG LYS 130 2HG LYS 130 -11.259 -4.109 -5.454 1019 1HD LYS 130 1HD LYS 130 -11.259 -1.646 -5.565 1020 2HD LYS 130 2HD LYS 130 -10.607 -1.705 -7.214 1021 1HE LYS 130 1HE LYS 130 -13.016 -1.305 -7.255 1022 2HE LYS 130 2HE LYS 130 -12.649 -2.872 -7.989 1023 1HZ LYS 130 1HZ LYS 130 -13.591 -2.467 -5.237 1024 2HZ LYS 130 2HZ LYS 130 -14.517 -2.973 -6.503 1025 3HZ LYS 130 3HZ LYS 130 -13.290 -3.920 -5.950 1026 H VAL 131 H VAL 131 -10.760 -1.591 -3.312 1027 HA VAL 131 HA VAL 131 -11.831 -3.969 -1.930 1028 HB VAL 131 HB VAL 131 -12.014 -2.898 0.196 1029 1HG1 VAL 131 1HG1 VAL 131 -9.842 -4.022 -0.289 1030 2HG1 VAL 131 2HG1 VAL 131 -9.144 -2.445 -0.710 1031 3HG1 VAL 131 3HG1 VAL 131 -9.727 -2.748 0.935 1032 1HG2 VAL 131 1HG2 VAL 131 -10.723 -0.425 -1.027 1033 2HG2 VAL 131 2HG2 VAL 131 -12.399 -0.578 -0.457 1034 3HG2 VAL 131 3HG2 VAL 131 -11.079 -0.675 0.700 1035 H VAL 132 H VAL 132 -13.974 -3.446 -0.917 1036 HA VAL 132 HA VAL 132 -15.521 -1.434 -2.497 1037 HB VAL 132 HB VAL 132 -16.495 -4.118 -1.453 1038 1HG1 VAL 132 1HG1 VAL 132 -17.773 -2.032 -3.269 1039 2HG1 VAL 132 2HG1 VAL 132 -18.479 -3.614 -2.872 1040 3HG1 VAL 132 3HG1 VAL 132 -18.272 -2.398 -1.608 1041 1HG2 VAL 132 1HG2 VAL 132 -15.800 -3.287 -4.304 1042 2HG2 VAL 132 2HG2 VAL 132 -14.953 -4.520 -3.341 1043 3HG2 VAL 132 3HG2 VAL 132 -16.623 -4.791 -3.848 1044 H ILE 133 H ILE 133 -16.859 -0.126 -1.312 1045 HA ILE 133 HA ILE 133 -16.916 -0.461 1.651 1046 HB ILE 133 HB ILE 133 -16.325 2.072 0.073 1047 1HG1 ILE 133 1HG1 ILE 133 -14.630 0.289 1.875 1048 2HG1 ILE 133 2HG1 ILE 133 -14.381 0.676 0.138 1049 1HG2 ILE 133 1HG2 ILE 133 -17.760 2.481 2.109 1050 2HG2 ILE 133 2HG2 ILE 133 -16.491 1.708 3.086 1051 3HG2 ILE 133 3HG2 ILE 133 -16.176 3.219 2.211 1052 1HD1 ILE 133 1HD1 ILE 133 -14.060 3.107 0.892 1053 2HD1 ILE 133 2HD1 ILE 133 -14.007 2.512 2.567 1054 3HD1 ILE 133 3HD1 ILE 133 -12.796 1.966 1.400 1055 H GLU 134 H GLU 134 -18.966 -0.667 2.290 1056 HA GLU 134 HA GLU 134 -21.164 0.742 0.928 1057 1HB GLU 134 1HB GLU 134 -22.623 -0.209 2.519 1058 2HB GLU 134 2HB GLU 134 -21.555 -1.483 1.923 1059 1HG GLU 134 1HG GLU 134 -20.166 -1.148 4.038 1060 2HG GLU 134 2HG GLU 134 -21.446 -0.070 4.623 1061 H LYS 135 H LYS 135 -21.751 2.762 1.459 1062 HA LYS 135 HA LYS 135 -19.981 4.225 3.310 1063 1HB LYS 135 1HB LYS 135 -20.722 6.205 2.065 1064 2HB LYS 135 2HB LYS 135 -19.948 4.958 1.083 1065 1HG LYS 135 1HG LYS 135 -22.177 4.203 0.254 1066 2HG LYS 135 2HG LYS 135 -22.952 5.494 1.191 1067 1HD LYS 135 1HD LYS 135 -21.651 7.175 -0.092 1068 2HD LYS 135 2HD LYS 135 -20.850 5.864 -0.986 1069 1HE LYS 135 1HE LYS 135 -23.059 5.115 -1.850 1070 2HE LYS 135 2HE LYS 135 -23.840 6.457 -0.992 1071 1HZ LYS 135 1HZ LYS 135 -22.535 7.963 -2.308 1072 2HZ LYS 135 2HZ LYS 135 -21.814 6.710 -3.100 1073 3HZ LYS 135 3HZ LYS 135 -23.431 6.974 -3.278 1074 H LYS 136 H LYS 136 -21.414 2.968 4.995 1075 HA LYS 136 HA LYS 136 -23.939 4.165 5.710 1076 1HB LYS 136 1HB LYS 136 -23.660 2.922 7.804 1077 2HB LYS 136 2HB LYS 136 -23.416 1.913 6.382 1078 1HG LYS 136 1HG LYS 136 -21.427 1.280 7.089 1079 2HG LYS 136 2HG LYS 136 -20.815 2.930 7.127 1080 1HD LYS 136 1HD LYS 136 -22.375 1.574 9.374 1081 2HD LYS 136 2HD LYS 136 -20.613 1.665 9.290 1082 1HE LYS 136 1HE LYS 136 -22.461 4.086 9.472 1083 2HE LYS 136 2HE LYS 136 -21.558 3.360 10.807 1084 1HZ LYS 136 1HZ LYS 136 -19.537 3.848 9.655 1085 2HZ LYS 136 2HZ LYS 136 -20.361 4.544 8.409 1086 3HZ LYS 136 3HZ LYS 136 -20.413 5.221 9.909 No H/Q in entry = 1086 Start of MODEL 5 1 H SER 1 H SER 1 -21.220 7.118 4.949 2 HA SER 1 HA SER 1 -21.606 9.039 3.352 3 1HB SER 1 1HB SER 1 -22.710 8.983 5.575 4 2HB SER 1 2HB SER 1 -21.308 9.818 6.281 5 HG SER 1 HG SER 1 -22.983 11.252 5.703 6 H SER 2 H SER 2 -18.828 9.309 5.583 7 HA SER 2 HA SER 2 -17.971 11.876 4.738 8 1HB SER 2 1HB SER 2 -17.514 10.717 6.933 9 2HB SER 2 2HB SER 2 -16.336 9.692 6.093 10 HG SER 2 HG SER 2 -16.319 12.533 6.248 11 H SER 3 H SER 3 -15.537 12.111 4.066 12 HA SER 3 HA SER 3 -14.780 10.324 1.818 13 1HB SER 3 1HB SER 3 -14.361 12.296 0.396 14 2HB SER 3 2HB SER 3 -16.074 12.201 0.850 15 HG SER 3 HG SER 3 -15.195 14.301 1.097 16 H PHE 4 H PHE 4 -12.516 10.823 1.079 17 HA PHE 4 HA PHE 4 -10.834 10.999 3.437 18 1HB PHE 4 1HB PHE 4 -9.188 10.029 2.228 19 2HB PHE 4 2HB PHE 4 -10.617 9.339 1.480 20 HD1 PHE 4 HD1 PHE 4 -11.426 10.441 -0.765 21 HD2 PHE 4 HD2 PHE 4 -7.543 11.127 0.968 22 HE1 PHE 4 HE1 PHE 4 -10.553 11.129 -2.983 23 HE2 PHE 4 HE2 PHE 4 -6.644 11.683 -1.259 24 HZ PHE 4 1HZ PHE 4 -8.158 11.740 -3.240 25 H ASP 5 H ASP 5 -9.188 12.511 3.825 26 HA ASP 5 HA ASP 5 -9.582 15.167 2.579 27 1HB ASP 5 1HB ASP 5 -9.675 14.828 5.068 28 2HB ASP 5 2HB ASP 5 -7.972 14.355 5.025 29 H LYS 6 H LYS 6 -7.669 16.466 2.118 30 HA LYS 6 HA LYS 6 -5.914 16.912 0.840 31 1HB LYS 6 1HB LYS 6 -3.722 16.025 1.667 32 2HB LYS 6 2HB LYS 6 -4.750 16.926 2.778 33 1HG LYS 6 1HG LYS 6 -5.444 14.866 3.896 34 2HG LYS 6 2HG LYS 6 -4.435 13.899 2.797 35 1HD LYS 6 1HD LYS 6 -2.424 14.953 3.623 36 2HD LYS 6 2HD LYS 6 -3.345 16.158 4.538 37 1HE LYS 6 1HE LYS 6 -3.395 13.170 5.110 38 2HE LYS 6 2HE LYS 6 -2.395 14.354 5.964 39 1HZ LYS 6 1HZ LYS 6 -4.401 15.461 6.637 40 2HZ LYS 6 2HZ LYS 6 -5.327 14.329 5.877 41 3HZ LYS 6 3HZ LYS 6 -4.380 13.896 7.152 42 H GLY 7 H GLY 7 -6.715 16.261 -1.068 43 1HA GLY 7 1HA GLY 7 -6.783 13.759 -2.255 44 2HA GLY 7 2HA GLY 7 -6.734 15.304 -3.091 45 H LYS 8 H LYS 8 -4.976 12.475 -2.283 46 HA LYS 8 HA LYS 8 -3.166 11.516 -3.105 47 1HB LYS 8 1HB LYS 8 -2.711 13.913 -4.914 48 2HB LYS 8 2HB LYS 8 -1.986 12.326 -5.055 49 1HG LYS 8 1HG LYS 8 -4.940 13.001 -5.398 50 2HG LYS 8 2HG LYS 8 -3.786 12.600 -6.665 51 1HD LYS 8 1HD LYS 8 -4.799 10.703 -4.498 52 2HD LYS 8 2HD LYS 8 -5.244 10.718 -6.204 53 1HE LYS 8 1HE LYS 8 -2.843 10.260 -6.804 54 2HE LYS 8 2HE LYS 8 -2.491 10.067 -5.073 55 1HZ LYS 8 1HZ LYS 8 -4.095 8.315 -5.008 56 2HZ LYS 8 2HZ LYS 8 -4.402 8.478 -6.619 57 3HZ LYS 8 3HZ LYS 8 -2.911 7.988 -6.109 58 H TYR 9 H TYR 9 -2.691 14.863 -2.013 59 HA TYR 9 HA TYR 9 0.068 14.911 -1.741 60 1HB TYR 9 1HB TYR 9 -1.357 16.857 -1.438 61 2HB TYR 9 2HB TYR 9 -2.081 16.152 0.005 62 HD1 TYR 9 HD1 TYR 9 1.187 17.312 -1.433 63 HD2 TYR 9 HD2 TYR 9 -1.051 16.469 2.155 64 HE1 TYR 9 HE1 TYR 9 3.000 18.305 -0.066 65 HE2 TYR 9 HE2 TYR 9 0.755 17.478 3.517 66 HH TYR 9 HH TYR 9 2.797 18.543 3.504 67 H LYS 10 H LYS 10 1.473 13.842 -0.526 68 HA LYS 10 HA LYS 10 0.344 11.672 1.073 69 1HB LYS 10 1HB LYS 10 1.965 11.699 -1.108 70 2HB LYS 10 2HB LYS 10 3.189 11.675 0.154 71 1HG LYS 10 1HG LYS 10 2.749 9.399 -0.344 72 2HG LYS 10 2HG LYS 10 1.840 9.688 1.149 73 1HD LYS 10 1HD LYS 10 -0.234 10.071 -0.296 74 2HD LYS 10 2HD LYS 10 0.751 9.718 -1.717 75 1HE LYS 10 1HE LYS 10 -0.570 7.772 -1.037 76 2HE LYS 10 2HE LYS 10 1.163 7.447 -0.889 77 1HZ LYS 10 1HZ LYS 10 -0.588 8.221 1.325 78 2HZ LYS 10 2HZ LYS 10 -0.114 6.682 0.994 79 3HZ LYS 10 3HZ LYS 10 1.003 7.808 1.441 80 H LYS 11 H LYS 11 0.788 14.286 2.388 81 HA LYS 11 HA LYS 11 1.498 15.143 4.314 82 1HB LYS 11 1HB LYS 11 0.948 13.167 5.448 83 2HB LYS 11 2HB LYS 11 2.408 12.319 4.979 84 1HG LYS 11 1HG LYS 11 2.503 14.816 6.705 85 2HG LYS 11 2HG LYS 11 2.245 13.186 7.336 86 1HD LYS 11 1HD LYS 11 4.410 12.519 6.057 87 2HD LYS 11 2HD LYS 11 4.741 14.262 6.004 88 1HE LYS 11 1HE LYS 11 4.606 14.379 8.450 89 2HE LYS 11 2HE LYS 11 4.236 12.643 8.524 90 1HZ LYS 11 1HZ LYS 11 6.342 12.202 7.512 91 2HZ LYS 11 2HZ LYS 11 6.701 13.809 7.447 92 3HZ LYS 11 3HZ LYS 11 6.542 13.057 8.907 93 H GLY 12 H GLY 12 4.127 12.912 3.336 94 1HA GLY 12 1HA GLY 12 5.707 14.986 2.137 95 2HA GLY 12 2HA GLY 12 6.368 14.482 3.712 96 H ASP 13 H ASP 13 8.197 13.531 2.667 97 HA ASP 13 HA ASP 13 9.435 11.826 1.868 98 1HB ASP 13 1HB ASP 13 7.036 10.109 2.646 99 2HB ASP 13 2HB ASP 13 8.716 9.589 2.485 100 H ASP 14 H ASP 14 8.034 13.226 -0.155 101 HA ASP 14 HA ASP 14 7.113 11.167 -2.089 102 1HB ASP 14 1HB ASP 14 5.624 13.064 -1.525 103 2HB ASP 14 2HB ASP 14 6.845 14.197 -2.117 104 H ALA 15 H ALA 15 9.555 10.618 -1.966 105 HA ALA 15 HA ALA 15 11.369 12.258 -3.542 106 1HB ALA 15 1HB ALA 15 11.470 9.388 -2.550 107 2HB ALA 15 2HB ALA 15 12.796 10.211 -3.402 108 3HB ALA 15 3HB ALA 15 12.248 10.809 -1.820 109 H SER 16 H SER 16 9.329 9.388 -4.050 110 HA SER 16 HA SER 16 8.326 8.511 -5.795 111 1HB SER 16 1HB SER 16 7.809 10.821 -6.462 112 2HB SER 16 2HB SER 16 9.254 10.866 -7.488 113 HG SER 16 HG SER 16 7.108 9.029 -7.693 114 H TYR 17 H TYR 17 11.197 9.866 -7.532 115 HA TYR 17 HA TYR 17 12.394 7.227 -7.728 116 1HB TYR 17 1HB TYR 17 12.230 6.890 -10.024 117 2HB TYR 17 2HB TYR 17 10.597 7.289 -9.518 118 HD1 TYR 17 HD1 TYR 17 9.920 9.870 -9.751 119 HD2 TYR 17 HD2 TYR 17 13.139 7.966 -11.899 120 HE1 TYR 17 HE1 TYR 17 9.937 11.732 -11.376 121 HE2 TYR 17 HE2 TYR 17 13.140 9.822 -13.534 122 HH TYR 17 HH TYR 17 12.219 11.842 -14.140 123 H PHE 18 H PHE 18 14.371 7.325 -9.180 124 HA PHE 18 HA PHE 18 16.327 8.097 -9.842 125 1HB PHE 18 1HB PHE 18 14.974 9.691 -11.130 126 2HB PHE 18 2HB PHE 18 15.073 10.868 -9.829 127 HD1 PHE 18 HD1 PHE 18 16.893 9.216 -12.576 128 HD2 PHE 18 HD2 PHE 18 17.131 12.121 -9.396 129 HE1 PHE 18 HE1 PHE 18 18.938 10.175 -13.598 130 HE2 PHE 18 HE2 PHE 18 19.208 13.036 -10.393 131 HZ PHE 18 1HZ PHE 18 20.110 12.072 -12.500 132 H GLU 19 H GLU 19 18.093 8.047 -8.639 133 HA GLU 19 HA GLU 19 19.780 8.676 -7.375 134 1HB GLU 19 1HB GLU 19 19.079 10.978 -8.176 135 2HB GLU 19 2HB GLU 19 18.284 11.205 -6.618 136 1HG GLU 19 1HG GLU 19 20.309 12.252 -6.337 137 2HG GLU 19 2HG GLU 19 20.594 10.703 -5.554 138 HA PRO 20 HA PRO 20 18.801 7.431 -3.035 139 1HB PRO 20 1HB PRO 20 21.554 8.649 -2.803 140 2HB PRO 20 2HB PRO 20 20.881 7.221 -1.962 141 1HG PRO 20 1HG PRO 20 22.464 6.866 -4.123 142 2HG PRO 20 2HG PRO 20 20.937 5.941 -4.011 143 1HD PRO 20 1HD PRO 20 21.472 8.479 -5.555 144 2HD PRO 20 2HD PRO 20 20.635 6.995 -6.101 145 H THR 21 H THR 21 17.302 8.717 -2.170 146 HA THR 21 HA THR 21 17.927 11.540 -1.456 147 HB THR 21 HB THR 21 15.525 12.035 -2.197 148 HG1 THR 21 HG1 THR 21 15.975 9.708 -3.758 149 1HG2 THR 21 1HG2 THR 21 16.173 12.464 -4.532 150 2HG2 THR 21 2HG2 THR 21 17.456 12.932 -3.399 151 H GLY 22 H GLY 22 15.262 9.091 -1.230 152 1HA GLY 22 1HA GLY 22 15.432 8.780 1.576 153 2HA GLY 22 2HA GLY 22 14.303 10.093 1.239 154 HA PRO 23 HA PRO 23 12.372 6.002 -0.421 155 1HB PRO 23 1HB PRO 23 12.551 3.846 1.237 156 2HB PRO 23 2HB PRO 23 13.841 4.304 0.100 157 1HG PRO 23 1HG PRO 23 13.665 5.009 3.040 158 2HG PRO 23 2HG PRO 23 15.040 4.242 2.190 159 1HD PRO 23 1HD PRO 23 14.907 6.923 2.653 160 2HD PRO 23 2HD PRO 23 15.624 6.288 1.138 161 H TYR 24 H TYR 24 10.471 4.662 0.498 162 HA TYR 24 HA TYR 24 9.108 5.772 2.832 163 1HB TYR 24 1HB TYR 24 7.220 6.662 1.417 164 2HB TYR 24 2HB TYR 24 8.711 7.583 1.325 165 HD1 TYR 24 HD1 TYR 24 6.599 5.115 -0.521 166 HD2 TYR 24 HD2 TYR 24 9.925 7.857 -0.737 167 HE1 TYR 24 HE1 TYR 24 6.739 4.774 -2.970 168 HE2 TYR 24 HE2 TYR 24 10.034 7.524 -3.188 169 HH TYR 24 HH TYR 24 9.142 6.452 -5.016 170 H LEU 25 H LEU 25 6.962 4.843 3.089 171 HA LEU 25 HA LEU 25 6.342 2.395 1.580 172 1HB LEU 25 1HB LEU 25 7.905 1.757 3.378 173 2HB LEU 25 2HB LEU 25 6.792 2.360 4.601 174 HG LEU 25 HG LEU 25 5.980 0.246 2.562 175 1HD1 LEU 25 1HD1 LEU 25 7.368 -0.216 5.229 176 2HD1 LEU 25 2HD1 LEU 25 6.617 -1.479 4.229 177 3HD1 LEU 25 3HD1 LEU 25 8.011 -0.587 3.609 178 1HD2 LEU 25 1HD2 LEU 25 4.981 0.923 5.367 179 2HD2 LEU 25 2HD2 LEU 25 4.101 1.116 3.833 180 3HD2 LEU 25 3HD2 LEU 25 4.469 -0.497 4.434 181 H MET 26 H MET 26 4.524 3.385 0.812 182 HA MET 26 HA MET 26 2.637 4.699 2.652 183 1HB MET 26 1HB MET 26 1.382 5.235 0.628 184 2HB MET 26 2HB MET 26 3.053 5.815 0.583 185 1HG MET 26 1HG MET 26 3.657 3.918 -0.903 186 2HG MET 26 2HG MET 26 1.991 3.323 -0.814 187 1HE MET 26 1HE MET 26 4.472 5.922 -2.275 188 2HE MET 26 2HE MET 26 3.406 7.058 -3.129 189 3HE MET 26 3HE MET 26 3.445 7.038 -1.356 190 H VAL 27 H VAL 27 0.682 3.910 3.260 191 HA VAL 27 HA VAL 27 -0.167 1.211 2.301 192 HB VAL 27 HB VAL 27 -0.274 2.214 5.177 193 1HG1 VAL 27 1HG1 VAL 27 -1.076 -0.421 3.846 194 2HG1 VAL 27 2HG1 VAL 27 -1.002 -0.150 5.593 195 3HG1 VAL 27 3HG1 VAL 27 -2.168 0.749 4.625 196 1HG2 VAL 27 1HG2 VAL 27 1.517 0.158 3.817 197 2HG2 VAL 27 2HG2 VAL 27 2.016 1.654 4.647 198 3HG2 VAL 27 3HG2 VAL 27 1.329 0.318 5.571 199 H ASN 28 H ASN 28 -1.590 2.062 0.868 200 HA ASN 28 HA ASN 28 -4.041 3.352 1.875 201 1HB ASN 28 1HB ASN 28 -1.919 4.640 0.125 202 2HB ASN 28 2HB ASN 28 -3.603 5.053 -0.110 203 1HD2 ASN 28 1HD2 ASN 28 -3.981 6.763 3.054 204 2HD2 ASN 28 2HD2 ASN 28 -4.854 5.843 1.847 205 H VAL 29 H VAL 29 -5.621 3.649 0.046 206 HA VAL 29 HA VAL 29 -5.400 1.485 -1.956 207 HB VAL 29 HB VAL 29 -7.511 0.480 -1.108 208 1HG1 VAL 29 1HG1 VAL 29 -5.268 -0.355 -0.367 209 2HG1 VAL 29 2HG1 VAL 29 -5.450 0.595 1.117 210 3HG1 VAL 29 3HG1 VAL 29 -6.594 -0.708 0.756 211 1HG2 VAL 29 1HG2 VAL 29 -7.216 2.432 1.225 212 2HG2 VAL 29 2HG2 VAL 29 -8.528 2.399 0.025 213 3HG2 VAL 29 3HG2 VAL 29 -8.324 1.057 1.164 214 H THR 30 H THR 30 -7.451 1.253 -3.228 215 HA THR 30 HA THR 30 -8.498 3.937 -4.006 216 HB THR 30 1HB THR 30 -8.375 1.371 -5.637 217 HG1 THR 30 HG1 THR 30 -6.314 2.237 -5.231 218 1HG2 THR 30 1HG2 THR 30 -8.878 2.892 -7.520 219 2HG2 THR 30 2HG2 THR 30 -10.176 2.970 -6.317 220 H GLY 31 H GLY 31 -10.549 4.312 -3.423 221 1HA GLY 31 1HA GLY 31 -12.174 2.192 -2.216 222 2HA GLY 31 2HA GLY 31 -12.429 3.943 -2.196 223 H VAL 32 H VAL 32 -12.978 0.980 -4.031 224 HA VAL 32 HA VAL 32 -14.437 2.421 -6.157 225 HB VAL 32 HB VAL 32 -14.339 0.344 -7.378 226 1HG1 VAL 32 1HG1 VAL 32 -12.446 1.934 -7.518 227 2HG1 VAL 32 2HG1 VAL 32 -11.606 1.027 -6.238 228 3HG1 VAL 32 3HG1 VAL 32 -11.955 0.254 -7.794 229 1HG2 VAL 32 1HG2 VAL 32 -14.454 -1.245 -5.429 230 2HG2 VAL 32 2HG2 VAL 32 -13.209 -1.630 -6.614 231 3HG2 VAL 32 3HG2 VAL 32 -12.756 -0.865 -5.081 232 H ASP 33 H ASP 33 -16.363 1.362 -7.077 233 HA ASP 33 HA ASP 33 -18.362 0.523 -5.063 234 1HB ASP 33 1HB ASP 33 -18.442 1.100 -8.060 235 2HB ASP 33 2HB ASP 33 -19.811 0.416 -7.185 236 H SER 34 H SER 34 -19.734 -1.398 -5.799 237 HA SER 34 HA SER 34 -18.263 -3.814 -6.046 238 1HB SER 34 1HB SER 34 -20.544 -3.660 -5.121 239 2HB SER 34 2HB SER 34 -21.176 -3.206 -6.719 240 HG SER 34 HG SER 34 -21.378 -5.443 -6.287 241 H LYS 35 H LYS 35 -19.866 -1.696 -8.450 242 HA LYS 35 HA LYS 35 -19.331 -3.265 -10.766 243 1HB LYS 35 1HB LYS 35 -20.997 -1.506 -10.709 244 2HB LYS 35 2HB LYS 35 -19.762 -0.270 -10.414 245 1HG LYS 35 1HG LYS 35 -18.790 -0.612 -12.602 246 2HG LYS 35 2HG LYS 35 -19.772 -2.064 -12.881 247 1HD LYS 35 1HD LYS 35 -21.825 -0.761 -12.894 248 2HD LYS 35 2HD LYS 35 -20.953 0.727 -12.504 249 1HE LYS 35 1HE LYS 35 -20.529 -0.935 -15.032 250 2HE LYS 35 2HE LYS 35 -21.557 0.506 -14.922 251 1HZ LYS 35 1HZ LYS 35 -19.638 1.772 -14.315 252 2HZ LYS 35 2HZ LYS 35 -18.667 0.445 -14.433 253 3HZ LYS 35 3HZ LYS 35 -19.417 1.039 -15.775 254 H GLY 36 H GLY 36 -17.585 -0.407 -9.382 255 1HA GLY 36 1HA GLY 36 -15.128 -1.162 -9.093 256 2HA GLY 36 2HA GLY 36 -15.112 -1.192 -10.858 257 H ASN 37 H ASN 37 -17.169 1.345 -9.842 258 HA ASN 37 HA ASN 37 -15.289 3.267 -10.911 259 1HB ASN 37 1HB ASN 37 -18.051 3.672 -9.705 260 2HB ASN 37 2HB ASN 37 -17.121 4.856 -10.631 261 1HD2 ASN 37 1HD2 ASN 37 -19.140 1.801 -12.520 262 2HD2 ASN 37 2HD2 ASN 37 -18.973 1.842 -10.779 263 H GLU 38 H GLU 38 -13.842 4.402 -9.788 264 HA GLU 38 HA GLU 38 -13.560 4.255 -6.958 265 1HB GLU 38 1HB GLU 38 -11.812 5.960 -7.228 266 2HB GLU 38 2HB GLU 38 -11.583 4.464 -8.120 267 1HG GLU 38 1HG GLU 38 -12.653 6.991 -9.461 268 2HG GLU 38 2HG GLU 38 -10.939 6.643 -9.269 269 H LEU 39 H LEU 39 -15.083 5.049 -5.650 270 HA LEU 39 HA LEU 39 -16.451 7.588 -6.048 271 1HB LEU 39 1HB LEU 39 -16.113 6.056 -3.429 272 2HB LEU 39 2HB LEU 39 -17.259 7.326 -3.827 273 HG LEU 39 HG LEU 39 -17.964 5.494 -5.722 274 1HD1 LEU 39 1HD1 LEU 39 -16.903 3.922 -3.308 275 2HD1 LEU 39 2HD1 LEU 39 -17.993 3.253 -4.518 276 3HD1 LEU 39 3HD1 LEU 39 -16.372 3.764 -4.994 277 1HD2 LEU 39 1HD2 LEU 39 -18.869 5.530 -2.810 278 2HD2 LEU 39 2HD2 LEU 39 -19.474 6.583 -4.109 279 3HD2 LEU 39 3HD2 LEU 39 -19.779 4.840 -4.171 280 H LEU 40 H LEU 40 -13.984 6.289 -3.834 281 HA LEU 40 HA LEU 40 -12.738 8.974 -3.438 282 1HB LEU 40 1HB LEU 40 -12.908 6.610 -1.528 283 2HB LEU 40 2HB LEU 40 -12.202 8.190 -1.175 284 HG LEU 40 HG LEU 40 -15.161 7.659 -1.740 285 1HD1 LEU 40 1HD1 LEU 40 -14.408 6.690 0.385 286 2HD1 LEU 40 2HD1 LEU 40 -13.705 8.250 0.863 287 3HD1 LEU 40 3HD1 LEU 40 -15.465 8.087 0.646 288 1HD2 LEU 40 1HD2 LEU 40 -13.745 10.196 -0.806 289 2HD2 LEU 40 2HD2 LEU 40 -14.519 9.968 -2.387 290 3HD2 LEU 40 3HD2 LEU 40 -15.500 9.967 -0.919 291 H SER 41 H SER 41 -10.449 8.798 -2.838 292 HA SER 41 HA SER 41 -8.977 6.386 -3.744 293 1HB SER 41 1HB SER 41 -8.556 9.174 -4.891 294 2HB SER 41 2HB SER 41 -7.473 7.782 -5.121 295 HG SER 41 HG SER 41 -8.954 8.031 -6.830 296 HA PRO 42 HA PRO 42 -7.696 8.606 0.203 297 1HB PRO 42 1HB PRO 42 -7.528 6.407 1.830 298 2HB PRO 42 2HB PRO 42 -9.024 7.337 1.544 299 1HG PRO 42 1HG PRO 42 -8.149 4.797 0.175 300 2HG PRO 42 2HG PRO 42 -9.749 5.163 0.875 301 1HD PRO 42 1HD PRO 42 -9.339 5.429 -1.765 302 2HD PRO 42 2HD PRO 42 -10.293 6.650 -0.880 303 H HIS 43 H HIS 43 -5.707 9.206 -0.345 304 HA HIS 43 HA HIS 43 -3.435 7.316 -0.242 305 1HB HIS 43 1HB HIS 43 -4.173 9.046 -2.624 306 2HB HIS 43 2HB HIS 43 -2.551 8.405 -2.345 307 HD1 HIS 43 HD1 HIS 43 -5.899 7.341 -3.685 308 HD2 HIS 43 HD2 HIS 43 -2.270 5.652 -2.390 309 HE1 HIS 43 HE1 HIS 43 -5.861 4.936 -4.543 310 H TYR 44 H TYR 44 -2.907 8.283 1.711 311 HA TYR 44 HA TYR 44 -1.581 10.863 1.500 312 1HB TYR 44 1HB TYR 44 -2.807 11.911 3.310 313 2HB TYR 44 2HB TYR 44 -3.775 11.663 1.870 314 HD1 TYR 44 HD1 TYR 44 -5.574 9.948 1.798 315 HD2 TYR 44 HD2 TYR 44 -3.401 10.803 5.422 316 HE1 TYR 44 HE1 TYR 44 -7.347 8.838 3.125 317 HE2 TYR 44 HE2 TYR 44 -5.230 9.795 6.752 318 HH TYR 44 HH TYR 44 -8.156 8.392 5.231 319 H VAL 45 H VAL 45 -2.393 7.997 3.437 320 HA VAL 45 HA VAL 45 -0.635 8.665 5.620 321 HB VAL 45 HB VAL 45 -1.902 5.987 4.906 322 1HG1 VAL 45 1HG1 VAL 45 -0.772 7.069 7.524 323 2HG1 VAL 45 2HG1 VAL 45 -1.622 5.524 7.318 324 3HG1 VAL 45 3HG1 VAL 45 -0.055 5.773 6.546 325 1HG2 VAL 45 1HG2 VAL 45 -2.907 8.295 6.611 326 2HG2 VAL 45 2HG2 VAL 45 -3.666 7.615 5.145 327 3HG2 VAL 45 3HG2 VAL 45 -3.595 6.662 6.626 328 H GLU 46 H GLU 46 1.485 8.963 4.981 329 HA GLU 46 HA GLU 46 2.939 6.745 3.665 330 1HB GLU 46 1HB GLU 46 4.844 8.175 3.644 331 2HB GLU 46 2HB GLU 46 3.449 9.035 3.010 332 1HG GLU 46 1HG GLU 46 4.624 10.589 4.349 333 2HG GLU 46 2HG GLU 46 3.177 10.155 5.265 334 H PHE 47 H PHE 47 5.021 6.091 4.787 335 HA PHE 47 HA PHE 47 5.131 6.364 7.663 336 1HB PHE 47 1HB PHE 47 3.599 4.497 7.591 337 2HB PHE 47 2HB PHE 47 4.579 3.655 6.404 338 HD1 PHE 47 HD1 PHE 47 4.442 4.718 9.967 339 HD2 PHE 47 HD2 PHE 47 6.445 2.277 7.029 340 HE1 PHE 47 HE1 PHE 47 5.657 3.528 11.774 341 HE2 PHE 47 HE2 PHE 47 7.626 1.069 8.839 342 HZ PHE 47 1HZ PHE 47 7.249 1.703 11.214 343 HA PRO 48 HA PRO 48 9.364 6.164 6.091 344 1HB PRO 48 1HB PRO 48 10.773 6.306 8.432 345 2HB PRO 48 2HB PRO 48 9.904 7.701 7.728 346 1HG PRO 48 1HG PRO 48 8.928 5.835 9.905 347 2HG PRO 48 2HG PRO 48 8.914 7.623 9.902 348 1HD PRO 48 1HD PRO 48 6.729 6.166 9.224 349 2HD PRO 48 2HD PRO 48 7.107 7.688 8.366 350 H ILE 49 H ILE 49 10.225 4.313 5.365 351 HA ILE 49 HA ILE 49 9.234 1.869 6.081 352 HB ILE 49 HB ILE 49 10.138 2.403 3.913 353 1HG1 ILE 49 1HG1 ILE 49 11.712 0.044 5.034 354 2HG1 ILE 49 2HG1 ILE 49 9.950 0.030 4.834 355 1HG2 ILE 49 1HG2 ILE 49 12.166 3.693 4.637 356 2HG2 ILE 49 2HG2 ILE 49 12.947 2.160 5.076 357 3HG2 ILE 49 3HG2 ILE 49 12.506 2.490 3.395 358 1HD1 ILE 49 1HD1 ILE 49 10.248 0.526 2.407 359 2HD1 ILE 49 2HD1 ILE 49 12.012 0.400 2.609 360 3HD1 ILE 49 3HD1 ILE 49 10.984 -1.012 2.907 361 H LYS 50 H LYS 50 9.714 0.221 7.369 362 HA LYS 50 HA LYS 50 12.325 -0.023 8.729 363 1HB LYS 50 1HB LYS 50 9.654 0.087 10.175 364 2HB LYS 50 2HB LYS 50 11.157 -0.557 10.859 365 1HG LYS 50 1HG LYS 50 12.258 1.654 10.468 366 2HG LYS 50 2HG LYS 50 10.697 2.303 9.922 367 1HD LYS 50 1HD LYS 50 9.694 1.746 12.119 368 2HD LYS 50 2HD LYS 50 11.265 1.124 12.671 369 1HE LYS 50 1HE LYS 50 12.276 3.366 12.302 370 2HE LYS 50 2HE LYS 50 10.699 3.985 11.770 371 1HZ LYS 50 1HZ LYS 50 11.307 2.890 14.423 372 2HZ LYS 50 2HZ LYS 50 11.131 4.486 14.051 373 3HZ LYS 50 3HZ LYS 50 9.841 3.466 13.933 374 HA PRO 51 HA PRO 51 10.674 -3.889 6.895 375 1HB PRO 51 1HB PRO 51 12.993 -5.083 6.138 376 2HB PRO 51 2HB PRO 51 12.371 -3.631 5.303 377 1HG PRO 51 1HG PRO 51 14.435 -3.722 7.517 378 2HG PRO 51 2HG PRO 51 14.577 -2.914 5.926 379 1HD PRO 51 1HD PRO 51 13.801 -1.587 8.177 380 2HD PRO 51 2HD PRO 51 13.093 -1.185 6.584 381 H GLY 52 H GLY 52 11.192 -6.293 7.304 382 1HA GLY 52 1HA GLY 52 11.914 -8.010 8.745 383 2HA GLY 52 2HA GLY 52 12.192 -6.862 10.054 384 H THR 53 H THR 53 9.480 -5.540 9.429 385 HA THR 53 HA THR 53 7.890 -7.042 11.253 386 HB THR 53 HB THR 53 7.775 -4.596 10.975 387 HG1 THR 53 HG1 THR 53 5.332 -5.911 10.410 388 1HG2 THR 53 1HG2 THR 53 7.928 -4.460 8.474 389 2HG2 THR 53 2HG2 THR 53 6.287 -5.136 8.365 390 H THR 54 H THR 54 5.896 -8.137 10.884 391 HA THR 54 HA THR 54 5.871 -9.957 8.705 392 HB THR 54 HB THR 54 3.683 -9.189 10.686 393 HG1 THR 54 HG1 THR 54 4.505 -11.010 11.778 394 1HG2 THR 54 1HG2 THR 54 2.840 -11.507 10.253 395 2HG2 THR 54 2HG2 THR 54 2.680 -10.456 8.843 396 H LEU 55 H LEU 55 4.449 -10.125 6.929 397 HA LEU 55 HA LEU 55 2.681 -7.916 6.233 398 1HB LEU 55 1HB LEU 55 5.205 -7.457 5.550 399 2HB LEU 55 2HB LEU 55 4.877 -8.563 4.241 400 HG LEU 55 HG LEU 55 4.582 -6.329 3.472 401 1HD1 LEU 55 1HD1 LEU 55 2.899 -7.917 2.630 402 2HD1 LEU 55 2HD1 LEU 55 1.771 -7.413 3.915 403 3HD1 LEU 55 3HD1 LEU 55 2.293 -6.252 2.685 404 1HD2 LEU 55 1HD2 LEU 55 4.262 -5.259 5.710 405 2HD2 LEU 55 2HD2 LEU 55 3.172 -4.650 4.453 406 3HD2 LEU 55 3HD2 LEU 55 2.559 -5.765 5.674 407 H THR 56 H THR 56 0.960 -9.224 6.031 408 HA THR 56 HA THR 56 0.921 -11.280 3.909 409 HB THR 56 HB THR 56 1.575 -12.431 5.992 410 HG1 THR 56 HG1 THR 56 -0.077 -13.961 5.904 411 1HG2 THR 56 1HG2 THR 56 -1.076 -11.405 7.078 412 2HG2 THR 56 2HG2 THR 56 -0.061 -12.643 7.842 413 H LYS 57 H LYS 57 -1.666 -12.167 4.217 414 HA LYS 57 HA LYS 57 -3.191 -10.046 3.159 415 1HB LYS 57 1HB LYS 57 -3.671 -12.456 2.802 416 2HB LYS 57 2HB LYS 57 -4.175 -12.580 4.491 417 1HG LYS 57 1HG LYS 57 -5.805 -10.525 3.716 418 2HG LYS 57 2HG LYS 57 -5.489 -11.221 2.134 419 1HD LYS 57 1HD LYS 57 -7.534 -12.106 3.013 420 2HD LYS 57 2HD LYS 57 -6.355 -13.428 3.003 421 1HE LYS 57 1HE LYS 57 -6.060 -13.256 5.418 422 2HE LYS 57 2HE LYS 57 -6.904 -11.702 5.466 423 1HZ LYS 57 1HZ LYS 57 -8.895 -12.830 4.835 424 2HZ LYS 57 2HZ LYS 57 -8.109 -14.281 4.788 425 3HZ LYS 57 3HZ LYS 57 -8.268 -13.473 6.218 426 H GLU 58 H GLU 58 -3.472 -11.572 6.460 427 HA GLU 58 HA GLU 58 -5.426 -9.735 7.317 428 1HB GLU 58 1HB GLU 58 -5.174 -10.618 9.518 429 2HB GLU 58 2HB GLU 58 -5.163 -11.897 8.311 430 1HG GLU 58 1HG GLU 58 -3.568 -12.467 9.980 431 2HG GLU 58 2HG GLU 58 -2.682 -12.069 8.514 432 H LYS 59 H LYS 59 -1.906 -9.394 7.280 433 HA LYS 59 HA LYS 59 -1.714 -7.224 9.102 434 1HB LYS 59 1HB LYS 59 0.206 -8.602 8.096 435 2HB LYS 59 2HB LYS 59 -0.002 -7.628 6.633 436 1HG LYS 59 1HG LYS 59 1.649 -6.437 7.716 437 2HG LYS 59 2HG LYS 59 0.220 -5.567 8.272 438 1HD LYS 59 1HD LYS 59 0.271 -7.000 10.363 439 2HD LYS 59 2HD LYS 59 1.755 -7.751 9.753 440 1HE LYS 59 1HE LYS 59 2.821 -5.464 9.665 441 2HE LYS 59 2HE LYS 59 1.359 -4.797 10.410 442 1HZ LYS 59 1HZ LYS 59 3.113 -6.840 11.580 443 2HZ LYS 59 2HZ LYS 59 3.059 -5.247 12.007 444 3HZ LYS 59 3HZ LYS 59 1.756 -6.219 12.285 445 H ILE 60 H ILE 60 -1.990 -7.314 5.514 446 HA ILE 60 HA ILE 60 -2.214 -4.585 4.980 447 HB ILE 60 HB ILE 60 -3.451 -6.996 3.605 448 1HG1 ILE 60 1HG1 ILE 60 -0.923 -6.789 3.649 449 2HG1 ILE 60 2HG1 ILE 60 -1.705 -6.934 2.061 450 1HG2 ILE 60 1HG2 ILE 60 -3.458 -4.114 2.671 451 2HG2 ILE 60 2HG2 ILE 60 -3.738 -5.512 1.613 452 3HG2 ILE 60 3HG2 ILE 60 -4.852 -5.177 2.935 453 1HD1 ILE 60 1HD1 ILE 60 -0.675 -4.331 3.285 454 2HD1 ILE 60 2HD1 ILE 60 0.123 -5.317 2.044 455 3HD1 ILE 60 3HD1 ILE 60 -1.404 -4.517 1.670 456 H GLU 61 H GLU 61 -4.892 -6.927 5.582 457 HA GLU 61 HA GLU 61 -7.050 -5.317 5.220 458 1HB GLU 61 1HB GLU 61 -6.627 -7.534 7.246 459 2HB GLU 61 2HB GLU 61 -8.199 -6.757 6.986 460 1HG GLU 61 1HG GLU 61 -8.153 -7.344 4.606 461 2HG GLU 61 2HG GLU 61 -6.603 -8.161 4.806 462 H TYR 62 H TYR 62 -5.670 -5.783 8.571 463 HA TYR 62 HA TYR 62 -7.344 -3.748 9.607 464 1HB TYR 62 1HB TYR 62 -6.191 -3.922 11.637 465 2HB TYR 62 2HB TYR 62 -6.404 -5.525 10.965 466 HD1 TYR 62 HD1 TYR 62 -3.885 -2.751 11.369 467 HD2 TYR 62 HD2 TYR 62 -4.563 -6.995 11.028 468 HE1 TYR 62 HE1 TYR 62 -1.556 -3.174 12.052 469 HE2 TYR 62 HE2 TYR 62 -2.235 -7.416 11.751 470 HH TYR 62 HH TYR 62 -0.004 -4.759 12.647 471 H TYR 63 H TYR 63 -4.034 -3.584 8.286 472 HA TYR 63 HA TYR 63 -3.438 -1.038 9.331 473 1HB TYR 63 1HB TYR 63 -1.924 -2.883 8.505 474 2HB TYR 63 2HB TYR 63 -2.199 -2.304 6.864 475 HD1 TYR 63 HD1 TYR 63 -2.037 0.709 8.700 476 HD2 TYR 63 HD2 TYR 63 0.443 -2.661 7.620 477 HE1 TYR 63 HE1 TYR 63 -0.037 2.108 8.921 478 HE2 TYR 63 HE2 TYR 63 2.458 -1.258 7.928 479 HH TYR 63 HH TYR 63 2.261 2.215 8.796 480 H VAL 64 H VAL 64 -4.604 -1.997 6.016 481 HA VAL 64 HA VAL 64 -4.774 0.698 5.081 482 HB VAL 64 HB VAL 64 -6.035 -0.082 3.241 483 1HG1 VAL 64 1HG1 VAL 64 -3.642 -0.413 3.143 484 2HG1 VAL 64 2HG1 VAL 64 -3.777 -2.009 3.906 485 3HG1 VAL 64 3HG1 VAL 64 -4.462 -1.728 2.295 486 1HG2 VAL 64 1HG2 VAL 64 -6.351 -2.757 4.624 487 2HG2 VAL 64 2HG2 VAL 64 -7.625 -1.627 4.143 488 3HG2 VAL 64 3HG2 VAL 64 -6.671 -2.453 2.911 489 H GLU 65 H GLU 65 -7.095 -1.417 6.794 490 HA GLU 65 HA GLU 65 -9.404 0.204 6.517 491 1HB GLU 65 1HB GLU 65 -8.493 -1.789 8.602 492 2HB GLU 65 2HB GLU 65 -10.012 -0.901 8.774 493 1HG GLU 65 1HG GLU 65 -10.931 -1.794 6.775 494 2HG GLU 65 2HG GLU 65 -9.380 -2.438 6.235 495 H TRP 66 H TRP 66 -6.751 0.283 8.966 496 HA TRP 66 HA TRP 66 -7.869 2.496 10.445 497 1HB TRP 66 1HB TRP 66 -4.985 1.625 10.228 498 2HB TRP 66 2HB TRP 66 -5.701 2.625 11.488 499 HD1 TRP 66 HD1 TRP 66 -4.048 0.176 12.227 500 HE1 TRP 66 HE1 TRP 66 -4.991 -1.840 13.446 501 HE3 TRP 66 HE3 TRP 66 -9.058 0.768 11.106 502 HZ2 TRP 66 HZ2 TRP 66 -7.554 -3.094 13.850 503 HZ3 TRP 66 HZ3 TRP 66 -10.677 -0.895 11.872 504 HH2 TRP 66 HH2 TRP 66 -9.957 -2.834 13.246 505 H ALA 67 H ALA 67 -5.742 2.239 7.591 506 HA ALA 67 HA ALA 67 -4.758 4.861 7.637 507 1HB ALA 67 1HB ALA 67 -3.764 3.062 6.296 508 2HB ALA 67 2HB ALA 67 -5.162 3.086 5.200 509 3HB ALA 67 3HB ALA 67 -4.113 4.503 5.322 510 H LEU 68 H LEU 68 -7.390 3.635 5.410 511 HA LEU 68 HA LEU 68 -8.030 6.286 4.637 512 1HB LEU 68 1HB LEU 68 -9.633 5.527 3.275 513 2HB LEU 68 2HB LEU 68 -8.459 4.213 3.266 514 HG LEU 68 HG LEU 68 -11.093 4.239 4.845 515 1HD1 LEU 68 1HD1 LEU 68 -10.432 2.963 2.167 516 2HD1 LEU 68 2HD1 LEU 68 -11.938 2.741 3.086 517 3HD1 LEU 68 3HD1 LEU 68 -11.524 4.339 2.443 518 1HD2 LEU 68 1HD2 LEU 68 -9.210 1.946 4.130 519 2HD2 LEU 68 2HD2 LEU 68 -9.385 2.677 5.743 520 3HD2 LEU 68 3HD2 LEU 68 -10.744 1.809 5.014 521 H ASP 69 H ASP 69 -9.356 4.225 7.215 522 HA ASP 69 HA ASP 69 -11.399 6.251 7.892 523 1HB ASP 69 1HB ASP 69 -10.797 3.587 9.214 524 2HB ASP 69 2HB ASP 69 -12.165 4.634 9.530 525 H ALA 70 H ALA 70 -8.960 7.359 7.997 526 HA ALA 70 HA ALA 70 -8.554 7.865 10.914 527 1HB ALA 70 1HB ALA 70 -6.792 8.562 8.523 528 2HB ALA 70 2HB ALA 70 -6.499 9.025 10.212 529 3HB ALA 70 3HB ALA 70 -6.461 7.314 9.741 530 H THR 71 H THR 71 -8.830 9.335 7.650 531 HA THR 71 HA THR 71 -9.818 11.888 8.664 532 HB THR 71 1HB THR 71 -10.003 12.436 6.253 533 HG1 THR 71 HG1 THR 71 -10.460 10.373 5.459 534 1HG2 THR 71 1HG2 THR 71 -7.357 11.207 7.153 535 2HG2 THR 71 2HG2 THR 71 -7.555 12.223 5.720 536 H ALA 72 H ALA 72 -11.139 9.033 6.910 537 HA ALA 72 HA ALA 72 -13.786 10.218 6.748 538 1HB ALA 72 1HB ALA 72 -12.705 7.514 5.876 539 2HB ALA 72 2HB ALA 72 -14.349 8.129 5.593 540 3HB ALA 72 3HB ALA 72 -12.953 8.960 4.882 541 H TYR 73 H TYR 73 -13.434 6.810 7.599 542 HA TYR 73 HA TYR 73 -14.227 5.544 9.206 543 1HB TYR 73 1HB TYR 73 -12.513 7.127 10.385 544 2HB TYR 73 2HB TYR 73 -13.905 7.841 11.176 545 HD1 TYR 73 HD1 TYR 73 -14.812 4.424 11.025 546 HD2 TYR 73 HD2 TYR 73 -11.924 7.048 12.886 547 HE1 TYR 73 HE1 TYR 73 -14.468 2.782 12.813 548 HE2 TYR 73 HE2 TYR 73 -11.588 5.380 14.683 549 HH TYR 73 HH TYR 73 -12.185 3.323 15.522 550 H LYS 74 H LYS 74 -15.748 6.500 11.636 551 HA LYS 74 HA LYS 74 -17.802 6.789 12.365 552 1HB LYS 74 1HB LYS 74 -18.173 8.585 9.934 553 2HB LYS 74 2HB LYS 74 -19.285 8.429 11.308 554 1HG LYS 74 1HG LYS 74 -17.615 9.241 12.855 555 2HG LYS 74 2HG LYS 74 -16.360 9.208 11.610 556 1HD LYS 74 1HD LYS 74 -17.068 11.455 12.022 557 2HD LYS 74 2HD LYS 74 -17.456 11.004 10.360 558 1HE LYS 74 1HE LYS 74 -19.543 10.799 12.569 559 2HE LYS 74 2HE LYS 74 -19.172 12.351 11.803 560 1HZ LYS 74 1HZ LYS 74 -19.705 11.430 9.696 561 2HZ LYS 74 2HZ LYS 74 -20.078 9.970 10.359 562 3HZ LYS 74 3HZ LYS 74 -20.986 11.294 10.723 563 H GLU 75 H GLU 75 -18.755 6.796 8.904 564 HA GLU 75 HA GLU 75 -20.599 4.560 9.388 565 1HB GLU 75 1HB GLU 75 -20.071 6.349 6.979 566 2HB GLU 75 2HB GLU 75 -21.235 5.018 6.995 567 1HG GLU 75 1HG GLU 75 -22.447 7.026 7.367 568 2HG GLU 75 2HG GLU 75 -22.474 6.060 8.844 569 H PHE 76 H PHE 76 -19.428 4.427 6.212 570 HA PHE 76 HA PHE 76 -18.134 3.032 5.039 571 1HB PHE 76 1HB PHE 76 -16.300 3.730 7.344 572 2HB PHE 76 2HB PHE 76 -15.801 2.639 6.063 573 HD1 PHE 76 HD1 PHE 76 -17.633 5.971 6.184 574 HD2 PHE 76 HD2 PHE 76 -14.432 3.619 4.476 575 HE1 PHE 76 HE1 PHE 76 -17.189 7.750 4.554 576 HE2 PHE 76 HE2 PHE 76 -13.870 5.511 2.981 577 HZ PHE 76 1HZ PHE 76 -15.284 7.550 2.967 578 H ARG 77 H ARG 77 -19.641 1.326 5.182 579 HA ARG 77 HA ARG 77 -19.369 -0.858 7.031 580 1HB ARG 77 1HB ARG 77 -21.411 -0.481 5.827 581 2HB ARG 77 2HB ARG 77 -20.610 -0.642 4.258 582 1HG ARG 77 1HG ARG 77 -20.128 -2.993 4.666 583 2HG ARG 77 2HG ARG 77 -20.708 -2.874 6.337 584 1HD ARG 77 1HD ARG 77 -22.421 -2.443 3.853 585 2HD ARG 77 2HD ARG 77 -22.323 -3.946 4.767 586 HE ARG 77 HE ARG 77 -23.271 -2.920 6.698 587 1HH1 ARG 77 1HH1 ARG 77 -23.655 -0.924 3.747 588 2HH1 ARG 77 2HH1 ARG 77 -24.968 -0.008 4.445 589 1HH2 ARG 77 1HH2 ARG 77 -24.953 -1.686 7.534 590 2HH2 ARG 77 2HH2 ARG 77 -25.697 -0.428 6.574 591 H VAL 78 H VAL 78 -18.317 -0.377 3.621 592 HA VAL 78 HA VAL 78 -16.762 -1.314 2.334 593 HB VAL 78 HB VAL 78 -15.187 -1.937 4.862 594 1HG1 VAL 78 1HG1 VAL 78 -14.337 -1.480 1.965 595 2HG1 VAL 78 2HG1 VAL 78 -13.252 -1.752 3.341 596 3HG1 VAL 78 3HG1 VAL 78 -14.331 -3.045 2.804 597 1HG2 VAL 78 1HG2 VAL 78 -15.267 0.590 3.155 598 2HG2 VAL 78 2HG2 VAL 78 -15.782 0.452 4.849 599 3HG2 VAL 78 3HG2 VAL 78 -14.079 0.247 4.428 600 H VAL 79 H VAL 79 -18.371 -2.820 1.733 601 HA VAL 79 HA VAL 79 -18.981 -5.140 3.141 602 HB VAL 79 HB VAL 79 -20.385 -4.035 1.467 603 1HG1 VAL 79 1HG1 VAL 79 -18.636 -3.696 -0.322 604 2HG1 VAL 79 2HG1 VAL 79 -18.731 -5.429 -0.685 605 3HG1 VAL 79 3HG1 VAL 79 -20.151 -4.407 -0.906 606 1HG2 VAL 79 1HG2 VAL 79 -20.901 -6.310 2.234 607 2HG2 VAL 79 2HG2 VAL 79 -21.406 -6.054 0.554 608 3HG2 VAL 79 3HG2 VAL 79 -19.943 -6.992 0.904 609 H GLU 80 H GLU 80 -16.633 -4.715 0.468 610 HA GLU 80 HA GLU 80 -15.386 -7.334 1.151 611 1HB GLU 80 1HB GLU 80 -16.263 -6.381 -1.610 612 2HB GLU 80 2HB GLU 80 -15.131 -7.712 -1.339 613 1HG GLU 80 1HG GLU 80 -16.832 -8.957 -0.075 614 2HG GLU 80 2HG GLU 80 -18.001 -7.657 -0.338 615 H LEU 81 H LEU 81 -13.302 -7.574 0.016 616 HA LEU 81 HA LEU 81 -11.953 -5.244 -0.992 617 1HB LEU 81 1HB LEU 81 -10.079 -5.261 0.600 618 2HB LEU 81 2HB LEU 81 -11.606 -4.820 1.352 619 HG LEU 81 HG LEU 81 -11.696 -7.397 2.033 620 1HD1 LEU 81 1HD1 LEU 81 -8.695 -6.905 1.702 621 2HD1 LEU 81 2HD1 LEU 81 -9.434 -8.268 2.563 622 3HD1 LEU 81 3HD1 LEU 81 -9.641 -8.122 0.823 623 1HD2 LEU 81 1HD2 LEU 81 -11.624 -5.496 3.590 624 2HD2 LEU 81 2HD2 LEU 81 -10.574 -6.810 4.140 625 3HD2 LEU 81 3HD2 LEU 81 -9.864 -5.370 3.375 626 H ASP 82 H ASP 82 -9.816 -5.822 -1.884 627 HA ASP 82 HA ASP 82 -10.074 -8.317 -3.287 628 1HB ASP 82 1HB ASP 82 -7.999 -6.112 -3.341 629 2HB ASP 82 2HB ASP 82 -7.886 -7.582 -4.318 630 HA PRO 83 HA PRO 83 -7.667 -10.472 -0.097 631 1HB PRO 83 1HB PRO 83 -7.659 -12.986 -1.136 632 2HB PRO 83 2HB PRO 83 -9.131 -12.234 -0.457 633 1HG PRO 83 1HG PRO 83 -8.320 -12.377 -3.372 634 2HG PRO 83 2HG PRO 83 -9.897 -12.805 -2.650 635 1HD PRO 83 1HD PRO 83 -9.422 -10.381 -3.791 636 2HD PRO 83 2HD PRO 83 -10.474 -10.535 -2.350 637 H SER 84 H SER 84 -6.937 -10.583 -3.587 638 HA SER 84 HA SER 84 -4.113 -11.276 -3.212 639 1HB SER 84 1HB SER 84 -5.733 -10.467 -5.664 640 2HB SER 84 2HB SER 84 -4.044 -11.020 -5.667 641 HG SER 84 HG SER 84 -6.297 -12.482 -4.757 642 H ALA 85 H ALA 85 -3.968 -9.382 -1.632 643 HA ALA 85 HA ALA 85 -3.811 -6.691 -2.667 644 1HB ALA 85 1HB ALA 85 -2.592 -7.980 -0.187 645 2HB ALA 85 2HB ALA 85 -2.652 -6.246 -0.520 646 3HB ALA 85 3HB ALA 85 -4.161 -7.157 -0.283 647 H LYS 86 H LYS 86 -1.742 -5.468 -2.783 648 HA LYS 86 HA LYS 86 0.538 -7.096 -3.755 649 1HB LYS 86 1HB LYS 86 0.600 -5.939 -5.854 650 2HB LYS 86 2HB LYS 86 -0.977 -6.718 -5.649 651 1HG LYS 86 1HG LYS 86 -1.847 -4.439 -4.822 652 2HG LYS 86 2HG LYS 86 -0.315 -3.754 -5.386 653 1HD LYS 86 1HD LYS 86 -2.437 -5.180 -7.047 654 2HD LYS 86 2HD LYS 86 -2.033 -3.456 -7.063 655 1HE LYS 86 1HE LYS 86 0.296 -4.105 -7.853 656 2HE LYS 86 2HE LYS 86 -0.297 -5.764 -8.042 657 1HZ LYS 86 1HZ LYS 86 -1.932 -4.938 -9.562 658 2HZ LYS 86 2HZ LYS 86 -1.374 -3.396 -9.387 659 3HZ LYS 86 3HZ LYS 86 -0.410 -4.548 -10.069 660 H ILE 87 H ILE 87 2.473 -6.186 -3.750 661 HA ILE 87 HA ILE 87 2.874 -3.514 -2.488 662 HB ILE 87 HB ILE 87 4.454 -6.091 -2.061 663 1HG1 ILE 87 1HG1 ILE 87 3.701 -5.316 0.425 664 2HG1 ILE 87 2HG1 ILE 87 2.312 -4.690 -0.508 665 1HG2 ILE 87 1HG2 ILE 87 4.881 -3.284 -0.965 666 2HG2 ILE 87 2HG2 ILE 87 5.751 -4.744 -0.446 667 3HG2 ILE 87 3HG2 ILE 87 5.937 -4.147 -2.094 668 1HD1 ILE 87 1HD1 ILE 87 1.937 -7.008 -1.386 669 2HD1 ILE 87 2HD1 ILE 87 3.351 -7.565 -0.464 670 3HD1 ILE 87 3HD1 ILE 87 1.910 -6.961 0.376 671 H GLU 88 H GLU 88 3.262 -2.383 -4.322 672 HA GLU 88 HA GLU 88 4.891 -3.491 -6.503 673 1HB GLU 88 1HB GLU 88 3.392 -0.872 -6.203 674 2HB GLU 88 2HB GLU 88 4.243 -1.419 -7.655 675 1HG GLU 88 1HG GLU 88 2.744 -3.378 -7.790 676 2HG GLU 88 2HG GLU 88 1.900 -2.847 -6.326 677 H VAL 89 H VAL 89 6.759 -3.673 -4.978 678 HA VAL 89 HA VAL 89 8.008 -1.334 -3.963 679 HB VAL 89 HB VAL 89 8.351 -3.460 -2.937 680 1HG1 VAL 89 1HG1 VAL 89 8.381 -4.954 -4.946 681 2HG1 VAL 89 2HG1 VAL 89 10.007 -4.348 -5.336 682 3HG1 VAL 89 3HG1 VAL 89 9.725 -5.230 -3.833 683 1HG2 VAL 89 1HG2 VAL 89 10.053 -1.684 -2.708 684 2HG2 VAL 89 2HG2 VAL 89 10.764 -3.306 -2.584 685 3HG2 VAL 89 3HG2 VAL 89 10.959 -2.362 -4.070 686 H THR 90 H THR 90 8.911 0.231 -5.025 687 HA THR 90 HA THR 90 9.928 -0.169 -7.789 688 HB THR 90 HB THR 90 9.095 2.360 -6.317 689 HG1 THR 90 HG1 THR 90 7.269 2.166 -7.653 690 1HG2 THR 90 1HG2 THR 90 10.710 2.772 -8.157 691 2HG2 THR 90 2HG2 THR 90 9.715 1.797 -9.256 692 H TYR 91 H TYR 91 11.961 -0.999 -7.323 693 HA TYR 91 HA TYR 91 13.775 0.424 -5.512 694 1HB TYR 91 1HB TYR 91 15.425 -1.302 -6.509 695 2HB TYR 91 2HB TYR 91 14.214 -1.741 -5.321 696 HD1 TYR 91 HD1 TYR 91 12.393 -3.222 -5.767 697 HD2 TYR 91 HD2 TYR 91 15.201 -2.171 -8.859 698 HE1 TYR 91 HE1 TYR 91 11.813 -5.288 -6.992 699 HE2 TYR 91 HE2 TYR 91 14.628 -4.252 -10.078 700 HH TYR 91 HH TYR 91 13.358 -6.162 -10.107 701 H TYR 92 H TYR 92 14.042 2.459 -6.281 702 HA TYR 92 HA TYR 92 15.229 2.827 -8.984 703 1HB TYR 92 1HB TYR 92 14.588 5.131 -8.806 704 2HB TYR 92 2HB TYR 92 13.189 4.095 -8.585 705 HD1 TYR 92 HD1 TYR 92 15.452 6.518 -6.945 706 HD2 TYR 92 HD2 TYR 92 11.928 4.082 -6.515 707 HE1 TYR 92 HE1 TYR 92 14.797 7.806 -4.934 708 HE2 TYR 92 HE2 TYR 92 11.357 5.269 -4.420 709 HH TYR 92 HH TYR 92 13.391 7.919 -3.118 710 H ASP 93 H ASP 93 17.296 3.340 -9.174 711 HA ASP 93 HA ASP 93 18.657 5.061 -7.322 712 1HB ASP 93 1HB ASP 93 18.876 2.819 -6.160 713 2HB ASP 93 2HB ASP 93 19.772 2.221 -7.551 714 H LYS 94 H LYS 94 18.953 6.341 -9.135 715 HA LYS 94 HA LYS 94 19.229 5.438 -11.716 716 1HB LYS 94 1HB LYS 94 19.510 7.651 -12.358 717 2HB LYS 94 2HB LYS 94 18.582 7.709 -10.866 718 1HG LYS 94 1HG LYS 94 20.050 9.381 -10.402 719 2HG LYS 94 2HG LYS 94 21.018 8.052 -9.765 720 1HD LYS 94 1HD LYS 94 22.272 7.979 -11.961 721 2HD LYS 94 2HD LYS 94 21.196 9.227 -12.594 722 1HE LYS 94 1HE LYS 94 23.289 10.223 -11.972 723 2HE LYS 94 2HE LYS 94 22.034 10.809 -10.872 724 1HZ LYS 94 1HZ LYS 94 23.958 8.656 -10.310 725 2HZ LYS 94 2HZ LYS 94 24.043 10.196 -9.726 726 3HZ LYS 94 3HZ LYS 94 22.808 9.206 -9.267 727 H ASN 95 H ASN 95 21.798 5.781 -9.357 728 HA ASN 95 HA ASN 95 24.066 5.988 -10.977 729 1HB ASN 95 1HB ASN 95 23.699 4.548 -8.318 730 2HB ASN 95 2HB ASN 95 25.250 4.935 -9.062 731 1HD2 ASN 95 1HD2 ASN 95 23.032 7.936 -7.274 732 2HD2 ASN 95 2HD2 ASN 95 22.293 6.397 -7.659 733 H LYS 96 H LYS 96 22.225 3.038 -10.025 734 HA LYS 96 HA LYS 96 23.737 1.480 -12.039 735 1HB LYS 96 1HB LYS 96 24.263 -0.265 -10.440 736 2HB LYS 96 2HB LYS 96 25.057 1.271 -10.075 737 1HG LYS 96 1HG LYS 96 23.171 1.692 -8.364 738 2HG LYS 96 2HG LYS 96 22.745 -0.015 -8.576 739 1HD LYS 96 1HD LYS 96 25.462 1.065 -7.699 740 2HD LYS 96 2HD LYS 96 24.222 0.386 -6.639 741 1HE LYS 96 1HE LYS 96 24.386 -1.782 -7.924 742 2HE LYS 96 2HE LYS 96 25.754 -1.096 -8.820 743 1HZ LYS 96 1HZ LYS 96 26.899 -0.819 -6.756 744 2HZ LYS 96 2HZ LYS 96 25.637 -1.463 -5.916 745 3HZ LYS 96 3HZ LYS 96 26.479 -2.397 -6.979 746 H LYS 97 H LYS 97 21.120 1.148 -9.538 747 HA LYS 97 HA LYS 97 20.081 -1.129 -10.894 748 1HB LYS 97 1HB LYS 97 19.900 -0.833 -8.487 749 2HB LYS 97 2HB LYS 97 18.874 0.586 -8.716 750 1HG LYS 97 1HG LYS 97 17.555 -1.274 -8.077 751 2HG LYS 97 2HG LYS 97 17.091 -0.770 -9.686 752 1HD LYS 97 1HD LYS 97 19.080 -3.046 -9.280 753 2HD LYS 97 2HD LYS 97 17.364 -3.321 -8.998 754 1HE LYS 97 1HE LYS 97 18.651 -2.604 -11.653 755 2HE LYS 97 2HE LYS 97 17.863 -4.099 -11.173 756 1HZ LYS 97 1HZ LYS 97 15.811 -2.875 -10.967 757 2HZ LYS 97 2HZ LYS 97 16.549 -1.504 -11.506 758 3HZ LYS 97 3HZ LYS 97 16.423 -2.814 -12.495 759 H LYS 98 H LYS 98 18.611 2.108 -10.363 760 HA LYS 98 HA LYS 98 17.373 3.458 -11.623 761 1HB LYS 98 1HB LYS 98 18.680 2.594 -13.612 762 2HB LYS 98 2HB LYS 98 17.341 1.469 -13.924 763 1HG LYS 98 1HG LYS 98 15.784 3.344 -14.190 764 2HG LYS 98 2HG LYS 98 17.087 4.497 -13.823 765 1HD LYS 98 1HD LYS 98 18.338 3.702 -15.808 766 2HD LYS 98 2HD LYS 98 17.063 2.509 -16.142 767 1HE LYS 98 1HE LYS 98 15.421 4.350 -16.434 768 2HE LYS 98 2HE LYS 98 16.704 5.539 -16.125 769 1HZ LYS 98 1HZ LYS 98 16.652 3.601 -18.328 770 2HZ LYS 98 2HZ LYS 98 16.328 5.214 -18.449 771 3HZ LYS 98 3HZ LYS 98 17.845 4.706 -18.046 772 H GLU 99 H GLU 99 15.161 3.796 -12.028 773 HA GLU 99 HA GLU 99 13.413 2.537 -10.347 774 1HB GLU 99 1HB GLU 99 13.161 4.775 -11.347 775 2HB GLU 99 2HB GLU 99 12.759 4.040 -12.911 776 1HG GLU 99 1HG GLU 99 10.738 3.007 -11.915 777 2HG GLU 99 2HG GLU 99 11.214 3.622 -10.321 778 H GLU 100 H GLU 100 12.277 0.717 -10.295 779 HA GLU 100 HA GLU 100 11.247 -0.564 -12.707 780 1HB GLU 100 1HB GLU 100 13.555 -1.423 -12.613 781 2HB GLU 100 2HB GLU 100 13.292 -1.993 -10.959 782 1HG GLU 100 1HG GLU 100 11.484 -3.506 -11.775 783 2HG GLU 100 2HG GLU 100 11.720 -2.894 -13.421 784 H THR 101 H THR 101 9.207 -0.451 -11.977 785 HA THR 101 HA THR 101 8.409 -0.968 -9.239 786 HB THR 101 HB THR 101 6.770 -0.572 -11.771 787 HG1 THR 101 HG1 THR 101 6.646 1.549 -10.965 788 1HG2 THR 101 1HG2 THR 101 4.985 0.092 -10.171 789 2HG2 THR 101 2HG2 THR 101 5.442 -1.603 -9.940 790 H LYS 102 H LYS 102 8.864 -3.044 -8.635 791 HA LYS 102 HA LYS 102 8.066 -5.338 -10.306 792 1HB LYS 102 1HB LYS 102 10.267 -5.087 -9.107 793 2HB LYS 102 2HB LYS 102 9.413 -5.322 -7.581 794 1HG LYS 102 1HG LYS 102 9.573 -7.278 -9.927 795 2HG LYS 102 2HG LYS 102 10.482 -7.367 -8.412 796 1HD LYS 102 1HD LYS 102 8.270 -7.578 -7.182 797 2HD LYS 102 2HD LYS 102 7.489 -7.753 -8.774 798 1HE LYS 102 1HE LYS 102 8.956 -9.684 -9.280 799 2HE LYS 102 2HE LYS 102 9.664 -9.557 -7.656 800 1HZ LYS 102 1HZ LYS 102 6.836 -10.050 -8.258 801 2HZ LYS 102 2HZ LYS 102 7.928 -11.177 -7.748 802 3HZ LYS 102 3HZ LYS 102 7.495 -9.937 -6.751 803 H SER 103 H SER 103 5.929 -5.785 -10.197 804 HA SER 103 HA SER 103 4.297 -5.183 -7.854 805 1HB SER 103 1HB SER 103 2.451 -5.957 -9.299 806 2HB SER 103 2HB SER 103 3.435 -4.683 -10.037 807 HG SER 103 HG SER 103 3.673 -7.460 -10.550 808 H PHE 104 H PHE 104 5.490 -6.607 -6.376 809 HA PHE 104 HA PHE 104 5.115 -9.471 -6.527 810 1HB PHE 104 1HB PHE 104 6.922 -8.545 -5.217 811 2HB PHE 104 2HB PHE 104 5.813 -7.561 -4.279 812 HD1 PHE 104 HD1 PHE 104 6.866 -11.088 -4.943 813 HD2 PHE 104 HD2 PHE 104 4.700 -8.424 -2.342 814 HE1 PHE 104 HE1 PHE 104 6.584 -12.920 -3.295 815 HE2 PHE 104 HE2 PHE 104 4.390 -10.263 -0.714 816 HZ PHE 104 1HZ PHE 104 5.337 -12.513 -1.182 817 HA PRO 105 HA PRO 105 0.799 -9.014 -5.149 818 1HB PRO 105 1HB PRO 105 -0.051 -11.566 -5.263 819 2HB PRO 105 2HB PRO 105 0.539 -10.730 -6.710 820 1HG PRO 105 1HG PRO 105 2.188 -12.543 -4.918 821 2HG PRO 105 2HG PRO 105 1.922 -12.702 -6.680 822 1HD PRO 105 1HD PRO 105 4.093 -11.398 -5.652 823 2HD PRO 105 2HD PRO 105 3.285 -10.833 -7.146 824 H ILE 106 H ILE 106 0.346 -11.816 -3.437 825 HA ILE 106 HA ILE 106 1.998 -11.384 -1.174 826 HB ILE 106 HB ILE 106 0.227 -9.541 -0.905 827 1HG1 ILE 106 1HG1 ILE 106 -0.174 -9.840 1.425 828 2HG1 ILE 106 2HG1 ILE 106 0.179 -11.599 1.326 829 1HG2 ILE 106 1HG2 ILE 106 -1.707 -10.866 -1.786 830 2HG2 ILE 106 2HG2 ILE 106 -1.658 -11.867 -0.320 831 3HG2 ILE 106 3HG2 ILE 106 -2.012 -10.148 -0.194 832 1HD1 ILE 106 1HD1 ILE 106 2.220 -9.451 0.606 833 2HD1 ILE 106 2HD1 ILE 106 2.015 -10.065 2.251 834 3HD1 ILE 106 3HD1 ILE 106 2.520 -11.166 0.970 835 H THR 107 H THR 107 1.763 -13.046 0.418 836 HA THR 107 HA THR 107 0.102 -15.397 -0.394 837 HB THR 107 1HB THR 107 1.660 -16.719 0.980 838 HG1 THR 107 HG1 THR 107 2.451 -15.016 2.273 839 1HG2 THR 107 1HG2 THR 107 3.524 -16.730 -0.607 840 2HG2 THR 107 2HG2 THR 107 1.988 -16.538 -1.475 841 H GLU 108 H GLU 108 -1.625 -15.704 0.825 842 HA GLU 108 HA GLU 108 -2.285 -14.254 3.180 843 1HB GLU 108 1HB GLU 108 -3.900 -15.210 1.623 844 2HB GLU 108 2HB GLU 108 -3.389 -16.853 2.008 845 1HG GLU 108 1HG GLU 108 -4.561 -14.899 4.044 846 2HG GLU 108 2HG GLU 108 -5.543 -16.013 3.089 847 H LYS 109 H LYS 109 -0.717 -17.390 2.621 848 HA LYS 109 HA LYS 109 -0.855 -18.491 5.171 849 1HB LYS 109 1HB LYS 109 -0.134 -19.625 3.091 850 2HB LYS 109 2HB LYS 109 1.403 -18.743 3.138 851 1HG LYS 109 1HG LYS 109 1.941 -19.805 5.320 852 2HG LYS 109 2HG LYS 109 0.354 -20.607 5.317 853 1HD LYS 109 1HD LYS 109 0.984 -21.812 3.223 854 2HD LYS 109 2HD LYS 109 2.557 -20.994 3.239 855 1HE LYS 109 1HE LYS 109 2.819 -23.230 4.132 856 2HE LYS 109 2HE LYS 109 3.070 -22.059 5.439 857 1HZ LYS 109 1HZ LYS 109 0.594 -23.556 4.922 858 2HZ LYS 109 2HZ LYS 109 1.697 -23.900 6.098 859 3HZ LYS 109 3HZ LYS 109 0.837 -22.497 6.163 860 H GLY 110 H GLY 110 1.885 -16.517 3.797 861 1HA GLY 110 1HA GLY 110 2.240 -14.878 5.997 862 2HA GLY 110 2HA GLY 110 3.223 -16.307 6.353 863 H PHE 111 H PHE 111 3.792 -13.398 5.598 864 HA PHE 111 HA PHE 111 6.244 -13.954 4.169 865 1HB PHE 111 1HB PHE 111 4.864 -13.694 2.242 866 2HB PHE 111 2HB PHE 111 4.048 -12.289 2.883 867 HD1 PHE 111 HD1 PHE 111 7.358 -13.560 1.674 868 HD2 PHE 111 HD2 PHE 111 4.872 -10.098 2.334 869 HE1 PHE 111 HE1 PHE 111 8.959 -12.157 0.398 870 HE2 PHE 111 HE2 PHE 111 6.493 -8.699 1.094 871 HZ PHE 111 1HZ PHE 111 8.519 -9.732 0.089 872 H VAL 112 H VAL 112 7.593 -11.906 4.098 873 HA VAL 112 HA VAL 112 7.050 -10.073 6.390 874 HB VAL 112 HB VAL 112 9.528 -11.793 5.892 875 1HG1 VAL 112 1HG1 VAL 112 9.027 -9.665 8.005 876 2HG1 VAL 112 2HG1 VAL 112 10.393 -10.795 8.008 877 3HG1 VAL 112 3HG1 VAL 112 10.253 -9.605 6.718 878 1HG2 VAL 112 1HG2 VAL 112 7.518 -11.777 8.188 879 2HG2 VAL 112 2HG2 VAL 112 7.744 -13.077 6.997 880 3HG2 VAL 112 3HG2 VAL 112 9.025 -12.712 8.152 881 H VAL 113 H VAL 113 8.015 -8.021 6.161 882 HA VAL 113 HA VAL 113 8.545 -7.084 3.534 883 HB VAL 113 HB VAL 113 9.269 -5.784 6.187 884 1HG1 VAL 113 1HG1 VAL 113 8.943 -4.619 3.379 885 2HG1 VAL 113 2HG1 VAL 113 9.237 -3.685 4.857 886 3HG1 VAL 113 3HG1 VAL 113 10.481 -4.783 4.251 887 1HG2 VAL 113 1HG2 VAL 113 6.781 -5.560 4.444 888 2HG2 VAL 113 2HG2 VAL 113 6.881 -6.156 6.119 889 3HG2 VAL 113 3HG2 VAL 113 7.184 -4.456 5.775 890 HA PRO 114 HA PRO 114 12.672 -8.893 3.675 891 1HB PRO 114 1HB PRO 114 13.438 -8.611 1.087 892 2HB PRO 114 2HB PRO 114 12.045 -9.635 1.539 893 1HG PRO 114 1HG PRO 114 11.967 -6.745 0.610 894 2HG PRO 114 2HG PRO 114 11.064 -8.131 -0.074 895 1HD PRO 114 1HD PRO 114 9.965 -6.470 1.787 896 2HD PRO 114 2HD PRO 114 9.626 -8.226 1.794 897 H ASP 115 H ASP 115 14.951 -8.287 2.959 898 HA ASP 115 HA ASP 115 15.697 -5.610 3.814 899 1HB ASP 115 1HB ASP 115 17.967 -6.417 3.515 900 2HB ASP 115 2HB ASP 115 17.009 -7.622 4.365 901 H LEU 116 H LEU 116 17.806 -5.019 2.048 902 HA LEU 116 HA LEU 116 16.589 -4.670 -0.615 903 1HB LEU 116 1HB LEU 116 16.686 -2.326 -0.610 904 2HB LEU 116 2HB LEU 116 15.748 -2.809 0.786 905 HG LEU 116 HG LEU 116 18.674 -1.915 0.908 906 1HD1 LEU 116 1HD1 LEU 116 17.199 -0.138 0.096 907 2HD1 LEU 116 2HD1 LEU 116 16.106 -0.386 1.476 908 3HD1 LEU 116 3HD1 LEU 116 17.760 0.211 1.739 909 1HD2 LEU 116 1HD2 LEU 116 16.594 -2.432 3.081 910 2HD2 LEU 116 2HD2 LEU 116 18.176 -3.228 2.887 911 3HD2 LEU 116 3HD2 LEU 116 18.100 -1.529 3.338 912 H SER 117 H SER 117 18.884 -6.193 0.437 913 HA SER 117 HA SER 117 20.971 -6.726 -0.181 914 1HB SER 117 1HB SER 117 19.664 -7.103 -2.213 915 2HB SER 117 2HB SER 117 20.016 -5.468 -2.786 916 HG SER 117 HG SER 117 21.913 -7.513 -2.224 917 H GLU 118 H GLU 118 21.730 -4.382 -2.537 918 HA GLU 118 HA GLU 118 22.870 -2.385 -0.781 919 1HB GLU 118 1HB GLU 118 25.216 -2.776 -1.364 920 2HB GLU 118 2HB GLU 118 24.517 -4.079 -0.418 921 1HG GLU 118 1HG GLU 118 25.884 -5.120 -2.017 922 2HG GLU 118 2HG GLU 118 24.224 -5.433 -2.526 923 H HIS 119 H HIS 119 22.448 -3.744 -4.031 924 HA HIS 119 HA HIS 119 23.434 -1.571 -5.528 925 1HB HIS 119 1HB HIS 119 22.018 -2.485 -7.352 926 2HB HIS 119 2HB HIS 119 23.042 -3.685 -6.563 927 HD1 HIS 119 HD1 HIS 119 21.814 -5.691 -5.334 928 HD2 HIS 119 HD2 HIS 119 19.314 -2.691 -6.893 929 HE1 HIS 119 HE1 HIS 119 19.428 -6.606 -5.254 930 H ILE 120 H ILE 120 20.262 -2.179 -4.092 931 HA ILE 120 HA ILE 120 19.378 0.585 -4.724 932 HB ILE 120 HB ILE 120 17.822 -1.106 -5.465 933 1HG1 ILE 120 1HG1 ILE 120 15.798 -0.506 -4.153 934 2HG1 ILE 120 2HG1 ILE 120 16.851 0.259 -2.917 935 1HG2 ILE 120 1HG2 ILE 120 18.454 -2.980 -3.906 936 2HG2 ILE 120 2HG2 ILE 120 17.609 -2.104 -2.616 937 3HG2 ILE 120 3HG2 ILE 120 16.716 -2.696 -4.021 938 1HD1 ILE 120 1HD1 ILE 120 16.802 1.065 -5.863 939 2HD1 ILE 120 2HD1 ILE 120 15.782 1.818 -4.620 940 3HD1 ILE 120 3HD1 ILE 120 17.541 1.946 -4.503 941 H LYS 121 H LYS 121 19.137 2.016 -3.079 942 HA LYS 121 HA LYS 121 19.244 1.108 -0.259 943 1HB LYS 121 1HB LYS 121 20.859 2.791 0.330 944 2HB LYS 121 2HB LYS 121 21.550 1.692 -0.870 945 1HG LYS 121 1HG LYS 121 21.103 3.339 -2.664 946 2HG LYS 121 2HG LYS 121 20.427 4.474 -1.488 947 1HD LYS 121 1HD LYS 121 23.285 3.411 -1.428 948 2HD LYS 121 2HD LYS 121 22.783 4.944 -2.157 949 1HE LYS 121 1HE LYS 121 21.895 5.692 0.061 950 2HE LYS 121 2HE LYS 121 22.547 4.211 0.793 951 1HZ LYS 121 1HZ LYS 121 24.110 6.259 -0.596 952 2HZ LYS 121 2HZ LYS 121 24.027 6.036 1.036 953 3HZ LYS 121 3HZ LYS 121 24.711 4.879 0.079 954 H ASN 122 H ASN 122 17.307 2.373 -2.421 955 HA ASN 122 HA ASN 122 15.968 4.210 -0.615 956 1HB ASN 122 1HB ASN 122 16.076 6.135 -2.092 957 2HB ASN 122 2HB ASN 122 17.662 5.699 -1.470 958 1HD2 ASN 122 1HD2 ASN 122 18.900 4.574 -4.737 959 2HD2 ASN 122 2HD2 ASN 122 18.917 4.049 -3.070 960 HA PRO 123 HA PRO 123 13.448 1.843 -3.773 961 1HB PRO 123 1HB PRO 123 12.077 0.114 -2.164 962 2HB PRO 123 2HB PRO 123 13.775 -0.171 -2.626 963 1HG PRO 123 1HG PRO 123 12.779 1.174 -0.090 964 2HG PRO 123 2HG PRO 123 13.884 -0.232 -0.214 965 1HD PRO 123 1HD PRO 123 14.883 2.255 0.054 966 2HD PRO 123 2HD PRO 123 15.627 1.098 -1.078 967 H GLY 124 H GLY 124 10.909 1.384 -3.540 968 1HA GLY 124 1HA GLY 124 9.508 3.609 -2.164 969 2HA GLY 124 2HA GLY 124 9.450 3.496 -3.938 970 H PHE 125 H PHE 125 8.849 1.676 -0.929 971 HA PHE 125 HA PHE 125 7.281 -0.432 -2.081 972 1HB PHE 125 1HB PHE 125 7.670 0.648 0.712 973 2HB PHE 125 2HB PHE 125 6.482 -0.600 0.348 974 HD1 PHE 125 HD1 PHE 125 10.159 0.134 -0.131 975 HD2 PHE 125 HD2 PHE 125 7.091 -2.846 0.432 976 HE1 PHE 125 HE1 PHE 125 11.891 -1.626 0.066 977 HE2 PHE 125 HE2 PHE 125 8.828 -4.600 0.597 978 HZ PHE 125 1HZ PHE 125 11.234 -3.991 0.441 979 H ASN 126 H ASN 126 5.361 -0.240 -3.001 980 HA ASN 126 HA ASN 126 3.452 1.910 -2.157 981 1HB ASN 126 1HB ASN 126 3.986 0.736 -4.900 982 2HB ASN 126 2HB ASN 126 2.698 1.884 -4.515 983 1HD2 ASN 126 1HD2 ASN 126 6.144 3.373 -5.723 984 2HD2 ASN 126 2HD2 ASN 126 5.475 1.805 -6.118 985 H LEU 127 H LEU 127 2.392 0.597 -0.659 986 HA LEU 127 HA LEU 127 1.345 -2.021 -1.488 987 1HB LEU 127 1HB LEU 127 1.051 -0.527 1.147 988 2HB LEU 127 2HB LEU 127 0.489 -2.152 0.766 989 HG LEU 127 HG LEU 127 2.986 -2.632 0.138 990 1HD1 LEU 127 1HD1 LEU 127 3.331 -0.287 2.046 991 2HD1 LEU 127 2HD1 LEU 127 4.592 -1.449 1.602 992 3HD1 LEU 127 3HD1 LEU 127 3.941 -0.361 0.380 993 1HD2 LEU 127 1HD2 LEU 127 2.074 -2.291 3.022 994 2HD2 LEU 127 2HD2 LEU 127 1.769 -3.697 1.980 995 3HD2 LEU 127 3HD2 LEU 127 3.423 -3.309 2.469 996 H ILE 128 H ILE 128 0.195 -0.890 -3.301 997 HA ILE 128 HA ILE 128 -2.233 0.605 -2.533 998 HB ILE 128 HB ILE 128 -0.952 0.173 -5.237 999 1HG1 ILE 128 1HG1 ILE 128 -0.978 2.581 -3.345 1000 2HG1 ILE 128 2HG1 ILE 128 0.419 1.512 -3.661 1001 1HG2 ILE 128 1HG2 ILE 128 -3.449 0.561 -5.314 1002 2HG2 ILE 128 2HG2 ILE 128 -3.219 2.030 -4.353 1003 3HG2 ILE 128 3HG2 ILE 128 -2.546 1.903 -5.993 1004 1HD1 ILE 128 1HD1 ILE 128 0.313 2.202 -6.086 1005 2HD1 ILE 128 2HD1 ILE 128 -0.930 3.405 -5.651 1006 3HD1 ILE 128 3HD1 ILE 128 0.691 3.521 -4.958 1007 H THR 129 H THR 129 -3.449 -1.037 -1.649 1008 HA THR 129 HA THR 129 -4.326 -3.308 -3.337 1009 HB THR 129 1HB THR 129 -4.921 -2.567 -0.436 1010 HG1 THR 129 HG1 THR 129 -2.766 -3.093 -0.818 1011 1HG2 THR 129 1HG2 THR 129 -5.557 -5.081 -2.030 1012 2HG2 THR 129 2HG2 THR 129 -5.543 -4.997 -0.257 1013 H LYS 130 H LYS 130 -6.799 -3.648 -3.305 1014 HA LYS 130 HA LYS 130 -8.240 -1.060 -3.774 1015 1HB LYS 130 1HB LYS 130 -7.698 -2.424 -5.789 1016 2HB LYS 130 2HB LYS 130 -8.623 -3.761 -5.094 1017 1HG LYS 130 1HG LYS 130 -10.609 -2.072 -4.992 1018 2HG LYS 130 2HG LYS 130 -9.617 -1.047 -6.040 1019 1HD LYS 130 1HD LYS 130 -10.658 -3.864 -6.593 1020 2HD LYS 130 2HD LYS 130 -11.163 -2.362 -7.378 1021 1HE LYS 130 1HE LYS 130 -8.887 -2.117 -8.356 1022 2HE LYS 130 2HE LYS 130 -8.428 -3.677 -7.640 1023 1HZ LYS 130 1HZ LYS 130 -10.165 -4.706 -8.883 1024 2HZ LYS 130 2HZ LYS 130 -10.583 -3.269 -9.574 1025 3HZ LYS 130 3HZ LYS 130 -9.105 -3.935 -9.883 1026 H VAL 131 H VAL 131 -10.066 -0.759 -2.600 1027 HA VAL 131 HA VAL 131 -11.271 -3.057 -1.126 1028 HB VAL 131 HB VAL 131 -11.737 -1.602 0.741 1029 1HG1 VAL 131 1HG1 VAL 131 -9.643 -2.927 0.728 1030 2HG1 VAL 131 2HG1 VAL 131 -8.771 -1.541 0.046 1031 3HG1 VAL 131 3HG1 VAL 131 -9.487 -1.434 1.665 1032 1HG2 VAL 131 1HG2 VAL 131 -10.124 0.541 -0.713 1033 2HG2 VAL 131 2HG2 VAL 131 -11.852 0.602 -0.314 1034 3HG2 VAL 131 3HG2 VAL 131 -10.662 0.611 0.980 1035 H VAL 132 H VAL 132 -13.447 -3.217 -1.166 1036 HA VAL 132 HA VAL 132 -14.907 -1.470 -3.050 1037 HB VAL 132 HB VAL 132 -15.761 -4.059 -1.707 1038 1HG1 VAL 132 1HG1 VAL 132 -16.908 -2.499 -4.058 1039 2HG1 VAL 132 2HG1 VAL 132 -17.484 -4.077 -3.482 1040 3HG1 VAL 132 3HG1 VAL 132 -17.659 -2.647 -2.458 1041 1HG2 VAL 132 1HG2 VAL 132 -14.604 -3.565 -4.484 1042 2HG2 VAL 132 2HG2 VAL 132 -13.837 -4.494 -3.178 1043 3HG2 VAL 132 3HG2 VAL 132 -15.324 -5.087 -3.924 1044 H ILE 133 H ILE 133 -15.327 0.419 -1.912 1045 HA ILE 133 HA ILE 133 -16.210 0.358 0.853 1046 HB ILE 133 HB ILE 133 -16.017 2.684 -1.081 1047 1HG1 ILE 133 1HG1 ILE 133 -14.093 1.544 0.999 1048 2HG1 ILE 133 2HG1 ILE 133 -13.857 1.647 -0.763 1049 1HG2 ILE 133 1HG2 ILE 133 -17.587 3.081 0.845 1050 2HG2 ILE 133 2HG2 ILE 133 -16.285 2.638 1.964 1051 3HG2 ILE 133 3HG2 ILE 133 -16.154 4.083 0.939 1052 1HD1 ILE 133 1HD1 ILE 133 -14.008 4.186 -0.515 1053 2HD1 ILE 133 2HD1 ILE 133 -13.913 3.935 1.242 1054 3HD1 ILE 133 3HD1 ILE 133 -12.579 3.410 0.209 1055 H GLU 134 H GLU 134 -18.179 -0.390 1.253 1056 HA GLU 134 HA GLU 134 -20.489 1.066 0.048 1057 1HB GLU 134 1HB GLU 134 -20.353 -1.415 1.817 1058 2HB GLU 134 2HB GLU 134 -21.844 -0.523 1.484 1059 1HG GLU 134 1HG GLU 134 -20.080 -1.839 -0.626 1060 2HG GLU 134 2HG GLU 134 -21.595 -2.497 0.016 1061 H LYS 135 H LYS 135 -21.842 2.145 1.567 1062 HA LYS 135 HA LYS 135 -20.342 3.223 3.917 1063 1HB LYS 135 1HB LYS 135 -22.421 4.416 2.061 1064 2HB LYS 135 2HB LYS 135 -21.945 5.154 3.604 1065 1HG LYS 135 1HG LYS 135 -19.630 5.308 2.916 1066 2HG LYS 135 2HG LYS 135 -19.951 4.445 1.400 1067 1HD LYS 135 1HD LYS 135 -21.302 6.240 0.547 1068 2HD LYS 135 2HD LYS 135 -21.313 7.065 2.113 1069 1HE LYS 135 1HE LYS 135 -18.840 7.376 1.963 1070 2HE LYS 135 2HE LYS 135 -18.852 6.592 0.370 1071 1HZ LYS 135 1HZ LYS 135 -20.279 8.343 -0.398 1072 2HZ LYS 135 2HZ LYS 135 -20.263 9.063 1.086 1073 3HZ LYS 135 3HZ LYS 135 -18.873 8.960 0.204 1074 H LYS 136 H LYS 136 -21.149 3.004 5.886 1075 HA LYS 136 HA LYS 136 -23.123 1.037 6.395 1076 1HB LYS 136 1HB LYS 136 -21.090 1.620 7.747 1077 2HB LYS 136 2HB LYS 136 -21.943 3.071 8.303 1078 1HG LYS 136 1HG LYS 136 -23.756 1.593 9.215 1079 2HG LYS 136 2HG LYS 136 -22.788 0.179 8.769 1080 1HD LYS 136 1HD LYS 136 -21.893 2.414 10.656 1081 2HD LYS 136 2HD LYS 136 -22.571 0.862 11.172 1082 1HE LYS 136 1HE LYS 136 -20.686 -0.340 10.114 1083 2HE LYS 136 2HE LYS 136 -19.973 1.202 9.604 1084 1HZ LYS 136 1HZ LYS 136 -20.454 0.403 12.372 1085 2HZ LYS 136 2HZ LYS 136 -18.997 0.422 11.599 1086 3HZ LYS 136 3HZ LYS 136 -19.802 1.835 11.875 No H/Q in entry = 1086 Start of MODEL 6 1 H SER 1 H SER 1 -12.259 7.367 5.327 2 HA SER 1 HA SER 1 -13.903 5.635 3.906 3 1HB SER 1 1HB SER 1 -15.676 6.274 5.456 4 2HB SER 1 2HB SER 1 -14.133 6.153 6.314 5 HG SER 1 HG SER 1 -14.000 8.446 6.102 6 H SER 2 H SER 2 -14.112 9.217 4.064 7 HA SER 2 HA SER 2 -16.265 9.362 2.112 8 1HB SER 2 1HB SER 2 -14.611 11.503 3.524 9 2HB SER 2 2HB SER 2 -16.068 11.794 2.542 10 HG SER 2 HG SER 2 -15.895 10.222 4.896 11 H SER 3 H SER 3 -14.085 11.915 1.592 12 HA SER 3 HA SER 3 -12.825 10.619 -0.789 13 1HB SER 3 1HB SER 3 -14.540 12.369 -1.319 14 2HB SER 3 2HB SER 3 -13.575 13.546 -0.407 15 HG SER 3 HG SER 3 -11.853 13.075 -1.863 16 H PHE 4 H PHE 4 -11.788 10.212 1.695 17 HA PHE 4 HA PHE 4 -10.141 10.615 3.173 18 1HB PHE 4 1HB PHE 4 -7.988 10.204 2.212 19 2HB PHE 4 2HB PHE 4 -9.215 9.209 1.442 20 HD1 PHE 4 HD1 PHE 4 -10.078 9.916 -0.895 21 HD2 PHE 4 HD2 PHE 4 -6.504 11.524 0.896 22 HE1 PHE 4 HE1 PHE 4 -9.296 10.663 -3.123 23 HE2 PHE 4 HE2 PHE 4 -5.713 12.232 -1.331 24 HZ PHE 4 1HZ PHE 4 -7.112 11.831 -3.347 25 H ASP 5 H ASP 5 -11.225 12.793 3.511 26 HA ASP 5 HA ASP 5 -10.865 15.112 2.364 27 1HB ASP 5 1HB ASP 5 -11.004 14.702 5.367 28 2HB ASP 5 2HB ASP 5 -11.372 16.215 4.525 29 H LYS 6 H LYS 6 -8.930 15.449 1.446 30 HA LYS 6 HA LYS 6 -7.297 17.399 2.071 31 1HB LYS 6 1HB LYS 6 -5.133 16.501 2.812 32 2HB LYS 6 2HB LYS 6 -6.356 16.455 4.066 33 1HG LYS 6 1HG LYS 6 -6.632 13.986 3.670 34 2HG LYS 6 2HG LYS 6 -5.459 14.080 2.349 35 1HD LYS 6 1HD LYS 6 -4.393 13.210 4.322 36 2HD LYS 6 2HD LYS 6 -3.707 14.794 3.942 37 1HE LYS 6 1HE LYS 6 -4.971 15.848 5.739 38 2HE LYS 6 2HE LYS 6 -5.904 14.366 6.016 39 1HZ LYS 6 1HZ LYS 6 -3.879 13.304 6.682 40 2HZ LYS 6 2HZ LYS 6 -3.019 14.687 6.419 41 3HZ LYS 6 3HZ LYS 6 -4.168 14.641 7.601 42 H GLY 7 H GLY 7 -5.830 17.777 0.398 43 1HA GLY 7 1HA GLY 7 -6.137 16.087 -1.978 44 2HA GLY 7 2HA GLY 7 -5.334 17.656 -1.842 45 H LYS 8 H LYS 8 -4.987 14.190 -1.313 46 HA LYS 8 HA LYS 8 -3.279 12.776 -1.036 47 1HB LYS 8 1HB LYS 8 -1.943 14.859 -2.773 48 2HB LYS 8 2HB LYS 8 -0.991 13.563 -2.058 49 1HG LYS 8 1HG LYS 8 -1.668 12.919 -4.265 50 2HG LYS 8 2HG LYS 8 -2.316 11.847 -3.026 51 1HD LYS 8 1HD LYS 8 -3.969 12.198 -4.742 52 2HD LYS 8 2HD LYS 8 -4.546 12.927 -3.246 53 1HE LYS 8 1HE LYS 8 -3.848 15.175 -4.094 54 2HE LYS 8 2HE LYS 8 -3.242 14.409 -5.575 55 1HZ LYS 8 1HZ LYS 8 -5.465 13.674 -6.017 56 2HZ LYS 8 2HZ LYS 8 -6.019 14.377 -4.633 57 3HZ LYS 8 3HZ LYS 8 -5.422 15.314 -5.852 58 H TYR 9 H TYR 9 -0.916 15.366 -0.728 59 HA TYR 9 HA TYR 9 0.579 15.792 0.876 60 1HB TYR 9 1HB TYR 9 -1.269 17.038 1.842 61 2HB TYR 9 2HB TYR 9 -1.858 15.613 2.686 62 HD1 TYR 9 HD1 TYR 9 1.218 17.761 2.359 63 HD2 TYR 9 HD2 TYR 9 -1.143 15.215 4.919 64 HE1 TYR 9 HE1 TYR 9 2.771 18.202 4.238 65 HE2 TYR 9 HE2 TYR 9 0.419 15.645 6.787 66 HH TYR 9 HH TYR 9 2.325 16.734 7.477 67 H LYS 10 H LYS 10 1.578 13.778 0.310 68 HA LYS 10 HA LYS 10 0.978 11.340 1.765 69 1HB LYS 10 1HB LYS 10 3.027 12.098 -0.331 70 2HB LYS 10 2HB LYS 10 2.858 10.463 0.348 71 1HG LYS 10 1HG LYS 10 0.669 10.177 -0.506 72 2HG LYS 10 2HG LYS 10 0.483 11.894 -0.876 73 1HD LYS 10 1HD LYS 10 0.772 10.632 -2.892 74 2HD LYS 10 2HD LYS 10 2.110 11.763 -2.688 75 1HE LYS 10 1HE LYS 10 2.350 8.849 -1.828 76 2HE LYS 10 2HE LYS 10 2.593 9.346 -3.510 77 1HZ LYS 10 1HZ LYS 10 4.294 10.834 -2.811 78 2HZ LYS 10 2HZ LYS 10 4.128 10.368 -1.240 79 3HZ LYS 10 3HZ LYS 10 4.645 9.286 -2.367 80 H LYS 11 H LYS 11 1.377 12.652 3.809 81 HA LYS 11 HA LYS 11 2.318 12.654 5.770 82 1HB LYS 11 1HB LYS 11 2.936 10.298 5.088 83 2HB LYS 11 2HB LYS 11 4.543 10.881 4.692 84 1HG LYS 11 1HG LYS 11 4.785 10.042 6.867 85 2HG LYS 11 2HG LYS 11 4.697 11.784 7.083 86 1HD LYS 11 1HD LYS 11 3.394 10.726 8.791 87 2HD LYS 11 2HD LYS 11 2.251 11.521 7.705 88 1HE LYS 11 1HE LYS 11 1.746 9.332 6.637 89 2HE LYS 11 2HE LYS 11 2.979 8.551 7.646 90 1HZ LYS 11 1HZ LYS 11 0.555 9.893 8.606 91 2HZ LYS 11 2HZ LYS 11 0.783 8.263 8.495 92 3HZ LYS 11 3HZ LYS 11 1.686 9.151 9.551 93 H GLY 12 H GLY 12 5.248 12.629 3.708 94 1HA GLY 12 1HA GLY 12 6.262 15.171 3.942 95 2HA GLY 12 2HA GLY 12 6.621 14.424 5.512 96 H ASP 13 H ASP 13 6.722 11.707 4.008 97 HA ASP 13 HA ASP 13 9.442 11.294 3.768 98 1HB ASP 13 1HB ASP 13 7.063 9.988 2.409 99 2HB ASP 13 2HB ASP 13 8.710 9.363 2.260 100 H ASP 14 H ASP 14 10.954 11.450 2.183 101 HA ASP 14 HA ASP 14 10.381 13.196 -0.108 102 1HB ASP 14 1HB ASP 14 12.969 12.033 0.987 103 2HB ASP 14 2HB ASP 14 12.836 13.189 -0.349 104 H ALA 15 H ALA 15 9.012 11.676 -1.223 105 HA ALA 15 HA ALA 15 10.304 9.393 -2.590 106 1HB ALA 15 1HB ALA 15 7.963 9.195 -1.822 107 2HB ALA 15 2HB ALA 15 7.512 10.600 -2.808 108 3HB ALA 15 3HB ALA 15 8.069 9.107 -3.593 109 H SER 16 H SER 16 10.348 9.357 -4.961 110 HA SER 16 HA SER 16 9.950 11.812 -6.463 111 1HB SER 16 1HB SER 16 12.268 12.127 -7.162 112 2HB SER 16 2HB SER 16 12.194 12.234 -5.399 113 HG SER 16 HG SER 16 13.897 10.889 -6.196 114 H TYR 17 H TYR 17 10.671 11.528 -8.743 115 HA TYR 17 HA TYR 17 10.992 8.713 -9.671 116 1HB TYR 17 1HB TYR 17 9.223 10.894 -10.833 117 2HB TYR 17 2HB TYR 17 9.825 9.549 -11.794 118 HD1 TYR 17 HD1 TYR 17 7.924 10.143 -8.573 119 HD2 TYR 17 HD2 TYR 17 8.503 7.673 -12.061 120 HE1 TYR 17 HE1 TYR 17 6.186 8.587 -7.763 121 HE2 TYR 17 HE2 TYR 17 6.723 6.151 -11.275 122 HH TYR 17 HH TYR 17 5.010 6.650 -8.165 123 H PHE 18 H PHE 18 13.014 10.321 -8.763 124 HA PHE 18 HA PHE 18 14.771 10.693 -11.001 125 1HB PHE 18 1HB PHE 18 13.437 12.695 -11.415 126 2HB PHE 18 2HB PHE 18 13.489 13.137 -9.713 127 HD1 PHE 18 HD1 PHE 18 15.804 12.429 -12.609 128 HD2 PHE 18 HD2 PHE 18 15.080 14.749 -9.044 129 HE1 PHE 18 HE1 PHE 18 17.856 13.755 -13.049 130 HE2 PHE 18 HE2 PHE 18 17.126 16.072 -9.493 131 HZ PHE 18 1HZ PHE 18 18.520 15.576 -11.492 132 H GLU 19 H GLU 19 16.411 9.743 -9.943 133 HA GLU 19 HA GLU 19 18.172 9.450 -8.650 134 1HB GLU 19 1HB GLU 19 17.501 12.056 -7.205 135 2HB GLU 19 2HB GLU 19 19.041 11.225 -7.192 136 1HG GLU 19 1HG GLU 19 17.727 12.534 -9.596 137 2HG GLU 19 2HG GLU 19 19.130 13.117 -8.698 138 HA PRO 20 HA PRO 20 16.574 7.494 -4.991 139 1HB PRO 20 1HB PRO 20 18.802 6.709 -3.650 140 2HB PRO 20 2HB PRO 20 18.359 6.045 -5.234 141 1HG PRO 20 1HG PRO 20 20.322 8.286 -4.700 142 2HG PRO 20 2HG PRO 20 20.567 6.822 -5.695 143 1HD PRO 20 1HD PRO 20 19.832 9.200 -6.794 144 2HD PRO 20 2HD PRO 20 19.191 7.661 -7.423 145 H THR 21 H THR 21 15.532 9.430 -4.233 146 HA THR 21 HA THR 21 16.934 11.340 -2.560 147 HB THR 21 HB THR 21 14.613 12.234 -2.192 148 HG1 THR 21 HG1 THR 21 12.992 11.355 -3.513 149 1HG2 THR 21 1HG2 THR 21 14.360 13.065 -4.496 150 2HG2 THR 21 2HG2 THR 21 16.060 13.080 -3.997 151 H GLY 22 H GLY 22 14.313 8.922 -1.900 152 1HA GLY 22 1HA GLY 22 15.559 7.961 0.437 153 2HA GLY 22 2HA GLY 22 14.356 9.179 0.918 154 HA PRO 23 HA PRO 23 12.329 4.990 -0.140 155 1HB PRO 23 1HB PRO 23 12.370 3.575 2.169 156 2HB PRO 23 2HB PRO 23 13.817 3.684 1.139 157 1HG PRO 23 1HG PRO 23 13.180 5.403 3.553 158 2HG PRO 23 2HG PRO 23 14.670 4.456 3.252 159 1HD PRO 23 1HD PRO 23 14.512 7.104 2.616 160 2HD PRO 23 2HD PRO 23 15.382 5.947 1.564 161 H TYR 24 H TYR 24 10.323 4.049 0.833 162 HA TYR 24 HA TYR 24 8.992 5.311 3.019 163 1HB TYR 24 1HB TYR 24 7.073 6.247 1.809 164 2HB TYR 24 2HB TYR 24 8.548 7.089 1.400 165 HD1 TYR 24 HD1 TYR 24 5.986 4.716 0.153 166 HD2 TYR 24 HD2 TYR 24 9.479 7.031 -0.858 167 HE1 TYR 24 HE1 TYR 24 5.559 4.312 -2.243 168 HE2 TYR 24 HE2 TYR 24 9.011 6.684 -3.260 169 HH TYR 24 HH TYR 24 7.623 5.703 -4.824 170 H LEU 25 H LEU 25 6.609 4.485 3.051 171 HA LEU 25 HA LEU 25 6.191 1.914 1.702 172 1HB LEU 25 1HB LEU 25 7.430 1.470 3.832 173 2HB LEU 25 2HB LEU 25 6.072 2.124 4.745 174 HG LEU 25 HG LEU 25 5.879 -0.234 2.795 175 1HD1 LEU 25 1HD1 LEU 25 6.272 -0.255 5.809 176 2HD1 LEU 25 2HD1 LEU 25 5.911 -1.678 4.805 177 3HD1 LEU 25 3HD1 LEU 25 7.431 -0.807 4.577 178 1HD2 LEU 25 1HD2 LEU 25 3.979 0.778 4.937 179 2HD2 LEU 25 2HD2 LEU 25 3.687 0.680 3.177 180 3HD2 LEU 25 3HD2 LEU 25 3.832 -0.794 4.126 181 H MET 26 H MET 26 4.573 2.911 0.567 182 HA MET 26 HA MET 26 2.544 4.575 1.794 183 1HB MET 26 1HB MET 26 3.519 4.889 -0.474 184 2HB MET 26 2HB MET 26 2.757 3.397 -0.999 185 1HG MET 26 1HG MET 26 1.335 5.895 0.001 186 2HG MET 26 2HG MET 26 1.570 5.462 -1.687 187 1HE MET 26 1HE MET 26 0.395 3.379 -2.888 188 2HE MET 26 2HE MET 26 0.855 2.223 -1.613 189 3HE MET 26 3HE MET 26 -0.842 2.373 -2.097 190 H VAL 27 H VAL 27 0.635 3.967 2.601 191 HA VAL 27 HA VAL 27 -0.445 1.234 2.056 192 HB VAL 27 HB VAL 27 -0.372 2.628 4.767 193 1HG1 VAL 27 1HG1 VAL 27 -2.339 1.120 4.396 194 2HG1 VAL 27 2HG1 VAL 27 -1.224 -0.192 3.968 195 3HG1 VAL 27 3HG1 VAL 27 -1.226 0.484 5.610 196 1HG2 VAL 27 1HG2 VAL 27 1.274 0.283 3.751 197 2HG2 VAL 27 2HG2 VAL 27 1.878 1.890 4.237 198 3HG2 VAL 27 3HG2 VAL 27 1.168 0.820 5.442 199 H ASN 28 H ASN 28 -1.904 2.128 0.550 200 HA ASN 28 HA ASN 28 -4.335 3.093 1.815 201 1HB ASN 28 1HB ASN 28 -2.959 4.746 -0.343 202 2HB ASN 28 2HB ASN 28 -4.668 4.914 0.069 203 1HD2 ASN 28 1HD2 ASN 28 -4.097 6.335 3.338 204 2HD2 ASN 28 2HD2 ASN 28 -5.102 5.159 2.528 205 H VAL 29 H VAL 29 -6.151 3.048 0.324 206 HA VAL 29 HA VAL 29 -5.849 0.821 -1.633 207 HB VAL 29 HB VAL 29 -8.097 0.099 -0.841 208 1HG1 VAL 29 1HG1 VAL 29 -6.052 -0.955 0.009 209 2HG1 VAL 29 2HG1 VAL 29 -5.943 0.252 1.297 210 3HG1 VAL 29 3HG1 VAL 29 -7.301 -0.899 1.266 211 1HG2 VAL 29 1HG2 VAL 29 -8.941 2.220 0.104 212 2HG2 VAL 29 2HG2 VAL 29 -8.978 0.914 1.296 213 3HG2 VAL 29 3HG2 VAL 29 -7.715 2.148 1.389 214 H THR 30 H THR 30 -7.350 0.664 -3.297 215 HA THR 30 HA THR 30 -8.388 3.234 -4.319 216 HB THR 30 HB THR 30 -8.384 0.482 -5.626 217 HG1 THR 30 HG1 THR 30 -6.532 1.252 -6.672 218 1HG2 THR 30 1HG2 THR 30 -9.934 2.176 -6.639 219 2HG2 THR 30 2HG2 THR 30 -8.580 3.314 -6.764 220 H GLY 31 H GLY 31 -9.931 3.364 -2.497 221 1HA GLY 31 1HA GLY 31 -12.052 1.461 -2.138 222 2HA GLY 31 2HA GLY 31 -12.039 3.147 -1.608 223 H VAL 32 H VAL 32 -13.797 1.137 -3.422 224 HA VAL 32 HA VAL 32 -14.669 3.230 -5.349 225 HB VAL 32 HB VAL 32 -15.093 1.372 -6.989 226 1HG1 VAL 32 1HG1 VAL 32 -12.190 1.802 -6.218 227 2HG1 VAL 32 2HG1 VAL 32 -12.757 1.112 -7.749 228 3HG1 VAL 32 3HG1 VAL 32 -13.160 2.781 -7.335 229 1HG2 VAL 32 1HG2 VAL 32 -14.995 -0.527 -5.311 230 2HG2 VAL 32 2HG2 VAL 32 -14.035 -0.768 -6.776 231 3HG2 VAL 32 3HG2 VAL 32 -13.237 -0.300 -5.266 232 H ASP 33 H ASP 33 -16.833 2.725 -6.247 233 HA ASP 33 HA ASP 33 -18.784 1.799 -4.275 234 1HB ASP 33 1HB ASP 33 -18.992 2.557 -7.220 235 2HB ASP 33 2HB ASP 33 -20.369 2.195 -6.169 236 H SER 34 H SER 34 -20.489 0.147 -5.453 237 HA SER 34 HA SER 34 -18.993 -2.313 -6.089 238 1HB SER 34 1HB SER 34 -20.927 -2.270 -4.513 239 2HB SER 34 2HB SER 34 -21.988 -1.850 -5.872 240 HG SER 34 HG SER 34 -21.273 -3.810 -6.864 241 H LYS 35 H LYS 35 -18.521 -0.318 -7.963 242 HA LYS 35 HA LYS 35 -19.608 -1.446 -10.457 243 1HB LYS 35 1HB LYS 35 -19.590 1.479 -9.604 244 2HB LYS 35 2HB LYS 35 -19.676 1.006 -11.299 245 1HG LYS 35 1HG LYS 35 -21.759 -0.101 -9.402 246 2HG LYS 35 2HG LYS 35 -21.815 1.595 -9.848 247 1HD LYS 35 1HD LYS 35 -23.249 0.360 -11.324 248 2HD LYS 35 2HD LYS 35 -21.912 1.086 -12.217 249 1HE LYS 35 1HE LYS 35 -22.409 -1.157 -13.039 250 2HE LYS 35 2HE LYS 35 -20.784 -1.112 -12.350 251 1HZ LYS 35 1HZ LYS 35 -23.212 -2.116 -11.024 252 2HZ LYS 35 2HZ LYS 35 -22.014 -3.045 -11.674 253 3HZ LYS 35 3HZ LYS 35 -21.705 -2.101 -10.358 254 H GLY 36 H GLY 36 -17.448 1.087 -9.086 255 1HA GLY 36 1HA GLY 36 -14.973 0.181 -9.418 256 2HA GLY 36 2HA GLY 36 -15.375 0.517 -11.109 257 H ASN 37 H ASN 37 -17.168 2.819 -9.624 258 HA ASN 37 HA ASN 37 -15.387 4.911 -10.411 259 1HB ASN 37 1HB ASN 37 -17.984 5.023 -8.823 260 2HB ASN 37 2HB ASN 37 -17.173 6.392 -9.594 261 1HD2 ASN 37 1HD2 ASN 37 -19.514 3.829 -11.789 262 2HD2 ASN 37 2HD2 ASN 37 -19.202 3.572 -10.086 263 H GLU 38 H GLU 38 -13.821 5.901 -9.250 264 HA GLU 38 HA GLU 38 -13.087 4.893 -6.721 265 1HB GLU 38 1HB GLU 38 -11.520 5.704 -8.452 266 2HB GLU 38 2HB GLU 38 -12.022 7.372 -8.111 267 1HG GLU 38 1HG GLU 38 -11.271 7.092 -5.744 268 2HG GLU 38 2HG GLU 38 -10.813 5.416 -6.097 269 H LEU 39 H LEU 39 -13.640 5.399 -4.759 270 HA LEU 39 HA LEU 39 -15.041 7.915 -4.062 271 1HB LEU 39 1HB LEU 39 -14.497 5.335 -2.548 272 2HB LEU 39 2HB LEU 39 -15.370 6.725 -1.886 273 HG LEU 39 HG LEU 39 -16.256 5.116 -4.335 274 1HD1 LEU 39 1HD1 LEU 39 -16.277 3.787 -2.262 275 2HD1 LEU 39 2HD1 LEU 39 -17.257 5.032 -1.462 276 3HD1 LEU 39 3HD1 LEU 39 -17.920 4.121 -2.837 277 1HD2 LEU 39 1HD2 LEU 39 -17.623 7.303 -2.697 278 2HD2 LEU 39 2HD2 LEU 39 -17.186 7.374 -4.421 279 3HD2 LEU 39 3HD2 LEU 39 -18.453 6.272 -3.875 280 H LEU 40 H LEU 40 -12.133 5.951 -3.215 281 HA LEU 40 HA LEU 40 -10.730 8.450 -2.579 282 1HB LEU 40 1HB LEU 40 -9.726 7.467 -0.539 283 2HB LEU 40 2HB LEU 40 -11.428 7.877 -0.374 284 HG LEU 40 HG LEU 40 -10.845 5.059 -1.203 285 1HD1 LEU 40 1HD1 LEU 40 -9.068 5.414 0.458 286 2HD1 LEU 40 2HD1 LEU 40 -10.275 6.034 1.616 287 3HD1 LEU 40 3HD1 LEU 40 -10.328 4.340 1.087 288 1HD2 LEU 40 1HD2 LEU 40 -13.170 5.883 -0.712 289 2HD2 LEU 40 2HD2 LEU 40 -12.675 4.601 0.405 290 3HD2 LEU 40 3HD2 LEU 40 -12.659 6.292 0.934 291 H SER 41 H SER 41 -8.501 8.353 -2.633 292 HA SER 41 HA SER 41 -7.612 6.719 -4.852 293 1HB SER 41 1HB SER 41 -7.373 9.189 -4.754 294 2HB SER 41 2HB SER 41 -6.317 9.024 -3.335 295 HG SER 41 HG SER 41 -5.840 8.043 -5.947 296 HA PRO 42 HA PRO 42 -4.877 4.243 -2.230 297 1HB PRO 42 1HB PRO 42 -3.443 2.873 -4.046 298 2HB PRO 42 2HB PRO 42 -5.208 2.731 -3.983 299 1HG PRO 42 1HG PRO 42 -3.616 4.592 -5.777 300 2HG PRO 42 2HG PRO 42 -4.815 3.379 -6.294 301 1HD PRO 42 1HD PRO 42 -5.503 5.974 -5.898 302 2HD PRO 42 2HD PRO 42 -6.611 4.660 -5.422 303 H HIS 43 H HIS 43 -4.134 6.984 -2.234 304 HA HIS 43 HA HIS 43 -1.483 6.762 -1.361 305 1HB HIS 43 1HB HIS 43 -0.405 8.394 -2.982 306 2HB HIS 43 2HB HIS 43 -0.567 6.736 -3.516 307 HD1 HIS 43 HD1 HIS 43 -2.125 10.192 -4.203 308 HD2 HIS 43 HD2 HIS 43 -1.897 6.286 -5.742 309 HE1 HIS 43 HE1 HIS 43 -3.138 10.266 -6.549 310 H TYR 44 H TYR 44 -1.588 8.027 0.318 311 HA TYR 44 HA TYR 44 -1.809 10.823 0.147 312 1HB TYR 44 1HB TYR 44 -3.829 11.204 1.559 313 2HB TYR 44 2HB TYR 44 -4.140 10.712 -0.081 314 HD1 TYR 44 HD1 TYR 44 -4.219 9.623 3.462 315 HD2 TYR 44 HD2 TYR 44 -5.354 8.692 -0.592 316 HE1 TYR 44 HE1 TYR 44 -6.050 8.184 4.301 317 HE2 TYR 44 HE2 TYR 44 -7.227 7.313 0.257 318 HH TYR 44 HH TYR 44 -8.404 6.646 2.076 319 H VAL 45 H VAL 45 -1.206 7.944 1.917 320 HA VAL 45 HA VAL 45 0.450 9.554 3.713 321 HB VAL 45 HB VAL 45 -0.056 7.972 5.622 322 1HG1 VAL 45 1HG1 VAL 45 -0.790 10.335 5.607 323 2HG1 VAL 45 2HG1 VAL 45 -2.337 9.838 4.886 324 3HG1 VAL 45 3HG1 VAL 45 -1.887 9.270 6.501 325 1HG2 VAL 45 1HG2 VAL 45 -1.360 6.257 4.363 326 2HG2 VAL 45 2HG2 VAL 45 -2.231 6.901 5.762 327 3HG2 VAL 45 3HG2 VAL 45 -2.655 7.457 4.136 328 H GLU 46 H GLU 46 2.373 8.604 4.174 329 HA GLU 46 HA GLU 46 2.841 5.799 3.682 330 1HB GLU 46 1HB GLU 46 4.609 6.043 2.042 331 2HB GLU 46 2HB GLU 46 3.103 6.730 1.408 332 1HG GLU 46 1HG GLU 46 3.922 9.011 1.957 333 2HG GLU 46 2HG GLU 46 5.436 8.305 2.550 334 H PHE 47 H PHE 47 4.614 5.018 4.767 335 HA PHE 47 HA PHE 47 5.525 6.844 6.913 336 1HB PHE 47 1HB PHE 47 5.270 3.818 6.796 337 2HB PHE 47 2HB PHE 47 5.727 4.757 8.212 338 HD1 PHE 47 HD1 PHE 47 4.061 6.169 9.398 339 HD2 PHE 47 HD2 PHE 47 2.936 3.738 6.016 340 HE1 PHE 47 HE1 PHE 47 1.666 6.481 9.961 341 HE2 PHE 47 HE2 PHE 47 0.545 4.117 6.544 342 HZ PHE 47 1HZ PHE 47 -0.096 5.486 8.516 343 HA PRO 48 HA PRO 48 9.800 6.148 5.589 344 1HB PRO 48 1HB PRO 48 11.155 6.608 7.918 345 2HB PRO 48 2HB PRO 48 10.390 7.908 6.960 346 1HG PRO 48 1HG PRO 48 9.258 6.507 9.393 347 2HG PRO 48 2HG PRO 48 9.341 8.263 9.073 348 1HD PRO 48 1HD PRO 48 7.092 6.804 8.594 349 2HD PRO 48 2HD PRO 48 7.564 8.147 7.511 350 H ILE 49 H ILE 49 10.463 4.130 5.172 351 HA ILE 49 HA ILE 49 9.185 1.997 6.317 352 HB ILE 49 HB ILE 49 10.068 2.087 4.048 353 1HG1 ILE 49 1HG1 ILE 49 11.226 -0.369 5.431 354 2HG1 ILE 49 2HG1 ILE 49 9.464 -0.068 5.343 355 1HG2 ILE 49 1HG2 ILE 49 12.339 3.030 4.576 356 2HG2 ILE 49 2HG2 ILE 49 12.813 1.453 5.234 357 3HG2 ILE 49 3HG2 ILE 49 12.404 1.612 3.523 358 1HD1 ILE 49 1HD1 ILE 49 9.622 0.052 2.871 359 2HD1 ILE 49 2HD1 ILE 49 11.357 -0.340 2.948 360 3HD1 ILE 49 3HD1 ILE 49 10.154 -1.516 3.506 361 H LYS 50 H LYS 50 9.619 0.369 7.687 362 HA LYS 50 HA LYS 50 12.174 0.313 9.202 363 1HB LYS 50 1HB LYS 50 10.419 1.356 10.529 364 2HB LYS 50 2HB LYS 50 9.382 -0.060 10.359 365 1HG LYS 50 1HG LYS 50 12.196 -0.266 11.516 366 2HG LYS 50 2HG LYS 50 10.837 0.287 12.500 367 1HD LYS 50 1HD LYS 50 9.613 -1.808 12.086 368 2HD LYS 50 2HD LYS 50 10.965 -2.423 11.118 369 1HE LYS 50 1HE LYS 50 12.472 -2.238 13.056 370 2HE LYS 50 2HE LYS 50 11.120 -1.657 14.051 371 1HZ LYS 50 1HZ LYS 50 11.263 -4.261 12.704 372 2HZ LYS 50 2HZ LYS 50 11.493 -3.994 14.315 373 3HZ LYS 50 3HZ LYS 50 10.013 -3.727 13.637 374 HA PRO 51 HA PRO 51 11.344 -3.653 7.084 375 1HB PRO 51 1HB PRO 51 13.875 -4.587 6.828 376 2HB PRO 51 2HB PRO 51 13.279 -3.198 5.866 377 1HG PRO 51 1HG PRO 51 14.878 -3.102 8.437 378 2HG PRO 51 2HG PRO 51 15.220 -2.242 6.907 379 1HD PRO 51 1HD PRO 51 13.888 -1.072 8.978 380 2HD PRO 51 2HD PRO 51 13.447 -0.709 7.279 381 H GLY 52 H GLY 52 11.548 -5.919 7.629 382 1HA GLY 52 1HA GLY 52 11.704 -7.727 9.063 383 2HA GLY 52 2HA GLY 52 12.477 -6.722 10.296 384 H THR 53 H THR 53 9.367 -7.044 8.534 385 HA THR 53 HA THR 53 7.826 -7.031 11.014 386 HB THR 53 1HB THR 53 8.041 -4.651 10.672 387 HG1 THR 53 HG1 THR 53 6.001 -5.497 11.254 388 1HG2 THR 53 1HG2 THR 53 8.619 -4.551 8.272 389 2HG2 THR 53 2HG2 THR 53 6.973 -5.063 7.847 390 H THR 54 H THR 54 5.783 -7.908 10.778 391 HA THR 54 HA THR 54 5.646 -9.933 8.792 392 HB THR 54 HB THR 54 3.595 -9.022 10.852 393 HG1 THR 54 HG1 THR 54 5.591 -11.035 10.890 394 1HG2 THR 54 1HG2 THR 54 2.742 -11.352 10.649 395 2HG2 THR 54 2HG2 THR 54 2.532 -10.446 9.145 396 H LEU 55 H LEU 55 5.034 -9.682 6.764 397 HA LEU 55 HA LEU 55 2.764 -7.888 6.012 398 1HB LEU 55 1HB LEU 55 5.503 -8.281 4.867 399 2HB LEU 55 2HB LEU 55 4.191 -8.266 3.699 400 HG LEU 55 HG LEU 55 5.299 -6.080 4.063 401 1HD1 LEU 55 1HD1 LEU 55 3.104 -6.275 3.008 402 2HD1 LEU 55 2HD1 LEU 55 2.305 -6.179 4.589 403 3HD1 LEU 55 3HD1 LEU 55 3.218 -4.788 3.967 404 1HD2 LEU 55 1HD2 LEU 55 5.420 -6.286 6.610 405 2HD2 LEU 55 2HD2 LEU 55 4.881 -4.722 5.963 406 3HD2 LEU 55 3HD2 LEU 55 3.698 -5.852 6.635 407 H THR 56 H THR 56 1.115 -9.298 6.020 408 HA THR 56 HA THR 56 1.097 -11.266 3.868 409 HB THR 56 HB THR 56 1.885 -12.627 5.714 410 HG1 THR 56 HG1 THR 56 0.209 -14.153 5.635 411 1HG2 THR 56 1HG2 THR 56 0.458 -13.088 7.676 412 2HG2 THR 56 2HG2 THR 56 0.999 -11.405 7.652 413 H LYS 57 H LYS 57 -1.212 -12.101 3.587 414 HA LYS 57 HA LYS 57 -2.865 -9.921 3.085 415 1HB LYS 57 1HB LYS 57 -2.940 -12.170 1.989 416 2HB LYS 57 2HB LYS 57 -3.703 -12.823 3.434 417 1HG LYS 57 1HG LYS 57 -5.266 -10.527 2.756 418 2HG LYS 57 2HG LYS 57 -4.804 -11.225 1.218 419 1HD LYS 57 1HD LYS 57 -6.906 -12.184 1.828 420 2HD LYS 57 2HD LYS 57 -5.683 -13.449 1.992 421 1HE LYS 57 1HE LYS 57 -7.274 -13.510 3.853 422 2HE LYS 57 2HE LYS 57 -5.676 -13.085 4.473 423 1HZ LYS 57 1HZ LYS 57 -7.847 -11.196 3.899 424 2HZ LYS 57 2HZ LYS 57 -7.404 -11.734 5.393 425 3HZ LYS 57 3HZ LYS 57 -6.369 -10.804 4.514 426 H GLU 58 H GLU 58 -3.103 -12.327 5.760 427 HA GLU 58 HA GLU 58 -5.360 -11.034 6.979 428 1HB GLU 58 1HB GLU 58 -5.231 -12.701 8.660 429 2HB GLU 58 2HB GLU 58 -5.006 -13.409 7.066 430 1HG GLU 58 1HG GLU 58 -3.480 -14.531 8.430 431 2HG GLU 58 2HG GLU 58 -2.492 -13.410 7.491 432 H LYS 59 H LYS 59 -2.067 -10.167 6.980 433 HA LYS 59 HA LYS 59 -2.441 -8.441 9.385 434 1HB LYS 59 1HB LYS 59 -0.530 -10.249 9.339 435 2HB LYS 59 2HB LYS 59 0.198 -9.209 8.124 436 1HG LYS 59 1HG LYS 59 1.223 -8.320 9.909 437 2HG LYS 59 2HG LYS 59 -0.229 -7.349 10.074 438 1HD LYS 59 1HD LYS 59 0.420 -9.946 11.563 439 2HD LYS 59 2HD LYS 59 0.576 -8.300 12.180 440 1HE LYS 59 1HE LYS 59 -1.395 -9.024 13.142 441 2HE LYS 59 2HE LYS 59 -1.957 -8.045 11.783 442 1HZ LYS 59 1HZ LYS 59 -1.734 -10.978 11.862 443 2HZ LYS 59 2HZ LYS 59 -3.132 -10.115 11.976 444 3HZ LYS 59 3HZ LYS 59 -2.274 -10.112 10.572 445 H ILE 60 H ILE 60 -3.585 -7.930 6.822 446 HA ILE 60 HA ILE 60 -2.350 -5.329 6.238 447 HB ILE 60 HB ILE 60 -2.609 -7.609 4.311 448 1HG1 ILE 60 1HG1 ILE 60 -0.385 -6.751 5.056 449 2HG1 ILE 60 2HG1 ILE 60 -0.661 -6.743 3.298 450 1HG2 ILE 60 1HG2 ILE 60 -3.262 -4.788 3.431 451 2HG2 ILE 60 2HG2 ILE 60 -2.766 -6.101 2.347 452 3HG2 ILE 60 3HG2 ILE 60 -4.258 -6.248 3.271 453 1HD1 ILE 60 1HD1 ILE 60 -0.821 -4.266 5.108 454 2HD1 ILE 60 2HD1 ILE 60 0.522 -4.708 4.053 455 3HD1 ILE 60 3HD1 ILE 60 -1.039 -4.299 3.345 456 H GLU 61 H GLU 61 -5.088 -7.570 5.877 457 HA GLU 61 HA GLU 61 -7.000 -5.833 4.899 458 1HB GLU 61 1HB GLU 61 -8.666 -7.357 5.975 459 2HB GLU 61 2HB GLU 61 -7.462 -8.096 4.921 460 1HG GLU 61 1HG GLU 61 -7.793 -9.558 6.749 461 2HG GLU 61 2HG GLU 61 -6.182 -8.868 6.916 462 H TYR 62 H TYR 62 -5.956 -6.130 8.278 463 HA TYR 62 HA TYR 62 -7.902 -4.174 9.225 464 1HB TYR 62 1HB TYR 62 -7.164 -4.599 11.332 465 2HB TYR 62 2HB TYR 62 -7.048 -6.165 10.562 466 HD1 TYR 62 HD1 TYR 62 -4.372 -6.241 9.286 467 HD2 TYR 62 HD2 TYR 62 -5.600 -4.496 13.039 468 HE1 TYR 62 HE1 TYR 62 -2.025 -5.959 9.932 469 HE2 TYR 62 HE2 TYR 62 -3.234 -4.315 13.718 470 HH TYR 62 HH TYR 62 -1.032 -4.597 13.089 471 H TYR 63 H TYR 63 -4.522 -4.214 8.183 472 HA TYR 63 HA TYR 63 -3.713 -1.855 9.510 473 1HB TYR 63 1HB TYR 63 -2.331 -3.831 8.605 474 2HB TYR 63 2HB TYR 63 -2.453 -3.068 7.028 475 HD1 TYR 63 HD1 TYR 63 -1.640 -2.087 10.592 476 HD2 TYR 63 HD2 TYR 63 -0.472 -1.922 6.440 477 HE1 TYR 63 HE1 TYR 63 0.395 -0.829 11.214 478 HE2 TYR 63 HE2 TYR 63 1.614 -0.753 7.087 479 HH TYR 63 HH TYR 63 2.340 0.155 10.473 480 H VAL 64 H VAL 64 -4.870 -2.450 6.171 481 HA VAL 64 HA VAL 64 -4.433 0.214 5.223 482 HB VAL 64 HB VAL 64 -5.908 -0.383 3.400 483 1HG1 VAL 64 1HG1 VAL 64 -3.552 -1.015 3.295 484 2HG1 VAL 64 2HG1 VAL 64 -3.904 -2.570 4.074 485 3HG1 VAL 64 3HG1 VAL 64 -4.553 -2.214 2.461 486 1HG2 VAL 64 1HG2 VAL 64 -6.463 -2.979 4.882 487 2HG2 VAL 64 2HG2 VAL 64 -7.630 -1.727 4.418 488 3HG2 VAL 64 3HG2 VAL 64 -6.826 -2.685 3.174 489 H GLU 65 H GLU 65 -7.141 -1.348 6.934 490 HA GLU 65 HA GLU 65 -9.019 0.771 6.603 491 1HB GLU 65 1HB GLU 65 -8.741 -1.351 8.760 492 2HB GLU 65 2HB GLU 65 -10.098 -0.232 8.640 493 1HG GLU 65 1HG GLU 65 -9.258 -2.209 6.477 494 2HG GLU 65 2HG GLU 65 -10.595 -2.434 7.611 495 H TRP 66 H TRP 66 -6.342 0.262 8.917 496 HA TRP 66 HA TRP 66 -7.036 2.501 10.618 497 1HB TRP 66 1HB TRP 66 -4.347 1.180 10.226 498 2HB TRP 66 2HB TRP 66 -4.860 2.177 11.580 499 HD1 TRP 66 HD1 TRP 66 -3.616 -0.563 12.055 500 HE1 TRP 66 HE1 TRP 66 -4.848 -2.430 13.247 501 HE3 TRP 66 HE3 TRP 66 -8.483 0.965 11.230 502 HZ2 TRP 66 HZ2 TRP 66 -7.581 -3.226 13.747 503 HZ3 TRP 66 HZ3 TRP 66 -10.340 -0.410 12.029 504 HH2 TRP 66 HH2 TRP 66 -9.919 -2.506 13.290 505 H ALA 67 H ALA 67 -5.064 2.106 7.664 506 HA ALA 67 HA ALA 67 -3.755 4.641 7.855 507 1HB ALA 67 1HB ALA 67 -2.915 2.772 6.490 508 2HB ALA 67 2HB ALA 67 -4.303 2.947 5.389 509 3HB ALA 67 3HB ALA 67 -3.126 4.272 5.562 510 H LEU 68 H LEU 68 -6.710 3.546 6.084 511 HA LEU 68 HA LEU 68 -7.245 6.191 5.084 512 1HB LEU 68 1HB LEU 68 -9.255 5.284 4.127 513 2HB LEU 68 2HB LEU 68 -7.865 4.240 3.837 514 HG LEU 68 HG LEU 68 -8.797 2.965 5.988 515 1HD1 LEU 68 1HD1 LEU 68 -11.317 4.236 4.813 516 2HD1 LEU 68 2HD1 LEU 68 -11.269 2.911 5.990 517 3HD1 LEU 68 3HD1 LEU 68 -10.702 4.519 6.451 518 1HD2 LEU 68 1HD2 LEU 68 -9.999 2.765 3.197 519 2HD2 LEU 68 2HD2 LEU 68 -8.515 1.968 3.770 520 3HD2 LEU 68 3HD2 LEU 68 -10.085 1.501 4.440 521 H ASP 69 H ASP 69 -8.063 4.521 8.059 522 HA ASP 69 HA ASP 69 -10.296 5.988 8.888 523 1HB ASP 69 1HB ASP 69 -9.506 4.012 10.058 524 2HB ASP 69 2HB ASP 69 -8.010 4.832 10.525 525 H ALA 70 H ALA 70 -6.817 6.752 9.062 526 HA ALA 70 HA ALA 70 -6.726 8.881 10.774 527 1HB ALA 70 1HB ALA 70 -4.774 7.793 9.726 528 2HB ALA 70 2HB ALA 70 -5.164 8.571 8.177 529 3HB ALA 70 3HB ALA 70 -4.698 9.560 9.574 530 H THR 71 H THR 71 -7.359 9.118 7.220 531 HA THR 71 HA THR 71 -7.789 11.971 7.317 532 HB THR 71 1HB THR 71 -8.586 11.660 4.987 533 HG1 THR 71 HG1 THR 71 -9.381 9.542 5.155 534 1HG2 THR 71 1HG2 THR 71 -5.932 10.291 5.591 535 2HG2 THR 71 2HG2 THR 71 -6.410 11.098 4.078 536 H ALA 72 H ALA 72 -10.015 9.144 7.021 537 HA ALA 72 HA ALA 72 -12.127 10.601 8.399 538 1HB ALA 72 1HB ALA 72 -12.351 11.497 6.097 539 2HB ALA 72 2HB ALA 72 -12.474 9.847 5.462 540 3HB ALA 72 3HB ALA 72 -13.740 10.494 6.537 541 H TYR 73 H TYR 73 -13.764 9.230 9.152 542 HA TYR 73 HA TYR 73 -13.542 6.319 8.661 543 1HB TYR 73 1HB TYR 73 -13.107 5.855 10.999 544 2HB TYR 73 2HB TYR 73 -11.818 6.814 10.295 545 HD1 TYR 73 HD1 TYR 73 -11.706 9.341 10.756 546 HD2 TYR 73 HD2 TYR 73 -14.135 6.595 13.034 547 HE1 TYR 73 HE1 TYR 73 -11.904 11.011 12.560 548 HE2 TYR 73 HE2 TYR 73 -14.341 8.280 14.833 549 HH TYR 73 HH TYR 73 -12.811 11.514 14.615 550 H LYS 74 H LYS 74 -15.654 7.881 7.876 551 HA LYS 74 HA LYS 74 -17.806 7.231 9.851 552 1HB LYS 74 1HB LYS 74 -17.179 9.617 9.951 553 2HB LYS 74 2HB LYS 74 -17.479 9.768 8.212 554 1HG LYS 74 1HG LYS 74 -19.875 9.151 8.586 555 2HG LYS 74 2HG LYS 74 -19.534 8.916 10.304 556 1HD LYS 74 1HD LYS 74 -20.603 11.059 9.989 557 2HD LYS 74 2HD LYS 74 -18.943 11.297 10.547 558 1HE LYS 74 1HE LYS 74 -19.571 12.915 8.807 559 2HE LYS 74 2HE LYS 74 -18.236 11.901 8.256 560 1HZ LYS 74 1HZ LYS 74 -21.068 11.535 7.565 561 2HZ LYS 74 2HZ LYS 74 -19.912 12.183 6.585 562 3HZ LYS 74 3HZ LYS 74 -19.822 10.600 7.027 563 H GLU 75 H GLU 75 -17.268 8.329 6.463 564 HA GLU 75 HA GLU 75 -19.873 7.230 5.756 565 1HB GLU 75 1HB GLU 75 -18.879 9.591 5.254 566 2HB GLU 75 2HB GLU 75 -18.007 8.792 3.953 567 1HG GLU 75 1HG GLU 75 -19.956 9.568 2.921 568 2HG GLU 75 2HG GLU 75 -20.357 7.878 3.242 569 H PHE 76 H PHE 76 -19.029 4.967 6.049 570 HA PHE 76 HA PHE 76 -18.291 3.828 3.482 571 1HB PHE 76 1HB PHE 76 -16.328 2.623 4.284 572 2HB PHE 76 2HB PHE 76 -16.097 4.353 4.207 573 HD1 PHE 76 HD1 PHE 76 -17.847 3.920 7.296 574 HD2 PHE 76 HD2 PHE 76 -14.029 3.135 5.426 575 HE1 PHE 76 HE1 PHE 76 -16.757 4.064 9.471 576 HE2 PHE 76 HE2 PHE 76 -12.951 3.225 7.660 577 HZ PHE 76 1HZ PHE 76 -14.306 3.713 9.679 578 H ARG 77 H ARG 77 -18.245 1.537 3.433 579 HA ARG 77 HA ARG 77 -19.337 -0.110 5.529 580 1HB ARG 77 1HB ARG 77 -21.399 1.011 4.847 581 2HB ARG 77 2HB ARG 77 -21.068 0.688 3.145 582 1HG ARG 77 1HG ARG 77 -22.831 -0.712 4.142 583 2HG ARG 77 2HG ARG 77 -21.535 -1.664 3.430 584 1HD ARG 77 1HD ARG 77 -21.447 -1.020 6.387 585 2HD ARG 77 2HD ARG 77 -22.567 -2.251 5.808 586 HE ARG 77 HE ARG 77 -19.707 -2.507 6.055 587 1HH1 ARG 77 1HH1 ARG 77 -22.482 -3.626 4.111 588 2HH1 ARG 77 2HH1 ARG 77 -21.735 -5.160 3.734 589 1HH2 ARG 77 1HH2 ARG 77 -18.783 -4.536 5.549 590 2HH2 ARG 77 2HH2 ARG 77 -19.652 -5.674 4.544 591 H VAL 78 H VAL 78 -17.227 -0.934 4.967 592 HA VAL 78 HA VAL 78 -16.439 -1.457 2.302 593 HB VAL 78 HB VAL 78 -15.251 -2.478 4.904 594 1HG1 VAL 78 1HG1 VAL 78 -14.055 -2.236 2.102 595 2HG1 VAL 78 2HG1 VAL 78 -13.168 -2.687 3.570 596 3HG1 VAL 78 3HG1 VAL 78 -14.421 -3.759 2.937 597 1HG2 VAL 78 1HG2 VAL 78 -14.643 -0.003 3.221 598 2HG2 VAL 78 2HG2 VAL 78 -15.339 -0.011 4.855 599 3HG2 VAL 78 3HG2 VAL 78 -13.683 -0.567 4.601 600 H VAL 79 H VAL 79 -17.635 -2.839 1.120 601 HA VAL 79 HA VAL 79 -19.059 -5.073 2.069 602 HB VAL 79 HB VAL 79 -18.121 -4.426 -0.757 603 1HG1 VAL 79 1HG1 VAL 79 -20.364 -6.238 0.236 604 2HG1 VAL 79 2HG1 VAL 79 -20.074 -5.791 -1.458 605 3HG1 VAL 79 3HG1 VAL 79 -18.884 -6.768 -0.595 606 1HG2 VAL 79 1HG2 VAL 79 -20.667 -3.708 0.739 607 2HG2 VAL 79 2HG2 VAL 79 -19.432 -2.572 0.146 608 3HG2 VAL 79 3HG2 VAL 79 -20.417 -3.475 -1.005 609 H GLU 80 H GLU 80 -16.099 -5.049 -0.011 610 HA GLU 80 HA GLU 80 -15.085 -7.489 1.274 611 1HB GLU 80 1HB GLU 80 -16.758 -8.355 -0.300 612 2HB GLU 80 2HB GLU 80 -16.018 -7.447 -1.629 613 1HG GLU 80 1HG GLU 80 -13.938 -8.765 -1.388 614 2HG GLU 80 2HG GLU 80 -14.618 -9.606 0.015 615 H LEU 81 H LEU 81 -13.019 -7.046 1.553 616 HA LEU 81 HA LEU 81 -11.451 -5.416 -0.295 617 1HB LEU 81 1HB LEU 81 -9.615 -5.816 1.231 618 2HB LEU 81 2HB LEU 81 -11.061 -5.292 2.085 619 HG LEU 81 HG LEU 81 -11.348 -8.036 2.275 620 1HD1 LEU 81 1HD1 LEU 81 -9.132 -8.457 1.197 621 2HD1 LEU 81 2HD1 LEU 81 -8.352 -7.472 2.449 622 3HD1 LEU 81 3HD1 LEU 81 -9.168 -8.987 2.885 623 1HD2 LEU 81 1HD2 LEU 81 -9.785 -6.218 4.143 624 2HD2 LEU 81 2HD2 LEU 81 -11.551 -6.415 4.103 625 3HD2 LEU 81 3HD2 LEU 81 -10.527 -7.782 4.568 626 H ASP 82 H ASP 82 -9.834 -6.197 -1.687 627 HA ASP 82 HA ASP 82 -10.401 -8.798 -2.799 628 1HB ASP 82 1HB ASP 82 -8.385 -6.645 -3.512 629 2HB ASP 82 2HB ASP 82 -8.498 -8.193 -4.353 630 HA PRO 83 HA PRO 83 -7.286 -10.835 -0.252 631 1HB PRO 83 1HB PRO 83 -7.245 -13.305 -1.384 632 2HB PRO 83 2HB PRO 83 -8.663 -12.697 -0.481 633 1HG PRO 83 1HG PRO 83 -8.240 -12.646 -3.483 634 2HG PRO 83 2HG PRO 83 -9.660 -13.268 -2.592 635 1HD PRO 83 1HD PRO 83 -9.592 -10.753 -3.630 636 2HD PRO 83 2HD PRO 83 -10.387 -11.075 -2.057 637 H SER 84 H SER 84 -7.051 -10.454 -3.760 638 HA SER 84 HA SER 84 -4.227 -11.226 -3.900 639 1HB SER 84 1HB SER 84 -6.133 -10.062 -5.968 640 2HB SER 84 2HB SER 84 -4.493 -10.676 -6.281 641 HG SER 84 HG SER 84 -5.203 -12.700 -5.478 642 H ALA 85 H ALA 85 -4.110 -9.448 -2.028 643 HA ALA 85 HA ALA 85 -3.589 -6.728 -2.939 644 1HB ALA 85 1HB ALA 85 -2.900 -8.292 -0.420 645 2HB ALA 85 2HB ALA 85 -2.527 -6.572 -0.654 646 3HB ALA 85 3HB ALA 85 -4.215 -7.130 -0.628 647 H LYS 86 H LYS 86 -1.326 -5.823 -2.803 648 HA LYS 86 HA LYS 86 0.836 -7.718 -3.416 649 1HB LYS 86 1HB LYS 86 1.242 -6.731 -5.647 650 2HB LYS 86 2HB LYS 86 -0.296 -7.600 -5.548 651 1HG LYS 86 1HG LYS 86 -1.537 -5.487 -5.381 652 2HG LYS 86 2HG LYS 86 -0.027 -4.569 -5.294 653 1HD LYS 86 1HD LYS 86 -0.904 -4.365 -7.501 654 2HD LYS 86 2HD LYS 86 0.583 -5.326 -7.573 655 1HE LYS 86 1HE LYS 86 -0.747 -7.392 -7.786 656 2HE LYS 86 2HE LYS 86 -2.247 -6.466 -7.571 657 1HZ LYS 86 1HZ LYS 86 -1.727 -5.298 -9.583 658 2HZ LYS 86 2HZ LYS 86 -0.333 -6.156 -9.773 659 3HZ LYS 86 3HZ LYS 86 -1.791 -6.922 -9.861 660 H ILE 87 H ILE 87 2.847 -6.930 -3.339 661 HA ILE 87 HA ILE 87 3.336 -4.160 -2.373 662 HB ILE 87 HB ILE 87 5.065 -6.653 -2.658 663 1HG1 ILE 87 1HG1 ILE 87 5.496 -6.291 -0.226 664 2HG1 ILE 87 2HG1 ILE 87 4.245 -5.000 -0.234 665 1HG2 ILE 87 1HG2 ILE 87 5.889 -3.807 -1.957 666 2HG2 ILE 87 2HG2 ILE 87 6.904 -5.236 -1.672 667 3HG2 ILE 87 3HG2 ILE 87 6.475 -4.794 -3.314 668 1HD1 ILE 87 1HD1 ILE 87 3.711 -7.899 -0.993 669 2HD1 ILE 87 2HD1 ILE 87 3.548 -7.258 0.654 670 3HD1 ILE 87 3HD1 ILE 87 2.514 -6.629 -0.630 671 H GLU 88 H GLU 88 4.162 -2.669 -3.793 672 HA GLU 88 HA GLU 88 5.266 -3.552 -6.418 673 1HB GLU 88 1HB GLU 88 3.215 -1.341 -6.002 674 2HB GLU 88 2HB GLU 88 4.127 -1.646 -7.491 675 1HG GLU 88 1HG GLU 88 3.146 -3.960 -7.552 676 2HG GLU 88 2HG GLU 88 2.143 -3.535 -6.157 677 H VAL 89 H VAL 89 7.076 -3.384 -4.813 678 HA VAL 89 HA VAL 89 7.857 -0.834 -3.847 679 HB VAL 89 HB VAL 89 8.478 -2.871 -2.730 680 1HG1 VAL 89 1HG1 VAL 89 8.866 -4.380 -4.667 681 2HG1 VAL 89 2HG1 VAL 89 10.352 -3.485 -5.046 682 3HG1 VAL 89 3HG1 VAL 89 10.214 -4.375 -3.525 683 1HG2 VAL 89 1HG2 VAL 89 9.845 -0.868 -2.400 684 2HG2 VAL 89 2HG2 VAL 89 10.836 -2.338 -2.291 685 3HG2 VAL 89 3HG2 VAL 89 10.899 -1.333 -3.748 686 H THR 90 H THR 90 8.876 0.809 -4.767 687 HA THR 90 HA THR 90 10.128 0.432 -7.450 688 HB THR 90 HB THR 90 8.565 2.869 -6.548 689 HG1 THR 90 HG1 THR 90 7.697 0.703 -8.143 690 1HG2 THR 90 1HG2 THR 90 10.228 3.158 -8.402 691 2HG2 THR 90 2HG2 THR 90 9.468 1.822 -9.281 692 H TYR 91 H TYR 91 12.233 0.646 -7.188 693 HA TYR 91 HA TYR 91 13.372 2.632 -5.277 694 1HB TYR 91 1HB TYR 91 15.483 1.118 -6.097 695 2HB TYR 91 2HB TYR 91 14.547 0.885 -4.640 696 HD1 TYR 91 HD1 TYR 91 14.969 -0.358 -8.145 697 HD2 TYR 91 HD2 TYR 91 13.166 -1.023 -4.286 698 HE1 TYR 91 HE1 TYR 91 14.442 -2.697 -8.778 699 HE2 TYR 91 HE2 TYR 91 12.711 -3.374 -4.900 700 HH TYR 91 HH TYR 91 12.896 -4.999 -6.521 701 H TYR 92 H TYR 92 13.746 4.498 -6.203 702 HA TYR 92 HA TYR 92 14.170 4.798 -9.086 703 1HB TYR 92 1HB TYR 92 14.016 6.911 -6.905 704 2HB TYR 92 2HB TYR 92 13.808 7.135 -8.638 705 HD1 TYR 92 HD1 TYR 92 11.751 6.283 -9.765 706 HD2 TYR 92 HD2 TYR 92 12.221 6.055 -5.491 707 HE1 TYR 92 HE1 TYR 92 9.315 5.888 -9.515 708 HE2 TYR 92 HE2 TYR 92 9.802 5.622 -5.246 709 HH TYR 92 HH TYR 92 7.578 5.512 -8.052 710 H ASP 93 H ASP 93 16.303 3.414 -8.274 711 HA ASP 93 HA ASP 93 18.447 5.168 -7.299 712 1HB ASP 93 1HB ASP 93 18.057 2.947 -6.317 713 2HB ASP 93 2HB ASP 93 18.335 2.200 -7.888 714 H LYS 94 H LYS 94 18.617 6.537 -9.138 715 HA LYS 94 HA LYS 94 19.154 5.695 -11.778 716 1HB LYS 94 1HB LYS 94 19.821 8.207 -10.208 717 2HB LYS 94 2HB LYS 94 20.159 8.062 -11.932 718 1HG LYS 94 1HG LYS 94 17.379 7.591 -10.782 719 2HG LYS 94 2HG LYS 94 17.939 9.198 -11.226 720 1HD LYS 94 1HD LYS 94 18.174 7.033 -13.314 721 2HD LYS 94 2HD LYS 94 16.575 7.664 -12.909 722 1HE LYS 94 1HE LYS 94 17.490 8.875 -14.799 723 2HE LYS 94 2HE LYS 94 17.279 9.957 -13.413 724 1HZ LYS 94 1HZ LYS 94 19.813 8.729 -14.245 725 2HZ LYS 94 2HZ LYS 94 19.357 10.287 -14.541 726 3HZ LYS 94 3HZ LYS 94 19.610 9.784 -12.994 727 H ASN 95 H ASN 95 21.211 5.348 -9.037 728 HA ASN 95 HA ASN 95 23.760 5.811 -10.078 729 1HB ASN 95 1HB ASN 95 22.889 3.639 -8.139 730 2HB ASN 95 2HB ASN 95 24.536 4.236 -8.363 731 1HD2 ASN 95 1HD2 ASN 95 23.054 5.870 -5.333 732 2HD2 ASN 95 2HD2 ASN 95 23.347 4.222 -5.846 733 H LYS 96 H LYS 96 21.839 2.738 -10.179 734 HA LYS 96 HA LYS 96 22.912 2.139 -12.777 735 1HB LYS 96 1HB LYS 96 24.032 0.092 -12.352 736 2HB LYS 96 2HB LYS 96 24.838 1.379 -11.472 737 1HG LYS 96 1HG LYS 96 22.988 -0.725 -10.246 738 2HG LYS 96 2HG LYS 96 24.748 -0.736 -10.264 739 1HD LYS 96 1HD LYS 96 24.694 1.489 -9.001 740 2HD LYS 96 2HD LYS 96 22.948 1.227 -8.811 741 1HE LYS 96 1HE LYS 96 24.021 0.467 -6.818 742 2HE LYS 96 2HE LYS 96 23.421 -0.957 -7.693 743 1HZ LYS 96 1HZ LYS 96 26.185 0.041 -7.704 744 2HZ LYS 96 2HZ LYS 96 25.631 -1.248 -6.837 745 3HZ LYS 96 3HZ LYS 96 25.647 -1.309 -8.483 746 H LYS 97 H LYS 97 21.042 0.908 -9.969 747 HA LYS 97 HA LYS 97 19.871 -1.226 -11.378 748 1HB LYS 97 1HB LYS 97 19.992 -1.118 -8.945 749 2HB LYS 97 2HB LYS 97 18.905 0.271 -8.924 750 1HG LYS 97 1HG LYS 97 17.722 -1.767 -8.302 751 2HG LYS 97 2HG LYS 97 17.055 -1.108 -9.793 752 1HD LYS 97 1HD LYS 97 18.306 -2.819 -11.100 753 2HD LYS 97 2HD LYS 97 19.046 -3.421 -9.601 754 1HE LYS 97 1HE LYS 97 16.767 -3.977 -8.743 755 2HE LYS 97 2HE LYS 97 16.077 -3.372 -10.264 756 1HZ LYS 97 1HZ LYS 97 17.283 -5.059 -11.420 757 2HZ LYS 97 2HZ LYS 97 17.933 -5.624 -10.012 758 3HZ LYS 97 3HZ LYS 97 16.307 -5.731 -10.272 759 H LYS 98 H LYS 98 18.745 2.113 -10.890 760 HA LYS 98 HA LYS 98 17.402 3.435 -12.063 761 1HB LYS 98 1HB LYS 98 18.218 2.005 -14.046 762 2HB LYS 98 2HB LYS 98 16.650 1.191 -13.956 763 1HG LYS 98 1HG LYS 98 15.543 3.455 -14.310 764 2HG LYS 98 2HG LYS 98 17.166 4.154 -14.395 765 1HD LYS 98 1HD LYS 98 16.752 3.897 -16.618 766 2HD LYS 98 2HD LYS 98 17.491 2.321 -16.317 767 1HE LYS 98 1HE LYS 98 14.498 2.964 -16.443 768 2HE LYS 98 2HE LYS 98 15.451 2.158 -17.699 769 1HZ LYS 98 1HZ LYS 98 15.854 0.378 -16.145 770 2HZ LYS 98 2HZ LYS 98 14.896 1.113 -15.020 771 3HZ LYS 98 3HZ LYS 98 14.244 0.588 -16.438 772 H GLU 99 H GLU 99 15.094 3.907 -12.395 773 HA GLU 99 HA GLU 99 13.288 3.000 -10.473 774 1HB GLU 99 1HB GLU 99 13.063 5.068 -11.738 775 2HB GLU 99 2HB GLU 99 12.747 4.162 -13.230 776 1HG GLU 99 1HG GLU 99 10.706 3.181 -12.219 777 2HG GLU 99 2HG GLU 99 11.032 4.035 -10.708 778 H GLU 100 H GLU 100 12.299 1.104 -10.205 779 HA GLU 100 HA GLU 100 11.353 -0.519 -12.462 780 1HB GLU 100 1HB GLU 100 13.699 -1.228 -12.241 781 2HB GLU 100 2HB GLU 100 13.470 -1.506 -10.511 782 1HG GLU 100 1HG GLU 100 11.724 -3.249 -11.073 783 2HG GLU 100 2HG GLU 100 12.066 -2.976 -12.788 784 H THR 101 H THR 101 9.288 -0.602 -11.799 785 HA THR 101 HA THR 101 8.514 -0.909 -9.003 786 HB THR 101 1HB THR 101 6.868 -0.969 -11.567 787 HG1 THR 101 HG1 THR 101 7.919 1.008 -11.162 788 1HG2 THR 101 1HG2 THR 101 5.668 -2.055 -9.683 789 2HG2 THR 101 2HG2 THR 101 6.059 -0.676 -8.634 790 H LYS 102 H LYS 102 9.509 -2.834 -8.380 791 HA LYS 102 HA LYS 102 9.066 -5.339 -9.782 792 1HB LYS 102 1HB LYS 102 11.124 -4.994 -8.623 793 2HB LYS 102 2HB LYS 102 10.300 -4.592 -7.114 794 1HG LYS 102 1HG LYS 102 11.265 -6.840 -7.060 795 2HG LYS 102 2HG LYS 102 9.513 -6.887 -6.859 796 1HD LYS 102 1HD LYS 102 9.241 -7.581 -9.225 797 2HD LYS 102 2HD LYS 102 10.988 -7.397 -9.484 798 1HE LYS 102 1HE LYS 102 10.439 -9.746 -9.186 799 2HE LYS 102 2HE LYS 102 11.407 -9.193 -7.808 800 1HZ LYS 102 1HZ LYS 102 8.483 -9.481 -7.849 801 2HZ LYS 102 2HZ LYS 102 9.544 -10.530 -7.146 802 3HZ LYS 102 3HZ LYS 102 9.385 -9.001 -6.554 803 H SER 103 H SER 103 6.912 -5.767 -9.914 804 HA SER 103 HA SER 103 5.144 -5.539 -7.588 805 1HB SER 103 1HB SER 103 3.384 -6.137 -9.187 806 2HB SER 103 2HB SER 103 4.355 -4.768 -9.761 807 HG SER 103 HG SER 103 3.990 -6.338 -11.383 808 H PHE 104 H PHE 104 4.290 -7.234 -6.456 809 HA PHE 104 HA PHE 104 4.332 -9.909 -7.467 810 1HB PHE 104 1HB PHE 104 5.621 -10.960 -5.679 811 2HB PHE 104 2HB PHE 104 6.618 -9.901 -6.652 812 HD1 PHE 104 HD1 PHE 104 7.463 -7.735 -5.720 813 HD2 PHE 104 HD2 PHE 104 5.253 -10.545 -3.308 814 HE1 PHE 104 HE1 PHE 104 8.454 -6.760 -3.667 815 HE2 PHE 104 HE2 PHE 104 6.230 -9.552 -1.259 816 HZ PHE 104 1HZ PHE 104 7.861 -7.683 -1.436 817 HA PRO 105 HA PRO 105 0.774 -9.698 -4.781 818 1HB PRO 105 1HB PRO 105 -0.085 -12.281 -4.789 819 2HB PRO 105 2HB PRO 105 -0.156 -11.243 -6.243 820 1HG PRO 105 1HG PRO 105 1.995 -13.255 -5.523 821 2HG PRO 105 2HG PRO 105 1.111 -13.104 -7.069 822 1HD PRO 105 1HD PRO 105 3.569 -11.987 -6.698 823 2HD PRO 105 2HD PRO 105 2.314 -11.154 -7.665 824 H ILE 106 H ILE 106 0.411 -9.872 -2.578 825 HA ILE 106 HA ILE 106 2.600 -10.740 -0.940 826 HB ILE 106 HB ILE 106 1.017 -8.775 -0.575 827 1HG1 ILE 106 1HG1 ILE 106 1.537 -10.662 1.756 828 2HG1 ILE 106 2HG1 ILE 106 2.697 -9.549 1.031 829 1HG2 ILE 106 1HG2 ILE 106 -1.111 -10.128 -0.839 830 2HG2 ILE 106 2HG2 ILE 106 -0.779 -10.858 0.745 831 3HG2 ILE 106 3HG2 ILE 106 -1.048 -9.115 0.608 832 1HD1 ILE 106 1HD1 ILE 106 1.117 -7.642 1.603 833 2HD1 ILE 106 2HD1 ILE 106 0.138 -8.821 2.513 834 3HD1 ILE 106 3HD1 ILE 106 1.803 -8.483 3.004 835 H THR 107 H THR 107 2.616 -12.416 0.643 836 HA THR 107 HA THR 107 1.294 -14.859 -0.161 837 HB THR 107 HB THR 107 2.477 -15.840 1.757 838 HG1 THR 107 HG1 THR 107 3.252 -13.172 2.309 839 1HG2 THR 107 1HG2 THR 107 3.718 -15.513 -0.356 840 2HG2 THR 107 2HG2 THR 107 4.271 -13.920 0.205 841 H GLU 108 H GLU 108 0.016 -16.188 1.273 842 HA GLU 108 HA GLU 108 -1.921 -14.718 2.959 843 1HB GLU 108 1HB GLU 108 -3.228 -16.707 2.916 844 2HB GLU 108 2HB GLU 108 -2.728 -16.325 1.263 845 1HG GLU 108 1HG GLU 108 -0.882 -18.050 1.498 846 2HG GLU 108 2HG GLU 108 -1.550 -18.474 3.084 847 H LYS 109 H LYS 109 0.961 -16.686 3.205 848 HA LYS 109 HA LYS 109 0.399 -17.656 5.897 849 1HB LYS 109 1HB LYS 109 2.797 -17.959 4.053 850 2HB LYS 109 2HB LYS 109 2.626 -18.710 5.654 851 1HG LYS 109 1HG LYS 109 0.551 -19.851 4.882 852 2HG LYS 109 2HG LYS 109 0.770 -19.129 3.274 853 1HD LYS 109 1HD LYS 109 2.917 -20.300 3.004 854 2HD LYS 109 2HD LYS 109 2.779 -20.961 4.645 855 1HE LYS 109 1HE LYS 109 2.126 -22.650 3.017 856 2HE LYS 109 2HE LYS 109 0.722 -22.184 3.993 857 1HZ LYS 109 1HZ LYS 109 1.332 -21.198 1.293 858 2HZ LYS 109 2HZ LYS 109 0.206 -22.342 1.669 859 3HZ LYS 109 3HZ LYS 109 0.009 -20.793 2.192 860 H GLY 110 H GLY 110 3.442 -16.073 4.734 861 1HA GLY 110 1HA GLY 110 3.403 -13.950 6.695 862 2HA GLY 110 2HA GLY 110 4.210 -15.392 7.311 863 H PHE 111 H PHE 111 4.177 -13.210 4.448 864 HA PHE 111 HA PHE 111 7.063 -13.552 3.977 865 1HB PHE 111 1HB PHE 111 5.722 -13.141 2.056 866 2HB PHE 111 2HB PHE 111 4.923 -11.762 2.788 867 HD1 PHE 111 HD1 PHE 111 8.232 -12.972 1.518 868 HD2 PHE 111 HD2 PHE 111 5.820 -9.559 2.572 869 HE1 PHE 111 HE1 PHE 111 9.928 -11.458 0.522 870 HE2 PHE 111 HE2 PHE 111 7.524 -8.050 1.592 871 HZ PHE 111 1HZ PHE 111 9.569 -8.998 0.545 872 H VAL 112 H VAL 112 8.566 -11.806 4.308 873 HA VAL 112 HA VAL 112 7.821 -9.818 6.401 874 HB VAL 112 HB VAL 112 10.270 -11.635 6.383 875 1HG1 VAL 112 1HG1 VAL 112 9.435 -9.429 8.318 876 2HG1 VAL 112 2HG1 VAL 112 10.768 -10.569 8.581 877 3HG1 VAL 112 3HG1 VAL 112 10.859 -9.413 7.253 878 1HG2 VAL 112 1HG2 VAL 112 7.870 -11.503 8.267 879 2HG2 VAL 112 2HG2 VAL 112 8.279 -12.847 7.177 880 3HG2 VAL 112 3HG2 VAL 112 9.333 -12.471 8.541 881 H VAL 113 H VAL 113 8.773 -7.842 6.174 882 HA VAL 113 HA VAL 113 9.752 -7.093 3.608 883 HB VAL 113 HB VAL 113 9.718 -5.599 6.256 884 1HG1 VAL 113 1HG1 VAL 113 10.120 -4.544 3.421 885 2HG1 VAL 113 2HG1 VAL 113 9.907 -3.555 4.879 886 3HG1 VAL 113 3HG1 VAL 113 11.350 -4.559 4.702 887 1HG2 VAL 113 1HG2 VAL 113 7.828 -5.539 3.860 888 2HG2 VAL 113 2HG2 VAL 113 7.471 -6.251 5.448 889 3HG2 VAL 113 3HG2 VAL 113 7.713 -4.505 5.301 890 HA PRO 114 HA PRO 114 13.951 -8.402 4.673 891 1HB PRO 114 1HB PRO 114 15.249 -7.864 2.341 892 2HB PRO 114 2HB PRO 114 14.014 -9.151 2.463 893 1HG PRO 114 1HG PRO 114 13.609 -6.305 1.495 894 2HG PRO 114 2HG PRO 114 13.141 -7.817 0.661 895 1HD PRO 114 1HD PRO 114 11.378 -6.415 2.181 896 2HD PRO 114 2HD PRO 114 11.368 -8.205 2.187 897 H ASP 115 H ASP 115 16.035 -7.479 5.077 898 HA ASP 115 HA ASP 115 16.065 -4.642 5.748 899 1HB ASP 115 1HB ASP 115 18.305 -5.124 6.623 900 2HB ASP 115 2HB ASP 115 17.047 -6.165 7.290 901 H LEU 116 H LEU 116 15.686 -3.791 3.676 902 HA LEU 116 HA LEU 116 17.429 -4.400 1.459 903 1HB LEU 116 1HB LEU 116 14.942 -4.079 1.414 904 2HB LEU 116 2HB LEU 116 15.172 -2.372 1.748 905 HG LEU 116 HG LEU 116 14.697 -2.800 -0.581 906 1HD1 LEU 116 1HD1 LEU 116 16.346 -0.949 0.084 907 2HD1 LEU 116 2HD1 LEU 116 17.620 -2.007 -0.556 908 3HD1 LEU 116 3HD1 LEU 116 16.299 -1.445 -1.605 909 1HD2 LEU 116 1HD2 LEU 116 15.632 -5.107 -0.705 910 2HD2 LEU 116 2HD2 LEU 116 16.096 -4.077 -2.068 911 3HD2 LEU 116 3HD2 LEU 116 17.269 -4.418 -0.789 912 H SER 117 H SER 117 19.481 -3.605 1.735 913 HA SER 117 HA SER 117 19.971 -0.797 1.396 914 1HB SER 117 1HB SER 117 19.504 -0.723 3.827 915 2HB SER 117 2HB SER 117 20.697 -2.001 4.108 916 HG SER 117 HG SER 117 21.186 0.551 2.954 917 H GLU 118 H GLU 118 20.906 -1.950 -0.448 918 HA GLU 118 HA GLU 118 23.718 -2.498 -0.034 919 1HB GLU 118 1HB GLU 118 23.367 -4.775 -1.416 920 2HB GLU 118 2HB GLU 118 23.502 -4.650 0.324 921 1HG GLU 118 1HG GLU 118 21.783 -6.182 -0.170 922 2HG GLU 118 2HG GLU 118 21.064 -4.795 0.619 923 H HIS 119 H HIS 119 22.104 -3.791 -2.920 924 HA HIS 119 HA HIS 119 23.615 -1.950 -4.521 925 1HB HIS 119 1HB HIS 119 22.788 -3.058 -6.394 926 2HB HIS 119 2HB HIS 119 23.040 -4.292 -5.165 927 HD1 HIS 119 HD1 HIS 119 20.616 -5.120 -3.933 928 HD2 HIS 119 HD2 HIS 119 20.509 -3.081 -7.604 929 HE1 HIS 119 HE1 HIS 119 18.338 -5.618 -4.978 930 H ILE 120 H ILE 120 20.552 -1.684 -2.980 931 HA ILE 120 HA ILE 120 20.092 0.962 -4.196 932 HB ILE 120 HB ILE 120 17.596 0.357 -4.188 933 1HG1 ILE 120 1HG1 ILE 120 18.645 -2.499 -4.453 934 2HG1 ILE 120 2HG1 ILE 120 17.997 -1.848 -2.928 935 1HG2 ILE 120 1HG2 ILE 120 19.088 0.630 -6.226 936 2HG2 ILE 120 2HG2 ILE 120 19.206 -1.127 -6.297 937 3HG2 ILE 120 3HG2 ILE 120 17.627 -0.325 -6.465 938 1HD1 ILE 120 1HD1 ILE 120 15.856 -1.389 -4.036 939 2HD1 ILE 120 2HD1 ILE 120 16.479 -2.072 -5.563 940 3HD1 ILE 120 3HD1 ILE 120 16.284 -3.108 -4.148 941 H LYS 121 H LYS 121 18.633 2.272 -2.860 942 HA LYS 121 HA LYS 121 18.199 1.432 -0.099 943 1HB LYS 121 1HB LYS 121 19.704 3.154 0.881 944 2HB LYS 121 2HB LYS 121 20.524 1.845 0.054 945 1HG LYS 121 1HG LYS 121 21.706 3.780 -0.465 946 2HG LYS 121 2HG LYS 121 20.869 3.335 -1.952 947 1HD LYS 121 1HD LYS 121 19.231 5.139 -1.598 948 2HD LYS 121 2HD LYS 121 19.905 5.464 0.018 949 1HE LYS 121 1HE LYS 121 22.085 6.056 -1.071 950 2HE LYS 121 2HE LYS 121 21.315 5.837 -2.656 951 1HZ LYS 121 1HZ LYS 121 19.771 7.568 -2.042 952 2HZ LYS 121 2HZ LYS 121 20.512 7.759 -0.584 953 3HZ LYS 121 3HZ LYS 121 21.325 8.114 -1.973 954 H ASN 122 H ASN 122 16.539 2.460 -2.336 955 HA ASN 122 HA ASN 122 15.125 4.395 -0.636 956 1HB ASN 122 1HB ASN 122 14.823 6.058 -2.257 957 2HB ASN 122 2HB ASN 122 16.555 5.751 -2.195 958 1HD2 ASN 122 1HD2 ASN 122 16.482 4.042 -5.495 959 2HD2 ASN 122 2HD2 ASN 122 17.130 3.749 -3.895 960 HA PRO 123 HA PRO 123 12.616 1.135 -3.031 961 1HB PRO 123 1HB PRO 123 11.832 -0.495 -0.989 962 2HB PRO 123 2HB PRO 123 13.378 -0.713 -1.855 963 1HG PRO 123 1HG PRO 123 12.936 0.801 0.744 964 2HG PRO 123 2HG PRO 123 14.099 -0.517 0.443 965 1HD PRO 123 1HD PRO 123 14.929 2.016 0.230 966 2HD PRO 123 2HD PRO 123 15.373 0.871 -1.062 967 H GLY 124 H GLY 124 10.512 1.563 -3.343 968 1HA GLY 124 1HA GLY 124 9.000 3.231 -1.359 969 2HA GLY 124 2HA GLY 124 8.922 3.334 -3.123 970 H PHE 125 H PHE 125 8.447 1.008 -0.449 971 HA PHE 125 HA PHE 125 6.982 -0.986 -1.820 972 1HB PHE 125 1HB PHE 125 7.284 -0.161 1.057 973 2HB PHE 125 2HB PHE 125 6.167 -1.444 0.597 974 HD1 PHE 125 HD1 PHE 125 9.779 -0.446 0.472 975 HD2 PHE 125 HD2 PHE 125 6.905 -3.654 0.293 976 HE1 PHE 125 HE1 PHE 125 11.606 -2.114 0.713 977 HE2 PHE 125 HE2 PHE 125 8.745 -5.309 0.408 978 HZ PHE 125 1HZ PHE 125 11.101 -4.538 0.606 979 H ASN 126 H ASN 126 5.322 -0.209 -3.112 980 HA ASN 126 HA ASN 126 3.170 1.426 -1.921 981 1HB ASN 126 1HB ASN 126 3.706 0.437 -4.735 982 2HB ASN 126 2HB ASN 126 2.264 1.330 -4.258 983 1HD2 ASN 126 1HD2 ASN 126 3.903 4.487 -3.845 984 2HD2 ASN 126 2HD2 ASN 126 2.592 3.504 -3.229 985 H LEU 127 H LEU 127 2.044 0.150 -0.514 986 HA LEU 127 HA LEU 127 1.005 -2.486 -1.322 987 1HB LEU 127 1HB LEU 127 0.734 -0.780 1.174 988 2HB LEU 127 2HB LEU 127 -0.234 -2.221 0.904 989 HG LEU 127 HG LEU 127 1.673 -2.612 2.363 990 1HD1 LEU 127 1HD1 LEU 127 0.656 -4.452 1.054 991 2HD1 LEU 127 2HD1 LEU 127 1.867 -4.208 -0.222 992 3HD1 LEU 127 3HD1 LEU 127 2.373 -4.716 1.395 993 1HD2 LEU 127 1HD2 LEU 127 3.322 -1.088 1.263 994 2HD2 LEU 127 2HD2 LEU 127 3.947 -2.712 1.604 995 3HD2 LEU 127 3HD2 LEU 127 3.495 -2.280 -0.051 996 H ILE 128 H ILE 128 -0.014 -1.712 -3.240 997 HA ILE 128 HA ILE 128 -2.452 -0.051 -2.941 998 HB ILE 128 HB ILE 128 -0.964 -1.167 -5.342 999 1HG1 ILE 128 1HG1 ILE 128 -1.403 1.723 -4.458 1000 2HG1 ILE 128 2HG1 ILE 128 0.016 0.749 -4.021 1001 1HG2 ILE 128 1HG2 ILE 128 -3.481 0.563 -5.233 1002 2HG2 ILE 128 2HG2 ILE 128 -2.574 0.171 -6.707 1003 3HG2 ILE 128 3HG2 ILE 128 -3.392 -1.108 -5.823 1004 1HD1 ILE 128 1HD1 ILE 128 0.578 0.485 -6.423 1005 2HD1 ILE 128 2HD1 ILE 128 -0.811 1.508 -6.866 1006 3HD1 ILE 128 3HD1 ILE 128 0.527 2.187 -5.932 1007 H THR 129 H THR 129 -4.321 -1.057 -2.529 1008 HA THR 129 HA THR 129 -4.862 -3.777 -3.578 1009 HB THR 129 1HB THR 129 -5.140 -2.942 -0.657 1010 HG1 THR 129 HG1 THR 129 -3.047 -3.537 -1.272 1011 1HG2 THR 129 1HG2 THR 129 -5.883 -5.288 -0.307 1012 2HG2 THR 129 2HG2 THR 129 -7.033 -4.381 -1.296 1013 H LYS 130 H LYS 130 -6.930 -4.022 -4.237 1014 HA LYS 130 HA LYS 130 -8.615 -1.629 -4.360 1015 1HB LYS 130 1HB LYS 130 -7.954 -3.466 -6.185 1016 2HB LYS 130 2HB LYS 130 -9.347 -4.316 -5.539 1017 1HG LYS 130 1HG LYS 130 -9.240 -1.511 -6.740 1018 2HG LYS 130 2HG LYS 130 -9.843 -2.957 -7.539 1019 1HD LYS 130 1HD LYS 130 -11.097 -1.520 -5.174 1020 2HD LYS 130 2HD LYS 130 -11.674 -1.560 -6.837 1021 1HE LYS 130 1HE LYS 130 -11.591 -3.935 -4.923 1022 2HE LYS 130 2HE LYS 130 -13.011 -3.032 -5.448 1023 1HZ LYS 130 1HZ LYS 130 -12.574 -3.753 -7.681 1024 2HZ LYS 130 2HZ LYS 130 -11.257 -4.613 -7.184 1025 3HZ LYS 130 3HZ LYS 130 -12.762 -5.042 -6.670 1026 H VAL 131 H VAL 131 -10.454 -1.343 -3.097 1027 HA VAL 131 HA VAL 131 -11.664 -3.710 -1.780 1028 HB VAL 131 HB VAL 131 -11.961 -2.588 0.296 1029 1HG1 VAL 131 1HG1 VAL 131 -9.774 -3.756 -0.074 1030 2HG1 VAL 131 2HG1 VAL 131 -9.041 -2.194 -0.479 1031 3HG1 VAL 131 3HG1 VAL 131 -9.703 -2.469 1.142 1032 1HG2 VAL 131 1HG2 VAL 131 -10.571 -0.163 -0.914 1033 2HG2 VAL 131 2HG2 VAL 131 -12.262 -0.267 -0.366 1034 3HG2 VAL 131 3HG2 VAL 131 -10.953 -0.379 0.808 1035 H VAL 132 H VAL 132 -13.847 -3.739 -1.679 1036 HA VAL 132 HA VAL 132 -15.296 -1.694 -3.255 1037 HB VAL 132 HB VAL 132 -16.184 -4.415 -2.222 1038 1HG1 VAL 132 1HG1 VAL 132 -17.472 -2.449 -4.174 1039 2HG1 VAL 132 2HG1 VAL 132 -18.049 -4.100 -3.862 1040 3HG1 VAL 132 3HG1 VAL 132 -18.106 -2.889 -2.578 1041 1HG2 VAL 132 1HG2 VAL 132 -15.321 -3.534 -5.011 1042 2HG2 VAL 132 2HG2 VAL 132 -14.416 -4.637 -3.946 1043 3HG2 VAL 132 3HG2 VAL 132 -15.989 -5.121 -4.586 1044 H ILE 133 H ILE 133 -16.900 -0.456 -2.397 1045 HA ILE 133 HA ILE 133 -17.584 -0.613 0.478 1046 HB ILE 133 HB ILE 133 -16.851 2.011 -0.851 1047 1HG1 ILE 133 1HG1 ILE 133 -14.929 0.199 0.674 1048 2HG1 ILE 133 2HG1 ILE 133 -14.837 0.681 -1.037 1049 1HG2 ILE 133 1HG2 ILE 133 -18.199 1.972 1.299 1050 2HG2 ILE 133 2HG2 ILE 133 -16.810 1.189 2.077 1051 3HG2 ILE 133 3HG2 ILE 133 -16.686 2.840 1.426 1052 1HD1 ILE 133 1HD1 ILE 133 -14.589 3.081 -0.258 1053 2HD1 ILE 133 2HD1 ILE 133 -14.482 2.485 1.420 1054 3HD1 ILE 133 3HD1 ILE 133 -13.263 2.010 0.238 1055 H GLU 134 H GLU 134 -19.657 0.500 0.932 1056 HA GLU 134 HA GLU 134 -21.194 1.409 -1.424 1057 1HB GLU 134 1HB GLU 134 -23.037 -0.092 -1.045 1058 2HB GLU 134 2HB GLU 134 -21.557 -1.024 -1.308 1059 1HG GLU 134 1HG GLU 134 -21.335 -1.372 1.130 1060 2HG GLU 134 2HG GLU 134 -22.790 -0.417 1.427 1061 H LYS 135 H LYS 135 -20.106 2.636 1.148 1062 HA LYS 135 HA LYS 135 -20.677 4.486 2.222 1063 1HB LYS 135 1HB LYS 135 -22.117 4.662 0.023 1064 2HB LYS 135 2HB LYS 135 -23.494 4.501 1.101 1065 1HG LYS 135 1HG LYS 135 -21.279 6.599 1.287 1066 2HG LYS 135 2HG LYS 135 -22.801 6.821 0.433 1067 1HD LYS 135 1HD LYS 135 -22.493 6.480 3.435 1068 2HD LYS 135 2HD LYS 135 -22.875 7.951 2.537 1069 1HE LYS 135 1HE LYS 135 -24.973 6.855 1.697 1070 2HE LYS 135 2HE LYS 135 -24.654 5.503 2.806 1071 1HZ LYS 135 1HZ LYS 135 -24.998 8.310 3.580 1072 2HZ LYS 135 2HZ LYS 135 -26.110 7.107 3.767 1073 3HZ LYS 135 3HZ LYS 135 -24.693 7.057 4.607 1074 H LYS 136 H LYS 136 -21.268 4.898 4.322 1075 HA LYS 136 HA LYS 136 -22.301 2.929 6.009 1076 1HB LYS 136 1HB LYS 136 -20.925 4.861 6.721 1077 2HB LYS 136 2HB LYS 136 -22.248 5.953 6.350 1078 1HG LYS 136 1HG LYS 136 -22.209 5.668 8.713 1079 2HG LYS 136 2HG LYS 136 -23.637 4.849 8.113 1080 1HD LYS 136 1HD LYS 136 -22.725 3.438 9.775 1081 2HD LYS 136 2HD LYS 136 -22.361 2.655 8.242 1082 1HE LYS 136 1HE LYS 136 -20.436 2.499 9.692 1083 2HE LYS 136 2HE LYS 136 -20.019 3.610 8.384 1084 1HZ LYS 136 1HZ LYS 136 -20.887 4.378 11.078 1085 2HZ LYS 136 2HZ LYS 136 -19.337 4.411 10.515 1086 3HZ LYS 136 3HZ LYS 136 -20.468 5.421 9.871 No H/Q in entry = 1086 Start of MODEL 7 1 H SER 1 H SER 1 -17.096 10.625 6.667 2 HA SER 1 HA SER 1 -18.596 11.794 4.380 3 1HB SER 1 1HB SER 1 -16.181 12.924 5.866 4 2HB SER 1 2HB SER 1 -16.939 13.642 4.429 5 HG SER 1 HG SER 1 -17.716 14.547 6.376 6 H SER 2 H SER 2 -15.428 10.536 5.474 7 HA SER 2 HA SER 2 -13.645 9.711 4.432 8 1HB SER 2 1HB SER 2 -14.030 7.791 2.990 9 2HB SER 2 2HB SER 2 -15.165 7.811 4.342 10 HG SER 2 HG SER 2 -16.735 8.640 2.912 11 H SER 3 H SER 3 -14.206 9.039 1.287 12 HA SER 3 HA SER 3 -13.636 9.900 -0.664 13 1HB SER 3 1HB SER 3 -15.404 11.588 -0.059 14 2HB SER 3 2HB SER 3 -14.101 12.698 0.422 15 HG SER 3 HG SER 3 -14.748 12.989 -1.734 16 H PHE 4 H PHE 4 -11.672 10.143 1.936 17 HA PHE 4 HA PHE 4 -9.639 10.912 2.491 18 1HB PHE 4 1HB PHE 4 -9.129 10.432 -0.469 19 2HB PHE 4 2HB PHE 4 -7.886 10.885 0.692 20 HD1 PHE 4 HD1 PHE 4 -10.117 8.657 2.413 21 HD2 PHE 4 HD2 PHE 4 -6.937 8.782 -0.509 22 HE1 PHE 4 HE1 PHE 4 -9.527 6.350 2.956 23 HE2 PHE 4 HE2 PHE 4 -6.313 6.459 0.101 24 HZ PHE 4 1HZ PHE 4 -7.568 5.255 1.874 25 H ASP 5 H ASP 5 -10.940 12.866 2.944 26 HA ASP 5 HA ASP 5 -10.457 15.206 1.244 27 1HB ASP 5 1HB ASP 5 -12.609 14.836 2.398 28 2HB ASP 5 2HB ASP 5 -11.795 14.907 3.964 29 H LYS 6 H LYS 6 -8.098 14.678 1.429 30 HA LYS 6 HA LYS 6 -6.786 15.989 3.759 31 1HB LYS 6 1HB LYS 6 -6.098 13.375 2.367 32 2HB LYS 6 2HB LYS 6 -5.024 14.167 3.519 33 1HG LYS 6 1HG LYS 6 -7.842 13.492 4.429 34 2HG LYS 6 2HG LYS 6 -6.689 12.199 4.200 35 1HD LYS 6 1HD LYS 6 -6.647 12.854 6.494 36 2HD LYS 6 2HD LYS 6 -5.097 13.286 5.761 37 1HE LYS 6 1HE LYS 6 -5.716 15.631 5.681 38 2HE LYS 6 2HE LYS 6 -7.383 15.254 6.185 39 1HZ LYS 6 1HZ LYS 6 -4.961 14.832 7.780 40 2HZ LYS 6 2HZ LYS 6 -6.055 16.049 7.981 41 3HZ LYS 6 3HZ LYS 6 -6.501 14.486 8.256 42 H GLY 7 H GLY 7 -6.951 15.388 0.301 43 1HA GLY 7 1HA GLY 7 -6.141 16.732 -1.367 44 2HA GLY 7 2HA GLY 7 -5.096 17.594 -0.232 45 H LYS 8 H LYS 8 -5.171 14.063 -0.394 46 HA LYS 8 HA LYS 8 -3.612 12.518 -0.802 47 1HB LYS 8 1HB LYS 8 -3.143 14.132 -3.336 48 2HB LYS 8 2HB LYS 8 -2.836 12.403 -3.089 49 1HG LYS 8 1HG LYS 8 -5.305 12.082 -2.678 50 2HG LYS 8 2HG LYS 8 -5.550 13.795 -3.074 51 1HD LYS 8 1HD LYS 8 -4.466 13.388 -5.305 52 2HD LYS 8 2HD LYS 8 -4.406 11.655 -4.914 53 1HE LYS 8 1HE LYS 8 -6.890 11.653 -4.660 54 2HE LYS 8 2HE LYS 8 -6.924 13.378 -5.077 55 1HZ LYS 8 1HZ LYS 8 -5.985 12.825 -7.195 56 2HZ LYS 8 2HZ LYS 8 -5.959 11.221 -6.813 57 3HZ LYS 8 3HZ LYS 8 -7.399 12.011 -6.955 58 H TYR 9 H TYR 9 -2.539 14.045 1.058 59 HA TYR 9 HA TYR 9 0.027 15.207 0.141 60 1HB TYR 9 1HB TYR 9 -1.541 16.641 1.306 61 2HB TYR 9 2HB TYR 9 -1.611 15.531 2.668 62 HD1 TYR 9 HD1 TYR 9 0.949 17.428 0.632 63 HD2 TYR 9 HD2 TYR 9 -0.258 16.047 4.538 64 HE1 TYR 9 HE1 TYR 9 2.865 18.622 1.649 65 HE2 TYR 9 HE2 TYR 9 1.639 17.270 5.553 66 HH TYR 9 HH TYR 9 3.981 19.146 3.590 67 H LYS 10 H LYS 10 1.406 13.455 -0.012 68 HA LYS 10 HA LYS 10 1.736 11.566 2.219 69 1HB LYS 10 1HB LYS 10 3.169 11.794 -0.458 70 2HB LYS 10 2HB LYS 10 3.376 10.506 0.731 71 1HG LYS 10 1HG LYS 10 1.901 9.432 -0.591 72 2HG LYS 10 2HG LYS 10 0.777 10.207 0.509 73 1HD LYS 10 1HD LYS 10 -0.239 10.779 -1.447 74 2HD LYS 10 2HD LYS 10 0.881 12.142 -1.413 75 1HE LYS 10 1HE LYS 10 1.259 9.525 -2.922 76 2HE LYS 10 2HE LYS 10 0.832 11.091 -3.619 77 1HZ LYS 10 1HZ LYS 10 2.943 11.926 -2.877 78 2HZ LYS 10 2HZ LYS 10 3.345 10.456 -2.247 79 3HZ LYS 10 3HZ LYS 10 3.142 10.627 -3.873 80 H LYS 11 H LYS 11 2.278 14.311 2.886 81 HA LYS 11 HA LYS 11 3.738 15.712 3.760 82 1HB LYS 11 1HB LYS 11 3.902 13.844 5.344 83 2HB LYS 11 2HB LYS 11 5.333 13.240 4.507 84 1HG LYS 11 1HG LYS 11 6.310 15.637 4.912 85 2HG LYS 11 2HG LYS 11 4.950 15.858 6.013 86 1HD LYS 11 1HD LYS 11 7.199 13.798 6.219 87 2HD LYS 11 2HD LYS 11 6.959 15.241 7.204 88 1HE LYS 11 1HE LYS 11 6.196 13.582 8.611 89 2HE LYS 11 2HE LYS 11 4.684 14.163 7.895 90 1HZ LYS 11 1HZ LYS 11 6.230 11.799 7.062 91 2HZ LYS 11 2HZ LYS 11 4.839 11.776 7.945 92 3HZ LYS 11 3HZ LYS 11 4.814 12.291 6.381 93 H GLY 12 H GLY 12 6.515 13.671 3.042 94 1HA GLY 12 1HA GLY 12 7.067 14.685 0.422 95 2HA GLY 12 2HA GLY 12 8.088 15.472 1.651 96 H ASP 13 H ASP 13 6.748 12.183 1.103 97 HA ASP 13 HA ASP 13 9.455 10.950 1.442 98 1HB ASP 13 1HB ASP 13 6.806 10.068 2.669 99 2HB ASP 13 2HB ASP 13 8.335 9.177 2.752 100 H ASP 14 H ASP 14 9.126 11.306 -0.984 101 HA ASP 14 HA ASP 14 8.614 8.766 -2.148 102 1HB ASP 14 1HB ASP 14 6.842 9.513 -3.772 103 2HB ASP 14 2HB ASP 14 6.287 9.243 -2.126 104 H ALA 15 H ALA 15 10.311 8.621 -3.441 105 HA ALA 15 HA ALA 15 11.560 11.026 -4.563 106 1HB ALA 15 1HB ALA 15 12.941 9.383 -3.409 107 2HB ALA 15 2HB ALA 15 12.454 8.120 -4.557 108 3HB ALA 15 3HB ALA 15 13.396 9.522 -5.116 109 H SER 16 H SER 16 10.773 7.782 -5.884 110 HA SER 16 HA SER 16 9.984 7.013 -7.790 111 1HB SER 16 1HB SER 16 8.076 8.498 -7.468 112 2HB SER 16 2HB SER 16 8.887 9.804 -8.350 113 HG SER 16 HG SER 16 8.259 7.245 -9.382 114 H TYR 17 H TYR 17 10.881 10.278 -8.950 115 HA TYR 17 HA TYR 17 13.477 9.311 -9.816 116 1HB TYR 17 1HB TYR 17 11.434 10.342 -11.782 117 2HB TYR 17 2HB TYR 17 13.134 10.750 -11.996 118 HD1 TYR 17 HD1 TYR 17 14.867 8.762 -11.727 119 HD2 TYR 17 HD2 TYR 17 10.766 8.400 -13.013 120 HE1 TYR 17 HE1 TYR 17 15.445 6.712 -12.989 121 HE2 TYR 17 HE2 TYR 17 11.370 6.402 -14.347 122 HH TYR 17 HH TYR 17 14.697 5.064 -14.400 123 H PHE 18 H PHE 18 13.765 10.423 -7.805 124 HA PHE 18 HA PHE 18 14.564 13.182 -8.366 125 1HB PHE 18 1HB PHE 18 12.244 13.290 -7.364 126 2HB PHE 18 2HB PHE 18 12.879 12.496 -5.926 127 HD1 PHE 18 HD1 PHE 18 13.618 15.451 -8.166 128 HD2 PHE 18 HD2 PHE 18 13.462 13.927 -4.132 129 HE1 PHE 18 HE1 PHE 18 14.283 17.676 -7.295 130 HE2 PHE 18 HE2 PHE 18 14.132 16.152 -3.271 131 HZ PHE 18 1HZ PHE 18 14.547 18.028 -4.849 132 H GLU 19 H GLU 19 15.885 10.626 -8.138 133 HA GLU 19 HA GLU 19 17.800 9.827 -7.473 134 1HB GLU 19 1HB GLU 19 18.172 12.666 -6.410 135 2HB GLU 19 2HB GLU 19 19.444 11.465 -6.353 136 1HG GLU 19 1HG GLU 19 19.761 12.797 -8.307 137 2HG GLU 19 2HG GLU 19 19.353 11.146 -8.786 138 HA PRO 20 HA PRO 20 17.571 8.094 -3.471 139 1HB PRO 20 1HB PRO 20 20.525 8.272 -3.007 140 2HB PRO 20 2HB PRO 20 19.455 6.842 -3.049 141 1HG PRO 20 1HG PRO 20 21.118 7.387 -5.115 142 2HG PRO 20 2HG PRO 20 19.448 6.812 -5.418 143 1HD PRO 20 1HD PRO 20 20.451 9.670 -5.392 144 2HD PRO 20 2HD PRO 20 19.529 8.827 -6.664 145 H THR 21 H THR 21 16.455 9.492 -2.232 146 HA THR 21 HA THR 21 17.885 11.567 -0.625 147 HB THR 21 HB THR 21 15.597 12.536 -0.357 148 HG1 THR 21 HG1 THR 21 14.942 10.717 -2.436 149 1HG2 THR 21 1HG2 THR 21 16.617 12.311 -3.223 150 2HG2 THR 21 2HG2 THR 21 15.515 13.555 -2.597 151 H GLY 22 H GLY 22 15.497 8.893 -0.554 152 1HA GLY 22 1HA GLY 22 16.468 7.713 1.709 153 2HA GLY 22 2HA GLY 22 15.237 8.834 2.331 154 HA PRO 23 HA PRO 23 13.146 4.986 0.425 155 1HB PRO 23 1HB PRO 23 13.160 3.087 2.327 156 2HB PRO 23 2HB PRO 23 14.614 3.381 1.341 157 1HG PRO 23 1HG PRO 23 14.058 4.523 4.095 158 2HG PRO 23 2HG PRO 23 15.510 3.626 3.560 159 1HD PRO 23 1HD PRO 23 15.386 6.363 3.567 160 2HD PRO 23 2HD PRO 23 16.272 5.470 2.299 161 H TYR 24 H TYR 24 11.019 4.182 0.995 162 HA TYR 24 HA TYR 24 9.566 5.522 3.163 163 1HB TYR 24 1HB TYR 24 8.130 6.781 1.622 164 2HB TYR 24 2HB TYR 24 9.794 7.331 1.567 165 HD1 TYR 24 HD1 TYR 24 11.296 6.615 -0.384 166 HD2 TYR 24 HD2 TYR 24 7.016 6.125 -0.398 167 HE1 TYR 24 HE1 TYR 24 11.334 6.422 -2.845 168 HE2 TYR 24 HE2 TYR 24 7.042 6.040 -2.877 169 HH TYR 24 HH TYR 24 8.335 6.098 -4.783 170 H LEU 25 H LEU 25 7.234 5.074 3.055 171 HA LEU 25 HA LEU 25 6.403 2.664 1.609 172 1HB LEU 25 1HB LEU 25 7.601 1.838 3.570 173 2HB LEU 25 2HB LEU 25 6.607 2.802 4.654 174 HG LEU 25 HG LEU 25 5.298 0.772 2.822 175 1HD1 LEU 25 1HD1 LEU 25 6.692 0.153 5.454 176 2HD1 LEU 25 2HD1 LEU 25 5.577 -0.941 4.608 177 3HD1 LEU 25 3HD1 LEU 25 7.106 -0.493 3.848 178 1HD2 LEU 25 1HD2 LEU 25 3.840 2.247 4.196 179 2HD2 LEU 25 2HD2 LEU 25 3.715 0.552 4.684 180 3HD2 LEU 25 3HD2 LEU 25 4.660 1.679 5.660 181 H MET 26 H MET 26 4.254 2.795 1.136 182 HA MET 26 HA MET 26 2.664 5.070 2.275 183 1HB MET 26 1HB MET 26 3.039 4.094 -0.574 184 2HB MET 26 2HB MET 26 1.765 5.225 -0.084 185 1HG MET 26 1HG MET 26 3.310 6.911 0.520 186 2HG MET 26 2HG MET 26 4.677 5.800 0.558 187 1HE MET 26 1HE MET 26 2.033 7.407 -1.806 188 2HE MET 26 2HE MET 26 2.747 7.134 -3.414 189 3HE MET 26 3HE MET 26 2.107 5.762 -2.484 190 H VAL 27 H VAL 27 0.618 4.611 2.894 191 HA VAL 27 HA VAL 27 -0.346 1.798 2.568 192 HB VAL 27 HB VAL 27 -0.561 3.507 5.077 193 1HG1 VAL 27 1HG1 VAL 27 -2.206 1.674 4.789 194 2HG1 VAL 27 2HG1 VAL 27 -0.883 0.517 4.533 195 3HG1 VAL 27 3HG1 VAL 27 -1.074 1.313 6.106 196 1HG2 VAL 27 1HG2 VAL 27 1.518 1.414 4.386 197 2HG2 VAL 27 2HG2 VAL 27 1.807 3.138 4.753 198 3HG2 VAL 27 3HG2 VAL 27 1.214 2.061 6.016 199 H ASN 28 H ASN 28 -1.925 2.185 1.014 200 HA ASN 28 HA ASN 28 -4.337 3.633 1.934 201 1HB ASN 28 1HB ASN 28 -2.785 4.277 -0.602 202 2HB ASN 28 2HB ASN 28 -4.435 4.840 -0.268 203 1HD2 ASN 28 1HD2 ASN 28 -3.584 7.268 2.174 204 2HD2 ASN 28 2HD2 ASN 28 -4.820 6.120 1.712 205 H VAL 29 H VAL 29 -6.035 3.475 0.048 206 HA VAL 29 HA VAL 29 -5.977 0.801 -1.228 207 HB VAL 29 HB VAL 29 -8.237 0.337 -0.420 208 1HG1 VAL 29 1HG1 VAL 29 -6.267 -0.497 0.873 209 2HG1 VAL 29 2HG1 VAL 29 -6.418 0.921 1.939 210 3HG1 VAL 29 3HG1 VAL 29 -7.723 -0.274 1.862 211 1HG2 VAL 29 1HG2 VAL 29 -7.967 2.869 1.247 212 2HG2 VAL 29 2HG2 VAL 29 -9.154 2.559 -0.039 213 3HG2 VAL 29 3HG2 VAL 29 -9.217 1.629 1.457 214 H THR 30 H THR 30 -7.221 0.597 -3.070 215 HA THR 30 HA THR 30 -8.040 3.104 -4.378 216 HB THR 30 HB THR 30 -8.090 0.254 -5.450 217 HG1 THR 30 HG1 THR 30 -6.130 0.878 -6.396 218 1HG2 THR 30 1HG2 THR 30 -8.061 1.401 -7.636 219 2HG2 THR 30 2HG2 THR 30 -9.499 1.872 -6.719 220 H GLY 31 H GLY 31 -9.774 3.690 -3.032 221 1HA GLY 31 1HA GLY 31 -11.956 1.958 -2.346 222 2HA GLY 31 2HA GLY 31 -11.875 3.715 -2.173 223 H VAL 32 H VAL 32 -13.540 1.311 -3.714 224 HA VAL 32 HA VAL 32 -14.487 3.107 -5.891 225 HB VAL 32 HB VAL 32 -14.659 1.125 -7.354 226 1HG1 VAL 32 1HG1 VAL 32 -11.824 1.668 -6.413 227 2HG1 VAL 32 2HG1 VAL 32 -12.285 0.883 -7.933 228 3HG1 VAL 32 3HG1 VAL 32 -12.727 2.568 -7.650 229 1HG2 VAL 32 1HG2 VAL 32 -14.687 -0.645 -5.575 230 2HG2 VAL 32 2HG2 VAL 32 -13.529 -0.946 -6.874 231 3HG2 VAL 32 3HG2 VAL 32 -12.956 -0.349 -5.304 232 H ASP 33 H ASP 33 -16.541 2.285 -6.842 233 HA ASP 33 HA ASP 33 -18.475 1.324 -4.816 234 1HB ASP 33 1HB ASP 33 -18.749 2.217 -7.720 235 2HB ASP 33 2HB ASP 33 -20.096 1.715 -6.692 236 H SER 34 H SER 34 -20.090 -0.333 -5.866 237 HA SER 34 HA SER 34 -18.818 -2.816 -6.423 238 1HB SER 34 1HB SER 34 -21.084 -2.583 -5.470 239 2HB SER 34 2HB SER 34 -21.668 -1.893 -6.999 240 HG SER 34 HG SER 34 -21.066 -3.862 -8.003 241 H LYS 35 H LYS 35 -20.145 -0.240 -8.505 242 HA LYS 35 HA LYS 35 -19.882 -1.462 -11.049 243 1HB LYS 35 1HB LYS 35 -19.548 1.447 -10.188 244 2HB LYS 35 2HB LYS 35 -19.757 0.903 -11.856 245 1HG LYS 35 1HG LYS 35 -21.812 0.559 -9.619 246 2HG LYS 35 2HG LYS 35 -21.816 1.815 -10.862 247 1HD LYS 35 1HD LYS 35 -21.949 0.042 -12.629 248 2HD LYS 35 2HD LYS 35 -22.101 -1.182 -11.347 249 1HE LYS 35 1HE LYS 35 -24.138 -0.063 -10.506 250 2HE LYS 35 2HE LYS 35 -23.997 1.164 -11.782 251 1HZ LYS 35 1HZ LYS 35 -24.368 -1.713 -12.211 252 2HZ LYS 35 2HZ LYS 35 -25.528 -0.551 -12.368 253 3HZ LYS 35 3HZ LYS 35 -24.237 -0.571 -13.393 254 H GLY 36 H GLY 36 -17.595 0.510 -9.126 255 1HA GLY 36 1HA GLY 36 -15.219 -0.225 -9.168 256 2HA GLY 36 2HA GLY 36 -15.332 -0.274 -10.928 257 H ASN 37 H ASN 37 -17.246 2.294 -9.716 258 HA ASN 37 HA ASN 37 -15.529 4.261 -10.933 259 1HB ASN 37 1HB ASN 37 -18.058 4.569 -9.269 260 2HB ASN 37 2HB ASN 37 -17.328 5.811 -10.297 261 1HD2 ASN 37 1HD2 ASN 37 -20.192 3.884 -12.004 262 2HD2 ASN 37 2HD2 ASN 37 -20.041 4.552 -10.394 263 H GLU 38 H GLU 38 -13.917 5.368 -9.962 264 HA GLU 38 HA GLU 38 -13.144 4.718 -7.322 265 1HB GLU 38 1HB GLU 38 -11.593 5.201 -9.171 266 2HB GLU 38 2HB GLU 38 -12.054 6.914 -9.114 267 1HG GLU 38 1HG GLU 38 -11.255 7.041 -6.760 268 2HG GLU 38 2HG GLU 38 -10.877 5.309 -6.797 269 H LEU 39 H LEU 39 -14.244 5.337 -5.604 270 HA LEU 39 HA LEU 39 -15.460 7.943 -5.206 271 1HB LEU 39 1HB LEU 39 -14.703 5.677 -3.317 272 2HB LEU 39 2HB LEU 39 -15.642 7.098 -2.846 273 HG LEU 39 HG LEU 39 -16.521 5.112 -5.000 274 1HD1 LEU 39 1HD1 LEU 39 -17.301 5.305 -2.066 275 2HD1 LEU 39 2HD1 LEU 39 -18.060 4.243 -3.273 276 3HD1 LEU 39 3HD1 LEU 39 -16.357 4.016 -2.848 277 1HD2 LEU 39 1HD2 LEU 39 -17.941 7.410 -3.573 278 2HD2 LEU 39 2HD2 LEU 39 -17.610 7.273 -5.312 279 3HD2 LEU 39 3HD2 LEU 39 -18.772 6.186 -4.546 280 H LEU 40 H LEU 40 -12.410 6.307 -4.284 281 HA LEU 40 HA LEU 40 -11.097 8.884 -3.919 282 1HB LEU 40 1HB LEU 40 -10.335 8.371 -1.615 283 2HB LEU 40 2HB LEU 40 -12.053 8.682 -1.792 284 HG LEU 40 HG LEU 40 -12.320 6.056 -1.841 285 1HD1 LEU 40 1HD1 LEU 40 -9.631 6.424 -0.465 286 2HD1 LEU 40 2HD1 LEU 40 -10.621 4.960 -0.352 287 3HD1 LEU 40 3HD1 LEU 40 -9.925 5.442 -1.900 288 1HD2 LEU 40 1HD2 LEU 40 -11.680 7.688 0.638 289 2HD2 LEU 40 2HD2 LEU 40 -13.264 7.467 -0.130 290 3HD2 LEU 40 3HD2 LEU 40 -12.463 6.096 0.651 291 H SER 41 H SER 41 -8.863 8.798 -3.890 292 HA SER 41 HA SER 41 -7.813 6.665 -5.559 293 1HB SER 41 1HB SER 41 -6.606 9.243 -4.468 294 2HB SER 41 2HB SER 41 -5.844 8.219 -5.693 295 HG SER 41 HG SER 41 -7.704 8.551 -6.995 296 HA PRO 42 HA PRO 42 -5.470 4.756 -2.227 297 1HB PRO 42 1HB PRO 42 -3.610 3.317 -3.538 298 2HB PRO 42 2HB PRO 42 -5.339 3.045 -3.826 299 1HG PRO 42 1HG PRO 42 -3.500 4.794 -5.479 300 2HG PRO 42 2HG PRO 42 -4.538 3.460 -6.058 301 1HD PRO 42 1HD PRO 42 -5.363 6.060 -6.113 302 2HD PRO 42 2HD PRO 42 -6.500 4.733 -5.745 303 H HIS 43 H HIS 43 -4.917 7.432 -2.144 304 HA HIS 43 HA HIS 43 -2.051 7.577 -1.518 305 1HB HIS 43 1HB HIS 43 -3.323 9.216 -3.755 306 2HB HIS 43 2HB HIS 43 -1.785 9.612 -2.984 307 HD1 HIS 43 HD1 HIS 43 -3.060 7.717 -5.869 308 HD2 HIS 43 HD2 HIS 43 0.087 7.409 -3.104 309 HE1 HIS 43 HE1 HIS 43 -1.340 6.121 -6.889 310 H TYR 44 H TYR 44 -2.269 8.350 0.519 311 HA TYR 44 HA TYR 44 -2.360 11.095 0.465 312 1HB TYR 44 1HB TYR 44 -3.985 11.911 1.811 313 2HB TYR 44 2HB TYR 44 -4.893 10.726 0.906 314 HD1 TYR 44 HD1 TYR 44 -5.555 8.570 2.025 315 HD2 TYR 44 HD2 TYR 44 -3.672 11.762 4.197 316 HE1 TYR 44 HE1 TYR 44 -6.493 7.671 4.137 317 HE2 TYR 44 HE2 TYR 44 -4.568 10.849 6.320 318 HH TYR 44 HH TYR 44 -6.719 7.996 6.428 319 H VAL 45 H VAL 45 -2.606 8.423 2.894 320 HA VAL 45 HA VAL 45 -0.711 9.848 4.587 321 HB VAL 45 HB VAL 45 -2.670 8.760 5.521 322 1HG1 VAL 45 1HG1 VAL 45 -2.785 6.738 4.090 323 2HG1 VAL 45 2HG1 VAL 45 -1.326 6.107 4.890 324 3HG1 VAL 45 3HG1 VAL 45 -2.821 6.364 5.813 325 1HG2 VAL 45 1HG2 VAL 45 -0.631 9.173 6.891 326 2HG2 VAL 45 2HG2 VAL 45 -1.622 7.820 7.464 327 3HG2 VAL 45 3HG2 VAL 45 -0.122 7.496 6.581 328 H GLU 46 H GLU 46 1.261 9.135 5.264 329 HA GLU 46 HA GLU 46 2.700 7.129 3.600 330 1HB GLU 46 1HB GLU 46 4.553 8.559 3.393 331 2HB GLU 46 2HB GLU 46 3.150 9.530 2.956 332 1HG GLU 46 1HG GLU 46 4.712 9.620 5.579 333 2HG GLU 46 2HG GLU 46 4.712 10.825 4.298 334 H PHE 47 H PHE 47 4.918 6.676 4.717 335 HA PHE 47 HA PHE 47 4.856 6.631 7.620 336 1HB PHE 47 1HB PHE 47 3.259 4.835 7.050 337 2HB PHE 47 2HB PHE 47 4.456 4.083 6.010 338 HD1 PHE 47 HD1 PHE 47 3.496 4.803 9.521 339 HD2 PHE 47 HD2 PHE 47 6.292 2.744 6.964 340 HE1 PHE 47 HE1 PHE 47 4.234 3.408 11.435 341 HE2 PHE 47 HE2 PHE 47 6.967 1.306 8.855 342 HZ PHE 47 1HZ PHE 47 5.953 1.643 11.103 343 HA PRO 48 HA PRO 48 9.212 6.225 6.336 344 1HB PRO 48 1HB PRO 48 10.426 6.278 8.769 345 2HB PRO 48 2HB PRO 48 9.673 7.727 8.044 346 1HG PRO 48 1HG PRO 48 8.476 5.872 10.116 347 2HG PRO 48 2HG PRO 48 8.521 7.656 10.131 348 1HD PRO 48 1HD PRO 48 6.352 6.223 9.266 349 2HD PRO 48 2HD PRO 48 6.787 7.803 8.545 350 H ILE 49 H ILE 49 10.014 4.293 5.698 351 HA ILE 49 HA ILE 49 8.954 1.866 6.240 352 HB ILE 49 HB ILE 49 10.346 2.321 4.321 353 1HG1 ILE 49 1HG1 ILE 49 11.797 0.332 4.212 354 2HG1 ILE 49 2HG1 ILE 49 11.603 0.092 5.983 355 1HG2 ILE 49 1HG2 ILE 49 12.056 3.778 5.328 356 2HG2 ILE 49 2HG2 ILE 49 12.753 2.390 6.195 357 3HG2 ILE 49 3HG2 ILE 49 12.792 2.438 4.438 358 1HD1 ILE 49 1HD1 ILE 49 9.358 0.065 3.914 359 2HD1 ILE 49 2HD1 ILE 49 10.154 -1.383 4.563 360 3HD1 ILE 49 3HD1 ILE 49 9.201 -0.348 5.638 361 H LYS 50 H LYS 50 9.092 0.268 7.698 362 HA LYS 50 HA LYS 50 11.382 0.069 9.553 363 1HB LYS 50 1HB LYS 50 8.481 0.167 10.445 364 2HB LYS 50 2HB LYS 50 9.823 -0.466 11.413 365 1HG LYS 50 1HG LYS 50 10.982 1.745 11.215 366 2HG LYS 50 2HG LYS 50 9.547 2.382 10.389 367 1HD LYS 50 1HD LYS 50 8.163 1.824 12.374 368 2HD LYS 50 2HD LYS 50 9.616 1.224 13.203 369 1HE LYS 50 1HE LYS 50 10.652 3.481 12.989 370 2HE LYS 50 2HE LYS 50 9.177 4.073 12.196 371 1HZ LYS 50 1HZ LYS 50 7.976 3.546 14.187 372 2HZ LYS 50 2HZ LYS 50 9.349 2.999 14.920 373 3HZ LYS 50 3HZ LYS 50 9.211 4.590 14.512 374 HA PRO 51 HA PRO 51 10.251 -3.978 7.701 375 1HB PRO 51 1HB PRO 51 12.705 -5.085 7.507 376 2HB PRO 51 2HB PRO 51 12.264 -3.660 6.527 377 1HG PRO 51 1HG PRO 51 13.715 -3.655 9.196 378 2HG PRO 51 2HG PRO 51 14.284 -2.925 7.669 379 1HD PRO 51 1HD PRO 51 12.937 -1.495 9.549 380 2HD PRO 51 2HD PRO 51 12.673 -1.188 7.804 381 H GLY 52 H GLY 52 11.243 -6.346 8.484 382 1HA GLY 52 1HA GLY 52 11.787 -7.744 10.297 383 2HA GLY 52 2HA GLY 52 11.357 -6.489 11.458 384 H THR 53 H THR 53 8.814 -5.766 10.217 385 HA THR 53 HA THR 53 7.067 -7.620 11.446 386 HB THR 53 HB THR 53 6.575 -5.237 11.150 387 HG1 THR 53 HG1 THR 53 4.421 -5.553 10.499 388 1HG2 THR 53 1HG2 THR 53 7.482 -4.898 8.835 389 2HG2 THR 53 2HG2 THR 53 6.125 -5.849 8.189 390 H THR 54 H THR 54 5.618 -9.129 10.586 391 HA THR 54 HA THR 54 6.455 -10.557 8.204 392 HB THR 54 HB THR 54 4.005 -10.907 9.980 393 HG1 THR 54 HG1 THR 54 6.566 -12.122 10.024 394 1HG2 THR 54 1HG2 THR 54 5.359 -12.792 7.995 395 2HG2 THR 54 2HG2 THR 54 4.090 -13.260 9.145 396 H LEU 55 H LEU 55 5.222 -10.823 6.300 397 HA LEU 55 HA LEU 55 3.241 -8.676 5.691 398 1HB LEU 55 1HB LEU 55 5.681 -8.496 4.787 399 2HB LEU 55 2HB LEU 55 5.244 -9.824 3.730 400 HG LEU 55 HG LEU 55 5.010 -7.809 2.518 401 1HD1 LEU 55 1HD1 LEU 55 3.116 -9.421 2.194 402 2HD1 LEU 55 2HD1 LEU 55 2.147 -8.445 3.324 403 3HD1 LEU 55 3HD1 LEU 55 2.720 -7.739 1.807 404 1HD2 LEU 55 1HD2 LEU 55 4.950 -6.250 4.439 405 2HD2 LEU 55 2HD2 LEU 55 3.745 -5.863 3.201 406 3HD2 LEU 55 3HD2 LEU 55 3.238 -6.647 4.706 407 H THR 56 H THR 56 1.338 -9.693 5.588 408 HA THR 56 HA THR 56 0.912 -11.901 3.745 409 HB THR 56 HB THR 56 1.554 -13.197 5.668 410 HG1 THR 56 HG1 THR 56 -0.372 -14.292 6.049 411 1HG2 THR 56 1HG2 THR 56 0.455 -13.057 7.844 412 2HG2 THR 56 2HG2 THR 56 1.289 -11.541 7.477 413 H LYS 57 H LYS 57 -1.416 -12.383 3.525 414 HA LYS 57 HA LYS 57 -2.891 -10.156 2.893 415 1HB LYS 57 1HB LYS 57 -3.288 -12.558 2.195 416 2HB LYS 57 2HB LYS 57 -4.048 -12.827 3.766 417 1HG LYS 57 1HG LYS 57 -5.573 -10.746 3.063 418 2HG LYS 57 2HG LYS 57 -4.913 -11.062 1.460 419 1HD LYS 57 1HD LYS 57 -6.753 -12.418 1.309 420 2HD LYS 57 2HD LYS 57 -5.697 -13.592 2.098 421 1HE LYS 57 1HE LYS 57 -7.794 -11.773 3.375 422 2HE LYS 57 2HE LYS 57 -7.880 -13.532 3.197 423 1HZ LYS 57 1HZ LYS 57 -6.023 -13.703 4.694 424 2HZ LYS 57 2HZ LYS 57 -5.963 -12.064 4.867 425 3HZ LYS 57 3HZ LYS 57 -7.278 -12.900 5.400 426 H GLU 58 H GLU 58 -3.343 -12.163 5.866 427 HA GLU 58 HA GLU 58 -5.379 -10.546 6.932 428 1HB GLU 58 1HB GLU 58 -5.142 -11.826 8.968 429 2HB GLU 58 2HB GLU 58 -5.106 -12.823 7.525 430 1HG GLU 58 1HG GLU 58 -3.500 -13.787 8.889 431 2HG GLU 58 2HG GLU 58 -2.563 -12.890 7.699 432 H LYS 59 H LYS 59 -1.859 -10.165 7.205 433 HA LYS 59 HA LYS 59 -1.915 -8.112 9.219 434 1HB LYS 59 1HB LYS 59 0.095 -9.327 7.462 435 2HB LYS 59 2HB LYS 59 0.239 -7.576 7.463 436 1HG LYS 59 1HG LYS 59 1.646 -8.425 9.169 437 2HG LYS 59 2HG LYS 59 0.310 -7.566 9.944 438 1HD LYS 59 1HD LYS 59 -0.791 -9.727 10.450 439 2HD LYS 59 2HD LYS 59 0.476 -10.590 9.550 440 1HE LYS 59 1HE LYS 59 2.174 -9.797 11.152 441 2HE LYS 59 2HE LYS 59 0.926 -8.932 12.062 442 1HZ LYS 59 1HZ LYS 59 -0.143 -11.026 12.464 443 2HZ LYS 59 2HZ LYS 59 1.025 -11.830 11.621 444 3HZ LYS 59 3HZ LYS 59 1.409 -11.048 13.022 445 H ILE 60 H ILE 60 -1.728 -7.968 5.637 446 HA ILE 60 HA ILE 60 -1.828 -5.204 5.351 447 HB ILE 60 HB ILE 60 -2.779 -7.414 3.503 448 1HG1 ILE 60 1HG1 ILE 60 -0.388 -7.556 3.953 449 2HG1 ILE 60 2HG1 ILE 60 -0.698 -7.004 2.291 450 1HG2 ILE 60 1HG2 ILE 60 -2.461 -4.455 2.903 451 2HG2 ILE 60 2HG2 ILE 60 -2.544 -5.723 1.666 452 3HG2 ILE 60 3HG2 ILE 60 -3.918 -5.451 2.737 453 1HD1 ILE 60 1HD1 ILE 60 -0.215 -4.643 3.096 454 2HD1 ILE 60 2HD1 ILE 60 0.275 -5.338 4.659 455 3HD1 ILE 60 3HD1 ILE 60 1.149 -5.768 3.188 456 H GLU 61 H GLU 61 -4.626 -7.461 5.562 457 HA GLU 61 HA GLU 61 -6.649 -5.710 4.843 458 1HB GLU 61 1HB GLU 61 -6.610 -7.998 6.838 459 2HB GLU 61 2HB GLU 61 -8.083 -7.090 6.455 460 1HG GLU 61 1HG GLU 61 -7.813 -7.605 4.052 461 2HG GLU 61 2HG GLU 61 -6.400 -8.593 4.413 462 H TYR 62 H TYR 62 -5.705 -6.319 8.313 463 HA TYR 62 HA TYR 62 -7.279 -4.099 9.190 464 1HB TYR 62 1HB TYR 62 -6.383 -4.467 11.352 465 2HB TYR 62 2HB TYR 62 -6.834 -5.989 10.612 466 HD1 TYR 62 HD1 TYR 62 -3.870 -3.774 11.344 467 HD2 TYR 62 HD2 TYR 62 -5.326 -7.791 10.766 468 HE1 TYR 62 HE1 TYR 62 -1.683 -4.666 12.054 469 HE2 TYR 62 HE2 TYR 62 -3.159 -8.682 11.559 470 HH TYR 62 HH TYR 62 -0.447 -6.544 12.524 471 H TYR 63 H TYR 63 -3.877 -4.376 8.200 472 HA TYR 63 HA TYR 63 -2.905 -2.056 9.443 473 1HB TYR 63 1HB TYR 63 -1.481 -3.820 8.566 474 2HB TYR 63 2HB TYR 63 -2.011 -3.476 6.918 475 HD1 TYR 63 HD1 TYR 63 -0.567 -1.580 9.854 476 HD2 TYR 63 HD2 TYR 63 -0.425 -2.338 5.609 477 HE1 TYR 63 HE1 TYR 63 1.418 -0.115 9.656 478 HE2 TYR 63 HE2 TYR 63 1.588 -0.912 5.427 479 HH TYR 63 HH TYR 63 3.044 0.730 8.266 480 H VAL 64 H VAL 64 -4.156 -2.466 6.065 481 HA VAL 64 HA VAL 64 -3.790 0.299 5.442 482 HB VAL 64 HB VAL 64 -5.002 -0.071 3.437 483 1HG1 VAL 64 1HG1 VAL 64 -2.685 -0.790 3.498 484 2HG1 VAL 64 2HG1 VAL 64 -3.163 -2.413 4.025 485 3HG1 VAL 64 3HG1 VAL 64 -3.634 -1.823 2.420 486 1HG2 VAL 64 1HG2 VAL 64 -5.821 -2.783 4.534 487 2HG2 VAL 64 2HG2 VAL 64 -6.882 -1.433 4.106 488 3HG2 VAL 64 3HG2 VAL 64 -5.983 -2.281 2.845 489 H GLU 65 H GLU 65 -6.537 -1.531 6.778 490 HA GLU 65 HA GLU 65 -8.502 0.503 6.576 491 1HB GLU 65 1HB GLU 65 -8.163 -1.844 8.463 492 2HB GLU 65 2HB GLU 65 -9.550 -0.744 8.525 493 1HG GLU 65 1HG GLU 65 -10.119 -1.226 6.196 494 2HG GLU 65 2HG GLU 65 -8.732 -2.302 6.037 495 H TRP 66 H TRP 66 -6.147 -0.243 9.205 496 HA TRP 66 HA TRP 66 -7.041 1.773 11.023 497 1HB TRP 66 1HB TRP 66 -4.307 0.518 10.663 498 2HB TRP 66 2HB TRP 66 -4.821 1.485 12.042 499 HD1 TRP 66 HD1 TRP 66 -3.679 -1.079 12.789 500 HE1 TRP 66 HE1 TRP 66 -4.958 -3.015 13.816 501 HE3 TRP 66 HE3 TRP 66 -8.434 0.046 11.098 502 HZ2 TRP 66 HZ2 TRP 66 -7.673 -3.975 13.917 503 HZ3 TRP 66 HZ3 TRP 66 -10.297 -1.431 11.649 504 HH2 TRP 66 HH2 TRP 66 -9.951 -3.443 13.063 505 H ALA 67 H ALA 67 -4.606 1.825 8.402 506 HA ALA 67 HA ALA 67 -3.513 4.365 8.955 507 1HB ALA 67 1HB ALA 67 -2.491 2.659 7.505 508 2HB ALA 67 2HB ALA 67 -3.760 2.920 6.288 509 3HB ALA 67 3HB ALA 67 -2.622 4.222 6.683 510 H LEU 68 H LEU 68 -6.235 3.414 6.798 511 HA LEU 68 HA LEU 68 -6.655 6.112 5.904 512 1HB LEU 68 1HB LEU 68 -8.521 5.252 4.640 513 2HB LEU 68 2HB LEU 68 -7.028 4.347 4.417 514 HG LEU 68 HG LEU 68 -7.997 2.679 6.129 515 1HD1 LEU 68 1HD1 LEU 68 -9.956 4.018 6.916 516 2HD1 LEU 68 2HD1 LEU 68 -10.628 3.932 5.274 517 3HD1 LEU 68 3HD1 LEU 68 -10.391 2.462 6.243 518 1HD2 LEU 68 1HD2 LEU 68 -7.709 2.232 3.723 519 2HD2 LEU 68 2HD2 LEU 68 -9.183 1.475 4.347 520 3HD2 LEU 68 3HD2 LEU 68 -9.294 2.983 3.410 521 H ASP 69 H ASP 69 -7.644 4.589 8.832 522 HA ASP 69 HA ASP 69 -10.226 5.857 9.048 523 1HB ASP 69 1HB ASP 69 -8.399 4.550 11.099 524 2HB ASP 69 2HB ASP 69 -10.001 5.179 11.487 525 H ALA 70 H ALA 70 -7.313 7.448 8.941 526 HA ALA 70 HA ALA 70 -8.062 9.496 10.937 527 1HB ALA 70 1HB ALA 70 -5.706 8.885 10.652 528 2HB ALA 70 2HB ALA 70 -5.764 9.406 8.960 529 3HB ALA 70 3HB ALA 70 -6.006 10.587 10.261 530 H THR 71 H THR 71 -9.604 8.690 8.263 531 HA THR 71 HA THR 71 -10.633 11.326 7.870 532 HB THR 71 1HB THR 71 -8.672 11.504 6.378 533 HG1 THR 71 HG1 THR 71 -10.623 12.548 5.881 534 1HG2 THR 71 1HG2 THR 71 -8.550 9.047 5.717 535 2HG2 THR 71 2HG2 THR 71 -9.926 9.351 4.642 536 H ALA 72 H ALA 72 -10.423 7.991 6.605 537 HA ALA 72 HA ALA 72 -13.328 7.980 5.946 538 1HB ALA 72 1HB ALA 72 -11.015 6.249 5.004 539 2HB ALA 72 2HB ALA 72 -12.717 6.067 4.514 540 3HB ALA 72 3HB ALA 72 -11.817 7.536 4.086 541 H TYR 73 H TYR 73 -13.828 7.797 8.195 542 HA TYR 73 HA TYR 73 -13.757 4.990 9.197 543 1HB TYR 73 1HB TYR 73 -13.492 5.830 11.461 544 2HB TYR 73 2HB TYR 73 -12.110 6.245 10.463 545 HD1 TYR 73 HD1 TYR 73 -11.836 8.625 9.611 546 HD2 TYR 73 HD2 TYR 73 -14.823 7.547 12.526 547 HE1 TYR 73 HE1 TYR 73 -12.210 11.020 10.111 548 HE2 TYR 73 HE2 TYR 73 -15.192 9.942 13.029 549 HH TYR 73 HH TYR 73 -13.411 12.554 11.340 550 H LYS 74 H LYS 74 -15.271 8.219 9.266 551 HA LYS 74 HA LYS 74 -17.686 7.571 10.562 552 1HB LYS 74 1HB LYS 74 -16.913 9.827 10.336 553 2HB LYS 74 2HB LYS 74 -16.885 9.724 8.571 554 1HG LYS 74 1HG LYS 74 -19.320 9.574 8.484 555 2HG LYS 74 2HG LYS 74 -19.419 9.524 10.256 556 1HD LYS 74 1HD LYS 74 -18.501 11.767 10.433 557 2HD LYS 74 2HD LYS 74 -18.183 11.843 8.694 558 1HE LYS 74 1HE LYS 74 -20.961 11.568 9.923 559 2HE LYS 74 2HE LYS 74 -20.224 13.097 9.407 560 1HZ LYS 74 1HZ LYS 74 -20.074 12.221 7.196 561 2HZ LYS 74 2HZ LYS 74 -20.792 10.812 7.661 562 3HZ LYS 74 3HZ LYS 74 -21.635 12.225 7.725 563 H GLU 75 H GLU 75 -17.024 7.941 7.038 564 HA GLU 75 HA GLU 75 -19.430 6.285 6.395 565 1HB GLU 75 1HB GLU 75 -19.410 8.628 5.628 566 2HB GLU 75 2HB GLU 75 -17.924 8.317 4.714 567 1HG GLU 75 1HG GLU 75 -19.174 6.602 3.372 568 2HG GLU 75 2HG GLU 75 -20.624 6.942 4.329 569 H PHE 76 H PHE 76 -17.977 4.435 7.062 570 HA PHE 76 HA PHE 76 -16.622 3.333 4.721 571 1HB PHE 76 1HB PHE 76 -14.919 4.828 5.838 572 2HB PHE 76 2HB PHE 76 -15.021 3.817 7.268 573 HD1 PHE 76 HD1 PHE 76 -14.138 3.904 3.640 574 HD2 PHE 76 HD2 PHE 76 -13.765 1.725 7.344 575 HE1 PHE 76 HE1 PHE 76 -12.437 2.423 2.604 576 HE2 PHE 76 HE2 PHE 76 -12.142 0.194 6.275 577 HZ PHE 76 1HZ PHE 76 -11.465 0.544 3.908 578 H ARG 77 H ARG 77 -18.520 2.003 5.060 579 HA ARG 77 HA ARG 77 -18.522 0.099 7.306 580 1HB ARG 77 1HB ARG 77 -20.674 0.710 6.768 581 2HB ARG 77 2HB ARG 77 -20.352 0.812 5.044 582 1HG ARG 77 1HG ARG 77 -21.824 -0.989 5.415 583 2HG ARG 77 2HG ARG 77 -20.284 -1.646 4.872 584 1HD ARG 77 1HD ARG 77 -19.764 -2.180 7.300 585 2HD ARG 77 2HD ARG 77 -21.397 -1.647 7.698 586 HE ARG 77 HE ARG 77 -22.317 -3.359 6.250 587 1HH1 ARG 77 1HH1 ARG 77 -18.910 -3.936 7.196 588 2HH1 ARG 77 2HH1 ARG 77 -18.954 -5.585 6.627 589 1HH2 ARG 77 1HH2 ARG 77 -22.280 -5.475 5.500 590 2HH2 ARG 77 2HH2 ARG 77 -20.845 -6.456 5.680 591 H VAL 78 H VAL 78 -18.168 -0.007 3.724 592 HA VAL 78 HA VAL 78 -17.048 -1.341 2.328 593 HB VAL 78 HB VAL 78 -15.598 -2.594 4.685 594 1HG1 VAL 78 1HG1 VAL 78 -14.941 -2.460 1.719 595 2HG1 VAL 78 2HG1 VAL 78 -13.913 -3.146 2.990 596 3HG1 VAL 78 3HG1 VAL 78 -15.457 -3.913 2.605 597 1HG2 VAL 78 1HG2 VAL 78 -14.861 -0.207 2.930 598 2HG2 VAL 78 2HG2 VAL 78 -15.220 -0.150 4.671 599 3HG2 VAL 78 3HG2 VAL 78 -13.793 -1.023 4.091 600 H VAL 79 H VAL 79 -18.289 -2.734 1.254 601 HA VAL 79 HA VAL 79 -19.711 -4.884 2.637 602 HB VAL 79 HB VAL 79 -20.825 -3.602 0.910 603 1HG1 VAL 79 1HG1 VAL 79 -18.935 -3.200 -0.665 604 2HG1 VAL 79 2HG1 VAL 79 -19.007 -4.911 -1.153 605 3HG1 VAL 79 3HG1 VAL 79 -20.384 -3.842 -1.445 606 1HG2 VAL 79 1HG2 VAL 79 -21.547 -5.883 1.447 607 2HG2 VAL 79 2HG2 VAL 79 -21.865 -5.461 -0.244 608 3HG2 VAL 79 3HG2 VAL 79 -20.509 -6.524 0.160 609 H GLU 80 H GLU 80 -17.106 -4.614 0.160 610 HA GLU 80 HA GLU 80 -16.004 -7.235 1.001 611 1HB GLU 80 1HB GLU 80 -16.877 -6.505 -1.832 612 2HB GLU 80 2HB GLU 80 -15.770 -7.833 -1.459 613 1HG GLU 80 1HG GLU 80 -17.496 -8.901 -0.040 614 2HG GLU 80 2HG GLU 80 -18.642 -7.635 -0.508 615 H LEU 81 H LEU 81 -13.941 -7.651 -0.224 616 HA LEU 81 HA LEU 81 -12.544 -5.459 -1.415 617 1HB LEU 81 1HB LEU 81 -10.720 -5.240 0.073 618 2HB LEU 81 2HB LEU 81 -12.185 -4.886 0.987 619 HG LEU 81 HG LEU 81 -10.547 -7.473 1.102 620 1HD1 LEU 81 1HD1 LEU 81 -9.395 -5.531 2.065 621 2HD1 LEU 81 2HD1 LEU 81 -10.820 -5.154 3.057 622 3HD1 LEU 81 3HD1 LEU 81 -9.907 -6.650 3.338 623 1HD2 LEU 81 1HD2 LEU 81 -13.001 -6.597 2.693 624 2HD2 LEU 81 2HD2 LEU 81 -12.837 -8.054 1.680 625 3HD2 LEU 81 3HD2 LEU 81 -11.918 -7.918 3.175 626 H ASP 82 H ASP 82 -10.336 -6.130 -2.136 627 HA ASP 82 HA ASP 82 -10.570 -8.688 -3.400 628 1HB ASP 82 1HB ASP 82 -8.388 -6.581 -3.371 629 2HB ASP 82 2HB ASP 82 -8.262 -8.099 -4.270 630 HA PRO 83 HA PRO 83 -8.253 -10.806 -0.072 631 1HB PRO 83 1HB PRO 83 -8.341 -13.346 -1.019 632 2HB PRO 83 2HB PRO 83 -9.783 -12.532 -0.349 633 1HG PRO 83 1HG PRO 83 -9.019 -12.813 -3.264 634 2HG PRO 83 2HG PRO 83 -10.598 -13.156 -2.507 635 1HD PRO 83 1HD PRO 83 -10.025 -10.793 -3.757 636 2HD PRO 83 2HD PRO 83 -11.113 -10.862 -2.335 637 H SER 84 H SER 84 -7.651 -11.013 -3.588 638 HA SER 84 HA SER 84 -4.832 -11.752 -3.304 639 1HB SER 84 1HB SER 84 -6.509 -10.898 -5.699 640 2HB SER 84 2HB SER 84 -4.831 -11.483 -5.760 641 HG SER 84 HG SER 84 -5.577 -13.423 -4.799 642 H ALA 85 H ALA 85 -4.474 -9.932 -1.759 643 HA ALA 85 HA ALA 85 -4.407 -7.205 -2.619 644 1HB ALA 85 1HB ALA 85 -4.397 -7.869 -0.251 645 2HB ALA 85 2HB ALA 85 -2.831 -8.677 -0.464 646 3HB ALA 85 3HB ALA 85 -2.947 -6.917 -0.629 647 H LYS 86 H LYS 86 -2.362 -5.950 -2.867 648 HA LYS 86 HA LYS 86 -0.125 -7.371 -4.112 649 1HB LYS 86 1HB LYS 86 -0.344 -6.184 -6.252 650 2HB LYS 86 2HB LYS 86 -1.639 -7.324 -5.925 651 1HG LYS 86 1HG LYS 86 -2.993 -5.683 -6.628 652 2HG LYS 86 2HG LYS 86 -2.871 -5.108 -4.977 653 1HD LYS 86 1HD LYS 86 -2.572 -3.241 -6.387 654 2HD LYS 86 2HD LYS 86 -0.953 -3.590 -5.758 655 1HE LYS 86 1HE LYS 86 -0.291 -4.589 -7.874 656 2HE LYS 86 2HE LYS 86 -1.969 -4.615 -8.451 657 1HZ LYS 86 1HZ LYS 86 -0.433 -2.194 -7.883 658 2HZ LYS 86 2HZ LYS 86 -0.706 -2.827 -9.382 659 3HZ LYS 86 3HZ LYS 86 -1.965 -2.262 -8.481 660 H ILE 87 H ILE 87 1.725 -6.273 -4.239 661 HA ILE 87 HA ILE 87 1.892 -3.613 -2.897 662 HB ILE 87 HB ILE 87 3.635 -6.089 -2.473 663 1HG1 ILE 87 1HG1 ILE 87 2.877 -5.441 -0.006 664 2HG1 ILE 87 2HG1 ILE 87 1.468 -4.737 -0.866 665 1HG2 ILE 87 1HG2 ILE 87 3.881 -3.243 -1.412 666 2HG2 ILE 87 2HG2 ILE 87 4.820 -4.632 -0.823 667 3HG2 ILE 87 3HG2 ILE 87 5.024 -4.079 -2.479 668 1HD1 ILE 87 1HD1 ILE 87 2.447 -7.637 -0.993 669 2HD1 ILE 87 2HD1 ILE 87 1.096 -7.031 -0.015 670 3HD1 ILE 87 3HD1 ILE 87 0.979 -7.008 -1.773 671 H GLU 88 H GLU 88 2.593 -2.229 -4.399 672 HA GLU 88 HA GLU 88 4.509 -3.081 -6.515 673 1HB GLU 88 1HB GLU 88 2.907 -0.529 -6.113 674 2HB GLU 88 2HB GLU 88 4.075 -0.827 -7.418 675 1HG GLU 88 1HG GLU 88 2.722 -2.801 -8.139 676 2HG GLU 88 2HG GLU 88 1.511 -2.387 -6.915 677 H VAL 89 H VAL 89 6.126 -3.450 -4.705 678 HA VAL 89 HA VAL 89 7.313 -1.077 -3.552 679 HB VAL 89 HB VAL 89 7.637 -3.176 -2.460 680 1HG1 VAL 89 1HG1 VAL 89 7.779 -4.694 -4.474 681 2HG1 VAL 89 2HG1 VAL 89 9.439 -4.094 -4.725 682 3HG1 VAL 89 3HG1 VAL 89 9.022 -4.957 -3.244 683 1HG2 VAL 89 1HG2 VAL 89 9.307 -1.380 -2.199 684 2HG2 VAL 89 2HG2 VAL 89 10.059 -2.981 -2.073 685 3HG2 VAL 89 3HG2 VAL 89 10.244 -2.033 -3.558 686 H THR 90 H THR 90 8.038 0.480 -4.793 687 HA THR 90 HA THR 90 8.677 0.003 -7.597 688 HB THR 90 1HB THR 90 8.477 2.583 -5.993 689 HG1 THR 90 HG1 THR 90 6.558 1.375 -6.008 690 1HG2 THR 90 1HG2 THR 90 8.393 2.020 -8.999 691 2HG2 THR 90 2HG2 THR 90 8.008 3.575 -8.237 692 H TYR 91 H TYR 91 10.558 -1.326 -6.788 693 HA TYR 91 HA TYR 91 12.675 -0.263 -5.400 694 1HB TYR 91 1HB TYR 91 13.880 -2.192 -5.843 695 2HB TYR 91 2HB TYR 91 12.200 -2.608 -5.587 696 HD1 TYR 91 HD1 TYR 91 10.841 -2.647 -8.123 697 HD2 TYR 91 HD2 TYR 91 14.892 -3.769 -7.146 698 HE1 TYR 91 HE1 TYR 91 10.848 -4.268 -9.976 699 HE2 TYR 91 HE2 TYR 91 14.833 -5.476 -8.930 700 HH TYR 91 HH TYR 91 11.995 -5.915 -11.071 701 H TYR 92 H TYR 92 13.644 1.524 -5.876 702 HA TYR 92 HA TYR 92 14.615 2.142 -8.615 703 1HB TYR 92 1HB TYR 92 12.585 3.357 -8.248 704 2HB TYR 92 2HB TYR 92 13.021 3.720 -6.587 705 HD1 TYR 92 HD1 TYR 92 14.955 4.210 -9.798 706 HD2 TYR 92 HD2 TYR 92 13.124 6.045 -6.354 707 HE1 TYR 92 HE1 TYR 92 16.002 6.358 -10.393 708 HE2 TYR 92 HE2 TYR 92 14.180 8.204 -6.956 709 HH TYR 92 HH TYR 92 16.261 8.587 -9.839 710 H ASP 93 H ASP 93 16.637 2.920 -8.746 711 HA ASP 93 HA ASP 93 17.861 4.445 -6.637 712 1HB ASP 93 1HB ASP 93 18.263 2.142 -5.814 713 2HB ASP 93 2HB ASP 93 19.084 1.731 -7.323 714 H LYS 94 H LYS 94 18.892 6.019 -7.704 715 HA LYS 94 HA LYS 94 19.314 5.738 -10.581 716 1HB LYS 94 1HB LYS 94 18.094 7.636 -9.394 717 2HB LYS 94 2HB LYS 94 19.660 8.195 -8.833 718 1HG LYS 94 1HG LYS 94 19.096 9.472 -10.733 719 2HG LYS 94 2HG LYS 94 20.374 8.377 -11.274 720 1HD LYS 94 1HD LYS 94 18.723 6.924 -12.363 721 2HD LYS 94 2HD LYS 94 17.386 7.869 -11.683 722 1HE LYS 94 1HE LYS 94 19.469 8.975 -13.610 723 2HE LYS 94 2HE LYS 94 17.882 8.345 -14.087 724 1HZ LYS 94 1HZ LYS 94 16.862 10.006 -12.719 725 2HZ LYS 94 2HZ LYS 94 18.332 10.623 -12.298 726 3HZ LYS 94 3HZ LYS 94 17.827 10.695 -13.864 727 H ASN 95 H ASN 95 21.089 4.131 -9.948 728 HA ASN 95 HA ASN 95 23.699 5.496 -10.231 729 1HB ASN 95 1HB ASN 95 23.117 3.325 -8.172 730 2HB ASN 95 2HB ASN 95 24.727 3.854 -8.662 731 1HD2 ASN 95 1HD2 ASN 95 22.499 6.158 -6.077 732 2HD2 ASN 95 2HD2 ASN 95 21.779 4.803 -6.920 733 H LYS 96 H LYS 96 21.889 2.410 -10.137 734 HA LYS 96 HA LYS 96 23.029 1.674 -12.752 735 1HB LYS 96 1HB LYS 96 23.816 -0.404 -12.150 736 2HB LYS 96 2HB LYS 96 24.482 0.663 -10.926 737 1HG LYS 96 1HG LYS 96 22.078 -1.213 -10.610 738 2HG LYS 96 2HG LYS 96 23.713 -1.542 -10.078 739 1HD LYS 96 1HD LYS 96 21.992 0.709 -8.940 740 2HD LYS 96 2HD LYS 96 22.188 -0.901 -8.252 741 1HE LYS 96 1HE LYS 96 24.651 -0.523 -8.081 742 2HE LYS 96 2HE LYS 96 24.405 1.146 -8.633 743 1HZ LYS 96 1HZ LYS 96 23.227 -0.066 -6.235 744 2HZ LYS 96 2HZ LYS 96 24.491 0.993 -6.265 745 3HZ LYS 96 3HZ LYS 96 22.990 1.485 -6.741 746 H LYS 97 H LYS 97 20.521 1.349 -10.293 747 HA LYS 97 HA LYS 97 19.351 -0.917 -11.517 748 1HB LYS 97 1HB LYS 97 19.440 -0.305 -9.042 749 2HB LYS 97 2HB LYS 97 18.155 0.865 -9.364 750 1HG LYS 97 1HG LYS 97 17.219 -1.158 -8.457 751 2HG LYS 97 2HG LYS 97 16.678 -1.000 -10.133 752 1HD LYS 97 1HD LYS 97 18.296 -2.690 -10.866 753 2HD LYS 97 2HD LYS 97 19.067 -2.699 -9.264 754 1HE LYS 97 1HE LYS 97 16.996 -3.597 -8.280 755 2HE LYS 97 2HE LYS 97 16.206 -3.527 -9.875 756 1HZ LYS 97 1HZ LYS 97 17.824 -5.085 -10.668 757 2HZ LYS 97 2HZ LYS 97 18.555 -5.146 -9.192 758 3HZ LYS 97 3HZ LYS 97 17.017 -5.708 -9.372 759 H LYS 98 H LYS 98 18.409 2.519 -11.418 760 HA LYS 98 HA LYS 98 16.883 3.751 -12.502 761 1HB LYS 98 1HB LYS 98 16.105 1.386 -14.241 762 2HB LYS 98 2HB LYS 98 15.796 3.085 -14.530 763 1HG LYS 98 1HG LYS 98 18.136 3.574 -14.827 764 2HG LYS 98 2HG LYS 98 18.618 1.908 -14.481 765 1HD LYS 98 1HD LYS 98 16.649 2.452 -16.722 766 2HD LYS 98 2HD LYS 98 18.371 2.763 -16.950 767 1HE LYS 98 1HE LYS 98 17.848 0.566 -17.785 768 2HE LYS 98 2HE LYS 98 18.936 0.441 -16.395 769 1HZ LYS 98 1HZ LYS 98 16.027 0.037 -16.308 770 2HZ LYS 98 2HZ LYS 98 17.149 -1.168 -16.364 771 3HZ LYS 98 3HZ LYS 98 17.081 -0.173 -15.057 772 H GLU 99 H GLU 99 14.340 3.763 -12.934 773 HA GLU 99 HA GLU 99 13.135 2.727 -10.498 774 1HB GLU 99 1HB GLU 99 12.585 4.955 -11.343 775 2HB GLU 99 2HB GLU 99 11.864 4.233 -12.802 776 1HG GLU 99 1HG GLU 99 10.174 3.080 -11.445 777 2HG GLU 99 2HG GLU 99 10.989 3.585 -9.960 778 H GLU 100 H GLU 100 13.167 0.523 -10.609 779 HA GLU 100 HA GLU 100 11.533 -0.848 -12.687 780 1HB GLU 100 1HB GLU 100 13.198 -2.024 -10.433 781 2HB GLU 100 2HB GLU 100 12.450 -2.886 -11.792 782 1HG GLU 100 1HG GLU 100 14.778 -0.921 -11.886 783 2HG GLU 100 2HG GLU 100 14.834 -2.660 -12.160 784 H THR 101 H THR 101 9.836 -2.310 -11.882 785 HA THR 101 HA THR 101 8.664 -1.529 -9.253 786 HB THR 101 1HB THR 101 7.184 -1.516 -11.912 787 HG1 THR 101 HG1 THR 101 8.507 0.301 -11.596 788 1HG2 THR 101 1HG2 THR 101 5.319 -0.607 -10.539 789 2HG2 THR 101 2HG2 THR 101 5.737 -2.251 -10.034 790 H LYS 102 H LYS 102 8.631 -3.346 -8.150 791 HA LYS 102 HA LYS 102 8.052 -5.933 -9.459 792 1HB LYS 102 1HB LYS 102 10.023 -5.704 -7.952 793 2HB LYS 102 2HB LYS 102 8.958 -5.233 -6.644 794 1HG LYS 102 1HG LYS 102 9.589 -7.562 -6.421 795 2HG LYS 102 2HG LYS 102 7.856 -7.435 -6.699 796 1HD LYS 102 1HD LYS 102 8.922 -9.303 -7.934 797 2HD LYS 102 2HD LYS 102 8.080 -8.177 -8.994 798 1HE LYS 102 1HE LYS 102 10.253 -8.925 -9.920 799 2HE LYS 102 2HE LYS 102 10.211 -7.175 -9.700 800 1HZ LYS 102 1HZ LYS 102 11.465 -9.106 -7.876 801 2HZ LYS 102 2HZ LYS 102 12.254 -8.130 -8.946 802 3HZ LYS 102 3HZ LYS 102 11.444 -7.469 -7.673 803 H SER 103 H SER 103 5.864 -6.011 -9.788 804 HA SER 103 HA SER 103 3.948 -5.133 -7.731 805 1HB SER 103 1HB SER 103 2.278 -5.694 -9.455 806 2HB SER 103 2HB SER 103 3.507 -4.555 -10.031 807 HG SER 103 HG SER 103 3.486 -7.349 -10.513 808 H PHE 104 H PHE 104 5.127 -6.823 -6.304 809 HA PHE 104 HA PHE 104 4.618 -9.592 -6.628 810 1HB PHE 104 1HB PHE 104 6.351 -8.685 -5.168 811 2HB PHE 104 2HB PHE 104 5.145 -7.890 -4.164 812 HD1 PHE 104 HD1 PHE 104 6.667 -11.142 -5.087 813 HD2 PHE 104 HD2 PHE 104 3.816 -9.155 -2.536 814 HE1 PHE 104 HE1 PHE 104 6.462 -13.195 -3.709 815 HE2 PHE 104 HE2 PHE 104 3.585 -11.223 -1.191 816 HZ PHE 104 1HZ PHE 104 4.918 -13.239 -1.761 817 HA PRO 105 HA PRO 105 0.259 -9.376 -5.436 818 1HB PRO 105 1HB PRO 105 -0.445 -11.985 -5.445 819 2HB PRO 105 2HB PRO 105 0.111 -11.155 -6.912 820 1HG PRO 105 1HG PRO 105 1.836 -12.833 -5.062 821 2HG PRO 105 2HG PRO 105 1.624 -13.018 -6.827 822 1HD PRO 105 1HD PRO 105 3.686 -11.591 -5.764 823 2HD PRO 105 2HD PRO 105 2.879 -11.067 -7.272 824 H ILE 106 H ILE 106 0.245 -12.299 -3.651 825 HA ILE 106 HA ILE 106 1.297 -11.304 -1.185 826 HB ILE 106 HB ILE 106 -0.880 -10.039 -1.369 827 1HG1 ILE 106 1HG1 ILE 106 -1.732 -10.472 0.838 828 2HG1 ILE 106 2HG1 ILE 106 -0.820 -12.018 0.937 829 1HG2 ILE 106 1HG2 ILE 106 -2.203 -11.762 -2.559 830 2HG2 ILE 106 2HG2 ILE 106 -2.193 -12.775 -1.096 831 3HG2 ILE 106 3HG2 ILE 106 -2.997 -11.205 -1.076 832 1HD1 ILE 106 1HD1 ILE 106 0.487 -9.286 0.510 833 2HD1 ILE 106 2HD1 ILE 106 0.202 -9.974 2.113 834 3HD1 ILE 106 3HD1 ILE 106 1.281 -10.805 0.989 835 H THR 107 H THR 107 1.265 -12.910 0.485 836 HA THR 107 HA THR 107 0.272 -15.613 -0.263 837 HB THR 107 1HB THR 107 2.296 -16.590 0.772 838 HG1 THR 107 HG1 THR 107 2.947 -14.749 1.951 839 1HG2 THR 107 1HG2 THR 107 2.132 -16.372 -1.694 840 2HG2 THR 107 2HG2 THR 107 2.924 -14.783 -1.606 841 H GLU 108 H GLU 108 -0.974 -16.440 1.263 842 HA GLU 108 HA GLU 108 -1.596 -15.077 3.674 843 1HB GLU 108 1HB GLU 108 -3.127 -16.552 2.373 844 2HB GLU 108 2HB GLU 108 -2.161 -17.953 2.855 845 1HG GLU 108 1HG GLU 108 -4.159 -17.771 4.229 846 2HG GLU 108 2HG GLU 108 -2.741 -17.525 5.242 847 H LYS 109 H LYS 109 0.822 -17.485 2.851 848 HA LYS 109 HA LYS 109 1.310 -18.760 5.266 849 1HB LYS 109 1HB LYS 109 2.227 -19.400 3.087 850 2HB LYS 109 2HB LYS 109 3.256 -17.961 3.059 851 1HG LYS 109 1HG LYS 109 4.451 -18.782 5.085 852 2HG LYS 109 2HG LYS 109 3.385 -20.203 5.130 853 1HD LYS 109 1HD LYS 109 4.204 -20.873 2.880 854 2HD LYS 109 2HD LYS 109 5.263 -19.447 2.843 855 1HE LYS 109 1HE LYS 109 6.455 -20.283 4.854 856 2HE LYS 109 2HE LYS 109 5.397 -21.709 4.888 857 1HZ LYS 109 1HZ LYS 109 6.235 -22.304 2.738 858 2HZ LYS 109 2HZ LYS 109 7.220 -20.981 2.709 859 3HZ LYS 109 3HZ LYS 109 7.468 -22.170 3.825 860 H GLY 110 H GLY 110 3.241 -15.982 3.985 861 1HA GLY 110 1HA GLY 110 3.505 -14.035 5.496 862 2HA GLY 110 2HA GLY 110 3.901 -15.156 6.803 863 H PHE 111 H PHE 111 5.410 -12.950 5.496 864 HA PHE 111 HA PHE 111 7.972 -14.287 5.442 865 1HB PHE 111 1HB PHE 111 8.705 -13.498 3.279 866 2HB PHE 111 2HB PHE 111 7.339 -14.582 3.087 867 HD1 PHE 111 HD1 PHE 111 5.044 -13.624 2.560 868 HD2 PHE 111 HD2 PHE 111 8.623 -11.224 2.476 869 HE1 PHE 111 HE1 PHE 111 3.871 -11.919 1.192 870 HE2 PHE 111 HE2 PHE 111 7.449 -9.526 1.102 871 HZ PHE 111 1HZ PHE 111 5.074 -9.866 0.463 872 H VAL 112 H VAL 112 9.436 -12.970 6.369 873 HA VAL 112 HA VAL 112 8.674 -10.374 7.339 874 HB VAL 112 HB VAL 112 11.289 -11.929 7.330 875 1HG1 VAL 112 1HG1 VAL 112 10.650 -9.223 8.558 876 2HG1 VAL 112 2HG1 VAL 112 12.004 -10.245 9.089 877 3HG1 VAL 112 3HG1 VAL 112 11.969 -9.624 7.438 878 1HG2 VAL 112 1HG2 VAL 112 9.460 -12.851 8.741 879 2HG2 VAL 112 2HG2 VAL 112 10.766 -12.194 9.737 880 3HG2 VAL 112 3HG2 VAL 112 9.266 -11.269 9.523 881 H VAL 113 H VAL 113 9.288 -8.351 6.660 882 HA VAL 113 HA VAL 113 9.745 -7.892 3.915 883 HB VAL 113 HB VAL 113 10.016 -6.088 6.344 884 1HG1 VAL 113 1HG1 VAL 113 10.000 -5.354 3.380 885 2HG1 VAL 113 2HG1 VAL 113 9.828 -4.203 4.719 886 3HG1 VAL 113 3HG1 VAL 113 11.337 -5.095 4.522 887 1HG2 VAL 113 1HG2 VAL 113 7.724 -6.972 5.916 888 2HG2 VAL 113 2HG2 VAL 113 7.822 -5.236 5.598 889 3HG2 VAL 113 3HG2 VAL 113 7.817 -6.384 4.245 890 HA PRO 114 HA PRO 114 14.128 -8.930 4.270 891 1HB PRO 114 1HB PRO 114 14.914 -8.692 1.676 892 2HB PRO 114 2HB PRO 114 13.805 -9.981 2.228 893 1HG PRO 114 1HG PRO 114 13.049 -7.325 0.976 894 2HG PRO 114 2HG PRO 114 12.513 -8.958 0.477 895 1HD PRO 114 1HD PRO 114 11.010 -7.398 2.109 896 2HD PRO 114 2HD PRO 114 11.105 -9.166 2.375 897 H ASP 115 H ASP 115 12.916 -5.862 3.086 898 HA ASP 115 HA ASP 115 13.600 -3.782 3.252 899 1HB ASP 115 1HB ASP 115 14.257 -4.457 5.562 900 2HB ASP 115 2HB ASP 115 15.913 -4.689 5.012 901 H LEU 116 H LEU 116 13.940 -4.054 1.011 902 HA LEU 116 HA LEU 116 15.104 -3.865 -0.942 903 1HB LEU 116 1HB LEU 116 15.975 -1.597 -1.051 904 2HB LEU 116 2HB LEU 116 14.425 -1.730 -0.246 905 HG LEU 116 HG LEU 116 16.715 -1.793 1.653 906 1HD1 LEU 116 1HD1 LEU 116 16.207 0.701 -0.005 907 2HD1 LEU 116 2HD1 LEU 116 17.183 0.618 1.479 908 3HD1 LEU 116 3HD1 LEU 116 17.690 -0.274 0.035 909 1HD2 LEU 116 1HD2 LEU 116 14.279 -1.553 2.289 910 2HD2 LEU 116 2HD2 LEU 116 15.326 -0.260 2.900 911 3HD2 LEU 116 3HD2 LEU 116 14.285 0.035 1.499 912 H SER 117 H SER 117 16.414 -5.801 -0.620 913 HA SER 117 HA SER 117 18.429 -6.931 -0.452 914 1HB SER 117 1HB SER 117 17.624 -6.660 -2.731 915 2HB SER 117 2HB SER 117 18.561 -5.175 -2.936 916 HG SER 117 HG SER 117 19.587 -7.764 -2.350 917 H GLU 118 H GLU 118 20.266 -4.505 -2.118 918 HA GLU 118 HA GLU 118 21.340 -3.164 0.143 919 1HB GLU 118 1HB GLU 118 23.583 -3.919 0.199 920 2HB GLU 118 2HB GLU 118 22.546 -5.306 0.495 921 1HG GLU 118 1HG GLU 118 23.991 -4.643 -2.119 922 2HG GLU 118 2HG GLU 118 24.470 -5.848 -0.928 923 H HIS 119 H HIS 119 21.562 -4.026 -3.269 924 HA HIS 119 HA HIS 119 23.126 -1.682 -4.023 925 1HB HIS 119 1HB HIS 119 22.983 -2.584 -6.244 926 2HB HIS 119 2HB HIS 119 23.388 -3.874 -5.116 927 HD1 HIS 119 HD1 HIS 119 20.855 -5.221 -4.281 928 HD2 HIS 119 HD2 HIS 119 21.265 -3.339 -8.023 929 HE1 HIS 119 HE1 HIS 119 19.045 -6.196 -5.794 930 H ILE 120 H ILE 120 20.917 -0.820 -2.640 931 HA ILE 120 HA ILE 120 19.499 0.904 -4.417 932 HB ILE 120 HB ILE 120 18.170 -0.997 -4.983 933 1HG1 ILE 120 1HG1 ILE 120 16.577 0.305 -2.740 934 2HG1 ILE 120 2HG1 ILE 120 16.983 1.134 -4.258 935 1HG2 ILE 120 1HG2 ILE 120 18.100 -1.627 -2.019 936 2HG2 ILE 120 2HG2 ILE 120 17.120 -2.482 -3.227 937 3HG2 ILE 120 3HG2 ILE 120 18.872 -2.599 -3.283 938 1HD1 ILE 120 1HD1 ILE 120 15.817 -0.663 -5.528 939 2HD1 ILE 120 2HD1 ILE 120 15.328 -1.421 -3.990 940 3HD1 ILE 120 3HD1 ILE 120 14.760 0.204 -4.395 941 H LYS 121 H LYS 121 18.153 2.422 -3.177 942 HA LYS 121 HA LYS 121 18.593 2.412 -0.252 943 1HB LYS 121 1HB LYS 121 20.598 3.351 -1.374 944 2HB LYS 121 2HB LYS 121 19.602 4.611 -2.097 945 1HG LYS 121 1HG LYS 121 19.332 4.365 0.873 946 2HG LYS 121 2HG LYS 121 20.966 4.729 0.322 947 1HD LYS 121 1HD LYS 121 20.255 6.676 -0.890 948 2HD LYS 121 2HD LYS 121 18.541 6.348 -0.554 949 1HE LYS 121 1HE LYS 121 18.938 6.674 1.851 950 2HE LYS 121 2HE LYS 121 20.675 6.904 1.555 951 1HZ LYS 121 1HZ LYS 121 18.538 8.610 0.506 952 2HZ LYS 121 2HZ LYS 121 19.517 8.975 1.783 953 3HZ LYS 121 3HZ LYS 121 20.154 8.827 0.268 954 H ASN 122 H ASN 122 16.549 3.251 -2.942 955 HA ASN 122 HA ASN 122 14.667 4.487 -1.051 956 1HB ASN 122 1HB ASN 122 14.333 6.490 -2.264 957 2HB ASN 122 2HB ASN 122 16.010 6.376 -1.744 958 1HD2 ASN 122 1HD2 ASN 122 17.190 5.829 -5.220 959 2HD2 ASN 122 2HD2 ASN 122 17.395 5.052 -3.668 960 HA PRO 123 HA PRO 123 12.671 1.807 -4.156 961 1HB PRO 123 1HB PRO 123 11.272 0.382 -1.972 962 2HB PRO 123 2HB PRO 123 12.408 -0.233 -3.171 963 1HG PRO 123 1HG PRO 123 13.019 0.068 -0.502 964 2HG PRO 123 2HG PRO 123 14.227 0.146 -1.822 965 1HD PRO 123 1HD PRO 123 12.877 2.439 -0.395 966 2HD PRO 123 2HD PRO 123 14.601 2.203 -0.792 967 H GLY 124 H GLY 124 10.432 2.032 -1.362 968 1HA GLY 124 1HA GLY 124 8.556 3.596 -1.308 969 2HA GLY 124 2HA GLY 124 8.491 3.536 -3.080 970 H PHE 125 H PHE 125 8.260 1.519 -0.157 971 HA PHE 125 HA PHE 125 6.941 -0.746 -1.370 972 1HB PHE 125 1HB PHE 125 7.179 0.250 1.481 973 2HB PHE 125 2HB PHE 125 6.416 -1.271 1.023 974 HD1 PHE 125 HD1 PHE 125 9.639 0.566 1.263 975 HD2 PHE 125 HD2 PHE 125 7.743 -3.212 0.406 976 HE1 PHE 125 HE1 PHE 125 11.807 -0.587 1.547 977 HE2 PHE 125 HE2 PHE 125 9.924 -4.359 0.680 978 HZ PHE 125 1HZ PHE 125 11.959 -3.051 1.249 979 H ASN 126 H ASN 126 5.133 -0.057 -2.575 980 HA ASN 126 HA ASN 126 3.155 1.733 -1.266 981 1HB ASN 126 1HB ASN 126 3.360 0.798 -4.135 982 2HB ASN 126 2HB ASN 126 2.255 2.014 -3.487 983 1HD2 ASN 126 1HD2 ASN 126 5.328 3.609 -5.084 984 2HD2 ASN 126 2HD2 ASN 126 4.223 2.363 -5.622 985 H LEU 127 H LEU 127 2.085 0.423 0.162 986 HA LEU 127 HA LEU 127 0.828 -2.098 -0.597 987 1HB LEU 127 1HB LEU 127 0.361 -0.230 1.774 988 2HB LEU 127 2HB LEU 127 -0.359 -1.819 1.548 989 HG LEU 127 HG LEU 127 1.337 -2.039 3.133 990 1HD1 LEU 127 1HD1 LEU 127 1.202 -3.839 1.390 991 2HD1 LEU 127 2HD1 LEU 127 2.589 -3.078 0.575 992 3HD1 LEU 127 3HD1 LEU 127 2.775 -3.730 2.211 993 1HD2 LEU 127 1HD2 LEU 127 2.660 0.023 2.535 994 2HD2 LEU 127 2HD2 LEU 127 3.621 -1.406 2.958 995 3HD2 LEU 127 3HD2 LEU 127 3.459 -0.935 1.266 996 H ILE 128 H ILE 128 -0.496 -1.809 -2.343 997 HA ILE 128 HA ILE 128 -2.773 0.125 -2.122 998 HB ILE 128 HB ILE 128 -1.126 -0.639 -4.564 999 1HG1 ILE 128 1HG1 ILE 128 -1.592 2.029 -3.145 1000 2HG1 ILE 128 2HG1 ILE 128 -0.108 1.049 -3.090 1001 1HG2 ILE 128 1HG2 ILE 128 -3.669 1.037 -4.355 1002 2HG2 ILE 128 2HG2 ILE 128 -2.696 0.822 -5.826 1003 3HG2 ILE 128 3HG2 ILE 128 -3.540 -0.548 -5.136 1004 1HD1 ILE 128 1HD1 ILE 128 0.115 1.339 -5.580 1005 2HD1 ILE 128 2HD1 ILE 128 -1.258 2.476 -5.537 1006 3HD1 ILE 128 3HD1 ILE 128 0.224 2.852 -4.657 1007 H THR 129 H THR 129 -4.481 -1.106 -1.627 1008 HA THR 129 HA THR 129 -4.996 -3.605 -3.178 1009 HB THR 129 1HB THR 129 -5.271 -3.216 -0.167 1010 HG1 THR 129 HG1 THR 129 -3.171 -3.682 -0.908 1011 1HG2 THR 129 1HG2 THR 129 -7.147 -4.571 -0.984 1012 2HG2 THR 129 2HG2 THR 129 -6.046 -5.555 -1.972 1013 H LYS 130 H LYS 130 -6.920 -3.504 -4.153 1014 HA LYS 130 HA LYS 130 -8.667 -1.275 -3.862 1015 1HB LYS 130 1HB LYS 130 -8.327 -2.674 -5.938 1016 2HB LYS 130 2HB LYS 130 -9.198 -3.980 -5.124 1017 1HG LYS 130 1HG LYS 130 -11.048 -2.006 -4.840 1018 2HG LYS 130 2HG LYS 130 -10.224 -1.395 -6.276 1019 1HD LYS 130 1HD LYS 130 -11.477 -4.154 -5.895 1020 2HD LYS 130 2HD LYS 130 -12.181 -2.823 -6.810 1021 1HE LYS 130 1HE LYS 130 -10.337 -2.898 -8.431 1022 2HE LYS 130 2HE LYS 130 -9.560 -4.210 -7.525 1023 1HZ LYS 130 1HZ LYS 130 -12.205 -4.348 -8.770 1024 2HZ LYS 130 2HZ LYS 130 -10.823 -5.044 -9.343 1025 3HZ LYS 130 3HZ LYS 130 -11.475 -5.554 -7.916 1026 H VAL 131 H VAL 131 -10.296 -0.942 -2.476 1027 HA VAL 131 HA VAL 131 -11.662 -3.261 -1.193 1028 HB VAL 131 HB VAL 131 -12.175 -1.913 0.716 1029 1HG1 VAL 131 1HG1 VAL 131 -10.055 -3.193 0.762 1030 2HG1 VAL 131 2HG1 VAL 131 -9.179 -1.776 0.166 1031 3HG1 VAL 131 3HG1 VAL 131 -9.971 -1.732 1.751 1032 1HG2 VAL 131 1HG2 VAL 131 -10.573 0.325 -0.590 1033 2HG2 VAL 131 2HG2 VAL 131 -12.302 0.322 -0.202 1034 3HG2 VAL 131 3HG2 VAL 131 -11.122 0.301 1.102 1035 H VAL 132 H VAL 132 -13.841 -3.331 -1.436 1036 HA VAL 132 HA VAL 132 -15.115 -1.354 -3.239 1037 HB VAL 132 HB VAL 132 -16.177 -3.993 -2.154 1038 1HG1 VAL 132 1HG1 VAL 132 -17.944 -2.376 -2.841 1039 2HG1 VAL 132 2HG1 VAL 132 -17.134 -2.168 -4.405 1040 3HG1 VAL 132 3HG1 VAL 132 -17.837 -3.739 -3.965 1041 1HG2 VAL 132 1HG2 VAL 132 -14.885 -3.319 -4.835 1042 2HG2 VAL 132 2HG2 VAL 132 -14.230 -4.416 -3.600 1043 3HG2 VAL 132 3HG2 VAL 132 -15.721 -4.838 -4.448 1044 H ILE 133 H ILE 133 -15.389 0.448 -1.939 1045 HA ILE 133 HA ILE 133 -16.149 0.289 0.811 1046 HB ILE 133 HB ILE 133 -16.183 2.654 -1.088 1047 1HG1 ILE 133 1HG1 ILE 133 -14.096 1.591 0.859 1048 2HG1 ILE 133 2HG1 ILE 133 -13.984 1.664 -0.915 1049 1HG2 ILE 133 1HG2 ILE 133 -17.627 3.048 0.900 1050 2HG2 ILE 133 2HG2 ILE 133 -16.280 2.583 1.962 1051 3HG2 ILE 133 3HG2 ILE 133 -16.197 4.047 0.956 1052 1HD1 ILE 133 1HD1 ILE 133 -14.073 4.171 -0.768 1053 2HD1 ILE 133 2HD1 ILE 133 -13.995 4.038 1.008 1054 3HD1 ILE 133 3HD1 ILE 133 -12.659 3.442 0.028 1055 H GLU 134 H GLU 134 -18.050 0.231 1.729 1056 HA GLU 134 HA GLU 134 -20.557 0.930 0.274 1057 1HB GLU 134 1HB GLU 134 -20.561 -1.359 1.062 1058 2HB GLU 134 2HB GLU 134 -20.046 -0.858 2.681 1059 1HG GLU 134 1HG GLU 134 -22.168 0.341 3.020 1060 2HG GLU 134 2HG GLU 134 -22.654 -0.017 1.353 1061 H LYS 135 H LYS 135 -21.563 2.741 1.056 1062 HA LYS 135 HA LYS 135 -20.077 4.394 2.956 1063 1HB LYS 135 1HB LYS 135 -22.561 4.879 1.269 1064 2HB LYS 135 2HB LYS 135 -21.817 6.084 2.332 1065 1HG LYS 135 1HG LYS 135 -19.670 5.842 1.090 1066 2HG LYS 135 2HG LYS 135 -20.450 4.707 -0.026 1067 1HD LYS 135 1HD LYS 135 -22.077 6.446 -0.680 1068 2HD LYS 135 2HD LYS 135 -21.317 7.601 0.428 1069 1HE LYS 135 1HE LYS 135 -19.933 6.262 -1.942 1070 2HE LYS 135 2HE LYS 135 -20.596 7.906 -1.930 1071 1HZ LYS 135 1HZ LYS 135 -19.072 8.441 -0.166 1072 2HZ LYS 135 2HZ LYS 135 -18.424 6.926 -0.219 1073 3HZ LYS 135 3HZ LYS 135 -18.270 7.932 -1.513 1074 H LYS 136 H LYS 136 -20.422 4.301 5.095 1075 HA LYS 136 HA LYS 136 -22.702 2.955 6.252 1076 1HB LYS 136 1HB LYS 136 -20.372 3.023 7.199 1077 2HB LYS 136 2HB LYS 136 -20.638 4.728 7.608 1078 1HG LYS 136 1HG LYS 136 -22.696 3.976 8.917 1079 2HG LYS 136 2HG LYS 136 -22.167 2.310 8.651 1080 1HD LYS 136 1HD LYS 136 -20.656 4.502 10.162 1081 2HD LYS 136 2HD LYS 136 -21.540 3.141 10.852 1082 1HE LYS 136 1HE LYS 136 -19.361 2.399 10.991 1083 2HE LYS 136 2HE LYS 136 -19.904 1.627 9.492 1084 1HZ LYS 136 1HZ LYS 136 -18.345 4.115 9.727 1085 2HZ LYS 136 2HZ LYS 136 -17.745 2.640 9.302 1086 3HZ LYS 136 3HZ LYS 136 -18.800 3.418 8.308 No H/Q in entry = 1086 Start of MODEL 8 1 H SER 1 H SER 1 -15.783 9.491 8.137 2 HA SER 1 HA SER 1 -17.862 10.910 7.689 3 1HB SER 1 1HB SER 1 -17.029 12.842 8.921 4 2HB SER 1 2HB SER 1 -16.369 11.347 9.607 5 HG SER 1 HG SER 1 -14.460 11.761 8.384 6 H SER 2 H SER 2 -15.015 11.420 5.692 7 HA SER 2 HA SER 2 -16.452 13.459 4.039 8 1HB SER 2 1HB SER 2 -13.496 13.327 4.761 9 2HB SER 2 2HB SER 2 -14.272 14.537 3.715 10 HG SER 2 HG SER 2 -13.999 15.266 5.864 11 H SER 3 H SER 3 -15.431 13.656 1.864 12 HA SER 3 HA SER 3 -14.989 11.012 0.623 13 1HB SER 3 1HB SER 3 -15.368 13.790 -0.563 14 2HB SER 3 2HB SER 3 -15.218 12.273 -1.480 15 HG SER 3 HG SER 3 -17.074 11.529 -0.361 16 H PHE 4 H PHE 4 -12.978 10.985 1.999 17 HA PHE 4 HA PHE 4 -10.862 11.265 2.501 18 1HB PHE 4 1HB PHE 4 -9.308 10.532 0.946 19 2HB PHE 4 2HB PHE 4 -10.803 9.638 0.719 20 HD1 PHE 4 HD1 PHE 4 -12.271 10.162 -1.309 21 HD2 PHE 4 HD2 PHE 4 -8.247 11.650 -0.872 22 HE1 PHE 4 HE1 PHE 4 -12.164 10.593 -3.745 23 HE2 PHE 4 HE2 PHE 4 -8.145 12.067 -3.312 24 HZ PHE 4 1HZ PHE 4 -10.098 11.539 -4.753 25 H ASP 5 H ASP 5 -10.641 13.235 3.437 26 HA ASP 5 HA ASP 5 -10.058 15.667 2.013 27 1HB ASP 5 1HB ASP 5 -9.300 14.909 4.859 28 2HB ASP 5 2HB ASP 5 -9.413 16.538 4.188 29 H LYS 6 H LYS 6 -7.931 16.798 2.414 30 HA LYS 6 HA LYS 6 -5.747 17.088 2.140 31 1HB LYS 6 1HB LYS 6 -5.375 14.128 2.771 32 2HB LYS 6 2HB LYS 6 -4.094 15.211 2.298 33 1HG LYS 6 1HG LYS 6 -4.107 15.022 4.660 34 2HG LYS 6 2HG LYS 6 -4.505 16.682 4.201 35 1HD LYS 6 1HD LYS 6 -6.856 16.327 4.746 36 2HD LYS 6 2HD LYS 6 -6.578 14.582 4.981 37 1HE LYS 6 1HE LYS 6 -5.120 15.081 6.904 38 2HE LYS 6 2HE LYS 6 -5.342 16.823 6.633 39 1HZ LYS 6 1HZ LYS 6 -7.673 16.523 7.043 40 2HZ LYS 6 2HZ LYS 6 -7.465 14.910 7.302 41 3HZ LYS 6 3HZ LYS 6 -6.789 16.004 8.334 42 H GLY 7 H GLY 7 -7.178 14.373 0.310 43 1HA GLY 7 1HA GLY 7 -7.325 14.072 -1.932 44 2HA GLY 7 2HA GLY 7 -6.663 15.697 -2.168 45 H LYS 8 H LYS 8 -5.444 12.627 -0.762 46 HA LYS 8 HA LYS 8 -3.557 11.453 -0.997 47 1HB LYS 8 1HB LYS 8 -3.774 12.284 -3.907 48 2HB LYS 8 2HB LYS 8 -2.800 10.954 -3.265 49 1HG LYS 8 1HG LYS 8 -4.793 9.864 -2.361 50 2HG LYS 8 2HG LYS 8 -5.844 11.125 -3.006 51 1HD LYS 8 1HD LYS 8 -3.990 9.680 -4.910 52 2HD LYS 8 2HD LYS 8 -5.405 8.833 -4.286 53 1HE LYS 8 1HE LYS 8 -5.939 9.867 -6.419 54 2HE LYS 8 2HE LYS 8 -6.910 10.580 -5.122 55 1HZ LYS 8 1HZ LYS 8 -4.485 11.766 -6.270 56 2HZ LYS 8 2HZ LYS 8 -6.033 12.206 -6.632 57 3HZ LYS 8 3HZ LYS 8 -5.447 12.441 -5.112 58 H TYR 9 H TYR 9 -2.860 13.491 0.325 59 HA TYR 9 HA TYR 9 -0.314 14.543 -0.856 60 1HB TYR 9 1HB TYR 9 -1.825 16.368 -0.455 61 2HB TYR 9 2HB TYR 9 -2.235 15.759 1.143 62 HD1 TYR 9 HD1 TYR 9 0.682 17.017 -0.867 63 HD2 TYR 9 HD2 TYR 9 -1.016 16.456 3.057 64 HE1 TYR 9 HE1 TYR 9 2.517 18.359 0.124 65 HE2 TYR 9 HE2 TYR 9 0.816 17.794 4.043 66 HH TYR 9 HH TYR 9 2.714 19.029 3.641 67 H LYS 10 H LYS 10 1.390 13.564 -0.012 68 HA LYS 10 HA LYS 10 1.243 12.261 2.681 69 1HB LYS 10 1HB LYS 10 2.710 11.283 0.185 70 2HB LYS 10 2HB LYS 10 2.562 10.473 1.753 71 1HG LYS 10 1HG LYS 10 0.967 9.330 0.578 72 2HG LYS 10 2HG LYS 10 0.001 10.600 1.319 73 1HD LYS 10 1HD LYS 10 -0.799 10.935 -0.763 74 2HD LYS 10 2HD LYS 10 0.692 11.802 -1.103 75 1HE LYS 10 1HE LYS 10 0.287 8.828 -1.601 76 2HE LYS 10 2HE LYS 10 0.096 10.108 -2.813 77 1HZ LYS 10 1HZ LYS 10 2.370 10.708 -2.473 78 2HZ LYS 10 2HZ LYS 10 2.562 9.518 -1.348 79 3HZ LYS 10 3HZ LYS 10 2.251 9.125 -2.918 80 H LYS 11 H LYS 11 2.105 14.929 2.375 81 HA LYS 11 HA LYS 11 3.774 16.391 2.648 82 1HB LYS 11 1HB LYS 11 5.307 14.029 3.809 83 2HB LYS 11 2HB LYS 11 5.863 15.708 3.802 84 1HG LYS 11 1HG LYS 11 3.874 16.399 5.071 85 2HG LYS 11 2HG LYS 11 3.285 14.723 5.093 86 1HD LYS 11 1HD LYS 11 5.316 14.000 6.290 87 2HD LYS 11 2HD LYS 11 5.946 15.655 6.270 88 1HE LYS 11 1HE LYS 11 3.347 14.796 7.622 89 2HE LYS 11 2HE LYS 11 4.902 15.006 8.445 90 1HZ LYS 11 1HZ LYS 11 4.895 17.289 7.773 91 2HZ LYS 11 2HZ LYS 11 3.431 17.111 7.035 92 3HZ LYS 11 3HZ LYS 11 3.557 16.931 8.668 93 H GLY 12 H GLY 12 6.210 13.935 1.980 94 1HA GLY 12 1HA GLY 12 6.088 14.167 -0.888 95 2HA GLY 12 2HA GLY 12 7.486 15.028 -0.205 96 H ASP 13 H ASP 13 5.773 12.067 0.759 97 HA ASP 13 HA ASP 13 6.598 10.159 1.708 98 1HB ASP 13 1HB ASP 13 7.309 9.773 -1.219 99 2HB ASP 13 2HB ASP 13 6.874 8.530 -0.046 100 H ASP 14 H ASP 14 8.464 11.643 2.663 101 HA ASP 14 HA ASP 14 10.634 11.897 3.280 102 1HB ASP 14 1HB ASP 14 10.466 8.870 3.039 103 2HB ASP 14 2HB ASP 14 11.698 9.756 3.949 104 H ALA 15 H ALA 15 11.047 12.971 1.184 105 HA ALA 15 HA ALA 15 12.235 13.424 -0.653 106 1HB ALA 15 1HB ALA 15 14.183 12.892 0.758 107 2HB ALA 15 2HB ALA 15 14.144 11.207 0.203 108 3HB ALA 15 3HB ALA 15 14.451 12.517 -0.952 109 H SER 16 H SER 16 10.225 12.622 -1.621 110 HA SER 16 HA SER 16 9.994 10.061 -2.861 111 1HB SER 16 1HB SER 16 8.075 11.539 -2.375 112 2HB SER 16 2HB SER 16 8.680 12.739 -3.522 113 HG SER 16 HG SER 16 8.424 11.188 -5.156 114 H TYR 17 H TYR 17 11.389 9.358 -4.389 115 HA TYR 17 HA TYR 17 12.725 9.223 -6.157 116 1HB TYR 17 1HB TYR 17 10.845 11.382 -7.146 117 2HB TYR 17 2HB TYR 17 12.154 10.805 -8.145 118 HD1 TYR 17 HD1 TYR 17 9.189 9.544 -6.209 119 HD2 TYR 17 HD2 TYR 17 11.969 8.871 -9.435 120 HE1 TYR 17 HE1 TYR 17 7.931 7.520 -6.872 121 HE2 TYR 17 HE2 TYR 17 10.750 6.818 -10.055 122 HH TYR 17 HH TYR 17 8.966 5.432 -9.596 123 H PHE 18 H PHE 18 14.093 10.808 -7.824 124 HA PHE 18 HA PHE 18 15.929 11.995 -8.096 125 1HB PHE 18 1HB PHE 18 14.596 13.919 -7.466 126 2HB PHE 18 2HB PHE 18 14.975 13.691 -5.764 127 HD1 PHE 18 HD1 PHE 18 16.581 14.297 -9.106 128 HD2 PHE 18 HD2 PHE 18 16.934 14.674 -4.822 129 HE1 PHE 18 HE1 PHE 18 18.698 15.559 -9.385 130 HE2 PHE 18 HE2 PHE 18 19.049 15.930 -5.111 131 HZ PHE 18 1HZ PHE 18 19.935 16.375 -7.390 132 H GLU 19 H GLU 19 17.223 10.241 -7.696 133 HA GLU 19 HA GLU 19 19.100 9.349 -7.022 134 1HB GLU 19 1HB GLU 19 19.402 11.841 -5.288 135 2HB GLU 19 2HB GLU 19 20.707 10.765 -5.781 136 1HG GLU 19 1HG GLU 19 20.207 11.247 -8.171 137 2HG GLU 19 2HG GLU 19 19.002 12.441 -7.664 138 HA PRO 20 HA PRO 20 18.766 7.101 -3.179 139 1HB PRO 20 1HB PRO 20 21.708 7.484 -2.696 140 2HB PRO 20 2HB PRO 20 20.740 5.978 -2.702 141 1HG PRO 20 1HG PRO 20 22.307 6.573 -4.804 142 2HG PRO 20 2HG PRO 20 20.651 5.939 -5.066 143 1HD PRO 20 1HD PRO 20 21.566 8.821 -5.121 144 2HD PRO 20 2HD PRO 20 20.597 7.931 -6.333 145 H THR 21 H THR 21 17.589 8.223 -1.721 146 HA THR 21 HA THR 21 18.885 10.300 -0.034 147 HB THR 21 HB THR 21 16.841 11.712 -0.395 148 HG1 THR 21 HG1 THR 21 16.507 10.036 -2.660 149 1HG2 THR 21 1HG2 THR 21 17.624 12.745 -2.450 150 2HG2 THR 21 2HG2 THR 21 19.005 12.269 -1.445 151 H GLY 22 H GLY 22 15.779 8.485 -0.582 152 1HA GLY 22 1HA GLY 22 15.636 7.862 2.283 153 2HA GLY 22 2HA GLY 22 14.545 9.115 1.737 154 HA PRO 23 HA PRO 23 13.023 4.673 0.221 155 1HB PRO 23 1HB PRO 23 12.676 4.062 3.154 156 2HB PRO 23 2HB PRO 23 12.927 2.908 1.808 157 1HG PRO 23 1HG PRO 23 14.956 3.558 3.493 158 2HG PRO 23 2HG PRO 23 15.256 3.468 1.735 159 1HD PRO 23 1HD PRO 23 14.755 5.925 3.439 160 2HD PRO 23 2HD PRO 23 15.975 5.668 2.155 161 H TYR 24 H TYR 24 10.749 3.893 0.614 162 HA TYR 24 HA TYR 24 9.028 5.242 2.449 163 1HB TYR 24 1HB TYR 24 7.470 6.218 0.731 164 2HB TYR 24 2HB TYR 24 8.971 7.074 0.988 165 HD1 TYR 24 HD1 TYR 24 10.681 7.248 -0.751 166 HD2 TYR 24 HD2 TYR 24 7.033 5.046 -1.418 167 HE1 TYR 24 HE1 TYR 24 11.188 7.146 -3.171 168 HE2 TYR 24 HE2 TYR 24 7.510 5.006 -3.851 169 HH TYR 24 HH TYR 24 10.511 6.395 -5.239 170 H LEU 25 H LEU 25 6.746 4.550 2.182 171 HA LEU 25 HA LEU 25 6.251 1.970 0.928 172 1HB LEU 25 1HB LEU 25 7.761 1.546 2.892 173 2HB LEU 25 2HB LEU 25 6.537 2.177 3.972 174 HG LEU 25 HG LEU 25 6.170 -0.253 2.157 175 1HD1 LEU 25 1HD1 LEU 25 6.903 -0.103 5.103 176 2HD1 LEU 25 2HD1 LEU 25 6.510 -1.586 4.205 177 3HD1 LEU 25 3HD1 LEU 25 7.952 -0.659 3.780 178 1HD2 LEU 25 1HD2 LEU 25 4.537 0.754 4.494 179 2HD2 LEU 25 2HD2 LEU 25 4.016 0.659 2.784 180 3HD2 LEU 25 3HD2 LEU 25 4.318 -0.817 3.699 181 H MET 26 H MET 26 4.389 2.941 0.057 182 HA MET 26 HA MET 26 2.722 4.686 1.696 183 1HB MET 26 1HB MET 26 2.453 3.803 -1.197 184 2HB MET 26 2HB MET 26 1.514 5.065 -0.370 185 1HG MET 26 1HG MET 26 3.675 6.249 0.131 186 2HG MET 26 2HG MET 26 4.512 5.098 -0.915 187 1HE MET 26 1HE MET 26 2.827 4.626 -3.397 188 2HE MET 26 2HE MET 26 3.149 6.013 -4.459 189 3HE MET 26 3HE MET 26 4.488 5.250 -3.581 190 H VAL 27 H VAL 27 1.396 3.693 3.148 191 HA VAL 27 HA VAL 27 0.032 1.149 2.459 192 HB VAL 27 HB VAL 27 0.347 2.562 5.142 193 1HG1 VAL 27 1HG1 VAL 27 -0.550 -0.256 4.379 194 2HG1 VAL 27 2HG1 VAL 27 -0.226 0.302 6.024 195 3HG1 VAL 27 3HG1 VAL 27 -1.565 1.008 5.118 196 1HG2 VAL 27 1HG2 VAL 27 1.924 0.275 3.922 197 2HG2 VAL 27 2HG2 VAL 27 2.534 1.904 4.330 198 3HG2 VAL 27 3HG2 VAL 27 2.030 0.805 5.615 199 H ASN 28 H ASN 28 -1.749 1.778 1.221 200 HA ASN 28 HA ASN 28 -4.051 2.598 2.726 201 1HB ASN 28 1HB ASN 28 -2.832 4.506 0.706 202 2HB ASN 28 2HB ASN 28 -4.581 4.476 0.941 203 1HD2 ASN 28 1HD2 ASN 28 -4.392 5.719 4.380 204 2HD2 ASN 28 2HD2 ASN 28 -5.138 4.396 3.511 205 H VAL 29 H VAL 29 -6.003 2.758 1.238 206 HA VAL 29 HA VAL 29 -5.893 0.535 -0.715 207 HB VAL 29 HB VAL 29 -8.220 0.240 -0.326 208 1HG1 VAL 29 1HG1 VAL 29 -6.688 -0.664 1.384 209 2HG1 VAL 29 2HG1 VAL 29 -6.947 0.799 2.370 210 3HG1 VAL 29 3HG1 VAL 29 -8.294 -0.286 2.038 211 1HG2 VAL 29 1HG2 VAL 29 -8.134 2.802 1.303 212 2HG2 VAL 29 2HG2 VAL 29 -9.042 2.550 -0.201 213 3HG2 VAL 29 3HG2 VAL 29 -9.507 1.682 1.263 214 H THR 30 H THR 30 -7.861 0.795 -2.301 215 HA THR 30 HA THR 30 -8.197 3.545 -3.358 216 HB THR 30 HB THR 30 -7.713 1.049 -5.048 217 HG1 THR 30 HG1 THR 30 -5.872 2.228 -5.683 218 1HG2 THR 30 1HG2 THR 30 -7.818 2.654 -6.947 219 2HG2 THR 30 2HG2 THR 30 -9.365 2.588 -6.085 220 H GLY 31 H GLY 31 -10.247 3.844 -2.625 221 1HA GLY 31 1HA GLY 31 -12.076 1.693 -2.137 222 2HA GLY 31 2HA GLY 31 -12.387 3.430 -2.005 223 H VAL 32 H VAL 32 -13.382 0.710 -3.611 224 HA VAL 32 HA VAL 32 -14.552 2.317 -5.828 225 HB VAL 32 HB VAL 32 -14.364 0.439 -7.338 226 1HG1 VAL 32 1HG1 VAL 32 -12.526 2.103 -7.304 227 2HG1 VAL 32 2HG1 VAL 32 -11.626 1.078 -6.167 228 3HG1 VAL 32 3HG1 VAL 32 -11.982 0.494 -7.800 229 1HG2 VAL 32 1HG2 VAL 32 -14.371 -1.429 -5.681 230 2HG2 VAL 32 2HG2 VAL 32 -13.056 -1.544 -6.852 231 3HG2 VAL 32 3HG2 VAL 32 -12.724 -0.975 -5.201 232 H ASP 33 H ASP 33 -16.471 1.274 -6.764 233 HA ASP 33 HA ASP 33 -18.394 0.661 -4.718 234 1HB ASP 33 1HB ASP 33 -18.769 2.043 -6.779 235 2HB ASP 33 2HB ASP 33 -18.604 0.580 -7.758 236 H SER 34 H SER 34 -20.003 -1.242 -5.204 237 HA SER 34 HA SER 34 -18.560 -3.787 -5.314 238 1HB SER 34 1HB SER 34 -21.517 -3.148 -5.020 239 2HB SER 34 2HB SER 34 -20.757 -4.738 -4.782 240 HG SER 34 HG SER 34 -21.046 -3.590 -2.829 241 H LYS 35 H LYS 35 -18.537 -2.113 -7.758 242 HA LYS 35 HA LYS 35 -19.211 -4.282 -9.625 243 1HB LYS 35 1HB LYS 35 -19.901 -1.331 -10.015 244 2HB LYS 35 2HB LYS 35 -19.889 -2.527 -11.314 245 1HG LYS 35 1HG LYS 35 -21.708 -2.629 -8.864 246 2HG LYS 35 2HG LYS 35 -22.149 -2.012 -10.458 247 1HD LYS 35 1HD LYS 35 -21.695 -4.234 -11.471 248 2HD LYS 35 2HD LYS 35 -21.329 -4.891 -9.864 249 1HE LYS 35 1HE LYS 35 -23.605 -4.290 -9.093 250 2HE LYS 35 2HE LYS 35 -23.986 -3.681 -10.719 251 1HZ LYS 35 1HZ LYS 35 -23.580 -5.877 -11.560 252 2HZ LYS 35 2HZ LYS 35 -23.231 -6.436 -10.048 253 3HZ LYS 35 3HZ LYS 35 -24.752 -5.907 -10.400 254 H GLY 36 H GLY 36 -17.748 -1.017 -9.285 255 1HA GLY 36 1HA GLY 36 -15.170 -1.310 -9.180 256 2HA GLY 36 2HA GLY 36 -15.364 -1.863 -10.854 257 H ASN 37 H ASN 37 -16.424 0.818 -8.710 258 HA ASN 37 HA ASN 37 -15.786 2.812 -10.829 259 1HB ASN 37 1HB ASN 37 -18.384 2.688 -9.235 260 2HB ASN 37 2HB ASN 37 -17.911 3.961 -10.367 261 1HD2 ASN 37 1HD2 ASN 37 -18.450 1.942 -13.326 262 2HD2 ASN 37 2HD2 ASN 37 -17.422 3.201 -12.675 263 H GLU 38 H GLU 38 -14.483 4.313 -9.968 264 HA GLU 38 HA GLU 38 -13.554 4.170 -7.347 265 1HB GLU 38 1HB GLU 38 -12.323 5.059 -9.288 266 2HB GLU 38 2HB GLU 38 -13.342 6.507 -9.278 267 1HG GLU 38 1HG GLU 38 -12.542 7.001 -6.942 268 2HG GLU 38 2HG GLU 38 -11.517 5.560 -7.019 269 H LEU 39 H LEU 39 -14.807 4.478 -5.602 270 HA LEU 39 HA LEU 39 -16.661 6.763 -5.361 271 1HB LEU 39 1HB LEU 39 -15.849 4.523 -3.463 272 2HB LEU 39 2HB LEU 39 -17.025 5.788 -3.085 273 HG LEU 39 HG LEU 39 -17.315 3.760 -5.352 274 1HD1 LEU 39 1HD1 LEU 39 -18.567 3.888 -2.586 275 2HD1 LEU 39 2HD1 LEU 39 -19.073 2.781 -3.876 276 3HD1 LEU 39 3HD1 LEU 39 -17.441 2.661 -3.199 277 1HD2 LEU 39 1HD2 LEU 39 -19.223 5.864 -4.242 278 2HD2 LEU 39 2HD2 LEU 39 -18.574 5.781 -5.896 279 3HD2 LEU 39 3HD2 LEU 39 -19.706 4.550 -5.335 280 H LEU 40 H LEU 40 -13.783 5.461 -3.648 281 HA LEU 40 HA LEU 40 -12.938 8.251 -2.969 282 1HB LEU 40 1HB LEU 40 -12.584 5.732 -1.311 283 2HB LEU 40 2HB LEU 40 -12.085 7.367 -0.858 284 HG LEU 40 HG LEU 40 -14.981 6.466 -1.214 285 1HD1 LEU 40 1HD1 LEU 40 -13.276 6.914 1.272 286 2HD1 LEU 40 2HD1 LEU 40 -15.024 6.606 1.262 287 3HD1 LEU 40 3HD1 LEU 40 -13.901 5.358 0.689 288 1HD2 LEU 40 1HD2 LEU 40 -14.642 8.931 -1.575 289 2HD2 LEU 40 2HD2 LEU 40 -15.528 8.582 -0.086 290 3HD2 LEU 40 3HD2 LEU 40 -13.809 9.012 -0.005 291 H SER 41 H SER 41 -10.617 8.364 -2.464 292 HA SER 41 HA SER 41 -8.866 6.192 -3.365 293 1HB SER 41 1HB SER 41 -8.728 8.968 -4.617 294 2HB SER 41 2HB SER 41 -7.461 7.723 -4.718 295 HG SER 41 HG SER 41 -10.120 7.479 -5.651 296 HA PRO 42 HA PRO 42 -8.012 8.742 0.402 297 1HB PRO 42 1HB PRO 42 -8.411 6.965 2.390 298 2HB PRO 42 2HB PRO 42 -9.780 7.511 1.391 299 1HG PRO 42 1HG PRO 42 -8.117 5.012 0.988 300 2HG PRO 42 2HG PRO 42 -9.896 5.106 1.161 301 1HD PRO 42 1HD PRO 42 -8.645 5.074 -1.283 302 2HD PRO 42 2HD PRO 42 -10.131 6.015 -0.990 303 H HIS 43 H HIS 43 -5.926 8.315 -1.115 304 HA HIS 43 HA HIS 43 -3.948 6.586 0.264 305 1HB HIS 43 1HB HIS 43 -4.716 6.290 -2.175 306 2HB HIS 43 2HB HIS 43 -3.764 7.721 -2.537 307 HD1 HIS 43 HD1 HIS 43 -1.046 7.362 -2.298 308 HD2 HIS 43 HD2 HIS 43 -3.519 3.991 -1.827 309 HE1 HIS 43 HE1 HIS 43 0.450 5.304 -2.550 310 H TYR 44 H TYR 44 -4.291 8.677 1.769 311 HA TYR 44 HA TYR 44 -2.461 10.877 0.935 312 1HB TYR 44 1HB TYR 44 -3.826 12.342 2.237 313 2HB TYR 44 2HB TYR 44 -4.834 11.465 1.101 314 HD1 TYR 44 HD1 TYR 44 -6.404 9.715 1.867 315 HD2 TYR 44 HD2 TYR 44 -4.155 12.097 4.658 316 HE1 TYR 44 HE1 TYR 44 -7.678 8.713 3.750 317 HE2 TYR 44 HE2 TYR 44 -5.435 11.111 6.533 318 HH TYR 44 HH TYR 44 -7.947 8.602 6.025 319 H VAL 45 H VAL 45 -1.928 8.239 2.647 320 HA VAL 45 HA VAL 45 -0.032 9.715 4.348 321 HB VAL 45 HB VAL 45 -0.372 8.193 6.255 322 1HG1 VAL 45 1HG1 VAL 45 -1.389 10.457 6.250 323 2HG1 VAL 45 2HG1 VAL 45 -2.899 9.749 5.629 324 3HG1 VAL 45 3HG1 VAL 45 -2.291 9.282 7.223 325 1HG2 VAL 45 1HG2 VAL 45 -1.529 6.326 5.086 326 2HG2 VAL 45 2HG2 VAL 45 -2.398 6.892 6.524 327 3HG2 VAL 45 3HG2 VAL 45 -2.974 7.359 4.915 328 H GLU 46 H GLU 46 1.688 8.280 5.170 329 HA GLU 46 HA GLU 46 2.184 5.822 3.670 330 1HB GLU 46 1HB GLU 46 4.167 6.584 2.538 331 2HB GLU 46 2HB GLU 46 2.845 7.669 2.127 332 1HG GLU 46 1HG GLU 46 4.561 9.166 2.506 333 2HG GLU 46 2HG GLU 46 3.760 9.184 4.074 334 H PHE 47 H PHE 47 4.552 5.124 4.182 335 HA PHE 47 HA PHE 47 5.254 5.673 7.008 336 1HB PHE 47 1HB PHE 47 3.818 3.613 6.743 337 2HB PHE 47 2HB PHE 47 5.075 2.913 5.735 338 HD1 PHE 47 HD1 PHE 47 4.137 3.978 9.155 339 HD2 PHE 47 HD2 PHE 47 7.157 2.076 6.738 340 HE1 PHE 47 HE1 PHE 47 5.352 3.293 11.206 341 HE2 PHE 47 HE2 PHE 47 8.430 1.509 8.785 342 HZ PHE 47 1HZ PHE 47 7.516 2.084 11.025 343 HA PRO 48 HA PRO 48 9.083 6.140 4.825 344 1HB PRO 48 1HB PRO 48 10.834 6.669 6.821 345 2HB PRO 48 2HB PRO 48 9.380 7.661 6.573 346 1HG PRO 48 1HG PRO 48 9.635 5.317 8.479 347 2HG PRO 48 2HG PRO 48 9.175 7.002 8.882 348 1HD PRO 48 1HD PRO 48 7.283 5.141 8.380 349 2HD PRO 48 2HD PRO 48 7.106 6.802 7.747 350 H ILE 49 H ILE 49 8.362 3.213 5.473 351 HA ILE 49 HA ILE 49 9.178 1.210 5.239 352 HB ILE 49 HB ILE 49 10.919 2.642 3.681 353 1HG1 ILE 49 1HG1 ILE 49 9.795 0.658 2.949 354 2HG1 ILE 49 2HG1 ILE 49 11.522 0.609 2.580 355 1HG2 ILE 49 1HG2 ILE 49 12.703 0.880 5.437 356 2HG2 ILE 49 2HG2 ILE 49 13.162 1.631 3.912 357 3HG2 ILE 49 3HG2 ILE 49 12.783 2.640 5.304 358 1HD1 ILE 49 1HD1 ILE 49 11.896 -0.969 4.460 359 2HD1 ILE 49 2HD1 ILE 49 10.152 -0.947 4.809 360 3HD1 ILE 49 3HD1 ILE 49 10.738 -1.580 3.274 361 H LYS 50 H LYS 50 9.719 -0.365 6.660 362 HA LYS 50 HA LYS 50 12.189 -0.148 8.028 363 1HB LYS 50 1HB LYS 50 11.596 -0.491 10.294 364 2HB LYS 50 2HB LYS 50 10.774 0.946 9.717 365 1HG LYS 50 1HG LYS 50 9.033 0.055 10.824 366 2HG LYS 50 2HG LYS 50 8.761 -0.835 9.322 367 1HD LYS 50 1HD LYS 50 10.083 -2.757 10.333 368 2HD LYS 50 2HD LYS 50 10.286 -1.790 11.803 369 1HE LYS 50 1HE LYS 50 7.812 -1.709 12.068 370 2HE LYS 50 2HE LYS 50 7.638 -2.719 10.617 371 1HZ LYS 50 1HZ LYS 50 8.886 -4.419 11.744 372 2HZ LYS 50 2HZ LYS 50 9.030 -3.477 13.089 373 3HZ LYS 50 3HZ LYS 50 7.545 -4.011 12.611 374 HA PRO 51 HA PRO 51 11.506 -4.415 6.754 375 1HB PRO 51 1HB PRO 51 13.985 -5.445 7.081 376 2HB PRO 51 2HB PRO 51 13.662 -4.174 5.866 377 1HG PRO 51 1HG PRO 51 14.740 -3.793 8.677 378 2HG PRO 51 2HG PRO 51 15.435 -3.170 7.151 379 1HD PRO 51 1HD PRO 51 13.793 -1.657 8.734 380 2HD PRO 51 2HD PRO 51 13.743 -1.535 6.947 381 H GLY 52 H GLY 52 11.665 -6.626 7.707 382 1HA GLY 52 1HA GLY 52 11.634 -8.154 9.429 383 2HA GLY 52 2HA GLY 52 12.141 -6.913 10.578 384 H THR 53 H THR 53 9.355 -7.649 8.433 385 HA THR 53 HA THR 53 7.529 -7.784 10.683 386 HB THR 53 1HB THR 53 7.461 -5.380 10.289 387 HG1 THR 53 HG1 THR 53 5.545 -6.515 10.775 388 1HG2 THR 53 1HG2 THR 53 6.578 -5.971 7.431 389 2HG2 THR 53 2HG2 THR 53 6.688 -4.386 8.210 390 H THR 54 H THR 54 5.846 -9.152 10.234 391 HA THR 54 HA THR 54 6.239 -10.934 8.020 392 HB THR 54 HB THR 54 4.056 -10.840 10.135 393 HG1 THR 54 HG1 THR 54 6.525 -12.217 10.036 394 1HG2 THR 54 1HG2 THR 54 3.958 -13.308 9.703 395 2HG2 THR 54 2HG2 THR 54 3.396 -12.346 8.332 396 H LEU 55 H LEU 55 5.922 -9.720 6.152 397 HA LEU 55 HA LEU 55 3.567 -8.149 5.699 398 1HB LEU 55 1HB LEU 55 6.057 -7.966 4.795 399 2HB LEU 55 2HB LEU 55 5.472 -8.998 3.507 400 HG LEU 55 HG LEU 55 5.346 -6.756 2.768 401 1HD1 LEU 55 1HD1 LEU 55 3.364 -8.097 2.158 402 2HD1 LEU 55 2HD1 LEU 55 2.500 -7.473 3.586 403 3HD1 LEU 55 3HD1 LEU 55 2.993 -6.367 2.301 404 1HD2 LEU 55 1HD2 LEU 55 5.478 -5.645 4.978 405 2HD2 LEU 55 2HD2 LEU 55 4.263 -4.923 3.913 406 3HD2 LEU 55 3HD2 LEU 55 3.753 -5.973 5.245 407 H THR 56 H THR 56 1.680 -9.140 5.461 408 HA THR 56 HA THR 56 1.308 -11.461 3.625 409 HB THR 56 HB THR 56 -0.205 -12.398 5.431 410 HG1 THR 56 HG1 THR 56 1.172 -10.533 7.064 411 1HG2 THR 56 1HG2 THR 56 2.740 -12.174 6.171 412 2HG2 THR 56 2HG2 THR 56 1.590 -13.392 6.765 413 H LYS 57 H LYS 57 -1.220 -11.862 3.529 414 HA LYS 57 HA LYS 57 -2.491 -9.388 2.760 415 1HB LYS 57 1HB LYS 57 -4.332 -10.630 2.128 416 2HB LYS 57 2HB LYS 57 -2.932 -11.631 1.751 417 1HG LYS 57 1HG LYS 57 -4.319 -13.207 2.611 418 2HG LYS 57 2HG LYS 57 -3.505 -12.756 4.111 419 1HD LYS 57 1HD LYS 57 -5.443 -11.205 4.616 420 2HD LYS 57 2HD LYS 57 -6.192 -11.669 3.093 421 1HE LYS 57 1HE LYS 57 -5.584 -13.563 5.395 422 2HE LYS 57 2HE LYS 57 -7.151 -12.806 5.074 423 1HZ LYS 57 1HZ LYS 57 -7.198 -13.895 2.957 424 2HZ LYS 57 2HZ LYS 57 -5.758 -14.639 3.261 425 3HZ LYS 57 3HZ LYS 57 -7.078 -14.991 4.184 426 H GLU 58 H GLU 58 -2.580 -11.510 5.643 427 HA GLU 58 HA GLU 58 -4.763 -10.201 6.879 428 1HB GLU 58 1HB GLU 58 -4.146 -11.424 8.896 429 2HB GLU 58 2HB GLU 58 -4.259 -12.441 7.455 430 1HG GLU 58 1HG GLU 58 -1.803 -12.504 7.264 431 2HG GLU 58 2HG GLU 58 -1.659 -11.459 8.690 432 H LYS 59 H LYS 59 -1.204 -9.688 7.330 433 HA LYS 59 HA LYS 59 -1.754 -7.457 9.170 434 1HB LYS 59 1HB LYS 59 0.914 -8.435 8.121 435 2HB LYS 59 2HB LYS 59 0.612 -7.295 9.444 436 1HG LYS 59 1HG LYS 59 -0.756 -9.242 10.531 437 2HG LYS 59 2HG LYS 59 0.129 -10.272 9.389 438 1HD LYS 59 1HD LYS 59 2.277 -9.284 10.268 439 2HD LYS 59 2HD LYS 59 1.325 -8.420 11.490 440 1HE LYS 59 1HE LYS 59 0.447 -10.599 12.327 441 2HE LYS 59 2HE LYS 59 1.441 -11.450 11.126 442 1HZ LYS 59 1HZ LYS 59 3.374 -10.511 12.164 443 2HZ LYS 59 2HZ LYS 59 2.445 -9.731 13.281 444 3HZ LYS 59 3HZ LYS 59 2.489 -11.380 13.251 445 H ILE 60 H ILE 60 -2.730 -7.251 6.402 446 HA ILE 60 HA ILE 60 -1.629 -4.564 5.858 447 HB ILE 60 HB ILE 60 -2.032 -6.819 3.877 448 1HG1 ILE 60 1HG1 ILE 60 0.249 -6.557 4.784 449 2HG1 ILE 60 2HG1 ILE 60 0.142 -6.209 3.038 450 1HG2 ILE 60 1HG2 ILE 60 -2.025 -3.859 3.216 451 2HG2 ILE 60 2HG2 ILE 60 -1.766 -5.170 2.043 452 3HG2 ILE 60 3HG2 ILE 60 -3.302 -5.045 2.892 453 1HD1 ILE 60 1HD1 ILE 60 0.177 -3.735 3.644 454 2HD1 ILE 60 2HD1 ILE 60 0.469 -4.199 5.330 455 3HD1 ILE 60 3HD1 ILE 60 1.638 -4.629 4.084 456 H GLU 61 H GLU 61 -4.287 -6.936 5.421 457 HA GLU 61 HA GLU 61 -6.253 -5.185 4.517 458 1HB GLU 61 1HB GLU 61 -6.320 -7.749 6.119 459 2HB GLU 61 2HB GLU 61 -7.814 -6.869 5.777 460 1HG GLU 61 1HG GLU 61 -7.327 -6.895 3.355 461 2HG GLU 61 2HG GLU 61 -5.876 -7.851 3.642 462 H TYR 62 H TYR 62 -5.533 -5.973 8.001 463 HA TYR 62 HA TYR 62 -7.436 -3.988 8.910 464 1HB TYR 62 1HB TYR 62 -6.579 -4.368 11.110 465 2HB TYR 62 2HB TYR 62 -6.962 -5.868 10.289 466 HD1 TYR 62 HD1 TYR 62 -4.047 -3.619 11.152 467 HD2 TYR 62 HD2 TYR 62 -5.449 -7.645 10.496 468 HE1 TYR 62 HE1 TYR 62 -1.878 -4.497 11.923 469 HE2 TYR 62 HE2 TYR 62 -3.306 -8.522 11.363 470 HH TYR 62 HH TYR 62 -0.628 -6.371 12.392 471 H TYR 63 H TYR 63 -3.980 -3.963 8.118 472 HA TYR 63 HA TYR 63 -3.269 -1.663 9.550 473 1HB TYR 63 1HB TYR 63 -1.912 -3.563 8.311 474 2HB TYR 63 2HB TYR 63 -1.862 -2.406 6.989 475 HD1 TYR 63 HD1 TYR 63 -1.305 0.182 8.108 476 HD2 TYR 63 HD2 TYR 63 0.062 -3.671 9.500 477 HE1 TYR 63 HE1 TYR 63 0.692 1.242 9.084 478 HE2 TYR 63 HE2 TYR 63 2.063 -2.598 10.475 479 HH TYR 63 HH TYR 63 2.670 0.927 10.218 480 H VAL 64 H VAL 64 -4.120 -1.997 6.058 481 HA VAL 64 HA VAL 64 -3.896 0.759 5.426 482 HB VAL 64 HB VAL 64 -5.057 0.230 3.378 483 1HG1 VAL 64 1HG1 VAL 64 -3.002 -1.858 4.153 484 2HG1 VAL 64 2HG1 VAL 64 -3.558 -1.522 2.503 485 3HG1 VAL 64 3HG1 VAL 64 -2.734 -0.262 3.423 486 1HG2 VAL 64 1HG2 VAL 64 -5.719 -2.444 4.667 487 2HG2 VAL 64 2HG2 VAL 64 -6.845 -1.236 4.053 488 3HG2 VAL 64 3HG2 VAL 64 -5.817 -2.143 2.934 489 H GLU 65 H GLU 65 -6.597 -1.117 6.785 490 HA GLU 65 HA GLU 65 -8.598 0.904 6.410 491 1HB GLU 65 1HB GLU 65 -8.344 -1.455 8.303 492 2HB GLU 65 2HB GLU 65 -9.722 -0.352 8.346 493 1HG GLU 65 1HG GLU 65 -8.836 -1.925 5.887 494 2HG GLU 65 2HG GLU 65 -10.154 -2.378 6.975 495 H TRP 66 H TRP 66 -6.175 0.293 8.977 496 HA TRP 66 HA TRP 66 -7.135 2.399 10.717 497 1HB TRP 66 1HB TRP 66 -4.378 1.185 10.595 498 2HB TRP 66 2HB TRP 66 -5.112 2.052 11.937 499 HD1 TRP 66 HD1 TRP 66 -3.827 -0.757 12.244 500 HE1 TRP 66 HE1 TRP 66 -5.146 -2.749 13.102 501 HE3 TRP 66 HE3 TRP 66 -8.612 0.855 11.148 502 HZ2 TRP 66 HZ2 TRP 66 -7.901 -3.579 13.280 503 HZ3 TRP 66 HZ3 TRP 66 -10.522 -0.591 11.636 504 HH2 TRP 66 HH2 TRP 66 -10.199 -2.809 12.704 505 H ALA 67 H ALA 67 -4.916 2.262 7.948 506 HA ALA 67 HA ALA 67 -3.631 4.765 8.391 507 1HB ALA 67 1HB ALA 67 -2.741 2.981 6.938 508 2HB ALA 67 2HB ALA 67 -4.068 3.247 5.789 509 3HB ALA 67 3HB ALA 67 -2.883 4.529 6.086 510 H LEU 68 H LEU 68 -6.441 3.837 6.330 511 HA LEU 68 HA LEU 68 -7.015 6.572 5.582 512 1HB LEU 68 1HB LEU 68 -8.924 5.673 4.413 513 2HB LEU 68 2HB LEU 68 -7.452 4.764 4.088 514 HG LEU 68 HG LEU 68 -8.350 3.151 5.982 515 1HD1 LEU 68 1HD1 LEU 68 -10.945 4.404 4.993 516 2HD1 LEU 68 2HD1 LEU 68 -10.805 2.912 5.942 517 3HD1 LEU 68 3HD1 LEU 68 -10.360 4.450 6.671 518 1HD2 LEU 68 1HD2 LEU 68 -9.555 3.289 3.202 519 2HD2 LEU 68 2HD2 LEU 68 -7.996 2.545 3.643 520 3HD2 LEU 68 3HD2 LEU 68 -9.510 1.845 4.234 521 H ASP 69 H ASP 69 -7.682 4.781 8.456 522 HA ASP 69 HA ASP 69 -10.242 5.949 9.048 523 1HB ASP 69 1HB ASP 69 -9.695 3.833 10.007 524 2HB ASP 69 2HB ASP 69 -8.224 4.481 10.757 525 H ALA 70 H ALA 70 -10.002 8.154 8.757 526 HA ALA 70 HA ALA 70 -9.398 9.691 11.053 527 1HB ALA 70 1HB ALA 70 -7.393 9.978 8.767 528 2HB ALA 70 2HB ALA 70 -7.594 11.131 10.099 529 3HB ALA 70 3HB ALA 70 -7.026 9.491 10.431 530 H THR 71 H THR 71 -9.436 9.834 7.457 531 HA THR 71 HA THR 71 -11.159 12.243 7.533 532 HB THR 71 1HB THR 71 -10.596 12.491 5.215 533 HG1 THR 71 HG1 THR 71 -10.358 10.380 4.548 534 1HG2 THR 71 1HG2 THR 71 -9.045 13.440 6.870 535 2HG2 THR 71 2HG2 THR 71 -8.110 11.931 6.898 536 H ALA 72 H ALA 72 -11.014 9.024 5.937 537 HA ALA 72 HA ALA 72 -13.979 9.087 5.503 538 1HB ALA 72 1HB ALA 72 -11.773 7.711 3.922 539 2HB ALA 72 2HB ALA 72 -13.522 7.589 3.621 540 3HB ALA 72 3HB ALA 72 -12.691 9.146 3.427 541 H TYR 73 H TYR 73 -14.595 8.146 7.442 542 HA TYR 73 HA TYR 73 -13.822 5.325 7.902 543 1HB TYR 73 1HB TYR 73 -13.184 5.700 10.139 544 2HB TYR 73 2HB TYR 73 -12.246 6.790 9.123 545 HD1 TYR 73 HD1 TYR 73 -12.833 9.249 9.011 546 HD2 TYR 73 HD2 TYR 73 -14.575 6.566 11.902 547 HE1 TYR 73 HE1 TYR 73 -13.537 11.185 10.391 548 HE2 TYR 73 HE2 TYR 73 -15.289 8.501 13.268 549 HH TYR 73 HH TYR 73 -15.343 10.790 13.460 550 H LYS 74 H LYS 74 -16.320 7.395 7.422 551 HA LYS 74 HA LYS 74 -18.215 5.972 9.206 552 1HB LYS 74 1HB LYS 74 -17.236 7.934 10.402 553 2HB LYS 74 2HB LYS 74 -17.847 8.995 9.125 554 1HG LYS 74 1HG LYS 74 -20.183 8.132 9.660 555 2HG LYS 74 2HG LYS 74 -19.477 7.288 11.050 556 1HD LYS 74 1HD LYS 74 -19.470 10.298 10.522 557 2HD LYS 74 2HD LYS 74 -20.460 9.434 11.709 558 1HE LYS 74 1HE LYS 74 -18.340 8.711 12.872 559 2HE LYS 74 2HE LYS 74 -17.426 9.738 11.745 560 1HZ LYS 74 1HZ LYS 74 -18.640 11.608 12.528 561 2HZ LYS 74 2HZ LYS 74 -19.491 10.671 13.588 562 3HZ LYS 74 3HZ LYS 74 -17.862 10.853 13.771 563 H GLU 75 H GLU 75 -17.702 8.485 6.712 564 HA GLU 75 HA GLU 75 -20.246 8.584 5.537 565 1HB GLU 75 1HB GLU 75 -18.405 10.149 5.111 566 2HB GLU 75 2HB GLU 75 -17.465 8.879 4.313 567 1HG GLU 75 1HG GLU 75 -19.257 8.707 2.564 568 2HG GLU 75 2HG GLU 75 -20.139 10.012 3.377 569 H PHE 76 H PHE 76 -17.427 6.484 4.796 570 HA PHE 76 HA PHE 76 -18.843 5.009 2.749 571 1HB PHE 76 1HB PHE 76 -16.841 3.937 2.349 572 2HB PHE 76 2HB PHE 76 -16.403 5.586 2.760 573 HD1 PHE 76 HD1 PHE 76 -16.754 4.718 5.994 574 HD2 PHE 76 HD2 PHE 76 -14.409 3.500 2.580 575 HE1 PHE 76 HE1 PHE 76 -15.252 3.449 7.469 576 HE2 PHE 76 HE2 PHE 76 -12.775 2.435 4.101 577 HZ PHE 76 1HZ PHE 76 -13.219 2.360 6.549 578 H ARG 77 H ARG 77 -18.556 2.498 2.864 579 HA ARG 77 HA ARG 77 -18.617 1.301 5.481 580 1HB ARG 77 1HB ARG 77 -20.994 1.936 5.324 581 2HB ARG 77 2HB ARG 77 -21.149 1.062 3.791 582 1HG ARG 77 1HG ARG 77 -20.607 -1.059 4.912 583 2HG ARG 77 2HG ARG 77 -20.261 -0.198 6.424 584 1HD ARG 77 1HD ARG 77 -22.637 0.535 6.541 585 2HD ARG 77 2HD ARG 77 -22.959 -0.292 5.011 586 HE ARG 77 HE ARG 77 -23.063 -2.302 6.082 587 1HH1 ARG 77 1HH1 ARG 77 -21.501 0.004 8.311 588 2HH1 ARG 77 2HH1 ARG 77 -21.483 -1.134 9.636 589 1HH2 ARG 77 1HH2 ARG 77 -23.012 -3.749 7.834 590 2HH2 ARG 77 2HH2 ARG 77 -22.336 -3.255 9.369 591 H VAL 78 H VAL 78 -17.000 -0.044 5.017 592 HA VAL 78 HA VAL 78 -16.463 -1.199 2.475 593 HB VAL 78 HB VAL 78 -15.516 -1.944 5.270 594 1HG1 VAL 78 1HG1 VAL 78 -14.360 -2.739 2.560 595 2HG1 VAL 78 2HG1 VAL 78 -13.638 -3.052 4.152 596 3HG1 VAL 78 3HG1 VAL 78 -15.148 -3.842 3.713 597 1HG2 VAL 78 1HG2 VAL 78 -14.243 -0.236 3.080 598 2HG2 VAL 78 2HG2 VAL 78 -14.909 0.359 4.617 599 3HG2 VAL 78 3HG2 VAL 78 -13.480 -0.683 4.618 600 H VAL 79 H VAL 79 -17.189 -3.047 1.546 601 HA VAL 79 HA VAL 79 -19.154 -4.722 2.969 602 HB VAL 79 HB VAL 79 -18.281 -5.110 0.097 603 1HG1 VAL 79 1HG1 VAL 79 -19.781 -6.769 1.319 604 2HG1 VAL 79 2HG1 VAL 79 -20.967 -5.471 1.499 605 3HG1 VAL 79 3HG1 VAL 79 -20.510 -6.036 -0.122 606 1HG2 VAL 79 1HG2 VAL 79 -20.328 -3.087 1.100 607 2HG2 VAL 79 2HG2 VAL 79 -18.853 -2.739 0.165 608 3HG2 VAL 79 3HG2 VAL 79 -20.162 -3.663 -0.576 609 H GLU 80 H GLU 80 -16.230 -5.217 0.920 610 HA GLU 80 HA GLU 80 -15.195 -7.248 2.831 611 1HB GLU 80 1HB GLU 80 -15.430 -7.539 -0.201 612 2HB GLU 80 2HB GLU 80 -14.265 -8.431 0.770 613 1HG GLU 80 1HG GLU 80 -16.038 -9.912 0.476 614 2HG GLU 80 2HG GLU 80 -16.104 -9.377 2.158 615 H LEU 81 H LEU 81 -12.976 -7.431 2.863 616 HA LEU 81 HA LEU 81 -11.329 -5.305 1.560 617 1HB LEU 81 1HB LEU 81 -10.675 -7.265 3.803 618 2HB LEU 81 2HB LEU 81 -9.597 -6.017 3.165 619 HG LEU 81 HG LEU 81 -12.252 -5.463 4.577 620 1HD1 LEU 81 1HD1 LEU 81 -10.540 -6.491 6.070 621 2HD1 LEU 81 2HD1 LEU 81 -9.411 -5.192 5.621 622 3HD1 LEU 81 3HD1 LEU 81 -10.904 -4.810 6.497 623 1HD2 LEU 81 1HD2 LEU 81 -9.956 -3.620 3.756 624 2HD2 LEU 81 2HD2 LEU 81 -11.587 -3.631 3.045 625 3HD2 LEU 81 3HD2 LEU 81 -11.363 -3.155 4.732 626 H ASP 82 H ASP 82 -10.226 -5.962 -0.249 627 HA ASP 82 HA ASP 82 -10.431 -8.687 -1.119 628 1HB ASP 82 1HB ASP 82 -8.787 -6.399 -2.239 629 2HB ASP 82 2HB ASP 82 -9.032 -7.967 -3.010 630 HA PRO 83 HA PRO 83 -6.705 -9.949 1.125 631 1HB PRO 83 1HB PRO 83 -6.518 -12.535 0.352 632 2HB PRO 83 2HB PRO 83 -7.873 -11.957 1.366 633 1HG PRO 83 1HG PRO 83 -7.875 -12.306 -1.644 634 2HG PRO 83 2HG PRO 83 -9.057 -12.952 -0.467 635 1HD PRO 83 1HD PRO 83 -9.477 -10.622 -1.813 636 2HD PRO 83 2HD PRO 83 -9.997 -10.807 -0.108 637 H SER 84 H SER 84 -7.075 -9.980 -2.385 638 HA SER 84 HA SER 84 -4.270 -10.605 -2.924 639 1HB SER 84 1HB SER 84 -6.570 -9.791 -4.740 640 2HB SER 84 2HB SER 84 -4.965 -10.349 -5.267 641 HG SER 84 HG SER 84 -5.382 -12.298 -4.137 642 H ALA 85 H ALA 85 -3.764 -8.663 -1.379 643 HA ALA 85 HA ALA 85 -3.675 -6.040 -2.649 644 1HB ALA 85 1HB ALA 85 -3.609 -6.320 -0.183 645 2HB ALA 85 2HB ALA 85 -2.058 -7.173 -0.327 646 3HB ALA 85 3HB ALA 85 -2.182 -5.468 -0.801 647 H LYS 86 H LYS 86 -1.453 -5.055 -3.102 648 HA LYS 86 HA LYS 86 0.289 -7.002 -4.520 649 1HB LYS 86 1HB LYS 86 0.178 -5.690 -6.544 650 2HB LYS 86 2HB LYS 86 -1.394 -6.329 -6.052 651 1HG LYS 86 1HG LYS 86 -1.734 -3.947 -4.954 652 2HG LYS 86 2HG LYS 86 -0.438 -3.458 -6.048 653 1HD LYS 86 1HD LYS 86 -3.114 -4.738 -6.753 654 2HD LYS 86 2HD LYS 86 -2.643 -3.059 -7.039 655 1HE LYS 86 1HE LYS 86 -1.415 -5.510 -8.395 656 2HE LYS 86 2HE LYS 86 -2.582 -4.387 -9.101 657 1HZ LYS 86 1HZ LYS 86 -0.979 -2.643 -8.850 658 2HZ LYS 86 2HZ LYS 86 0.119 -3.690 -8.206 659 3HZ LYS 86 3HZ LYS 86 -0.371 -3.870 -9.769 660 H ILE 87 H ILE 87 2.270 -6.786 -3.975 661 HA ILE 87 HA ILE 87 3.329 -4.362 -2.712 662 HB ILE 87 HB ILE 87 4.768 -6.977 -3.295 663 1HG1 ILE 87 1HG1 ILE 87 2.861 -7.717 -2.103 664 2HG1 ILE 87 2HG1 ILE 87 4.251 -7.695 -1.002 665 1HG2 ILE 87 1HG2 ILE 87 5.213 -4.781 -1.229 666 2HG2 ILE 87 2HG2 ILE 87 6.150 -6.283 -1.368 667 3HG2 ILE 87 3HG2 ILE 87 6.194 -5.088 -2.671 668 1HD1 ILE 87 1HD1 ILE 87 3.415 -5.586 -0.004 669 2HD1 ILE 87 2HD1 ILE 87 2.026 -5.618 -1.120 670 3HD1 ILE 87 3HD1 ILE 87 2.212 -6.891 0.088 671 H GLU 88 H GLU 88 3.385 -2.890 -4.441 672 HA GLU 88 HA GLU 88 4.924 -3.545 -6.889 673 1HB GLU 88 1HB GLU 88 3.366 -1.095 -5.999 674 2HB GLU 88 2HB GLU 88 4.251 -1.236 -7.529 675 1HG GLU 88 1HG GLU 88 2.856 -3.164 -8.179 676 2HG GLU 88 2HG GLU 88 1.970 -3.057 -6.650 677 H VAL 89 H VAL 89 6.835 -3.987 -5.455 678 HA VAL 89 HA VAL 89 8.085 -1.751 -4.138 679 HB VAL 89 HB VAL 89 8.358 -3.900 -3.217 680 1HG1 VAL 89 1HG1 VAL 89 8.366 -5.321 -5.282 681 2HG1 VAL 89 2HG1 VAL 89 10.029 -4.778 -5.597 682 3HG1 VAL 89 3HG1 VAL 89 9.657 -5.688 -4.134 683 1HG2 VAL 89 1HG2 VAL 89 10.104 -2.214 -2.860 684 2HG2 VAL 89 2HG2 VAL 89 10.795 -3.849 -2.869 685 3HG2 VAL 89 3HG2 VAL 89 10.991 -2.797 -4.278 686 H THR 90 H THR 90 8.385 -0.097 -5.476 687 HA THR 90 HA THR 90 9.756 -0.346 -8.033 688 HB THR 90 1HB THR 90 8.960 2.116 -6.425 689 HG1 THR 90 HG1 THR 90 7.186 0.831 -7.020 690 1HG2 THR 90 1HG2 THR 90 9.722 1.735 -9.363 691 2HG2 THR 90 2HG2 THR 90 9.115 3.237 -8.636 692 H TYR 91 H TYR 91 11.868 -0.865 -7.976 693 HA TYR 91 HA TYR 91 13.594 -0.106 -5.751 694 1HB TYR 91 1HB TYR 91 14.263 -1.359 -8.436 695 2HB TYR 91 2HB TYR 91 15.320 -1.270 -7.033 696 HD1 TYR 91 HD1 TYR 91 14.185 -2.285 -4.770 697 HD2 TYR 91 HD2 TYR 91 13.210 -3.410 -8.820 698 HE1 TYR 91 HE1 TYR 91 13.372 -4.483 -3.969 699 HE2 TYR 91 HE2 TYR 91 12.483 -5.633 -8.023 700 HH TYR 91 HH TYR 91 12.472 -6.521 -4.551 701 H TYR 92 H TYR 92 12.960 2.259 -6.082 702 HA TYR 92 HA TYR 92 13.827 3.570 -8.452 703 1HB TYR 92 1HB TYR 92 12.030 4.525 -7.164 704 2HB TYR 92 2HB TYR 92 13.069 4.696 -5.746 705 HD1 TYR 92 HD1 TYR 92 13.054 5.613 -9.408 706 HD2 TYR 92 HD2 TYR 92 14.095 6.803 -5.408 707 HE1 TYR 92 HE1 TYR 92 14.391 7.484 -10.320 708 HE2 TYR 92 HE2 TYR 92 15.501 8.625 -6.314 709 HH TYR 92 HH TYR 92 15.786 9.243 -9.844 710 H ASP 93 H ASP 93 15.717 4.221 -9.047 711 HA ASP 93 HA ASP 93 17.916 4.873 -7.212 712 1HB ASP 93 1HB ASP 93 17.973 2.404 -7.425 713 2HB ASP 93 2HB ASP 93 17.924 2.542 -9.182 714 H LYS 94 H LYS 94 19.787 5.723 -8.535 715 HA LYS 94 HA LYS 94 19.210 6.418 -11.315 716 1HB LYS 94 1HB LYS 94 18.096 8.196 -9.958 717 2HB LYS 94 2HB LYS 94 19.640 8.569 -9.198 718 1HG LYS 94 1HG LYS 94 19.011 10.165 -10.923 719 2HG LYS 94 2HG LYS 94 20.531 9.392 -11.349 720 1HD LYS 94 1HD LYS 94 17.985 8.184 -12.441 721 2HD LYS 94 2HD LYS 94 18.495 9.752 -13.075 722 1HE LYS 94 1HE LYS 94 20.674 8.885 -13.726 723 2HE LYS 94 2HE LYS 94 20.285 7.285 -13.080 724 1HZ LYS 94 1HZ LYS 94 18.870 8.634 -15.256 725 2HZ LYS 94 2HZ LYS 94 19.942 7.391 -15.411 726 3HZ LYS 94 3HZ LYS 94 18.502 7.146 -14.645 727 H ASN 95 H ASN 95 20.919 4.656 -10.920 728 HA ASN 95 HA ASN 95 23.609 5.854 -11.130 729 1HB ASN 95 1HB ASN 95 22.902 3.691 -9.103 730 2HB ASN 95 2HB ASN 95 24.533 4.241 -9.514 731 1HD2 ASN 95 1HD2 ASN 95 22.188 6.406 -6.931 732 2HD2 ASN 95 2HD2 ASN 95 21.560 5.011 -7.780 733 H LYS 96 H LYS 96 21.772 2.748 -10.955 734 HA LYS 96 HA LYS 96 22.777 1.984 -13.586 735 1HB LYS 96 1HB LYS 96 23.903 0.045 -13.015 736 2HB LYS 96 2HB LYS 96 24.594 1.293 -11.994 737 1HG LYS 96 1HG LYS 96 22.582 -0.854 -11.151 738 2HG LYS 96 2HG LYS 96 24.311 -0.901 -10.879 739 1HD LYS 96 1HD LYS 96 22.500 1.220 -9.642 740 2HD LYS 96 2HD LYS 96 22.959 -0.298 -8.885 741 1HE LYS 96 1HE LYS 96 25.352 0.317 -9.036 742 2HE LYS 96 2HE LYS 96 24.907 1.869 -9.770 743 1HZ LYS 96 1HZ LYS 96 23.689 2.377 -7.773 744 2HZ LYS 96 2HZ LYS 96 24.139 0.949 -7.093 745 3HZ LYS 96 3HZ LYS 96 25.277 2.086 -7.445 746 H LYS 97 H LYS 97 20.822 1.088 -10.727 747 HA LYS 97 HA LYS 97 19.430 -1.025 -12.070 748 1HB LYS 97 1HB LYS 97 19.774 -1.127 -9.717 749 2HB LYS 97 2HB LYS 97 19.025 0.441 -9.453 750 1HG LYS 97 1HG LYS 97 17.571 -1.389 -8.733 751 2HG LYS 97 2HG LYS 97 16.832 -0.397 -9.980 752 1HD LYS 97 1HD LYS 97 16.297 -2.699 -10.389 753 2HD LYS 97 2HD LYS 97 17.365 -2.162 -11.685 754 1HE LYS 97 1HE LYS 97 19.284 -3.270 -10.535 755 2HE LYS 97 2HE LYS 97 18.174 -3.797 -9.249 756 1HZ LYS 97 1HZ LYS 97 16.956 -5.016 -10.892 757 2HZ LYS 97 2HZ LYS 97 17.983 -4.523 -12.083 758 3HZ LYS 97 3HZ LYS 97 18.533 -5.496 -10.873 759 H LYS 98 H LYS 98 18.565 2.369 -11.245 760 HA LYS 98 HA LYS 98 17.070 3.797 -12.084 761 1HB LYS 98 1HB LYS 98 17.855 2.894 -14.295 762 2HB LYS 98 2HB LYS 98 16.436 1.833 -14.322 763 1HG LYS 98 1HG LYS 98 14.936 3.753 -14.336 764 2HG LYS 98 2HG LYS 98 16.315 4.867 -14.174 765 1HD LYS 98 1HD LYS 98 17.165 4.102 -16.366 766 2HD LYS 98 2HD LYS 98 15.847 2.913 -16.473 767 1HE LYS 98 1HE LYS 98 14.184 4.768 -16.412 768 2HE LYS 98 2HE LYS 98 15.513 5.943 -16.367 769 1HZ LYS 98 1HZ LYS 98 14.992 4.012 -18.514 770 2HZ LYS 98 2HZ LYS 98 14.666 5.627 -18.564 771 3HZ LYS 98 3HZ LYS 98 16.228 5.104 -18.484 772 H GLU 99 H GLU 99 14.679 4.164 -12.323 773 HA GLU 99 HA GLU 99 13.025 2.947 -10.456 774 1HB GLU 99 1HB GLU 99 12.631 5.095 -11.694 775 2HB GLU 99 2HB GLU 99 12.208 4.149 -13.132 776 1HG GLU 99 1HG GLU 99 10.370 3.045 -11.793 777 2HG GLU 99 2HG GLU 99 10.793 4.093 -10.429 778 H GLU 100 H GLU 100 12.089 0.980 -10.318 779 HA GLU 100 HA GLU 100 11.445 -0.607 -12.727 780 1HB GLU 100 1HB GLU 100 13.833 -1.053 -12.226 781 2HB GLU 100 2HB GLU 100 13.400 -1.545 -10.585 782 1HG GLU 100 1HG GLU 100 12.001 -3.394 -11.543 783 2HG GLU 100 2HG GLU 100 12.454 -2.865 -13.170 784 H THR 101 H THR 101 9.315 -0.235 -12.052 785 HA THR 101 HA THR 101 8.273 -0.914 -9.461 786 HB THR 101 1HB THR 101 6.854 -0.565 -12.122 787 HG1 THR 101 HG1 THR 101 8.061 1.249 -11.461 788 1HG2 THR 101 1HG2 THR 101 5.861 -0.433 -9.235 789 2HG2 THR 101 2HG2 THR 101 4.910 -0.016 -10.673 790 H LYS 102 H LYS 102 8.886 -2.963 -8.864 791 HA LYS 102 HA LYS 102 8.390 -5.255 -10.631 792 1HB LYS 102 1HB LYS 102 10.450 -4.855 -9.186 793 2HB LYS 102 2HB LYS 102 9.464 -5.292 -7.793 794 1HG LYS 102 1HG LYS 102 10.087 -7.008 -10.243 795 2HG LYS 102 2HG LYS 102 10.775 -7.182 -8.624 796 1HD LYS 102 1HD LYS 102 8.460 -7.690 -7.749 797 2HD LYS 102 2HD LYS 102 7.898 -7.703 -9.441 798 1HE LYS 102 1HE LYS 102 9.529 -9.482 -9.976 799 2HE LYS 102 2HE LYS 102 10.049 -9.509 -8.278 800 1HZ LYS 102 1HZ LYS 102 7.340 -10.084 -9.245 801 2HZ LYS 102 2HZ LYS 102 8.450 -11.202 -8.755 802 3HZ LYS 102 3HZ LYS 102 7.833 -10.121 -7.672 803 H SER 103 H SER 103 6.166 -5.420 -10.794 804 HA SER 103 HA SER 103 4.371 -5.261 -8.547 805 1HB SER 103 1HB SER 103 2.684 -6.033 -10.173 806 2HB SER 103 2HB SER 103 3.640 -4.671 -10.785 807 HG SER 103 HG SER 103 4.056 -7.412 -11.393 808 H PHE 104 H PHE 104 3.649 -6.823 -7.234 809 HA PHE 104 HA PHE 104 4.027 -9.679 -7.803 810 1HB PHE 104 1HB PHE 104 6.148 -9.007 -6.762 811 2HB PHE 104 2HB PHE 104 5.291 -8.213 -5.450 812 HD1 PHE 104 HD1 PHE 104 6.152 -11.517 -6.941 813 HD2 PHE 104 HD2 PHE 104 4.460 -9.461 -3.553 814 HE1 PHE 104 HE1 PHE 104 6.029 -13.658 -5.698 815 HE2 PHE 104 HE2 PHE 104 4.230 -11.624 -2.359 816 HZ PHE 104 1HZ PHE 104 5.032 -13.721 -3.421 817 HA PRO 105 HA PRO 105 0.102 -9.264 -5.609 818 1HB PRO 105 1HB PRO 105 -0.786 -11.825 -5.584 819 2HB PRO 105 2HB PRO 105 -0.453 -10.970 -7.099 820 1HG PRO 105 1HG PRO 105 1.477 -12.795 -5.629 821 2HG PRO 105 2HG PRO 105 0.888 -12.967 -7.313 822 1HD PRO 105 1HD PRO 105 3.209 -11.685 -6.766 823 2HD PRO 105 2HD PRO 105 2.108 -11.063 -8.028 824 H ILE 106 H ILE 106 -0.512 -11.728 -3.740 825 HA ILE 106 HA ILE 106 1.544 -11.636 -1.746 826 HB ILE 106 HB ILE 106 0.261 -9.450 -1.391 827 1HG1 ILE 106 1HG1 ILE 106 0.008 -9.587 0.997 828 2HG1 ILE 106 2HG1 ILE 106 0.042 -11.390 0.942 829 1HG2 ILE 106 1HG2 ILE 106 -1.989 -10.357 -1.996 830 2HG2 ILE 106 2HG2 ILE 106 -1.998 -11.279 -0.482 831 3HG2 ILE 106 3HG2 ILE 106 -1.960 -9.514 -0.436 832 1HD1 ILE 106 1HD1 ILE 106 2.334 -9.565 0.011 833 2HD1 ILE 106 2HD1 ILE 106 2.203 -10.230 1.650 834 3HD1 ILE 106 3HD1 ILE 106 2.397 -11.325 0.280 835 H THR 107 H THR 107 1.113 -13.142 0.015 836 HA THR 107 HA THR 107 -1.171 -15.009 -0.407 837 HB THR 107 HB THR 107 0.312 -16.909 0.043 838 HG1 THR 107 HG1 THR 107 2.403 -15.012 -0.158 839 1HG2 THR 107 1HG2 THR 107 -0.130 -16.251 -2.318 840 2HG2 THR 107 2HG2 THR 107 1.357 -15.275 -2.310 841 H GLU 108 H GLU 108 -1.475 -16.435 1.487 842 HA GLU 108 HA GLU 108 -2.109 -14.867 3.700 843 1HB GLU 108 1HB GLU 108 -3.286 -16.928 3.060 844 2HB GLU 108 2HB GLU 108 -1.849 -17.890 3.428 845 1HG GLU 108 1HG GLU 108 -3.432 -18.112 5.228 846 2HG GLU 108 2HG GLU 108 -2.035 -17.229 5.837 847 H LYS 109 H LYS 109 0.515 -17.317 3.364 848 HA LYS 109 HA LYS 109 1.651 -16.671 5.977 849 1HB LYS 109 1HB LYS 109 2.589 -18.495 3.731 850 2HB LYS 109 2HB LYS 109 3.371 -18.322 5.316 851 1HG LYS 109 1HG LYS 109 1.220 -18.977 6.422 852 2HG LYS 109 2HG LYS 109 0.515 -19.282 4.821 853 1HD LYS 109 1HD LYS 109 2.255 -20.990 4.382 854 2HD LYS 109 2HD LYS 109 2.972 -20.671 5.976 855 1HE LYS 109 1HE LYS 109 0.838 -21.340 7.066 856 2HE LYS 109 2HE LYS 109 0.138 -21.687 5.471 857 1HZ LYS 109 1HZ LYS 109 1.828 -23.339 5.164 858 2HZ LYS 109 2HZ LYS 109 2.475 -23.014 6.646 859 3HZ LYS 109 3HZ LYS 109 0.956 -23.646 6.530 860 H GLY 110 H GLY 110 2.296 -15.888 2.563 861 1HA GLY 110 1HA GLY 110 3.562 -14.257 1.600 862 2HA GLY 110 2HA GLY 110 3.304 -13.381 3.105 863 H PHE 111 H PHE 111 5.202 -12.589 3.801 864 HA PHE 111 HA PHE 111 7.568 -14.221 4.209 865 1HB PHE 111 1HB PHE 111 8.995 -12.938 2.663 866 2HB PHE 111 2HB PHE 111 7.775 -13.849 1.791 867 HD1 PHE 111 HD1 PHE 111 5.889 -12.689 0.643 868 HD2 PHE 111 HD2 PHE 111 8.936 -10.478 2.739 869 HE1 PHE 111 HE1 PHE 111 5.071 -10.579 -0.374 870 HE2 PHE 111 HE2 PHE 111 8.142 -8.381 1.688 871 HZ PHE 111 1HZ PHE 111 6.208 -8.427 0.134 872 H VAL 112 H VAL 112 9.096 -13.160 5.516 873 HA VAL 112 HA VAL 112 8.303 -10.653 6.816 874 HB VAL 112 HB VAL 112 10.778 -12.403 7.108 875 1HG1 VAL 112 1HG1 VAL 112 9.806 -10.022 8.752 876 2HG1 VAL 112 2HG1 VAL 112 11.155 -11.088 9.191 877 3HG1 VAL 112 3HG1 VAL 112 11.275 -10.071 7.752 878 1HG2 VAL 112 1HG2 VAL 112 8.310 -12.086 8.876 879 2HG2 VAL 112 2HG2 VAL 112 8.708 -13.520 7.906 880 3HG2 VAL 112 3HG2 VAL 112 9.743 -13.057 9.264 881 H VAL 113 H VAL 113 9.092 -8.650 6.207 882 HA VAL 113 HA VAL 113 9.951 -8.186 3.642 883 HB VAL 113 HB VAL 113 10.300 -6.427 6.083 884 1HG1 VAL 113 1HG1 VAL 113 10.517 -5.744 3.112 885 2HG1 VAL 113 2HG1 VAL 113 10.416 -4.554 4.424 886 3HG1 VAL 113 3HG1 VAL 113 11.820 -5.617 4.313 887 1HG2 VAL 113 1HG2 VAL 113 8.182 -6.523 3.888 888 2HG2 VAL 113 2HG2 VAL 113 7.963 -6.987 5.588 889 3HG2 VAL 113 3HG2 VAL 113 8.282 -5.302 5.174 890 HA PRO 114 HA PRO 114 14.184 -9.625 4.324 891 1HB PRO 114 1HB PRO 114 14.920 -10.131 1.770 892 2HB PRO 114 2HB PRO 114 13.555 -11.010 2.512 893 1HG PRO 114 1HG PRO 114 13.395 -8.522 0.775 894 2HG PRO 114 2HG PRO 114 12.556 -10.083 0.518 895 1HD PRO 114 1HD PRO 114 11.368 -8.002 1.824 896 2HD PRO 114 2HD PRO 114 11.099 -9.702 2.313 897 H ASP 115 H ASP 115 16.400 -9.109 3.052 898 HA ASP 115 HA ASP 115 17.057 -6.345 3.404 899 1HB ASP 115 1HB ASP 115 18.508 -8.573 1.912 900 2HB ASP 115 2HB ASP 115 19.204 -7.004 2.340 901 H LEU 116 H LEU 116 17.402 -4.752 1.883 902 HA LEU 116 HA LEU 116 15.989 -5.042 -0.717 903 1HB LEU 116 1HB LEU 116 16.081 -2.569 -0.722 904 2HB LEU 116 2HB LEU 116 15.088 -3.274 0.542 905 HG LEU 116 HG LEU 116 17.926 -2.640 1.306 906 1HD1 LEU 116 1HD1 LEU 116 17.246 -0.672 -0.050 907 2HD1 LEU 116 2HD1 LEU 116 15.811 -0.479 0.983 908 3HD1 LEU 116 3HD1 LEU 116 17.434 -0.285 1.672 909 1HD2 LEU 116 1HD2 LEU 116 16.258 -3.565 2.978 910 2HD2 LEU 116 2HD2 LEU 116 16.839 -1.953 3.410 911 3HD2 LEU 116 3HD2 LEU 116 15.234 -2.153 2.683 912 H SER 117 H SER 117 18.015 -6.465 -1.044 913 HA SER 117 HA SER 117 19.912 -6.906 -2.112 914 1HB SER 117 1HB SER 117 18.563 -5.930 -3.927 915 2HB SER 117 2HB SER 117 19.304 -4.349 -3.650 916 HG SER 117 HG SER 117 20.323 -5.587 -5.300 917 H GLU 118 H GLU 118 21.298 -4.028 -3.089 918 HA GLU 118 HA GLU 118 22.776 -3.392 -0.651 919 1HB GLU 118 1HB GLU 118 23.833 -5.513 -1.374 920 2HB GLU 118 2HB GLU 118 24.118 -4.836 -2.986 921 1HG GLU 118 1HG GLU 118 25.600 -3.105 -1.997 922 2HG GLU 118 2HG GLU 118 25.254 -3.731 -0.376 923 H HIS 119 H HIS 119 22.695 -3.257 -4.229 924 HA HIS 119 HA HIS 119 24.071 -0.737 -4.413 925 1HB HIS 119 1HB HIS 119 23.626 -0.989 -6.804 926 2HB HIS 119 2HB HIS 119 24.266 -2.463 -6.095 927 HD1 HIS 119 HD1 HIS 119 22.878 -4.622 -6.497 928 HD2 HIS 119 HD2 HIS 119 20.798 -1.041 -7.255 929 HE1 HIS 119 HE1 HIS 119 20.640 -5.274 -7.543 930 H ILE 120 H ILE 120 21.108 -1.119 -3.132 931 HA ILE 120 HA ILE 120 20.216 1.554 -3.969 932 HB ILE 120 HB ILE 120 18.969 0.092 -5.430 933 1HG1 ILE 120 1HG1 ILE 120 17.174 0.930 -3.110 934 2HG1 ILE 120 2HG1 ILE 120 17.845 2.034 -4.329 935 1HG2 ILE 120 1HG2 ILE 120 19.197 -2.034 -4.088 936 2HG2 ILE 120 2HG2 ILE 120 17.944 -1.421 -2.989 937 3HG2 ILE 120 3HG2 ILE 120 17.573 -1.750 -4.690 938 1HD1 ILE 120 1HD1 ILE 120 16.644 0.747 -6.094 939 2HD1 ILE 120 2HD1 ILE 120 15.912 -0.265 -4.821 940 3HD1 ILE 120 3HD1 ILE 120 15.561 1.462 -4.878 941 H LYS 121 H LYS 121 19.292 2.692 -2.323 942 HA LYS 121 HA LYS 121 18.507 1.339 0.163 943 1HB LYS 121 1HB LYS 121 19.817 2.880 1.581 944 2HB LYS 121 2HB LYS 121 20.760 1.737 0.652 945 1HG LYS 121 1HG LYS 121 21.955 3.759 0.625 946 2HG LYS 121 2HG LYS 121 21.351 3.478 -1.002 947 1HD LYS 121 1HD LYS 121 21.207 5.809 -0.476 948 2HD LYS 121 2HD LYS 121 19.562 5.191 -0.602 949 1HE LYS 121 1HE LYS 121 19.532 5.096 1.959 950 2HE LYS 121 2HE LYS 121 21.158 5.794 1.936 951 1HZ LYS 121 1HZ LYS 121 20.248 7.689 0.806 952 2HZ LYS 121 2HZ LYS 121 18.740 7.028 0.823 953 3HZ LYS 121 3HZ LYS 121 19.473 7.442 2.240 954 H ASN 122 H ASN 122 17.102 2.634 -2.075 955 HA ASN 122 HA ASN 122 15.328 4.227 -0.405 956 1HB ASN 122 1HB ASN 122 15.316 6.184 -1.782 957 2HB ASN 122 2HB ASN 122 16.952 5.907 -1.199 958 1HD2 ASN 122 1HD2 ASN 122 18.085 4.830 -4.595 959 2HD2 ASN 122 2HD2 ASN 122 18.155 4.182 -2.976 960 HA PRO 123 HA PRO 123 13.282 1.691 -3.750 961 1HB PRO 123 1HB PRO 123 12.112 0.155 -1.462 962 2HB PRO 123 2HB PRO 123 12.743 -0.455 -3.018 963 1HG PRO 123 1HG PRO 123 14.158 -0.778 -0.734 964 2HG PRO 123 2HG PRO 123 14.998 -0.259 -2.226 965 1HD PRO 123 1HD PRO 123 13.931 1.532 -0.009 966 2HD PRO 123 2HD PRO 123 15.584 1.407 -0.642 967 H GLY 124 H GLY 124 10.731 0.874 -3.371 968 1HA GLY 124 1HA GLY 124 9.106 2.905 -1.985 969 2HA GLY 124 2HA GLY 124 9.026 2.849 -3.761 970 H PHE 125 H PHE 125 8.736 0.847 -0.828 971 HA PHE 125 HA PHE 125 7.418 -1.422 -2.057 972 1HB PHE 125 1HB PHE 125 7.834 -0.476 0.783 973 2HB PHE 125 2HB PHE 125 6.994 -1.977 0.377 974 HD1 PHE 125 HD1 PHE 125 10.259 -0.237 0.461 975 HD2 PHE 125 HD2 PHE 125 8.214 -3.940 -0.380 976 HE1 PHE 125 HE1 PHE 125 12.392 -1.475 0.699 977 HE2 PHE 125 HE2 PHE 125 10.360 -5.166 -0.178 978 HZ PHE 125 1HZ PHE 125 12.453 -3.936 0.359 979 H ASN 126 H ASN 126 5.774 -0.163 -3.271 980 HA ASN 126 HA ASN 126 3.909 1.470 -1.761 981 1HB ASN 126 1HB ASN 126 3.971 0.733 -4.699 982 2HB ASN 126 2HB ASN 126 3.005 2.015 -3.951 983 1HD2 ASN 126 1HD2 ASN 126 6.289 3.315 -5.450 984 2HD2 ASN 126 2HD2 ASN 126 5.065 2.229 -6.073 985 H LEU 127 H LEU 127 2.563 0.376 -0.481 986 HA LEU 127 HA LEU 127 1.064 -1.999 -1.349 987 1HB LEU 127 1HB LEU 127 1.367 -0.368 1.179 988 2HB LEU 127 2HB LEU 127 -0.090 -1.334 0.980 989 HG LEU 127 HG LEU 127 1.685 -2.414 2.288 990 1HD1 LEU 127 1HD1 LEU 127 -0.125 -3.675 1.199 991 2HD1 LEU 127 2HD1 LEU 127 0.871 -3.898 -0.243 992 3HD1 LEU 127 3HD1 LEU 127 1.367 -4.621 1.302 993 1HD2 LEU 127 1HD2 LEU 127 3.656 -1.663 1.018 994 2HD2 LEU 127 2HD2 LEU 127 3.621 -3.418 1.239 995 3HD2 LEU 127 3HD2 LEU 127 3.195 -2.723 -0.337 996 H ILE 128 H ILE 128 0.126 -1.032 -3.238 997 HA ILE 128 HA ILE 128 -2.008 0.982 -2.770 998 HB ILE 128 HB ILE 128 -1.060 -0.216 -5.392 999 1HG1 ILE 128 1HG1 ILE 128 -0.188 2.305 -3.915 1000 2HG1 ILE 128 2HG1 ILE 128 0.801 0.906 -4.400 1001 1HG2 ILE 128 1HG2 ILE 128 -3.392 0.791 -5.296 1002 2HG2 ILE 128 2HG2 ILE 128 -2.656 2.315 -4.774 1003 3HG2 ILE 128 3HG2 ILE 128 -2.300 1.641 -6.381 1004 1HD1 ILE 128 1HD1 ILE 128 0.342 1.507 -6.809 1005 2HD1 ILE 128 2HD1 ILE 128 -0.457 2.993 -6.238 1006 3HD1 ILE 128 3HD1 ILE 128 1.261 2.729 -5.909 1007 H THR 129 H THR 129 -3.075 -0.562 -1.374 1008 HA THR 129 HA THR 129 -4.119 -3.057 -2.392 1009 HB THR 129 1HB THR 129 -4.733 -1.446 0.124 1010 HG1 THR 129 HG1 THR 129 -2.572 -2.050 -0.078 1011 1HG2 THR 129 1HG2 THR 129 -5.278 -3.740 1.072 1012 2HG2 THR 129 2HG2 THR 129 -6.487 -3.100 -0.038 1013 H LYS 130 H LYS 130 -6.615 -3.403 -2.124 1014 HA LYS 130 HA LYS 130 -8.218 -1.143 -3.173 1015 1HB LYS 130 1HB LYS 130 -7.159 -2.435 -5.036 1016 2HB LYS 130 2HB LYS 130 -8.000 -3.886 -4.507 1017 1HG LYS 130 1HG LYS 130 -9.478 -1.306 -5.180 1018 2HG LYS 130 2HG LYS 130 -8.913 -2.371 -6.460 1019 1HD LYS 130 1HD LYS 130 -10.866 -3.245 -4.287 1020 2HD LYS 130 2HD LYS 130 -11.274 -2.694 -5.909 1021 1HE LYS 130 1HE LYS 130 -9.933 -4.545 -6.887 1022 2HE LYS 130 2HE LYS 130 -9.677 -5.190 -5.254 1023 1HZ LYS 130 1HZ LYS 130 -12.274 -4.774 -6.545 1024 2HZ LYS 130 2HZ LYS 130 -11.515 -6.222 -6.329 1025 3HZ LYS 130 3HZ LYS 130 -12.040 -5.362 -5.023 1026 H VAL 131 H VAL 131 -10.337 -1.217 -2.460 1027 HA VAL 131 HA VAL 131 -11.297 -3.634 -1.020 1028 HB VAL 131 HB VAL 131 -12.107 -2.293 0.830 1029 1HG1 VAL 131 1HG1 VAL 131 -9.901 -3.404 0.995 1030 2HG1 VAL 131 2HG1 VAL 131 -9.110 -1.917 0.438 1031 3HG1 VAL 131 3HG1 VAL 131 -9.996 -1.929 1.972 1032 1HG2 VAL 131 1HG2 VAL 131 -10.602 0.044 -0.424 1033 2HG2 VAL 131 2HG2 VAL 131 -12.357 -0.095 -0.219 1034 3HG2 VAL 131 3HG2 VAL 131 -11.317 0.017 1.203 1035 H VAL 132 H VAL 132 -13.509 -3.857 -0.872 1036 HA VAL 132 HA VAL 132 -15.079 -2.431 -2.932 1037 HB VAL 132 HB VAL 132 -15.690 -4.922 -1.280 1038 1HG1 VAL 132 1HG1 VAL 132 -17.120 -3.594 -3.615 1039 2HG1 VAL 132 2HG1 VAL 132 -17.509 -5.215 -2.995 1040 3HG1 VAL 132 3HG1 VAL 132 -17.758 -3.794 -1.972 1041 1HG2 VAL 132 1HG2 VAL 132 -14.782 -4.589 -4.177 1042 2HG2 VAL 132 2HG2 VAL 132 -13.847 -5.332 -2.863 1043 3HG2 VAL 132 3HG2 VAL 132 -15.322 -6.111 -3.438 1044 H ILE 133 H ILE 133 -16.674 -1.032 -2.413 1045 HA ILE 133 HA ILE 133 -17.491 -0.618 0.425 1046 HB ILE 133 HB ILE 133 -16.415 1.386 -1.582 1047 1HG1 ILE 133 1HG1 ILE 133 -15.592 0.981 1.319 1048 2HG1 ILE 133 2HG1 ILE 133 -14.867 0.073 -0.029 1049 1HG2 ILE 133 1HG2 ILE 133 -17.886 1.972 1.016 1050 2HG2 ILE 133 2HG2 ILE 133 -16.993 3.177 0.068 1051 3HG2 ILE 133 3HG2 ILE 133 -18.407 2.426 -0.622 1052 1HD1 ILE 133 1HD1 ILE 133 -14.246 2.243 -1.112 1053 2HD1 ILE 133 2HD1 ILE 133 -14.841 3.128 0.303 1054 3HD1 ILE 133 3HD1 ILE 133 -13.472 2.024 0.473 1055 H GLU 134 H GLU 134 -19.520 0.218 0.708 1056 HA GLU 134 HA GLU 134 -21.176 0.926 -1.666 1057 1HB GLU 134 1HB GLU 134 -21.979 -0.609 0.836 1058 2HB GLU 134 2HB GLU 134 -23.154 0.280 -0.144 1059 1HG GLU 134 1HG GLU 134 -21.323 -1.873 -1.266 1060 2HG GLU 134 2HG GLU 134 -22.969 -2.171 -0.692 1061 H LYS 135 H LYS 135 -21.236 3.054 -1.646 1062 HA LYS 135 HA LYS 135 -20.663 4.659 0.639 1063 1HB LYS 135 1HB LYS 135 -21.095 6.545 -0.811 1064 2HB LYS 135 2HB LYS 135 -20.109 5.335 -1.597 1065 1HG LYS 135 1HG LYS 135 -21.503 5.908 -3.324 1066 2HG LYS 135 2HG LYS 135 -22.280 4.465 -2.701 1067 1HD LYS 135 1HD LYS 135 -24.022 5.883 -3.152 1068 2HD LYS 135 2HD LYS 135 -23.876 6.103 -1.417 1069 1HE LYS 135 1HE LYS 135 -22.684 7.971 -3.531 1070 2HE LYS 135 2HE LYS 135 -24.268 8.180 -2.772 1071 1HZ LYS 135 1HZ LYS 135 -23.152 8.293 -0.646 1072 2HZ LYS 135 2HZ LYS 135 -21.688 8.272 -1.407 1073 3HZ LYS 135 3HZ LYS 135 -22.730 9.513 -1.670 1074 H LYS 136 H LYS 136 -22.087 6.468 1.361 1075 HA LYS 136 HA LYS 136 -24.980 5.767 1.561 1076 1HB LYS 136 1HB LYS 136 -23.140 6.517 3.864 1077 2HB LYS 136 2HB LYS 136 -24.898 6.320 3.961 1078 1HG LYS 136 1HG LYS 136 -24.661 3.940 3.258 1079 2HG LYS 136 2HG LYS 136 -22.898 4.108 3.282 1080 1HD LYS 136 1HD LYS 136 -24.732 4.512 5.685 1081 2HD LYS 136 2HD LYS 136 -23.801 3.048 5.319 1082 1HE LYS 136 1HE LYS 136 -21.697 4.429 5.386 1083 2HE LYS 136 2HE LYS 136 -22.659 5.802 5.970 1084 1HZ LYS 136 1HZ LYS 136 -22.410 3.204 7.295 1085 2HZ LYS 136 2HZ LYS 136 -21.668 4.604 7.748 1086 3HZ LYS 136 3HZ LYS 136 -23.310 4.478 7.831 No H/Q in entry = 1086 Start of MODEL 9 1 H SER 1 H SER 1 -13.975 12.688 7.506 2 HA SER 1 HA SER 1 -14.013 11.935 9.817 3 1HB SER 1 1HB SER 1 -15.737 12.746 11.349 4 2HB SER 1 2HB SER 1 -14.853 14.108 10.644 5 HG SER 1 HG SER 1 -16.581 14.322 9.141 6 H SER 2 H SER 2 -15.197 11.164 7.099 7 HA SER 2 HA SER 2 -16.944 9.014 8.019 8 1HB SER 2 1HB SER 2 -18.850 9.721 6.583 9 2HB SER 2 2HB SER 2 -18.538 10.897 7.872 10 HG SER 2 HG SER 2 -17.372 12.127 6.323 11 H SER 3 H SER 3 -15.071 10.575 5.457 12 HA SER 3 HA SER 3 -15.010 8.048 3.933 13 1HB SER 3 1HB SER 3 -15.739 9.263 1.858 14 2HB SER 3 2HB SER 3 -17.013 9.049 3.067 15 HG SER 3 HG SER 3 -16.637 11.198 3.727 16 H PHE 4 H PHE 4 -14.197 11.511 3.344 17 HA PHE 4 HA PHE 4 -11.349 10.880 2.935 18 1HB PHE 4 1HB PHE 4 -12.120 10.001 0.896 19 2HB PHE 4 2HB PHE 4 -13.399 11.202 0.745 20 HD1 PHE 4 HD1 PHE 4 -9.638 10.998 0.854 21 HD2 PHE 4 HD2 PHE 4 -13.114 13.027 -0.691 22 HE1 PHE 4 HE1 PHE 4 -8.179 12.558 -0.400 23 HE2 PHE 4 HE2 PHE 4 -11.651 14.582 -1.942 24 HZ PHE 4 1HZ PHE 4 -9.188 14.354 -1.801 25 H ASP 5 H ASP 5 -10.066 12.686 2.788 26 HA ASP 5 HA ASP 5 -11.154 15.369 2.577 27 1HB ASP 5 1HB ASP 5 -11.636 14.612 4.978 28 2HB ASP 5 2HB ASP 5 -9.894 14.485 5.215 29 H LYS 6 H LYS 6 -9.346 16.968 3.048 30 HA LYS 6 HA LYS 6 -7.449 17.922 2.567 31 1HB LYS 6 1HB LYS 6 -5.585 17.257 3.825 32 2HB LYS 6 2HB LYS 6 -7.039 16.883 4.741 33 1HG LYS 6 1HG LYS 6 -6.757 14.450 4.135 34 2HG LYS 6 2HG LYS 6 -5.321 14.878 3.201 35 1HD LYS 6 1HD LYS 6 -4.237 14.350 5.098 36 2HD LYS 6 2HD LYS 6 -4.649 15.994 5.597 37 1HE LYS 6 1HE LYS 6 -6.143 13.412 6.259 38 2HE LYS 6 2HE LYS 6 -5.168 14.389 7.368 39 1HZ LYS 6 1HZ LYS 6 -6.747 16.162 7.096 40 2HZ LYS 6 2HZ LYS 6 -7.663 15.239 6.082 41 3HZ LYS 6 3HZ LYS 6 -7.483 14.797 7.658 42 H GLY 7 H GLY 7 -8.319 16.195 0.287 43 1HA GLY 7 1HA GLY 7 -7.498 15.824 -1.831 44 2HA GLY 7 2HA GLY 7 -6.058 16.730 -1.363 45 H LYS 8 H LYS 8 -5.019 15.076 -2.810 46 HA LYS 8 HA LYS 8 -4.409 12.496 -1.450 47 1HB LYS 8 1HB LYS 8 -3.544 13.524 -4.181 48 2HB LYS 8 2HB LYS 8 -3.243 11.926 -3.476 49 1HG LYS 8 1HG LYS 8 -5.830 11.728 -3.295 50 2HG LYS 8 2HG LYS 8 -5.886 13.111 -4.393 51 1HD LYS 8 1HD LYS 8 -4.573 11.883 -6.075 52 2HD LYS 8 2HD LYS 8 -4.367 10.517 -4.959 53 1HE LYS 8 1HE LYS 8 -6.795 10.147 -4.923 54 2HE LYS 8 2HE LYS 8 -7.033 11.492 -6.062 55 1HZ LYS 8 1HZ LYS 8 -5.512 9.033 -6.573 56 2HZ LYS 8 2HZ LYS 8 -7.015 9.381 -7.152 57 3HZ LYS 8 3HZ LYS 8 -5.718 10.274 -7.641 58 H TYR 9 H TYR 9 -3.630 14.367 0.194 59 HA TYR 9 HA TYR 9 -0.963 15.431 -0.381 60 1HB TYR 9 1HB TYR 9 -2.519 16.824 0.791 61 2HB TYR 9 2HB TYR 9 -2.874 15.555 1.963 62 HD1 TYR 9 HD1 TYR 9 0.274 17.221 0.662 63 HD2 TYR 9 HD2 TYR 9 -2.038 15.997 4.095 64 HE1 TYR 9 HE1 TYR 9 2.043 18.079 2.165 65 HE2 TYR 9 HE2 TYR 9 -0.273 16.869 5.592 66 HH TYR 9 HH TYR 9 2.706 18.421 4.343 67 H LYS 10 H LYS 10 0.293 13.566 -0.632 68 HA LYS 10 HA LYS 10 0.258 11.377 1.223 69 1HB LYS 10 1HB LYS 10 1.926 10.409 -0.238 70 2HB LYS 10 2HB LYS 10 0.591 11.111 -1.154 71 1HG LYS 10 1HG LYS 10 2.111 13.207 -1.437 72 2HG LYS 10 2HG LYS 10 3.436 12.173 -0.907 73 1HD LYS 10 1HD LYS 10 1.582 11.682 -3.275 74 2HD LYS 10 2HD LYS 10 3.222 12.332 -3.370 75 1HE LYS 10 1HE LYS 10 2.518 9.544 -2.354 76 2HE LYS 10 2HE LYS 10 3.105 9.938 -3.974 77 1HZ LYS 10 1HZ LYS 10 5.105 10.785 -2.999 78 2HZ LYS 10 2HZ LYS 10 4.577 10.406 -1.484 79 3HZ LYS 10 3HZ LYS 10 4.870 9.209 -2.576 80 H LYS 11 H LYS 11 0.764 13.539 2.790 81 HA LYS 11 HA LYS 11 1.862 14.142 4.547 82 1HB LYS 11 1HB LYS 11 2.204 11.738 4.918 83 2HB LYS 11 2HB LYS 11 3.731 11.793 4.043 84 1HG LYS 11 1HG LYS 11 4.180 11.764 6.355 85 2HG LYS 11 2HG LYS 11 4.676 13.339 5.746 86 1HD LYS 11 1HD LYS 11 1.895 13.073 6.912 87 2HD LYS 11 2HD LYS 11 3.270 12.962 8.015 88 1HE LYS 11 1HE LYS 11 4.120 15.148 7.264 89 2HE LYS 11 2HE LYS 11 2.724 15.338 6.191 90 1HZ LYS 11 1HZ LYS 11 2.605 15.051 9.095 91 2HZ LYS 11 2HZ LYS 11 2.394 16.445 8.239 92 3HZ LYS 11 3HZ LYS 11 1.308 15.213 8.088 93 H GLY 12 H GLY 12 4.673 13.065 2.597 94 1HA GLY 12 1HA GLY 12 5.653 15.615 1.823 95 2HA GLY 12 2HA GLY 12 6.358 15.178 3.398 96 H ASP 13 H ASP 13 6.403 12.371 3.073 97 HA ASP 13 HA ASP 13 8.786 11.698 1.800 98 1HB ASP 13 1HB ASP 13 6.270 10.054 2.305 99 2HB ASP 13 2HB ASP 13 7.853 9.381 1.887 100 H ASP 14 H ASP 14 9.310 11.791 -0.317 101 HA ASP 14 HA ASP 14 7.724 10.648 -2.407 102 1HB ASP 14 1HB ASP 14 6.428 12.769 -2.143 103 2HB ASP 14 2HB ASP 14 7.919 13.697 -2.332 104 H ALA 15 H ALA 15 9.099 10.065 -4.009 105 HA ALA 15 HA ALA 15 11.318 11.648 -4.887 106 1HB ALA 15 1HB ALA 15 11.929 9.147 -3.261 107 2HB ALA 15 2HB ALA 15 13.092 9.933 -4.349 108 3HB ALA 15 3HB ALA 15 12.484 10.794 -2.926 109 H SER 16 H SER 16 12.175 10.882 -6.843 110 HA SER 16 HA SER 16 11.327 8.359 -8.021 111 1HB SER 16 1HB SER 16 9.250 9.699 -8.251 112 2HB SER 16 2HB SER 16 10.163 10.983 -9.064 113 HG SER 16 HG SER 16 9.157 9.561 -10.532 114 H TYR 17 H TYR 17 13.111 7.780 -9.054 115 HA TYR 17 HA TYR 17 15.042 7.725 -10.145 116 1HB TYR 17 1HB TYR 17 13.936 10.165 -11.586 117 2HB TYR 17 2HB TYR 17 15.364 9.281 -12.081 118 HD1 TYR 17 HD1 TYR 17 15.248 6.892 -12.788 119 HD2 TYR 17 HD2 TYR 17 11.726 9.291 -12.134 120 HE1 TYR 17 HE1 TYR 17 13.928 5.337 -14.194 121 HE2 TYR 17 HE2 TYR 17 10.393 7.699 -13.487 122 HH TYR 17 HH TYR 17 10.421 5.792 -14.778 123 H PHE 18 H PHE 18 17.062 8.941 -10.823 124 HA PHE 18 HA PHE 18 18.938 9.969 -10.285 125 1HB PHE 18 1HB PHE 18 17.593 11.921 -10.927 126 2HB PHE 18 2HB PHE 18 17.160 12.199 -9.244 127 HD1 PHE 18 HD1 PHE 18 20.003 12.084 -11.667 128 HD2 PHE 18 HD2 PHE 18 18.711 13.327 -7.742 129 HE1 PHE 18 HE1 PHE 18 22.103 13.375 -11.374 130 HE2 PHE 18 HE2 PHE 18 20.833 14.567 -7.441 131 HZ PHE 18 1HZ PHE 18 22.531 14.594 -9.255 132 H GLU 19 H GLU 19 19.666 8.465 -8.839 133 HA GLU 19 HA GLU 19 20.901 7.932 -7.106 134 1HB GLU 19 1HB GLU 19 20.373 10.777 -6.135 135 2HB GLU 19 2HB GLU 19 21.648 9.718 -5.551 136 1HG GLU 19 1HG GLU 19 22.611 9.578 -7.830 137 2HG GLU 19 2HG GLU 19 21.371 10.689 -8.432 138 HA PRO 20 HA PRO 20 18.321 6.548 -3.694 139 1HB PRO 20 1HB PRO 20 20.158 6.053 -1.745 140 2HB PRO 20 2HB PRO 20 19.921 5.010 -3.182 141 1HG PRO 20 1HG PRO 20 22.007 7.169 -2.787 142 2HG PRO 20 2HG PRO 20 22.249 5.501 -3.388 143 1HD PRO 20 1HD PRO 20 22.033 7.580 -5.088 144 2HD PRO 20 2HD PRO 20 21.251 6.026 -5.480 145 H THR 21 H THR 21 17.120 8.376 -3.246 146 HA THR 21 HA THR 21 18.319 10.584 -1.658 147 HB THR 21 HB THR 21 16.204 11.772 -2.411 148 HG1 THR 21 HG1 THR 21 15.243 10.869 -4.267 149 1HG2 THR 21 1HG2 THR 21 17.120 12.240 -4.663 150 2HG2 THR 21 2HG2 THR 21 18.379 12.243 -3.414 151 H GLY 22 H GLY 22 15.184 8.747 -1.805 152 1HA GLY 22 1HA GLY 22 15.024 8.744 1.132 153 2HA GLY 22 2HA GLY 22 13.948 9.860 0.307 154 HA PRO 23 HA PRO 23 12.331 5.431 -0.603 155 1HB PRO 23 1HB PRO 23 12.547 3.603 1.379 156 2HB PRO 23 2HB PRO 23 13.919 3.960 0.303 157 1HG PRO 23 1HG PRO 23 13.447 5.141 3.044 158 2HG PRO 23 2HG PRO 23 14.923 4.331 2.442 159 1HD PRO 23 1HD PRO 23 14.586 7.035 2.411 160 2HD PRO 23 2HD PRO 23 15.487 6.204 1.104 161 H TYR 24 H TYR 24 10.308 4.332 0.311 162 HA TYR 24 HA TYR 24 9.080 5.452 2.663 163 1HB TYR 24 1HB TYR 24 7.208 6.592 1.453 164 2HB TYR 24 2HB TYR 24 8.761 7.390 1.343 165 HD1 TYR 24 HD1 TYR 24 6.389 5.218 -0.583 166 HD2 TYR 24 HD2 TYR 24 9.766 7.901 -0.741 167 HE1 TYR 24 HE1 TYR 24 6.266 5.236 -3.058 168 HE2 TYR 24 HE2 TYR 24 9.622 7.936 -3.205 169 HH TYR 24 HH TYR 24 8.576 7.104 -5.074 170 H LEU 25 H LEU 25 6.746 4.937 2.809 171 HA LEU 25 HA LEU 25 5.994 2.300 1.653 172 1HB LEU 25 1HB LEU 25 7.129 1.930 3.802 173 2HB LEU 25 2HB LEU 25 6.112 3.144 4.570 174 HG LEU 25 HG LEU 25 4.147 1.492 3.682 175 1HD1 LEU 25 1HD1 LEU 25 5.749 -0.075 2.607 176 2HD1 LEU 25 2HD1 LEU 25 6.468 -0.400 4.198 177 3HD1 LEU 25 3HD1 LEU 25 4.782 -0.832 3.888 178 1HD2 LEU 25 1HD2 LEU 25 5.832 1.052 6.179 179 2HD2 LEU 25 2HD2 LEU 25 4.473 2.186 6.011 180 3HD2 LEU 25 3HD2 LEU 25 4.185 0.440 5.913 181 H MET 26 H MET 26 4.345 3.295 0.382 182 HA MET 26 HA MET 26 2.463 5.139 1.679 183 1HB MET 26 1HB MET 26 3.328 5.565 -0.578 184 2HB MET 26 2HB MET 26 2.498 4.118 -1.174 185 1HG MET 26 1HG MET 26 0.336 5.060 -0.654 186 2HG MET 26 2HG MET 26 1.049 6.330 0.340 187 1HE MET 26 1HE MET 26 0.736 5.002 -3.358 188 2HE MET 26 2HE MET 26 1.410 6.370 -4.270 189 3HE MET 26 3HE MET 26 2.475 5.381 -3.250 190 H VAL 27 H VAL 27 1.102 4.216 3.048 191 HA VAL 27 HA VAL 27 -0.178 1.609 2.437 192 HB VAL 27 HB VAL 27 -0.080 3.207 5.025 193 1HG1 VAL 27 1HG1 VAL 27 -2.023 1.646 4.856 194 2HG1 VAL 27 2HG1 VAL 27 -0.907 0.323 4.456 195 3HG1 VAL 27 3HG1 VAL 27 -0.842 1.099 6.050 196 1HG2 VAL 27 1HG2 VAL 27 1.585 0.833 4.084 197 2HG2 VAL 27 2HG2 VAL 27 2.170 2.475 4.450 198 3HG2 VAL 27 3HG2 VAL 27 1.540 1.461 5.745 199 H ASN 28 H ASN 28 -1.790 2.126 1.011 200 HA ASN 28 HA ASN 28 -4.185 3.279 2.119 201 1HB ASN 28 1HB ASN 28 -2.432 5.013 0.567 202 2HB ASN 28 2HB ASN 28 -3.868 4.690 -0.389 203 1HD2 ASN 28 1HD2 ASN 28 -6.129 6.244 2.039 204 2HD2 ASN 28 2HD2 ASN 28 -6.025 4.803 1.052 205 H VAL 29 H VAL 29 -5.975 3.198 0.361 206 HA VAL 29 HA VAL 29 -5.508 1.075 -1.650 207 HB VAL 29 HB VAL 29 -7.672 0.008 -0.861 208 1HG1 VAL 29 1HG1 VAL 29 -5.424 -1.014 -0.577 209 2HG1 VAL 29 2HG1 VAL 29 -5.299 -0.249 1.016 210 3HG1 VAL 29 3HG1 VAL 29 -6.561 -1.460 0.703 211 1HG2 VAL 29 1HG2 VAL 29 -8.463 1.748 0.696 212 2HG2 VAL 29 2HG2 VAL 29 -8.276 0.182 1.498 213 3HG2 VAL 29 3HG2 VAL 29 -7.066 1.448 1.755 214 H THR 30 H THR 30 -6.711 1.228 -3.436 215 HA THR 30 HA THR 30 -8.061 3.721 -3.974 216 HB THR 30 HB THR 30 -7.868 1.198 -5.671 217 HG1 THR 30 HG1 THR 30 -6.197 3.480 -5.515 218 1HG2 THR 30 1HG2 THR 30 -8.180 2.772 -7.548 219 2HG2 THR 30 2HG2 THR 30 -9.569 2.866 -6.451 220 H GLY 31 H GLY 31 -9.938 4.015 -2.898 221 1HA GLY 31 1HA GLY 31 -11.699 1.805 -2.205 222 2HA GLY 31 2HA GLY 31 -11.816 3.505 -1.736 223 H VAL 32 H VAL 32 -12.406 1.218 -4.415 224 HA VAL 32 HA VAL 32 -14.193 3.097 -5.787 225 HB VAL 32 HB VAL 32 -14.441 1.402 -7.461 226 1HG1 VAL 32 1HG1 VAL 32 -12.407 2.836 -7.502 227 2HG1 VAL 32 2HG1 VAL 32 -11.517 1.572 -6.623 228 3HG1 VAL 32 3HG1 VAL 32 -12.133 1.253 -8.249 229 1HG2 VAL 32 1HG2 VAL 32 -12.799 -0.440 -5.682 230 2HG2 VAL 32 2HG2 VAL 32 -14.511 -0.646 -6.104 231 3HG2 VAL 32 3HG2 VAL 32 -13.273 -0.763 -7.359 232 H ASP 33 H ASP 33 -16.416 2.559 -6.286 233 HA ASP 33 HA ASP 33 -17.873 1.575 -3.978 234 1HB ASP 33 1HB ASP 33 -18.735 3.449 -5.305 235 2HB ASP 33 2HB ASP 33 -18.792 2.451 -6.752 236 H SER 34 H SER 34 -18.037 0.642 -7.439 237 HA SER 34 HA SER 34 -17.930 -2.232 -6.883 238 1HB SER 34 1HB SER 34 -20.473 -0.866 -7.896 239 2HB SER 34 2HB SER 34 -20.160 -2.611 -7.955 240 HG SER 34 HG SER 34 -20.309 -0.998 -5.633 241 H LYS 35 H LYS 35 -18.978 0.227 -9.297 242 HA LYS 35 HA LYS 35 -17.836 -1.349 -11.512 243 1HB LYS 35 1HB LYS 35 -19.532 1.162 -11.333 244 2HB LYS 35 2HB LYS 35 -19.011 0.471 -12.869 245 1HG LYS 35 1HG LYS 35 -20.405 -1.434 -11.018 246 2HG LYS 35 2HG LYS 35 -21.367 -0.095 -11.647 247 1HD LYS 35 1HD LYS 35 -21.596 -2.024 -13.086 248 2HD LYS 35 2HD LYS 35 -20.822 -0.690 -13.954 249 1HE LYS 35 1HE LYS 35 -18.615 -1.771 -13.684 250 2HE LYS 35 2HE LYS 35 -19.357 -3.070 -12.722 251 1HZ LYS 35 1HZ LYS 35 -20.637 -3.654 -14.646 252 2HZ LYS 35 2HZ LYS 35 -19.948 -2.440 -15.525 253 3HZ LYS 35 3HZ LYS 35 -19.024 -3.696 -14.988 254 H GLY 36 H GLY 36 -15.842 -0.387 -9.755 255 1HA GLY 36 1HA GLY 36 -13.843 0.666 -9.770 256 2HA GLY 36 2HA GLY 36 -14.021 0.827 -11.521 257 H ASN 37 H ASN 37 -16.166 2.262 -9.044 258 HA ASN 37 HA ASN 37 -15.608 4.988 -10.123 259 1HB ASN 37 1HB ASN 37 -17.925 3.842 -8.522 260 2HB ASN 37 2HB ASN 37 -17.774 5.524 -9.056 261 1HD2 ASN 37 1HD2 ASN 37 -19.968 3.614 -11.445 262 2HD2 ASN 37 2HD2 ASN 37 -19.979 3.886 -9.717 263 H GLU 38 H GLU 38 -13.796 5.606 -8.993 264 HA GLU 38 HA GLU 38 -13.134 5.004 -6.351 265 1HB GLU 38 1HB GLU 38 -11.583 5.818 -8.064 266 2HB GLU 38 2HB GLU 38 -12.320 7.427 -7.990 267 1HG GLU 38 1HG GLU 38 -11.677 7.580 -5.573 268 2HG GLU 38 2HG GLU 38 -10.961 5.963 -5.678 269 H LEU 39 H LEU 39 -14.610 5.325 -4.754 270 HA LEU 39 HA LEU 39 -16.051 7.829 -4.336 271 1HB LEU 39 1HB LEU 39 -15.524 5.444 -2.504 272 2HB LEU 39 2HB LEU 39 -16.615 6.787 -2.156 273 HG LEU 39 HG LEU 39 -16.935 4.817 -4.467 274 1HD1 LEU 39 1HD1 LEU 39 -18.194 4.992 -1.710 275 2HD1 LEU 39 2HD1 LEU 39 -18.815 3.951 -3.006 276 3HD1 LEU 39 3HD1 LEU 39 -17.189 3.683 -2.353 277 1HD2 LEU 39 1HD2 LEU 39 -18.785 6.987 -3.368 278 2HD2 LEU 39 2HD2 LEU 39 -18.034 6.956 -4.981 279 3HD2 LEU 39 3HD2 LEU 39 -19.257 5.755 -4.555 280 H LEU 40 H LEU 40 -13.512 6.059 -2.499 281 HA LEU 40 HA LEU 40 -12.674 8.546 -1.170 282 1HB LEU 40 1HB LEU 40 -11.542 5.753 -0.810 283 2HB LEU 40 2HB LEU 40 -11.416 7.148 0.266 284 HG LEU 40 HG LEU 40 -13.861 5.417 -0.311 285 1HD1 LEU 40 1HD1 LEU 40 -12.205 4.591 1.341 286 2HD1 LEU 40 2HD1 LEU 40 -12.360 6.115 2.248 287 3HD1 LEU 40 3HD1 LEU 40 -13.745 5.016 2.113 288 1HD2 LEU 40 1HD2 LEU 40 -13.720 8.070 1.162 289 2HD2 LEU 40 2HD2 LEU 40 -14.775 7.662 -0.200 290 3HD2 LEU 40 3HD2 LEU 40 -15.042 6.898 1.369 291 H SER 41 H SER 41 -11.083 9.756 -2.003 292 HA SER 41 HA SER 41 -9.399 8.796 -4.201 293 1HB SER 41 1HB SER 41 -9.794 11.479 -2.862 294 2HB SER 41 2HB SER 41 -8.673 11.203 -4.202 295 HG SER 41 HG SER 41 -11.466 10.714 -4.210 296 HA PRO 42 HA PRO 42 -6.775 7.598 -0.734 297 1HB PRO 42 1HB PRO 42 -5.096 5.844 -1.955 298 2HB PRO 42 2HB PRO 42 -6.852 5.562 -1.859 299 1HG PRO 42 1HG PRO 42 -5.346 6.860 -4.156 300 2HG PRO 42 2HG PRO 42 -6.378 5.402 -4.239 301 1HD PRO 42 1HD PRO 42 -7.373 7.854 -4.785 302 2HD PRO 42 2HD PRO 42 -8.328 6.675 -3.843 303 H HIS 43 H HIS 43 -4.230 7.169 -0.509 304 HA HIS 43 HA HIS 43 -2.120 7.862 -0.412 305 1HB HIS 43 1HB HIS 43 -2.581 9.506 -2.928 306 2HB HIS 43 2HB HIS 43 -1.060 8.894 -2.294 307 HD1 HIS 43 HD1 HIS 43 -2.776 8.208 -5.154 308 HD2 HIS 43 HD2 HIS 43 -1.948 5.810 -1.796 309 HE1 HIS 43 HE1 HIS 43 -2.962 5.776 -5.919 310 H TYR 44 H TYR 44 -3.563 9.019 1.383 311 HA TYR 44 HA TYR 44 -2.590 11.824 1.485 312 1HB TYR 44 1HB TYR 44 -4.523 12.262 3.035 313 2HB TYR 44 2HB TYR 44 -4.840 12.095 1.321 314 HD1 TYR 44 HD1 TYR 44 -5.094 10.272 4.576 315 HD2 TYR 44 HD2 TYR 44 -6.332 10.484 0.458 316 HE1 TYR 44 HE1 TYR 44 -6.881 8.624 5.032 317 HE2 TYR 44 HE2 TYR 44 -8.150 8.852 0.925 318 HH TYR 44 HH TYR 44 -9.219 7.603 2.493 319 H VAL 45 H VAL 45 -2.108 8.751 2.697 320 HA VAL 45 HA VAL 45 -0.503 9.883 4.904 321 HB VAL 45 HB VAL 45 -1.010 7.734 6.189 322 1HG1 VAL 45 1HG1 VAL 45 -1.782 9.937 6.944 323 2HG1 VAL 45 2HG1 VAL 45 -3.246 9.783 5.951 324 3HG1 VAL 45 3HG1 VAL 45 -2.973 8.675 7.307 325 1HG2 VAL 45 1HG2 VAL 45 -2.232 6.532 4.369 326 2HG2 VAL 45 2HG2 VAL 45 -3.158 6.667 5.870 327 3HG2 VAL 45 3HG2 VAL 45 -3.556 7.714 4.504 328 H GLU 46 H GLU 46 1.497 8.934 5.088 329 HA GLU 46 HA GLU 46 2.151 6.661 3.329 330 1HB GLU 46 1HB GLU 46 2.405 8.647 1.965 331 2HB GLU 46 2HB GLU 46 3.530 9.374 3.112 332 1HG GLU 46 1HG GLU 46 5.235 7.792 2.645 333 2HG GLU 46 2HG GLU 46 4.107 6.619 1.977 334 H PHE 47 H PHE 47 4.346 8.946 4.989 335 HA PHE 47 HA PHE 47 5.718 8.731 6.713 336 1HB PHE 47 1HB PHE 47 3.751 7.684 7.904 337 2HB PHE 47 2HB PHE 47 4.400 6.097 7.501 338 HD1 PHE 47 HD1 PHE 47 4.945 9.150 9.522 339 HD2 PHE 47 HD2 PHE 47 6.282 5.145 8.646 340 HE1 PHE 47 HE1 PHE 47 6.453 9.218 11.491 341 HE2 PHE 47 HE2 PHE 47 7.821 5.238 10.584 342 HZ PHE 47 1HZ PHE 47 7.909 7.271 12.013 343 HA PRO 48 HA PRO 48 8.830 6.500 4.567 344 1HB PRO 48 1HB PRO 48 10.986 6.499 6.283 345 2HB PRO 48 2HB PRO 48 10.391 7.934 5.404 346 1HG PRO 48 1HG PRO 48 9.698 7.092 8.232 347 2HG PRO 48 2HG PRO 48 10.275 8.696 7.680 348 1HD PRO 48 1HD PRO 48 7.668 8.268 8.035 349 2HD PRO 48 2HD PRO 48 8.196 9.144 6.588 350 H ILE 49 H ILE 49 10.096 4.541 4.470 351 HA ILE 49 HA ILE 49 8.693 2.312 5.383 352 HB ILE 49 HB ILE 49 9.966 2.351 3.308 353 1HG1 ILE 49 1HG1 ILE 49 11.176 0.209 3.405 354 2HG1 ILE 49 2HG1 ILE 49 11.088 0.231 5.188 355 1HG2 ILE 49 1HG2 ILE 49 11.909 3.707 4.043 356 2HG2 ILE 49 2HG2 ILE 49 12.507 2.334 4.996 357 3HG2 ILE 49 3HG2 ILE 49 12.404 2.214 3.239 358 1HD1 ILE 49 1HD1 ILE 49 8.698 0.169 3.296 359 2HD1 ILE 49 2HD1 ILE 49 9.396 -1.243 4.114 360 3HD1 ILE 49 3HD1 ILE 49 8.643 0.038 5.072 361 H LYS 50 H LYS 50 8.892 0.869 6.972 362 HA LYS 50 HA LYS 50 11.295 0.777 8.686 363 1HB LYS 50 1HB LYS 50 8.449 1.033 9.716 364 2HB LYS 50 2HB LYS 50 9.816 0.400 10.651 365 1HG LYS 50 1HG LYS 50 11.042 2.557 10.285 366 2HG LYS 50 2HG LYS 50 9.622 3.184 9.429 367 1HD LYS 50 1HD LYS 50 9.607 4.024 11.671 368 2HD LYS 50 2HD LYS 50 8.256 2.890 11.488 369 1HE LYS 50 1HE LYS 50 9.510 1.164 12.719 370 2HE LYS 50 2HE LYS 50 10.952 2.203 12.752 371 1HZ LYS 50 1HZ LYS 50 8.379 2.786 14.030 372 2HZ LYS 50 2HZ LYS 50 9.745 2.262 14.792 373 3HZ LYS 50 3HZ LYS 50 9.718 3.747 14.075 374 HA PRO 51 HA PRO 51 9.962 -3.342 7.151 375 1HB PRO 51 1HB PRO 51 12.374 -4.574 7.016 376 2HB PRO 51 2HB PRO 51 11.934 -3.263 5.885 377 1HG PRO 51 1HG PRO 51 13.542 -3.018 8.439 378 2HG PRO 51 2HG PRO 51 13.989 -2.432 6.808 379 1HD PRO 51 1HD PRO 51 12.811 -0.835 8.684 380 2HD PRO 51 2HD PRO 51 12.449 -0.642 6.943 381 H GLY 52 H GLY 52 10.439 -5.657 8.038 382 1HA GLY 52 1HA GLY 52 11.108 -6.993 9.931 383 2HA GLY 52 2HA GLY 52 10.747 -5.660 11.024 384 H THR 53 H THR 53 8.209 -4.993 9.487 385 HA THR 53 HA THR 53 6.447 -6.534 11.093 386 HB THR 53 HB THR 53 6.025 -4.218 10.435 387 HG1 THR 53 HG1 THR 53 4.063 -6.026 9.488 388 1HG2 THR 53 1HG2 THR 53 6.818 -4.293 8.055 389 2HG2 THR 53 2HG2 THR 53 5.390 -5.267 7.639 390 H THR 54 H THR 54 5.043 -8.192 10.627 391 HA THR 54 HA THR 54 5.568 -9.942 8.375 392 HB THR 54 HB THR 54 3.405 -9.924 10.515 393 HG1 THR 54 HG1 THR 54 4.741 -11.549 11.383 394 1HG2 THR 54 1HG2 THR 54 4.175 -12.080 8.494 395 2HG2 THR 54 2HG2 THR 54 3.126 -12.337 9.905 396 H LEU 55 H LEU 55 4.216 -10.306 6.598 397 HA LEU 55 HA LEU 55 2.310 -8.113 5.937 398 1HB LEU 55 1HB LEU 55 4.869 -7.965 5.265 399 2HB LEU 55 2HB LEU 55 4.427 -9.106 4.017 400 HG LEU 55 HG LEU 55 4.429 -6.884 3.144 401 1HD1 LEU 55 1HD1 LEU 55 2.607 -8.316 2.307 402 2HD1 LEU 55 2HD1 LEU 55 1.510 -7.635 3.533 403 3HD1 LEU 55 3HD1 LEU 55 2.183 -6.598 2.259 404 1HD2 LEU 55 1HD2 LEU 55 4.179 -5.676 5.299 405 2HD2 LEU 55 2HD2 LEU 55 3.182 -5.016 3.995 406 3HD2 LEU 55 3HD2 LEU 55 2.432 -5.997 5.262 407 H THR 56 H THR 56 0.782 -9.808 6.515 408 HA THR 56 HA THR 56 0.239 -11.766 4.329 409 HB THR 56 HB THR 56 -1.414 -12.710 5.966 410 HG1 THR 56 HG1 THR 56 -1.233 -11.986 8.107 411 1HG2 THR 56 1HG2 THR 56 1.455 -12.600 6.952 412 2HG2 THR 56 2HG2 THR 56 0.200 -13.714 7.537 413 H LYS 57 H LYS 57 -2.181 -12.044 3.995 414 HA LYS 57 HA LYS 57 -3.444 -9.690 3.045 415 1HB LYS 57 1HB LYS 57 -3.809 -12.048 2.320 416 2HB LYS 57 2HB LYS 57 -4.694 -12.371 3.810 417 1HG LYS 57 1HG LYS 57 -5.482 -10.251 1.746 418 2HG LYS 57 2HG LYS 57 -6.038 -11.928 1.729 419 1HD LYS 57 1HD LYS 57 -6.984 -11.566 4.067 420 2HD LYS 57 2HD LYS 57 -6.674 -9.832 3.831 421 1HE LYS 57 1HE LYS 57 -8.054 -9.884 1.763 422 2HE LYS 57 2HE LYS 57 -8.435 -11.586 2.088 423 1HZ LYS 57 1HZ LYS 57 -9.054 -9.338 3.865 424 2HZ LYS 57 2HZ LYS 57 -10.132 -10.118 2.891 425 3HZ LYS 57 3HZ LYS 57 -9.421 -10.920 4.145 426 H GLU 58 H GLU 58 -3.971 -11.635 6.044 427 HA GLU 58 HA GLU 58 -5.999 -9.921 7.046 428 1HB GLU 58 1HB GLU 58 -5.911 -11.236 9.073 429 2HB GLU 58 2HB GLU 58 -5.936 -12.208 7.611 430 1HG GLU 58 1HG GLU 58 -4.465 -13.318 9.030 431 2HG GLU 58 2HG GLU 58 -3.436 -12.545 7.828 432 H LYS 59 H LYS 59 -2.467 -9.696 7.374 433 HA LYS 59 HA LYS 59 -2.553 -7.748 9.524 434 1HB LYS 59 1HB LYS 59 -0.471 -8.490 7.449 435 2HB LYS 59 2HB LYS 59 -0.228 -7.164 8.583 436 1HG LYS 59 1HG LYS 59 -0.839 -9.997 9.492 437 2HG LYS 59 2HG LYS 59 0.800 -9.367 9.254 438 1HD LYS 59 1HD LYS 59 0.290 -7.549 10.910 439 2HD LYS 59 2HD LYS 59 -1.281 -8.317 11.217 440 1HE LYS 59 1HE LYS 59 1.417 -9.639 11.663 441 2HE LYS 59 2HE LYS 59 0.400 -8.904 12.912 442 1HZ LYS 59 1HZ LYS 59 -1.305 -10.484 12.372 443 2HZ LYS 59 2HZ LYS 59 -0.349 -11.186 11.229 444 3HZ LYS 59 3HZ LYS 59 0.087 -11.248 12.816 445 H ILE 60 H ILE 60 -2.171 -7.531 5.971 446 HA ILE 60 HA ILE 60 -2.227 -4.741 5.719 447 HB ILE 60 HB ILE 60 -2.982 -7.024 3.883 448 1HG1 ILE 60 1HG1 ILE 60 -0.571 -6.680 4.558 449 2HG1 ILE 60 2HG1 ILE 60 -0.917 -6.676 2.801 450 1HG2 ILE 60 1HG2 ILE 60 -2.987 -4.081 3.155 451 2HG2 ILE 60 2HG2 ILE 60 -2.901 -5.408 1.979 452 3HG2 ILE 60 3HG2 ILE 60 -4.320 -5.241 3.013 453 1HD1 ILE 60 1HD1 ILE 60 -0.468 -4.166 4.522 454 2HD1 ILE 60 2HD1 ILE 60 0.726 -4.945 3.483 455 3HD1 ILE 60 3HD1 ILE 60 -0.711 -4.220 2.762 456 H GLU 61 H GLU 61 -4.943 -7.048 5.879 457 HA GLU 61 HA GLU 61 -7.062 -5.537 5.045 458 1HB GLU 61 1HB GLU 61 -7.295 -7.846 5.584 459 2HB GLU 61 2HB GLU 61 -6.864 -7.578 7.280 460 1HG GLU 61 1HG GLU 61 -8.932 -6.420 7.726 461 2HG GLU 61 2HG GLU 61 -9.335 -6.354 6.006 462 H TYR 62 H TYR 62 -6.161 -5.772 8.562 463 HA TYR 62 HA TYR 62 -7.896 -3.591 9.228 464 1HB TYR 62 1HB TYR 62 -7.054 -3.789 11.445 465 2HB TYR 62 2HB TYR 62 -7.399 -5.372 10.782 466 HD1 TYR 62 HD1 TYR 62 -4.600 -2.965 11.514 467 HD2 TYR 62 HD2 TYR 62 -5.769 -7.080 10.970 468 HE1 TYR 62 HE1 TYR 62 -2.400 -3.697 12.354 469 HE2 TYR 62 HE2 TYR 62 -3.596 -7.812 11.897 470 HH TYR 62 HH TYR 62 -1.085 -5.475 12.961 471 H TYR 63 H TYR 63 -4.462 -3.772 8.360 472 HA TYR 63 HA TYR 63 -3.652 -1.388 9.569 473 1HB TYR 63 1HB TYR 63 -2.157 -3.189 8.864 474 2HB TYR 63 2HB TYR 63 -2.530 -2.866 7.170 475 HD1 TYR 63 HD1 TYR 63 -1.865 -0.100 9.630 476 HD2 TYR 63 HD2 TYR 63 -0.194 -2.677 6.592 477 HE1 TYR 63 HE1 TYR 63 0.210 1.213 9.656 478 HE2 TYR 63 HE2 TYR 63 1.905 -1.369 6.654 479 HH TYR 63 HH TYR 63 3.061 0.345 7.673 480 H VAL 64 H VAL 64 -4.630 -1.978 6.136 481 HA VAL 64 HA VAL 64 -4.310 0.753 5.351 482 HB VAL 64 HB VAL 64 -5.442 0.183 3.325 483 1HG1 VAL 64 1HG1 VAL 64 -3.103 -0.427 3.524 484 2HG1 VAL 64 2HG1 VAL 64 -3.522 -2.007 4.210 485 3HG1 VAL 64 3HG1 VAL 64 -3.955 -1.622 2.536 486 1HG2 VAL 64 1HG2 VAL 64 -6.245 -2.409 4.685 487 2HG2 VAL 64 2HG2 VAL 64 -7.293 -1.174 3.973 488 3HG2 VAL 64 3HG2 VAL 64 -6.271 -2.174 2.933 489 H GLU 65 H GLU 65 -7.050 -1.067 6.739 490 HA GLU 65 HA GLU 65 -9.056 0.907 6.272 491 1HB GLU 65 1HB GLU 65 -8.772 -1.295 8.344 492 2HB GLU 65 2HB GLU 65 -10.170 -0.208 8.272 493 1HG GLU 65 1HG GLU 65 -10.643 -0.867 5.967 494 2HG GLU 65 2HG GLU 65 -9.240 -1.937 5.942 495 H TRP 66 H TRP 66 -6.842 0.368 9.086 496 HA TRP 66 HA TRP 66 -7.792 2.609 10.597 497 1HB TRP 66 1HB TRP 66 -5.058 1.319 10.619 498 2HB TRP 66 2HB TRP 66 -5.749 2.346 11.873 499 HD1 TRP 66 HD1 TRP 66 -4.621 -0.323 12.673 500 HE1 TRP 66 HE1 TRP 66 -6.007 -2.221 13.632 501 HE3 TRP 66 HE3 TRP 66 -9.279 1.026 10.873 502 HZ2 TRP 66 HZ2 TRP 66 -8.753 -3.091 13.609 503 HZ3 TRP 66 HZ3 TRP 66 -11.211 -0.396 11.329 504 HH2 TRP 66 HH2 TRP 66 -10.982 -2.457 12.695 505 H ALA 67 H ALA 67 -5.196 2.267 8.164 506 HA ALA 67 HA ALA 67 -4.055 4.832 8.441 507 1HB ALA 67 1HB ALA 67 -2.999 2.934 7.266 508 2HB ALA 67 2HB ALA 67 -4.210 3.056 5.972 509 3HB ALA 67 3HB ALA 67 -3.064 4.379 6.245 510 H LEU 68 H LEU 68 -6.621 3.660 6.173 511 HA LEU 68 HA LEU 68 -6.956 6.242 4.999 512 1HB LEU 68 1HB LEU 68 -8.440 5.287 3.538 513 2HB LEU 68 2HB LEU 68 -7.343 3.991 3.947 514 HG LEU 68 HG LEU 68 -9.231 3.347 5.711 515 1HD1 LEU 68 1HD1 LEU 68 -10.778 4.927 3.597 516 2HD1 LEU 68 2HD1 LEU 68 -11.503 3.841 4.790 517 3HD1 LEU 68 3HD1 LEU 68 -10.728 5.325 5.321 518 1HD2 LEU 68 1HD2 LEU 68 -8.518 1.958 3.796 519 2HD2 LEU 68 2HD2 LEU 68 -10.274 1.924 3.984 520 3HD2 LEU 68 3HD2 LEU 68 -9.541 2.923 2.712 521 H ASP 69 H ASP 69 -8.430 4.640 7.787 522 HA ASP 69 HA ASP 69 -10.654 6.460 8.042 523 1HB ASP 69 1HB ASP 69 -9.354 4.552 10.014 524 2HB ASP 69 2HB ASP 69 -10.804 5.503 10.348 525 H ALA 70 H ALA 70 -7.395 7.173 8.340 526 HA ALA 70 HA ALA 70 -7.318 9.068 10.428 527 1HB ALA 70 1HB ALA 70 -6.134 9.181 7.618 528 2HB ALA 70 2HB ALA 70 -5.664 10.215 8.984 529 3HB ALA 70 3HB ALA 70 -5.371 8.467 9.058 530 H THR 71 H THR 71 -8.658 9.246 7.101 531 HA THR 71 HA THR 71 -9.872 11.885 7.597 532 HB THR 71 HB THR 71 -10.686 11.680 5.299 533 HG1 THR 71 HG1 THR 71 -9.266 9.230 5.290 534 1HG2 THR 71 1HG2 THR 71 -8.485 12.699 5.708 535 2HG2 THR 71 2HG2 THR 71 -7.703 11.114 5.607 536 H ALA 72 H ALA 72 -10.936 8.466 7.009 537 HA ALA 72 HA ALA 72 -13.709 9.253 7.267 538 1HB ALA 72 1HB ALA 72 -13.100 7.610 5.618 539 2HB ALA 72 2HB ALA 72 -12.485 6.508 6.841 540 3HB ALA 72 3HB ALA 72 -14.213 6.905 6.797 541 H TYR 73 H TYR 73 -13.004 6.216 8.765 542 HA TYR 73 HA TYR 73 -13.393 5.360 10.749 543 1HB TYR 73 1HB TYR 73 -12.111 7.711 11.505 544 2HB TYR 73 2HB TYR 73 -13.597 7.786 12.427 545 HD1 TYR 73 HD1 TYR 73 -14.210 5.483 13.718 546 HD2 TYR 73 HD2 TYR 73 -10.259 6.657 12.447 547 HE1 TYR 73 HE1 TYR 73 -13.220 3.835 15.266 548 HE2 TYR 73 HE2 TYR 73 -9.275 5.010 13.998 549 HH TYR 73 HH TYR 73 -9.677 3.373 15.564 550 H LYS 74 H LYS 74 -15.175 4.774 11.970 551 HA LYS 74 HA LYS 74 -17.291 4.486 12.566 552 1HB LYS 74 1HB LYS 74 -17.757 7.458 12.058 553 2HB LYS 74 2HB LYS 74 -18.815 6.352 12.925 554 1HG LYS 74 1HG LYS 74 -15.993 7.151 13.759 555 2HG LYS 74 2HG LYS 74 -17.510 7.759 14.429 556 1HD LYS 74 1HD LYS 74 -18.106 5.407 15.110 557 2HD LYS 74 2HD LYS 74 -16.474 4.897 14.639 558 1HE LYS 74 1HE LYS 74 -17.127 7.015 16.733 559 2HE LYS 74 2HE LYS 74 -16.669 5.336 17.066 560 1HZ LYS 74 1HZ LYS 74 -14.581 5.743 16.009 561 2HZ LYS 74 2HZ LYS 74 -14.990 7.309 15.694 562 3HZ LYS 74 3HZ LYS 74 -14.815 6.799 17.252 563 H GLU 75 H GLU 75 -18.100 6.963 10.107 564 HA GLU 75 HA GLU 75 -19.740 5.069 8.616 565 1HB GLU 75 1HB GLU 75 -18.932 7.965 8.221 566 2HB GLU 75 2HB GLU 75 -19.837 7.066 6.998 567 1HG GLU 75 1HG GLU 75 -21.386 8.326 8.336 568 2HG GLU 75 2HG GLU 75 -21.635 6.600 8.610 569 H PHE 76 H PHE 76 -19.327 5.072 6.148 570 HA PHE 76 HA PHE 76 -18.231 4.045 4.510 571 1HB PHE 76 1HB PHE 76 -16.358 5.104 4.013 572 2HB PHE 76 2HB PHE 76 -15.941 5.471 5.657 573 HD1 PHE 76 HD1 PHE 76 -14.652 3.816 7.072 574 HD2 PHE 76 HD2 PHE 76 -15.364 3.205 2.865 575 HE1 PHE 76 HE1 PHE 76 -12.972 1.994 7.046 576 HE2 PHE 76 HE2 PHE 76 -13.580 1.478 2.820 577 HZ PHE 76 1HZ PHE 76 -12.368 0.892 4.912 578 H ARG 77 H ARG 77 -17.618 1.925 4.046 579 HA ARG 77 HA ARG 77 -16.929 0.058 6.187 580 1HB ARG 77 1HB ARG 77 -19.287 0.333 6.647 581 2HB ARG 77 2HB ARG 77 -19.704 0.162 4.934 582 1HG ARG 77 1HG ARG 77 -18.992 -2.192 4.964 583 2HG ARG 77 2HG ARG 77 -18.462 -2.033 6.656 584 1HD ARG 77 1HD ARG 77 -20.764 -1.566 7.357 585 2HD ARG 77 2HD ARG 77 -21.297 -1.535 5.664 586 HE ARG 77 HE ARG 77 -20.024 -4.034 6.300 587 1HH1 ARG 77 1HH1 ARG 77 -23.085 -2.268 6.741 588 2HH1 ARG 77 2HH1 ARG 77 -24.034 -3.730 6.875 589 1HH2 ARG 77 1HH2 ARG 77 -21.295 -5.917 6.478 590 2HH2 ARG 77 2HH2 ARG 77 -23.023 -5.797 6.727 591 H VAL 78 H VAL 78 -15.872 -1.648 5.331 592 HA VAL 78 HA VAL 78 -15.514 -1.819 2.423 593 HB VAL 78 HB VAL 78 -14.291 -3.442 4.695 594 1HG1 VAL 78 1HG1 VAL 78 -13.534 -3.176 1.749 595 2HG1 VAL 78 2HG1 VAL 78 -12.554 -3.991 2.986 596 3HG1 VAL 78 3HG1 VAL 78 -14.142 -4.632 2.567 597 1HG2 VAL 78 1HG2 VAL 78 -13.243 -1.007 3.199 598 2HG2 VAL 78 2HG2 VAL 78 -13.652 -1.110 4.931 599 3HG2 VAL 78 3HG2 VAL 78 -12.281 -2.023 4.291 600 H VAL 79 H VAL 79 -16.629 -3.233 1.154 601 HA VAL 79 HA VAL 79 -18.417 -5.276 2.226 602 HB VAL 79 HB VAL 79 -17.391 -4.718 -0.590 603 1HG1 VAL 79 1HG1 VAL 79 -19.565 -6.628 0.376 604 2HG1 VAL 79 2HG1 VAL 79 -19.251 -6.201 -1.318 605 3HG1 VAL 79 3HG1 VAL 79 -18.034 -7.092 -0.399 606 1HG2 VAL 79 1HG2 VAL 79 -20.066 -4.137 0.745 607 2HG2 VAL 79 2HG2 VAL 79 -18.831 -2.935 0.303 608 3HG2 VAL 79 3HG2 VAL 79 -19.672 -3.840 -0.962 609 H GLU 80 H GLU 80 -15.488 -5.416 0.130 610 HA GLU 80 HA GLU 80 -14.048 -7.008 1.970 611 1HB GLU 80 1HB GLU 80 -15.778 -8.573 0.392 612 2HB GLU 80 2HB GLU 80 -14.243 -8.695 -0.460 613 1HG GLU 80 1HG GLU 80 -14.690 -9.261 2.510 614 2HG GLU 80 2HG GLU 80 -14.604 -10.478 1.235 615 H LEU 81 H LEU 81 -11.887 -6.891 1.513 616 HA LEU 81 HA LEU 81 -10.988 -5.322 -0.799 617 1HB LEU 81 1HB LEU 81 -8.759 -5.584 0.187 618 2HB LEU 81 2HB LEU 81 -9.902 -4.840 1.299 619 HG LEU 81 HG LEU 81 -9.630 -7.815 1.539 620 1HD1 LEU 81 1HD1 LEU 81 -7.379 -5.912 2.320 621 2HD1 LEU 81 2HD1 LEU 81 -7.514 -7.608 2.827 622 3HD1 LEU 81 3HD1 LEU 81 -7.290 -7.214 1.113 623 1HD2 LEU 81 1HD2 LEU 81 -10.996 -6.370 3.133 624 2HD2 LEU 81 2HD2 LEU 81 -9.708 -7.297 3.911 625 3HD2 LEU 81 3HD2 LEU 81 -9.491 -5.563 3.601 626 H ASP 82 H ASP 82 -8.991 -6.262 -2.023 627 HA ASP 82 HA ASP 82 -9.837 -8.679 -3.286 628 1HB ASP 82 1HB ASP 82 -7.134 -7.291 -3.399 629 2HB ASP 82 2HB ASP 82 -7.678 -8.575 -4.482 630 HA PRO 83 HA PRO 83 -7.773 -11.441 -0.286 631 1HB PRO 83 1HB PRO 83 -8.013 -13.811 -1.610 632 2HB PRO 83 2HB PRO 83 -9.391 -13.010 -0.805 633 1HG PRO 83 1HG PRO 83 -8.662 -12.909 -3.740 634 2HG PRO 83 2HG PRO 83 -10.263 -13.229 -3.017 635 1HD PRO 83 1HD PRO 83 -9.522 -10.769 -3.924 636 2HD PRO 83 2HD PRO 83 -10.576 -10.945 -2.486 637 H SER 84 H SER 84 -7.123 -11.327 -3.791 638 HA SER 84 HA SER 84 -4.240 -11.898 -3.437 639 1HB SER 84 1HB SER 84 -5.942 -11.360 -5.903 640 2HB SER 84 2HB SER 84 -4.207 -11.748 -5.898 641 HG SER 84 HG SER 84 -5.529 -13.582 -6.227 642 H ALA 85 H ALA 85 -4.351 -9.909 -1.926 643 HA ALA 85 HA ALA 85 -4.268 -7.283 -3.130 644 1HB ALA 85 1HB ALA 85 -4.661 -7.635 -0.719 645 2HB ALA 85 2HB ALA 85 -3.041 -8.332 -0.543 646 3HB ALA 85 3HB ALA 85 -3.229 -6.628 -0.991 647 H LYS 86 H LYS 86 -2.041 -6.026 -2.896 648 HA LYS 86 HA LYS 86 0.177 -7.612 -4.030 649 1HB LYS 86 1HB LYS 86 0.127 -6.358 -6.143 650 2HB LYS 86 2HB LYS 86 -1.330 -7.324 -5.890 651 1HG LYS 86 1HG LYS 86 -2.484 -5.190 -5.038 652 2HG LYS 86 2HG LYS 86 -1.020 -4.327 -5.494 653 1HD LYS 86 1HD LYS 86 -2.621 -4.035 -7.237 654 2HD LYS 86 2HD LYS 86 -1.315 -5.057 -7.849 655 1HE LYS 86 1HE LYS 86 -3.544 -5.831 -8.578 656 2HE LYS 86 2HE LYS 86 -2.749 -7.062 -7.598 657 1HZ LYS 86 1HZ LYS 86 -4.786 -5.172 -6.643 658 2HZ LYS 86 2HZ LYS 86 -5.042 -6.758 -7.012 659 3HZ LYS 86 3HZ LYS 86 -4.073 -6.356 -5.742 660 H ILE 87 H ILE 87 2.091 -6.558 -4.310 661 HA ILE 87 HA ILE 87 2.489 -4.032 -2.770 662 HB ILE 87 HB ILE 87 4.263 -6.511 -2.819 663 1HG1 ILE 87 1HG1 ILE 87 3.589 -6.262 -0.218 664 2HG1 ILE 87 2HG1 ILE 87 2.069 -5.678 -0.978 665 1HG2 ILE 87 1HG2 ILE 87 4.449 -3.904 -1.252 666 2HG2 ILE 87 2HG2 ILE 87 5.514 -5.309 -1.049 667 3HG2 ILE 87 3HG2 ILE 87 5.523 -4.411 -2.567 668 1HD1 ILE 87 1HD1 ILE 87 3.456 -8.347 -1.536 669 2HD1 ILE 87 2HD1 ILE 87 2.064 -8.113 -0.470 670 3HD1 ILE 87 3HD1 ILE 87 1.898 -7.829 -2.206 671 H GLU 88 H GLU 88 2.792 -2.626 -4.460 672 HA GLU 88 HA GLU 88 4.358 -3.436 -6.835 673 1HB GLU 88 1HB GLU 88 2.769 -0.888 -6.428 674 2HB GLU 88 2HB GLU 88 3.416 -1.579 -7.915 675 1HG GLU 88 1HG GLU 88 1.327 -2.360 -8.186 676 2HG GLU 88 2HG GLU 88 1.821 -3.653 -7.094 677 H VAL 89 H VAL 89 6.221 -3.481 -5.119 678 HA VAL 89 HA VAL 89 7.283 -0.999 -4.270 679 HB VAL 89 HB VAL 89 7.804 -3.093 -3.182 680 1HG1 VAL 89 1HG1 VAL 89 8.064 -4.569 -5.189 681 2HG1 VAL 89 2HG1 VAL 89 9.623 -3.784 -5.527 682 3HG1 VAL 89 3HG1 VAL 89 9.396 -4.693 -4.030 683 1HG2 VAL 89 1HG2 VAL 89 9.277 -1.138 -2.892 684 2HG2 VAL 89 2HG2 VAL 89 10.189 -2.655 -2.787 685 3HG2 VAL 89 3HG2 VAL 89 10.278 -1.671 -4.256 686 H THR 90 H THR 90 8.277 0.547 -5.332 687 HA THR 90 HA THR 90 9.352 0.078 -8.083 688 HB THR 90 1HB THR 90 7.960 2.521 -6.911 689 HG1 THR 90 HG1 THR 90 6.568 0.781 -7.361 690 1HG2 THR 90 1HG2 THR 90 9.615 3.169 -8.611 691 2HG2 THR 90 2HG2 THR 90 9.018 1.909 -9.713 692 H TYR 91 H TYR 91 11.505 -0.006 -7.857 693 HA TYR 91 HA TYR 91 12.879 1.757 -5.873 694 1HB TYR 91 1HB TYR 91 14.383 -0.135 -5.515 695 2HB TYR 91 2HB TYR 91 12.729 -0.467 -5.042 696 HD1 TYR 91 HD1 TYR 91 11.265 -1.930 -6.496 697 HD2 TYR 91 HD2 TYR 91 15.537 -1.604 -6.992 698 HE1 TYR 91 HE1 TYR 91 11.301 -4.131 -7.614 699 HE2 TYR 91 HE2 TYR 91 15.579 -3.860 -8.006 700 HH TYR 91 HH TYR 91 14.346 -5.637 -8.774 701 H TYR 92 H TYR 92 14.261 3.118 -6.721 702 HA TYR 92 HA TYR 92 15.117 2.822 -9.565 703 1HB TYR 92 1HB TYR 92 14.398 5.264 -9.721 704 2HB TYR 92 2HB TYR 92 13.142 4.057 -9.586 705 HD1 TYR 92 HD1 TYR 92 14.798 6.825 -7.718 706 HD2 TYR 92 HD2 TYR 92 11.652 3.883 -7.747 707 HE1 TYR 92 HE1 TYR 92 13.872 7.796 -5.648 708 HE2 TYR 92 HE2 TYR 92 10.705 4.882 -5.683 709 HH TYR 92 HH TYR 92 11.056 6.341 -3.961 710 H ASP 93 H ASP 93 17.068 2.144 -7.936 711 HA ASP 93 HA ASP 93 18.652 4.412 -7.082 712 1HB ASP 93 1HB ASP 93 20.394 2.755 -6.661 713 2HB ASP 93 2HB ASP 93 18.839 2.299 -5.980 714 H LYS 94 H LYS 94 20.246 5.491 -8.140 715 HA LYS 94 HA LYS 94 20.726 4.936 -11.025 716 1HB LYS 94 1HB LYS 94 20.064 7.209 -10.295 717 2HB LYS 94 2HB LYS 94 21.522 7.294 -9.287 718 1HG LYS 94 1HG LYS 94 22.867 6.926 -11.450 719 2HG LYS 94 2HG LYS 94 21.336 7.106 -12.323 720 1HD LYS 94 1HD LYS 94 21.052 9.370 -11.333 721 2HD LYS 94 2HD LYS 94 22.554 9.156 -10.409 722 1HE LYS 94 1HE LYS 94 23.819 8.918 -12.541 723 2HE LYS 94 2HE LYS 94 22.317 9.207 -13.445 724 1HZ LYS 94 1HZ LYS 94 23.575 11.072 -11.557 725 2HZ LYS 94 2HZ LYS 94 23.619 11.187 -13.201 726 3HZ LYS 94 3HZ LYS 94 22.185 11.349 -12.401 727 H ASN 95 H ASN 95 21.773 2.900 -10.172 728 HA ASN 95 HA ASN 95 24.684 3.321 -9.776 729 1HB ASN 95 1HB ASN 95 22.898 1.613 -7.983 730 2HB ASN 95 2HB ASN 95 24.651 1.448 -8.093 731 1HD2 ASN 95 1HD2 ASN 95 23.022 4.671 -6.082 732 2HD2 ASN 95 2HD2 ASN 95 22.041 3.734 -7.187 733 H LYS 96 H LYS 96 22.023 0.933 -10.238 734 HA LYS 96 HA LYS 96 23.501 -0.371 -12.409 735 1HB LYS 96 1HB LYS 96 23.649 -2.533 -11.283 736 2HB LYS 96 2HB LYS 96 24.582 -1.290 -10.463 737 1HG LYS 96 1HG LYS 96 23.633 -2.125 -8.589 738 2HG LYS 96 2HG LYS 96 22.297 -1.069 -9.015 739 1HD LYS 96 1HD LYS 96 21.199 -3.073 -8.640 740 2HD LYS 96 2HD LYS 96 21.434 -3.163 -10.391 741 1HE LYS 96 1HE LYS 96 23.443 -4.582 -10.036 742 2HE LYS 96 2HE LYS 96 23.218 -4.450 -8.279 743 1HZ LYS 96 1HZ LYS 96 21.108 -5.515 -8.522 744 2HZ LYS 96 2HZ LYS 96 21.310 -5.647 -10.153 745 3HZ LYS 96 3HZ LYS 96 22.310 -6.467 -9.129 746 H LYS 97 H LYS 97 20.599 -0.339 -10.296 747 HA LYS 97 HA LYS 97 19.262 -2.257 -12.023 748 1HB LYS 97 1HB LYS 97 19.156 -2.122 -9.445 749 2HB LYS 97 2HB LYS 97 18.093 -0.740 -9.688 750 1HG LYS 97 1HG LYS 97 16.475 -2.279 -9.603 751 2HG LYS 97 2HG LYS 97 16.818 -2.515 -11.309 752 1HD LYS 97 1HD LYS 97 17.976 -4.128 -8.978 753 2HD LYS 97 2HD LYS 97 16.630 -4.642 -9.996 754 1HE LYS 97 1HE LYS 97 19.492 -4.240 -10.941 755 2HE LYS 97 2HE LYS 97 18.686 -5.776 -10.621 756 1HZ LYS 97 1HZ LYS 97 17.126 -5.274 -12.346 757 2HZ LYS 97 2HZ LYS 97 17.873 -3.840 -12.667 758 3HZ LYS 97 3HZ LYS 97 18.667 -5.259 -12.932 759 H LYS 98 H LYS 98 18.620 1.134 -11.013 760 HA LYS 98 HA LYS 98 17.349 2.769 -11.852 761 1HB LYS 98 1HB LYS 98 18.285 1.729 -14.166 762 2HB LYS 98 2HB LYS 98 16.557 1.418 -14.400 763 1HG LYS 98 1HG LYS 98 16.204 3.914 -13.842 764 2HG LYS 98 2HG LYS 98 17.960 4.080 -13.867 765 1HD LYS 98 1HD LYS 98 16.222 3.116 -16.187 766 2HD LYS 98 2HD LYS 98 16.866 4.753 -15.987 767 1HE LYS 98 1HE LYS 98 19.192 3.822 -16.045 768 2HE LYS 98 2HE LYS 98 18.511 2.216 -16.390 769 1HZ LYS 98 1HZ LYS 98 18.166 4.604 -18.046 770 2HZ LYS 98 2HZ LYS 98 19.166 3.333 -18.366 771 3HZ LYS 98 3HZ LYS 98 17.531 3.114 -18.356 772 H GLU 99 H GLU 99 14.854 2.934 -12.946 773 HA GLU 99 HA GLU 99 13.355 1.970 -10.762 774 1HB GLU 99 1HB GLU 99 13.002 4.099 -11.931 775 2HB GLU 99 2HB GLU 99 12.335 3.230 -13.326 776 1HG GLU 99 1HG GLU 99 10.480 2.397 -12.008 777 2HG GLU 99 2HG GLU 99 11.241 2.910 -10.496 778 H GLU 100 H GLU 100 12.205 0.194 -10.428 779 HA GLU 100 HA GLU 100 11.171 -1.445 -12.672 780 1HB GLU 100 1HB GLU 100 12.989 -2.460 -10.444 781 2HB GLU 100 2HB GLU 100 11.989 -3.483 -11.494 782 1HG GLU 100 1HG GLU 100 13.178 -2.489 -13.486 783 2HG GLU 100 2HG GLU 100 14.293 -1.692 -12.362 784 H THR 101 H THR 101 9.052 -1.147 -12.228 785 HA THR 101 HA THR 101 7.970 -1.341 -9.512 786 HB THR 101 HB THR 101 6.598 -1.163 -12.220 787 HG1 THR 101 HG1 THR 101 7.144 0.773 -10.223 788 1HG2 THR 101 1HG2 THR 101 5.538 -0.852 -9.368 789 2HG2 THR 101 2HG2 THR 101 4.635 -0.465 -10.846 790 H LYS 102 H LYS 102 8.029 -3.331 -8.615 791 HA LYS 102 HA LYS 102 7.323 -5.752 -10.234 792 1HB LYS 102 1HB LYS 102 8.932 -5.426 -7.673 793 2HB LYS 102 2HB LYS 102 8.483 -6.978 -8.391 794 1HG LYS 102 1HG LYS 102 10.186 -4.866 -9.800 795 2HG LYS 102 2HG LYS 102 10.816 -6.224 -8.857 796 1HD LYS 102 1HD LYS 102 9.756 -7.838 -10.379 797 2HD LYS 102 2HD LYS 102 9.065 -6.515 -11.334 798 1HE LYS 102 1HE LYS 102 11.034 -7.377 -12.440 799 2HE LYS 102 2HE LYS 102 11.316 -5.710 -11.916 800 1HZ LYS 102 1HZ LYS 102 12.244 -8.123 -10.520 801 2HZ LYS 102 2HZ LYS 102 13.172 -7.139 -11.463 802 3HZ LYS 102 3HZ LYS 102 12.536 -6.567 -10.056 803 H SER 103 H SER 103 5.169 -5.894 -10.085 804 HA SER 103 HA SER 103 3.732 -5.374 -7.560 805 1HB SER 103 1HB SER 103 1.739 -5.612 -8.974 806 2HB SER 103 2HB SER 103 2.866 -4.390 -9.588 807 HG SER 103 HG SER 103 2.648 -7.059 -10.521 808 H PHE 104 H PHE 104 5.129 -7.284 -6.711 809 HA PHE 104 HA PHE 104 4.194 -9.909 -7.443 810 1HB PHE 104 1HB PHE 104 5.670 -10.750 -5.818 811 2HB PHE 104 2HB PHE 104 6.485 -9.434 -6.644 812 HD1 PHE 104 HD1 PHE 104 6.840 -7.227 -5.439 813 HD2 PHE 104 HD2 PHE 104 5.282 -10.728 -3.462 814 HE1 PHE 104 HE1 PHE 104 7.439 -6.256 -3.237 815 HE2 PHE 104 HE2 PHE 104 5.956 -9.793 -1.279 816 HZ PHE 104 1HZ PHE 104 7.010 -7.540 -1.152 817 HA PRO 105 HA PRO 105 0.561 -9.741 -4.981 818 1HB PRO 105 1HB PRO 105 -0.207 -12.346 -4.831 819 2HB PRO 105 2HB PRO 105 -0.085 -11.478 -6.387 820 1HG PRO 105 1HG PRO 105 2.028 -13.246 -5.109 821 2HG PRO 105 2HG PRO 105 1.346 -13.388 -6.758 822 1HD PRO 105 1HD PRO 105 3.665 -12.051 -6.315 823 2HD PRO 105 2HD PRO 105 2.458 -11.421 -7.478 824 H ILE 106 H ILE 106 -0.541 -10.618 -3.022 825 HA ILE 106 HA ILE 106 1.226 -10.714 -0.734 826 HB ILE 106 HB ILE 106 -0.996 -9.499 -0.902 827 1HG1 ILE 106 1HG1 ILE 106 -1.824 -9.960 1.326 828 2HG1 ILE 106 2HG1 ILE 106 -0.831 -11.464 1.412 829 1HG2 ILE 106 1HG2 ILE 106 -2.283 -11.324 -2.027 830 2HG2 ILE 106 2HG2 ILE 106 -2.216 -12.275 -0.529 831 3HG2 ILE 106 3HG2 ILE 106 -3.072 -10.735 -0.552 832 1HD1 ILE 106 1HD1 ILE 106 0.264 -8.624 1.025 833 2HD1 ILE 106 2HD1 ILE 106 0.122 -9.424 2.595 834 3HD1 ILE 106 3HD1 ILE 106 1.206 -10.098 1.377 835 H THR 107 H THR 107 1.017 -12.435 0.931 836 HA THR 107 HA THR 107 0.063 -15.079 -0.045 837 HB THR 107 HB THR 107 1.982 -16.161 1.051 838 HG1 THR 107 HG1 THR 107 3.019 -13.529 1.219 839 1HG2 THR 107 1HG2 THR 107 2.874 -14.193 -1.104 840 2HG2 THR 107 2HG2 THR 107 3.650 -15.727 -0.670 841 H GLU 108 H GLU 108 -1.316 -15.941 1.346 842 HA GLU 108 HA GLU 108 -1.950 -14.800 3.885 843 1HB GLU 108 1HB GLU 108 -3.403 -16.660 4.218 844 2HB GLU 108 2HB GLU 108 -3.592 -16.044 2.580 845 1HG GLU 108 1HG GLU 108 -1.997 -18.546 3.344 846 2HG GLU 108 2HG GLU 108 -3.667 -18.536 2.789 847 H LYS 109 H LYS 109 0.366 -17.258 2.866 848 HA LYS 109 HA LYS 109 1.088 -18.335 5.403 849 1HB LYS 109 1HB LYS 109 2.745 -17.842 2.890 850 2HB LYS 109 2HB LYS 109 3.249 -18.824 4.276 851 1HG LYS 109 1HG LYS 109 1.331 -20.350 3.909 852 2HG LYS 109 2HG LYS 109 0.820 -19.374 2.519 853 1HD LYS 109 1HD LYS 109 3.017 -19.813 1.419 854 2HD LYS 109 2HD LYS 109 3.459 -20.869 2.779 855 1HE LYS 109 1HE LYS 109 1.489 -22.310 2.282 856 2HE LYS 109 2HE LYS 109 1.066 -21.251 0.920 857 1HZ LYS 109 1HZ LYS 109 3.161 -21.801 -0.074 858 2HZ LYS 109 2HZ LYS 109 3.545 -22.793 1.186 859 3HZ LYS 109 3HZ LYS 109 2.271 -23.160 0.206 860 H GLY 110 H GLY 110 2.343 -15.553 3.502 861 1HA GLY 110 1HA GLY 110 2.662 -13.430 4.452 862 2HA GLY 110 2HA GLY 110 3.037 -14.143 6.029 863 H PHE 111 H PHE 111 4.612 -12.218 5.215 864 HA PHE 111 HA PHE 111 7.174 -13.545 5.187 865 1HB PHE 111 1HB PHE 111 8.125 -12.391 3.286 866 2HB PHE 111 2HB PHE 111 6.799 -13.410 2.757 867 HD1 PHE 111 HD1 PHE 111 4.615 -12.382 2.051 868 HD2 PHE 111 HD2 PHE 111 8.067 -9.979 2.994 869 HE1 PHE 111 HE1 PHE 111 3.600 -10.456 0.865 870 HE2 PHE 111 HE2 PHE 111 7.030 -8.044 1.844 871 HZ PHE 111 1HZ PHE 111 4.798 -8.278 0.779 872 H VAL 112 H VAL 112 8.582 -12.387 6.391 873 HA VAL 112 HA VAL 112 7.897 -9.765 7.478 874 HB VAL 112 HB VAL 112 10.346 -11.569 7.595 875 1HG1 VAL 112 1HG1 VAL 112 9.985 -8.759 8.676 876 2HG1 VAL 112 2HG1 VAL 112 11.193 -9.896 9.315 877 3HG1 VAL 112 3HG1 VAL 112 11.287 -9.359 7.634 878 1HG2 VAL 112 1HG2 VAL 112 8.370 -12.208 8.972 879 2HG2 VAL 112 2HG2 VAL 112 9.731 -11.698 9.983 880 3HG2 VAL 112 3HG2 VAL 112 8.369 -10.592 9.709 881 H VAL 113 H VAL 113 8.401 -7.833 6.544 882 HA VAL 113 HA VAL 113 9.263 -7.570 3.880 883 HB VAL 113 HB VAL 113 9.279 -5.560 6.155 884 1HG1 VAL 113 1HG1 VAL 113 9.504 -5.130 3.138 885 2HG1 VAL 113 2HG1 VAL 113 9.298 -3.852 4.353 886 3HG1 VAL 113 3HG1 VAL 113 10.784 -4.810 4.326 887 1HG2 VAL 113 1HG2 VAL 113 7.280 -6.090 3.906 888 2HG2 VAL 113 2HG2 VAL 113 7.026 -6.463 5.620 889 3HG2 VAL 113 3HG2 VAL 113 7.178 -4.782 5.102 890 HA PRO 114 HA PRO 114 13.206 -9.012 5.131 891 1HB PRO 114 1HB PRO 114 14.464 -9.469 2.749 892 2HB PRO 114 2HB PRO 114 13.008 -10.338 3.283 893 1HG PRO 114 1HG PRO 114 13.081 -7.934 1.433 894 2HG PRO 114 2HG PRO 114 12.261 -9.500 1.182 895 1HD PRO 114 1HD PRO 114 10.947 -7.332 2.184 896 2HD PRO 114 2HD PRO 114 10.603 -8.991 2.755 897 H ASP 115 H ASP 115 14.705 -7.376 2.387 898 HA ASP 115 HA ASP 115 15.807 -5.194 3.979 899 1HB ASP 115 1HB ASP 115 17.150 -7.142 4.737 900 2HB ASP 115 2HB ASP 115 17.513 -7.551 3.057 901 H LEU 116 H LEU 116 16.944 -3.723 2.730 902 HA LEU 116 HA LEU 116 16.550 -3.888 -0.224 903 1HB LEU 116 1HB LEU 116 16.699 -1.410 -0.105 904 2HB LEU 116 2HB LEU 116 15.283 -2.120 0.652 905 HG LEU 116 HG LEU 116 17.586 -1.643 2.505 906 1HD1 LEU 116 1HD1 LEU 116 15.987 0.645 1.296 907 2HD1 LEU 116 2HD1 LEU 116 17.016 0.758 2.741 908 3HD1 LEU 116 3HD1 LEU 116 17.741 0.374 1.175 909 1HD2 LEU 116 1HD2 LEU 116 15.337 -2.480 3.293 910 2HD2 LEU 116 2HD2 LEU 116 15.776 -0.921 4.004 911 3HD2 LEU 116 3HD2 LEU 116 14.603 -0.990 2.674 912 H SER 117 H SER 117 18.520 -5.385 0.426 913 HA SER 117 HA SER 117 20.749 -5.793 0.495 914 1HB SER 117 1HB SER 117 19.989 -5.925 -1.800 915 2HB SER 117 2HB SER 117 20.374 -4.224 -2.078 916 HG SER 117 HG SER 117 22.204 -6.268 -1.333 917 H GLU 118 H GLU 118 21.715 -2.964 -1.280 918 HA GLU 118 HA GLU 118 22.664 -1.421 0.978 919 1HB GLU 118 1HB GLU 118 24.300 -3.287 0.992 920 2HB GLU 118 2HB GLU 118 24.672 -2.987 -0.714 921 1HG GLU 118 1HG GLU 118 25.518 -0.728 -0.136 922 2HG GLU 118 2HG GLU 118 25.056 -0.981 1.556 923 H HIS 119 H HIS 119 23.232 -2.215 -2.488 924 HA HIS 119 HA HIS 119 23.923 0.399 -3.326 925 1HB HIS 119 1HB HIS 119 23.538 -0.439 -5.580 926 2HB HIS 119 2HB HIS 119 24.452 -1.598 -4.612 927 HD1 HIS 119 HD1 HIS 119 23.046 -3.839 -3.817 928 HD2 HIS 119 HD2 HIS 119 21.194 -1.236 -6.558 929 HE1 HIS 119 HE1 HIS 119 21.055 -5.104 -4.805 930 H ILE 120 H ILE 120 20.780 -1.306 -3.231 931 HA ILE 120 HA ILE 120 19.365 1.022 -4.261 932 HB ILE 120 HB ILE 120 18.532 -0.991 -5.090 933 1HG1 ILE 120 1HG1 ILE 120 16.206 -1.079 -4.337 934 2HG1 ILE 120 2HG1 ILE 120 16.634 -0.205 -2.853 935 1HG2 ILE 120 1HG2 ILE 120 19.391 -2.626 -3.475 936 2HG2 ILE 120 2HG2 ILE 120 18.196 -2.094 -2.276 937 3HG2 ILE 120 3HG2 ILE 120 17.675 -2.862 -3.779 938 1HD1 ILE 120 1HD1 ILE 120 17.277 1.780 -4.300 939 2HD1 ILE 120 2HD1 ILE 120 16.682 0.873 -5.705 940 3HD1 ILE 120 3HD1 ILE 120 15.582 1.333 -4.391 941 H LYS 121 H LYS 121 19.006 2.697 -2.964 942 HA LYS 121 HA LYS 121 17.888 2.253 -0.249 943 1HB LYS 121 1HB LYS 121 20.279 3.972 -0.962 944 2HB LYS 121 2HB LYS 121 19.294 4.248 0.497 945 1HG LYS 121 1HG LYS 121 19.849 2.111 1.398 946 2HG LYS 121 2HG LYS 121 20.615 1.593 -0.108 947 1HD LYS 121 1HD LYS 121 22.263 2.143 1.573 948 2HD LYS 121 2HD LYS 121 22.431 3.171 0.149 949 1HE LYS 121 1HE LYS 121 20.876 4.115 2.592 950 2HE LYS 121 2HE LYS 121 22.644 4.206 2.534 951 1HZ LYS 121 1HZ LYS 121 22.503 5.512 0.574 952 2HZ LYS 121 2HZ LYS 121 20.858 5.483 0.600 953 3HZ LYS 121 3HZ LYS 121 21.686 6.226 1.813 954 H ASN 122 H ASN 122 16.477 2.681 -2.631 955 HA ASN 122 HA ASN 122 14.878 4.792 -1.486 956 1HB ASN 122 1HB ASN 122 14.518 6.081 -3.519 957 2HB ASN 122 2HB ASN 122 16.164 6.174 -2.932 958 1HD2 ASN 122 1HD2 ASN 122 16.873 5.828 -6.431 959 2HD2 ASN 122 2HD2 ASN 122 16.572 6.990 -5.158 960 HA PRO 123 HA PRO 123 12.443 1.213 -3.491 961 1HB PRO 123 1HB PRO 123 11.954 0.731 -0.550 962 2HB PRO 123 2HB PRO 123 11.865 -0.447 -1.897 963 1HG PRO 123 1HG PRO 123 14.044 -0.377 -0.314 964 2HG PRO 123 2HG PRO 123 14.258 -0.460 -2.092 965 1HD PRO 123 1HD PRO 123 14.438 1.957 -0.291 966 2HD PRO 123 2HD PRO 123 15.522 1.405 -1.588 967 H GLY 124 H GLY 124 10.247 1.506 -3.773 968 1HA GLY 124 1HA GLY 124 8.807 3.569 -2.138 969 2HA GLY 124 2HA GLY 124 8.704 3.458 -3.904 970 H PHE 125 H PHE 125 8.244 1.587 -0.899 971 HA PHE 125 HA PHE 125 6.788 -0.593 -2.050 972 1HB PHE 125 1HB PHE 125 7.107 0.434 0.780 973 2HB PHE 125 2HB PHE 125 6.206 -1.023 0.362 974 HD1 PHE 125 HD1 PHE 125 7.332 -3.018 -0.566 975 HD2 PHE 125 HD2 PHE 125 9.544 0.412 0.830 976 HE1 PHE 125 HE1 PHE 125 9.353 -4.429 -0.295 977 HE2 PHE 125 HE2 PHE 125 11.547 -1.019 1.148 978 HZ PHE 125 1HZ PHE 125 11.461 -3.432 0.573 979 H ASN 126 H ASN 126 5.038 0.080 -3.255 980 HA ASN 126 HA ASN 126 2.873 1.702 -2.045 981 1HB ASN 126 1HB ASN 126 3.403 0.451 -4.752 982 2HB ASN 126 2HB ASN 126 1.798 1.025 -4.308 983 1HD2 ASN 126 1HD2 ASN 126 4.809 3.872 -4.661 984 2HD2 ASN 126 2HD2 ASN 126 5.204 2.283 -4.044 985 H LEU 127 H LEU 127 1.697 0.589 -0.543 986 HA LEU 127 HA LEU 127 0.957 -2.267 -1.020 987 1HB LEU 127 1HB LEU 127 0.715 -0.417 1.386 988 2HB LEU 127 2HB LEU 127 -0.024 -2.014 1.301 989 HG LEU 127 HG LEU 127 1.969 -2.101 2.595 990 1HD1 LEU 127 1HD1 LEU 127 1.310 -4.075 1.199 991 2HD1 LEU 127 2HD1 LEU 127 2.479 -3.544 -0.028 992 3HD1 LEU 127 3HD1 LEU 127 3.042 -4.009 1.584 993 1HD2 LEU 127 1HD2 LEU 127 3.262 -0.261 1.500 994 2HD2 LEU 127 2HD2 LEU 127 4.189 -1.754 1.773 995 3HD2 LEU 127 3HD2 LEU 127 3.626 -1.371 0.151 996 H ILE 128 H ILE 128 -0.013 -0.805 -2.966 997 HA ILE 128 HA ILE 128 -2.698 0.225 -2.290 998 HB ILE 128 HB ILE 128 -0.798 0.492 -4.604 999 1HG1 ILE 128 1HG1 ILE 128 -1.279 2.847 -4.338 1000 2HG1 ILE 128 2HG1 ILE 128 -2.604 2.490 -3.190 1001 1HG2 ILE 128 1HG2 ILE 128 -3.800 1.002 -4.740 1002 2HG2 ILE 128 2HG2 ILE 128 -2.609 1.624 -5.898 1003 3HG2 ILE 128 3HG2 ILE 128 -2.861 -0.114 -5.760 1004 1HD1 ILE 128 1HD1 ILE 128 0.357 1.942 -2.661 1005 2HD1 ILE 128 2HD1 ILE 128 -0.520 3.390 -2.133 1006 3HD1 ILE 128 3HD1 ILE 128 -0.981 1.818 -1.489 1007 H THR 129 H THR 129 -4.495 -0.816 -2.668 1008 HA THR 129 HA THR 129 -4.671 -3.111 -4.502 1009 HB THR 129 1HB THR 129 -5.191 -3.283 -1.492 1010 HG1 THR 129 HG1 THR 129 -3.030 -3.583 -2.085 1011 1HG2 THR 129 1HG2 THR 129 -5.720 -5.306 -3.705 1012 2HG2 THR 129 2HG2 THR 129 -5.774 -5.657 -1.961 1013 H LYS 130 H LYS 130 -6.744 -3.297 -5.328 1014 HA LYS 130 HA LYS 130 -8.582 -1.097 -4.922 1015 1HB LYS 130 1HB LYS 130 -8.268 -2.089 -7.092 1016 2HB LYS 130 2HB LYS 130 -8.760 -3.682 -6.517 1017 1HG LYS 130 1HG LYS 130 -10.642 -1.344 -6.199 1018 2HG LYS 130 2HG LYS 130 -10.431 -2.012 -7.812 1019 1HD LYS 130 1HD LYS 130 -11.112 -3.928 -5.561 1020 2HD LYS 130 2HD LYS 130 -12.357 -2.878 -6.230 1021 1HE LYS 130 1HE LYS 130 -12.419 -5.011 -7.341 1022 2HE LYS 130 2HE LYS 130 -11.946 -3.751 -8.490 1023 1HZ LYS 130 1HZ LYS 130 -10.115 -5.608 -7.138 1024 2HZ LYS 130 2HZ LYS 130 -10.633 -5.738 -8.698 1025 3HZ LYS 130 3HZ LYS 130 -9.688 -4.466 -8.249 1026 H VAL 131 H VAL 131 -10.423 -1.050 -3.660 1027 HA VAL 131 HA VAL 131 -11.305 -3.556 -2.333 1028 HB VAL 131 HB VAL 131 -11.519 -2.476 -0.203 1029 1HG1 VAL 131 1HG1 VAL 131 -9.358 -3.598 -0.838 1030 2HG1 VAL 131 2HG1 VAL 131 -8.690 -2.013 -1.226 1031 3HG1 VAL 131 3HG1 VAL 131 -9.194 -2.372 0.434 1032 1HG2 VAL 131 1HG2 VAL 131 -10.236 -0.010 -1.459 1033 2HG2 VAL 131 2HG2 VAL 131 -11.887 -0.136 -0.803 1034 3HG2 VAL 131 3HG2 VAL 131 -10.501 -0.266 0.277 1035 H VAL 132 H VAL 132 -13.404 -3.846 -2.174 1036 HA VAL 132 HA VAL 132 -15.212 -2.019 -3.586 1037 HB VAL 132 HB VAL 132 -15.687 -4.722 -2.256 1038 1HG1 VAL 132 1HG1 VAL 132 -17.768 -3.341 -2.643 1039 2HG1 VAL 132 2HG1 VAL 132 -17.335 -3.264 -4.364 1040 3HG1 VAL 132 3HG1 VAL 132 -17.711 -4.822 -3.608 1041 1HG2 VAL 132 1HG2 VAL 132 -15.069 -4.023 -5.160 1042 2HG2 VAL 132 2HG2 VAL 132 -14.044 -4.977 -4.065 1043 3HG2 VAL 132 3HG2 VAL 132 -15.608 -5.615 -4.584 1044 H ILE 133 H ILE 133 -16.593 -0.633 -2.552 1045 HA ILE 133 HA ILE 133 -16.663 -0.658 0.437 1046 HB ILE 133 HB ILE 133 -16.334 1.636 -1.513 1047 1HG1 ILE 133 1HG1 ILE 133 -14.631 0.511 0.760 1048 2HG1 ILE 133 2HG1 ILE 133 -14.307 0.383 -0.995 1049 1HG2 ILE 133 1HG2 ILE 133 -17.947 2.330 0.232 1050 2HG2 ILE 133 2HG2 ILE 133 -16.821 1.781 1.491 1051 3HG2 ILE 133 3HG2 ILE 133 -16.422 3.151 0.432 1052 1HD1 ILE 133 1HD1 ILE 133 -14.150 2.908 -1.055 1053 2HD1 ILE 133 2HD1 ILE 133 -14.254 2.922 0.721 1054 3HD1 ILE 133 3HD1 ILE 133 -12.901 2.114 -0.064 1055 H GLU 134 H GLU 134 -18.520 -0.618 1.375 1056 HA GLU 134 HA GLU 134 -21.066 -0.060 -0.023 1057 1HB GLU 134 1HB GLU 134 -20.916 -2.000 1.482 1058 2HB GLU 134 2HB GLU 134 -20.402 -0.960 2.817 1059 1HG GLU 134 1HG GLU 134 -22.594 0.284 2.610 1060 2HG GLU 134 2HG GLU 134 -23.084 -0.876 1.366 1061 H LYS 135 H LYS 135 -21.181 2.134 -0.339 1062 HA LYS 135 HA LYS 135 -20.137 4.079 1.519 1063 1HB LYS 135 1HB LYS 135 -21.497 5.696 0.102 1064 2HB LYS 135 2HB LYS 135 -20.163 4.831 -0.655 1065 1HG LYS 135 1HG LYS 135 -21.637 3.334 -1.819 1066 2HG LYS 135 2HG LYS 135 -23.056 3.936 -0.930 1067 1HD LYS 135 1HD LYS 135 -22.912 6.082 -2.014 1068 2HD LYS 135 2HD LYS 135 -21.293 5.734 -2.646 1069 1HE LYS 135 1HE LYS 135 -23.009 5.569 -4.407 1070 2HE LYS 135 2HE LYS 135 -22.161 4.037 -4.153 1071 1HZ LYS 135 1HZ LYS 135 -24.806 4.718 -3.079 1072 2HZ LYS 135 2HZ LYS 135 -24.509 3.736 -4.372 1073 3HZ LYS 135 3HZ LYS 135 -24.016 3.285 -2.866 1074 H LYS 136 H LYS 136 -21.151 5.318 3.001 1075 HA LYS 136 HA LYS 136 -23.930 4.596 3.864 1076 1HB LYS 136 1HB LYS 136 -21.369 4.920 5.479 1077 2HB LYS 136 2HB LYS 136 -22.997 4.893 6.187 1078 1HG LYS 136 1HG LYS 136 -23.382 2.632 5.504 1079 2HG LYS 136 2HG LYS 136 -21.967 2.622 4.444 1080 1HD LYS 136 1HD LYS 136 -21.503 1.368 6.459 1081 2HD LYS 136 2HD LYS 136 -20.449 2.786 6.341 1082 1HE LYS 136 1HE LYS 136 -21.880 3.980 7.988 1083 2HE LYS 136 2HE LYS 136 -22.949 2.565 8.074 1084 1HZ LYS 136 1HZ LYS 136 -21.090 1.313 8.890 1085 2HZ LYS 136 2HZ LYS 136 -20.105 2.632 8.795 1086 3HZ LYS 136 3HZ LYS 136 -21.371 2.624 9.852 No H/Q in entry = 1086 Start of MODEL 10 1 H SER 1 H SER 1 -14.226 10.511 7.424 2 HA SER 1 HA SER 1 -16.807 11.897 6.888 3 1HB SER 1 1HB SER 1 -13.995 13.078 6.720 4 2HB SER 1 2HB SER 1 -15.493 13.923 6.275 5 HG SER 1 HG SER 1 -16.187 13.699 8.406 6 H SER 2 H SER 2 -15.533 9.416 5.690 7 HA SER 2 HA SER 2 -14.818 8.498 3.777 8 1HB SER 2 1HB SER 2 -16.223 8.868 1.834 9 2HB SER 2 2HB SER 2 -17.183 8.858 3.310 10 HG SER 2 HG SER 2 -17.783 10.537 1.917 11 H SER 3 H SER 3 -15.016 10.396 1.210 12 HA SER 3 HA SER 3 -13.902 11.867 0.037 13 1HB SER 3 1HB SER 3 -12.587 12.793 2.619 14 2HB SER 3 2HB SER 3 -12.590 13.632 1.063 15 HG SER 3 HG SER 3 -14.881 12.938 2.574 16 H PHE 4 H PHE 4 -11.578 10.391 2.339 17 HA PHE 4 HA PHE 4 -9.343 10.115 2.247 18 1HB PHE 4 1HB PHE 4 -9.707 9.637 -0.728 19 2HB PHE 4 2HB PHE 4 -8.225 9.452 0.185 20 HD1 PHE 4 HD1 PHE 4 -10.507 8.201 2.517 21 HD2 PHE 4 HD2 PHE 4 -8.926 7.256 -1.388 22 HE1 PHE 4 HE1 PHE 4 -10.972 5.824 2.892 23 HE2 PHE 4 HE2 PHE 4 -9.376 4.861 -0.979 24 HZ PHE 4 1HZ PHE 4 -10.406 4.139 1.166 25 H ASP 5 H ASP 5 -9.995 12.323 2.855 26 HA ASP 5 HA ASP 5 -10.160 14.530 1.310 27 1HB ASP 5 1HB ASP 5 -10.755 14.394 3.680 28 2HB ASP 5 2HB ASP 5 -9.053 14.290 4.136 29 H LYS 6 H LYS 6 -7.111 13.322 2.801 30 HA LYS 6 HA LYS 6 -5.435 15.385 1.678 31 1HB LYS 6 1HB LYS 6 -4.816 12.592 2.714 32 2HB LYS 6 2HB LYS 6 -3.616 13.764 2.161 33 1HG LYS 6 1HG LYS 6 -3.567 13.966 4.458 34 2HG LYS 6 2HG LYS 6 -4.506 15.372 3.940 35 1HD LYS 6 1HD LYS 6 -6.589 14.257 4.633 36 2HD LYS 6 2HD LYS 6 -5.703 12.741 4.929 37 1HE LYS 6 1HE LYS 6 -4.429 13.855 6.736 38 2HE LYS 6 2HE LYS 6 -5.317 15.362 6.430 39 1HZ LYS 6 1HZ LYS 6 -7.328 14.211 6.994 40 2HZ LYS 6 2HZ LYS 6 -6.501 12.812 7.274 41 3HZ LYS 6 3HZ LYS 6 -6.247 14.128 8.236 42 H GLY 7 H GLY 7 -5.403 15.663 -0.483 43 1HA GLY 7 1HA GLY 7 -6.020 13.509 -2.358 44 2HA GLY 7 2HA GLY 7 -5.750 15.222 -2.702 45 H LYS 8 H LYS 8 -4.118 12.168 -1.920 46 HA LYS 8 HA LYS 8 -2.078 11.342 -2.288 47 1HB LYS 8 1HB LYS 8 -2.182 13.155 -4.726 48 2HB LYS 8 2HB LYS 8 -1.002 11.858 -4.471 49 1HG LYS 8 1HG LYS 8 -2.785 10.195 -4.307 50 2HG LYS 8 2HG LYS 8 -4.026 11.432 -4.568 51 1HD LYS 8 1HD LYS 8 -1.824 10.717 -6.557 52 2HD LYS 8 2HD LYS 8 -3.476 10.081 -6.585 53 1HE LYS 8 1HE LYS 8 -4.355 12.417 -6.803 54 2HE LYS 8 2HE LYS 8 -2.683 13.005 -6.931 55 1HZ LYS 8 1HZ LYS 8 -3.967 11.097 -8.742 56 2HZ LYS 8 2HZ LYS 8 -3.666 12.688 -9.054 57 3HZ LYS 8 3HZ LYS 8 -2.413 11.636 -8.853 58 H TYR 9 H TYR 9 -1.807 12.732 -0.252 59 HA TYR 9 HA TYR 9 0.047 14.976 -0.452 60 1HB TYR 9 1HB TYR 9 -1.683 15.047 1.201 61 2HB TYR 9 2HB TYR 9 -1.259 13.453 1.816 62 HD1 TYR 9 HD1 TYR 9 0.583 16.699 1.180 63 HD2 TYR 9 HD2 TYR 9 -0.292 13.495 3.936 64 HE1 TYR 9 HE1 TYR 9 2.018 17.772 2.889 65 HE2 TYR 9 HE2 TYR 9 1.116 14.587 5.649 66 HH TYR 9 HH TYR 9 2.492 16.363 6.151 67 H LYS 10 H LYS 10 0.124 11.859 1.275 68 HA LYS 10 HA LYS 10 1.721 10.606 2.137 69 1HB LYS 10 1HB LYS 10 3.083 9.438 0.603 70 2HB LYS 10 2HB LYS 10 1.520 9.730 -0.134 71 1HG LYS 10 1HG LYS 10 3.709 11.717 -0.737 72 2HG LYS 10 2HG LYS 10 3.924 10.100 -1.371 73 1HD LYS 10 1HD LYS 10 1.328 11.607 -1.826 74 2HD LYS 10 2HD LYS 10 2.737 11.866 -2.859 75 1HE LYS 10 1HE LYS 10 1.448 9.149 -2.385 76 2HE LYS 10 2HE LYS 10 1.082 10.216 -3.749 77 1HZ LYS 10 1HZ LYS 10 3.372 10.094 -4.390 78 2HZ LYS 10 2HZ LYS 10 3.707 9.064 -3.146 79 3HZ LYS 10 3HZ LYS 10 2.683 8.596 -4.348 80 H LYS 11 H LYS 11 2.269 13.456 2.564 81 HA LYS 11 HA LYS 11 3.806 14.908 3.248 82 1HB LYS 11 1HB LYS 11 5.458 12.438 3.935 83 2HB LYS 11 2HB LYS 11 5.842 14.103 4.396 84 1HG LYS 11 1HG LYS 11 3.661 14.261 5.582 85 2HG LYS 11 2HG LYS 11 3.332 12.564 5.163 86 1HD LYS 11 1HD LYS 11 5.417 11.904 6.402 87 2HD LYS 11 2HD LYS 11 5.692 13.606 6.799 88 1HE LYS 11 1HE LYS 11 4.680 12.484 8.696 89 2HE LYS 11 2HE LYS 11 3.543 13.675 8.040 90 1HZ LYS 11 1HZ LYS 11 3.487 10.784 7.512 91 2HZ LYS 11 2HZ LYS 11 2.496 11.589 8.555 92 3HZ LYS 11 3HZ LYS 11 2.408 11.890 6.938 93 H GLY 12 H GLY 12 6.304 12.684 2.111 94 1HA GLY 12 1HA GLY 12 6.758 13.588 -0.486 95 2HA GLY 12 2HA GLY 12 7.705 14.644 0.592 96 H ASP 13 H ASP 13 8.584 13.203 2.567 97 HA ASP 13 HA ASP 13 10.114 11.782 3.317 98 1HB ASP 13 1HB ASP 13 8.012 10.369 2.926 99 2HB ASP 13 2HB ASP 13 8.823 9.690 1.514 100 H ASP 14 H ASP 14 11.034 13.371 1.201 101 HA ASP 14 HA ASP 14 12.566 13.616 -0.451 102 1HB ASP 14 1HB ASP 14 13.997 11.673 1.407 103 2HB ASP 14 2HB ASP 14 14.788 12.665 0.179 104 H ALA 15 H ALA 15 10.893 12.390 -1.831 105 HA ALA 15 HA ALA 15 12.230 10.149 -3.201 106 1HB ALA 15 1HB ALA 15 10.832 9.180 -1.358 107 2HB ALA 15 2HB ALA 15 9.409 9.992 -2.040 108 3HB ALA 15 3HB ALA 15 10.229 8.711 -2.951 109 H SER 16 H SER 16 10.469 9.300 -4.915 110 HA SER 16 HA SER 16 9.505 9.617 -6.897 111 1HB SER 16 1HB SER 16 8.519 12.301 -5.832 112 2HB SER 16 2HB SER 16 7.939 11.439 -7.263 113 HG SER 16 HG SER 16 7.871 10.487 -4.592 114 H TYR 17 H TYR 17 11.621 9.557 -7.738 115 HA TYR 17 HA TYR 17 13.434 10.206 -8.891 116 1HB TYR 17 1HB TYR 17 11.503 12.296 -9.944 117 2HB TYR 17 2HB TYR 17 13.105 11.983 -10.604 118 HD1 TYR 17 HD1 TYR 17 13.687 9.780 -11.609 119 HD2 TYR 17 HD2 TYR 17 9.661 10.721 -10.386 120 HE1 TYR 17 HE1 TYR 17 12.830 7.920 -13.002 121 HE2 TYR 17 HE2 TYR 17 8.805 8.866 -11.790 122 HH TYR 17 HH TYR 17 9.334 7.198 -13.291 123 H PHE 18 H PHE 18 14.116 10.660 -6.605 124 HA PHE 18 HA PHE 18 15.616 13.177 -6.658 125 1HB PHE 18 1HB PHE 18 13.517 13.622 -5.365 126 2HB PHE 18 2HB PHE 18 13.914 12.288 -4.288 127 HD1 PHE 18 HD1 PHE 18 15.496 15.439 -5.668 128 HD2 PHE 18 HD2 PHE 18 14.920 12.886 -2.243 129 HE1 PHE 18 HE1 PHE 18 16.846 16.988 -4.280 130 HE2 PHE 18 HE2 PHE 18 16.268 14.442 -0.858 131 HZ PHE 18 1HZ PHE 18 17.236 16.492 -1.876 132 H GLU 19 H GLU 19 16.257 10.408 -7.230 133 HA GLU 19 HA GLU 19 17.835 8.895 -6.900 134 1HB GLU 19 1HB GLU 19 18.999 11.269 -5.419 135 2HB GLU 19 2HB GLU 19 19.817 9.731 -5.274 136 1HG GLU 19 1HG GLU 19 19.911 9.533 -7.748 137 2HG GLU 19 2HG GLU 19 19.105 11.106 -7.897 138 HA PRO 20 HA PRO 20 17.024 6.386 -3.336 139 1HB PRO 20 1HB PRO 20 19.329 4.975 -2.907 140 2HB PRO 20 2HB PRO 20 18.257 4.704 -4.309 141 1HG PRO 20 1HG PRO 20 20.737 6.447 -4.207 142 2HG PRO 20 2HG PRO 20 20.361 5.140 -5.362 143 1HD PRO 20 1HD PRO 20 19.838 7.703 -5.997 144 2HD PRO 20 2HD PRO 20 18.625 6.462 -6.380 145 H THR 21 H THR 21 16.638 7.956 -1.833 146 HA THR 21 HA THR 21 18.831 8.776 0.005 147 HB THR 21 HB THR 21 17.853 11.061 -0.001 148 HG1 THR 21 HG1 THR 21 16.452 10.148 -2.290 149 1HG2 THR 21 1HG2 THR 21 18.849 11.834 -2.082 150 2HG2 THR 21 2HG2 THR 21 19.864 10.567 -1.365 151 H GLY 22 H GLY 22 15.291 8.631 -0.614 152 1HA GLY 22 1HA GLY 22 14.803 8.319 2.338 153 2HA GLY 22 2HA GLY 22 13.908 9.410 1.300 154 HA PRO 23 HA PRO 23 12.620 4.699 0.338 155 1HB PRO 23 1HB PRO 23 13.253 4.004 3.218 156 2HB PRO 23 2HB PRO 23 13.154 2.893 1.820 157 1HG PRO 23 1HG PRO 23 15.560 3.709 2.738 158 2HG PRO 23 2HG PRO 23 15.248 3.771 0.979 159 1HD PRO 23 1HD PRO 23 15.068 6.032 2.992 160 2HD PRO 23 2HD PRO 23 15.857 6.021 1.388 161 H TYR 24 H TYR 24 10.474 4.003 0.892 162 HA TYR 24 HA TYR 24 9.121 5.224 3.203 163 1HB TYR 24 1HB TYR 24 7.370 6.243 1.902 164 2HB TYR 24 2HB TYR 24 8.917 6.909 1.411 165 HD1 TYR 24 HD1 TYR 24 6.181 4.574 0.402 166 HD2 TYR 24 HD2 TYR 24 9.681 6.753 -0.867 167 HE1 TYR 24 HE1 TYR 24 5.638 4.067 -1.946 168 HE2 TYR 24 HE2 TYR 24 9.054 6.350 -3.233 169 HH TYR 24 HH TYR 24 7.612 5.310 -4.678 170 H LEU 25 H LEU 25 6.761 4.508 3.203 171 HA LEU 25 HA LEU 25 6.195 1.965 1.913 172 1HB LEU 25 1HB LEU 25 7.542 1.366 3.891 173 2HB LEU 25 2HB LEU 25 6.364 2.111 4.960 174 HG LEU 25 HG LEU 25 5.345 0.051 3.001 175 1HD1 LEU 25 1HD1 LEU 25 7.033 -0.707 5.421 176 2HD1 LEU 25 2HD1 LEU 25 6.094 -1.828 4.412 177 3HD1 LEU 25 3HD1 LEU 25 7.478 -0.968 3.719 178 1HD2 LEU 25 1HD2 LEU 25 4.867 0.501 5.983 179 2HD2 LEU 25 2HD2 LEU 25 3.829 1.055 4.655 180 3HD2 LEU 25 3HD2 LEU 25 4.018 -0.674 4.954 181 H MET 26 H MET 26 4.513 3.019 0.915 182 HA MET 26 HA MET 26 2.540 4.612 2.355 183 1HB MET 26 1HB MET 26 2.918 3.686 -0.501 184 2HB MET 26 2HB MET 26 1.397 4.426 0.029 185 1HG MET 26 1HG MET 26 2.423 6.464 0.596 186 2HG MET 26 2HG MET 26 4.056 5.774 0.559 187 1HE MET 26 1HE MET 26 0.953 6.892 -1.520 188 2HE MET 26 2HE MET 26 1.537 6.715 -3.194 189 3HE MET 26 3HE MET 26 1.234 5.273 -2.205 190 H VAL 27 H VAL 27 0.467 4.044 2.875 191 HA VAL 27 HA VAL 27 -0.328 1.172 2.703 192 HB VAL 27 HB VAL 27 -0.384 2.894 5.220 193 1HG1 VAL 27 1HG1 VAL 27 -2.186 1.158 5.048 194 2HG1 VAL 27 2HG1 VAL 27 -0.939 -0.080 4.798 195 3HG1 VAL 27 3HG1 VAL 27 -1.027 0.805 6.334 196 1HG2 VAL 27 1HG2 VAL 27 1.479 0.626 4.418 197 2HG2 VAL 27 2HG2 VAL 27 1.918 2.323 4.756 198 3HG2 VAL 27 3HG2 VAL 27 1.332 1.292 6.058 199 H ASN 28 H ASN 28 -1.923 1.571 1.205 200 HA ASN 28 HA ASN 28 -4.344 2.963 2.172 201 1HB ASN 28 1HB ASN 28 -2.775 3.710 -0.332 202 2HB ASN 28 2HB ASN 28 -4.483 4.107 -0.137 203 1HD2 ASN 28 1HD2 ASN 28 -4.044 6.742 2.179 204 2HD2 ASN 28 2HD2 ASN 28 -5.168 5.585 1.505 205 H VAL 29 H VAL 29 -6.095 2.698 0.458 206 HA VAL 29 HA VAL 29 -6.018 -0.027 -0.761 207 HB VAL 29 HB VAL 29 -8.467 -0.049 -0.432 208 1HG1 VAL 29 1HG1 VAL 29 -6.982 -1.052 1.253 209 2HG1 VAL 29 2HG1 VAL 29 -7.000 0.475 2.164 210 3HG1 VAL 29 3HG1 VAL 29 -8.498 -0.448 1.948 211 1HG2 VAL 29 1HG2 VAL 29 -8.903 2.396 -0.443 212 2HG2 VAL 29 2HG2 VAL 29 -9.609 1.574 0.950 213 3HG2 VAL 29 3HG2 VAL 29 -8.129 2.530 1.151 214 H THR 30 H THR 30 -8.099 0.081 -2.432 215 HA THR 30 HA THR 30 -8.059 2.669 -3.893 216 HB THR 30 1HB THR 30 -8.487 0.028 -5.321 217 HG1 THR 30 HG1 THR 30 -6.356 0.089 -4.564 218 1HG2 THR 30 1HG2 THR 30 -8.132 1.404 -7.297 219 2HG2 THR 30 2HG2 THR 30 -9.389 2.175 -6.309 220 H GLY 31 H GLY 31 -9.857 3.541 -3.068 221 1HA GLY 31 1HA GLY 31 -12.079 1.949 -2.101 222 2HA GLY 31 2HA GLY 31 -11.892 3.710 -2.083 223 H VAL 32 H VAL 32 -12.824 0.934 -4.091 224 HA VAL 32 HA VAL 32 -14.036 2.722 -6.123 225 HB VAL 32 HB VAL 32 -14.016 0.857 -7.609 226 1HG1 VAL 32 1HG1 VAL 32 -11.879 2.109 -7.336 227 2HG1 VAL 32 2HG1 VAL 32 -11.350 0.904 -6.143 228 3HG1 VAL 32 3HG1 VAL 32 -11.625 0.424 -7.815 229 1HG2 VAL 32 1HG2 VAL 32 -14.584 -0.987 -6.066 230 2HG2 VAL 32 2HG2 VAL 32 -13.145 -1.347 -7.021 231 3HG2 VAL 32 3HG2 VAL 32 -12.980 -0.855 -5.321 232 H ASP 33 H ASP 33 -16.011 1.767 -7.188 233 HA ASP 33 HA ASP 33 -18.171 1.706 -5.339 234 1HB ASP 33 1HB ASP 33 -19.568 1.414 -7.276 235 2HB ASP 33 2HB ASP 33 -18.324 2.613 -7.633 236 H SER 34 H SER 34 -16.724 -0.784 -7.407 237 HA SER 34 HA SER 34 -16.973 -3.048 -5.744 238 1HB SER 34 1HB SER 34 -19.247 -2.592 -7.735 239 2HB SER 34 2HB SER 34 -18.713 -4.216 -7.267 240 HG SER 34 HG SER 34 -19.635 -2.228 -5.490 241 H LYS 35 H LYS 35 -17.433 -1.987 -9.130 242 HA LYS 35 HA LYS 35 -15.915 -4.124 -10.284 243 1HB LYS 35 1HB LYS 35 -16.788 -1.451 -11.467 244 2HB LYS 35 2HB LYS 35 -16.236 -2.862 -12.376 245 1HG LYS 35 1HG LYS 35 -18.770 -2.692 -10.673 246 2HG LYS 35 2HG LYS 35 -18.665 -2.598 -12.432 247 1HD LYS 35 1HD LYS 35 -17.696 -4.913 -12.477 248 2HD LYS 35 2HD LYS 35 -17.963 -5.022 -10.721 249 1HE LYS 35 1HE LYS 35 -20.383 -4.636 -11.056 250 2HE LYS 35 2HE LYS 35 -20.127 -4.530 -12.810 251 1HZ LYS 35 1HZ LYS 35 -19.567 -6.875 -11.141 252 2HZ LYS 35 2HZ LYS 35 -20.856 -6.688 -12.153 253 3HZ LYS 35 3HZ LYS 35 -19.328 -6.772 -12.769 254 H GLY 36 H GLY 36 -15.253 -0.580 -10.145 255 1HA GLY 36 1HA GLY 36 -12.456 -0.792 -9.635 256 2HA GLY 36 2HA GLY 36 -12.735 -0.785 -11.384 257 H ASN 37 H ASN 37 -15.248 0.997 -10.799 258 HA ASN 37 HA ASN 37 -14.025 3.465 -11.453 259 1HB ASN 37 1HB ASN 37 -16.842 3.001 -10.385 260 2HB ASN 37 2HB ASN 37 -16.252 4.401 -11.279 261 1HD2 ASN 37 1HD2 ASN 37 -17.314 0.941 -13.242 262 2HD2 ASN 37 2HD2 ASN 37 -17.250 1.018 -11.495 263 H GLU 38 H GLU 38 -12.804 4.632 -10.096 264 HA GLU 38 HA GLU 38 -12.818 4.236 -7.260 265 1HB GLU 38 1HB GLU 38 -10.804 4.586 -8.609 266 2HB GLU 38 2HB GLU 38 -11.328 6.236 -8.991 267 1HG GLU 38 1HG GLU 38 -11.242 6.820 -6.577 268 2HG GLU 38 2HG GLU 38 -10.768 5.156 -6.190 269 H LEU 39 H LEU 39 -14.025 5.244 -5.768 270 HA LEU 39 HA LEU 39 -15.426 7.784 -6.329 271 1HB LEU 39 1HB LEU 39 -15.337 5.957 -3.882 272 2HB LEU 39 2HB LEU 39 -16.115 7.540 -3.939 273 HG LEU 39 HG LEU 39 -17.490 6.645 -5.930 274 1HD1 LEU 39 1HD1 LEU 39 -16.532 4.016 -4.701 275 2HD1 LEU 39 2HD1 LEU 39 -17.890 4.185 -5.830 276 3HD1 LEU 39 3HD1 LEU 39 -16.253 4.552 -6.372 277 1HD2 LEU 39 1HD2 LEU 39 -17.861 5.533 -3.115 278 2HD2 LEU 39 2HD2 LEU 39 -18.414 7.116 -3.706 279 3HD2 LEU 39 3HD2 LEU 39 -19.123 5.631 -4.363 280 H LEU 40 H LEU 40 -13.222 6.544 -3.776 281 HA LEU 40 HA LEU 40 -12.467 9.308 -3.088 282 1HB LEU 40 1HB LEU 40 -11.848 6.726 -1.633 283 2HB LEU 40 2HB LEU 40 -11.811 8.384 -1.003 284 HG LEU 40 HG LEU 40 -14.254 6.726 -1.743 285 1HD1 LEU 40 1HD1 LEU 40 -13.165 6.197 0.406 286 2HD1 LEU 40 2HD1 LEU 40 -13.287 7.900 0.896 287 3HD1 LEU 40 3HD1 LEU 40 -14.757 6.935 0.649 288 1HD2 LEU 40 1HD2 LEU 40 -14.096 9.639 -0.871 289 2HD2 LEU 40 2HD2 LEU 40 -14.763 9.035 -2.394 290 3HD2 LEU 40 3HD2 LEU 40 -15.582 8.669 -0.871 291 H SER 41 H SER 41 -10.420 10.103 -3.249 292 HA SER 41 HA SER 41 -8.557 8.815 -5.061 293 1HB SER 41 1HB SER 41 -8.554 11.509 -3.699 294 2HB SER 41 2HB SER 41 -7.397 10.961 -4.932 295 HG SER 41 HG SER 41 -9.187 10.627 -6.322 296 HA PRO 42 HA PRO 42 -6.533 7.483 -1.158 297 1HB PRO 42 1HB PRO 42 -5.334 5.173 -2.426 298 2HB PRO 42 2HB PRO 42 -6.753 5.236 -1.365 299 1HG PRO 42 1HG PRO 42 -6.804 4.603 -4.106 300 2HG PRO 42 2HG PRO 42 -8.197 5.200 -3.153 301 1HD PRO 42 1HD PRO 42 -6.287 6.775 -4.882 302 2HD PRO 42 2HD PRO 42 -8.055 6.818 -4.818 303 H HIS 43 H HIS 43 -4.142 6.237 -0.926 304 HA HIS 43 HA HIS 43 -1.917 6.205 -1.133 305 1HB HIS 43 1HB HIS 43 -2.166 7.667 -3.778 306 2HB HIS 43 2HB HIS 43 -0.884 6.596 -3.231 307 HD1 HIS 43 HD1 HIS 43 -2.334 4.020 -2.406 308 HD2 HIS 43 HD2 HIS 43 -3.633 6.505 -5.542 309 HE1 HIS 43 HE1 HIS 43 -3.920 2.626 -3.845 310 H TYR 44 H TYR 44 -2.545 7.885 0.695 311 HA TYR 44 HA TYR 44 -1.093 10.445 0.210 312 1HB TYR 44 1HB TYR 44 -2.924 11.618 1.328 313 2HB TYR 44 2HB TYR 44 -3.442 10.822 -0.149 314 HD1 TYR 44 HD1 TYR 44 -3.507 10.538 3.600 315 HD2 TYR 44 HD2 TYR 44 -5.203 9.227 -0.135 316 HE1 TYR 44 HE1 TYR 44 -5.207 9.229 4.831 317 HE2 TYR 44 HE2 TYR 44 -6.832 7.821 1.109 318 HH TYR 44 HH TYR 44 -7.674 7.244 3.141 319 H VAL 45 H VAL 45 -1.301 7.718 2.229 320 HA VAL 45 HA VAL 45 0.070 9.215 4.406 321 HB VAL 45 HB VAL 45 -2.240 8.781 5.097 322 1HG1 VAL 45 1HG1 VAL 45 -2.703 6.728 3.785 323 2HG1 VAL 45 2HG1 VAL 45 -1.585 5.816 4.824 324 3HG1 VAL 45 3HG1 VAL 45 -3.065 6.517 5.503 325 1HG2 VAL 45 1HG2 VAL 45 -0.389 8.787 6.757 326 2HG2 VAL 45 2HG2 VAL 45 -1.750 7.759 7.238 327 3HG2 VAL 45 3HG2 VAL 45 -0.269 7.020 6.610 328 H GLU 46 H GLU 46 1.770 8.184 5.371 329 HA GLU 46 HA GLU 46 2.605 5.528 4.479 330 1HB GLU 46 1HB GLU 46 4.730 6.417 3.457 331 2HB GLU 46 2HB GLU 46 3.261 6.807 2.579 332 1HG GLU 46 1HG GLU 46 4.776 8.681 2.572 333 2HG GLU 46 2HG GLU 46 3.249 9.087 3.359 334 H PHE 47 H PHE 47 4.939 5.172 5.151 335 HA PHE 47 HA PHE 47 5.648 6.408 7.738 336 1HB PHE 47 1HB PHE 47 5.569 3.415 7.159 337 2HB PHE 47 2HB PHE 47 6.129 4.158 8.651 338 HD1 PHE 47 HD1 PHE 47 4.482 5.386 10.139 339 HD2 PHE 47 HD2 PHE 47 3.214 3.067 6.735 340 HE1 PHE 47 HE1 PHE 47 2.148 5.423 10.979 341 HE2 PHE 47 HE2 PHE 47 0.872 3.135 7.568 342 HZ PHE 47 1HZ PHE 47 0.342 4.301 9.691 343 HA PRO 48 HA PRO 48 9.550 6.234 5.563 344 1HB PRO 48 1HB PRO 48 11.343 6.879 7.473 345 2HB PRO 48 2HB PRO 48 9.988 7.962 7.074 346 1HG PRO 48 1HG PRO 48 10.060 5.903 9.307 347 2HG PRO 48 2HG PRO 48 9.722 7.655 9.458 348 1HD PRO 48 1HD PRO 48 7.711 5.823 9.208 349 2HD PRO 48 2HD PRO 48 7.612 7.428 8.426 350 H ILE 49 H ILE 49 8.473 3.614 6.355 351 HA ILE 49 HA ILE 49 8.865 1.526 6.521 352 HB ILE 49 HB ILE 49 9.761 2.059 4.320 353 1HG1 ILE 49 1HG1 ILE 49 11.268 -0.323 5.455 354 2HG1 ILE 49 2HG1 ILE 49 9.487 -0.295 5.303 355 1HG2 ILE 49 1HG2 ILE 49 12.493 1.949 5.664 356 2HG2 ILE 49 2HG2 ILE 49 12.236 1.834 3.917 357 3HG2 ILE 49 3HG2 ILE 49 11.761 3.297 4.758 358 1HD1 ILE 49 1HD1 ILE 49 9.737 0.153 2.861 359 2HD1 ILE 49 2HD1 ILE 49 11.499 -0.039 3.010 360 3HD1 ILE 49 3HD1 ILE 49 10.428 -1.397 3.379 361 H LYS 50 H LYS 50 9.798 -0.320 7.438 362 HA LYS 50 HA LYS 50 12.296 -0.159 8.830 363 1HB LYS 50 1HB LYS 50 11.402 -0.787 11.073 364 2HB LYS 50 2HB LYS 50 11.136 0.885 10.581 365 1HG LYS 50 1HG LYS 50 8.784 0.346 9.977 366 2HG LYS 50 2HG LYS 50 9.030 -1.319 10.543 367 1HD LYS 50 1HD LYS 50 9.611 -0.486 12.789 368 2HD LYS 50 2HD LYS 50 9.360 1.184 12.251 369 1HE LYS 50 1HE LYS 50 7.222 -0.998 12.249 370 2HE LYS 50 2HE LYS 50 7.420 0.239 13.504 371 1HZ LYS 50 1HZ LYS 50 7.040 1.908 11.846 372 2HZ LYS 50 2HZ LYS 50 6.820 0.759 10.682 373 3HZ LYS 50 3HZ LYS 50 5.765 0.867 11.943 374 HA PRO 51 HA PRO 51 11.528 -4.417 7.500 375 1HB PRO 51 1HB PRO 51 14.042 -5.410 7.636 376 2HB PRO 51 2HB PRO 51 13.592 -4.153 6.449 377 1HG PRO 51 1HG PRO 51 14.900 -3.756 9.158 378 2HG PRO 51 2HG PRO 51 15.459 -3.127 7.578 379 1HD PRO 51 1HD PRO 51 13.937 -1.643 9.301 380 2HD PRO 51 2HD PRO 51 13.743 -1.505 7.525 381 H GLY 52 H GLY 52 12.257 -6.683 8.438 382 1HA GLY 52 1HA GLY 52 12.602 -8.095 10.264 383 2HA GLY 52 2HA GLY 52 12.427 -6.753 11.398 384 H THR 53 H THR 53 9.939 -5.738 10.129 385 HA THR 53 HA THR 53 8.005 -7.212 11.573 386 HB THR 53 HB THR 53 7.887 -4.800 11.056 387 HG1 THR 53 HG1 THR 53 5.715 -6.310 10.051 388 1HG2 THR 53 1HG2 THR 53 7.070 -5.607 8.228 389 2HG2 THR 53 2HG2 THR 53 7.152 -3.975 8.904 390 H THR 54 H THR 54 6.375 -8.615 10.907 391 HA THR 54 HA THR 54 6.841 -10.236 8.540 392 HB THR 54 HB THR 54 4.544 -10.201 10.537 393 HG1 THR 54 HG1 THR 54 5.708 -11.974 11.384 394 1HG2 THR 54 1HG2 THR 54 5.375 -12.268 8.445 395 2HG2 THR 54 2HG2 THR 54 4.182 -12.544 9.731 396 H LEU 55 H LEU 55 5.579 -10.293 6.686 397 HA LEU 55 HA LEU 55 3.512 -8.194 6.292 398 1HB LEU 55 1HB LEU 55 5.899 -7.722 5.310 399 2HB LEU 55 2HB LEU 55 5.495 -8.951 4.127 400 HG LEU 55 HG LEU 55 4.988 -6.878 3.142 401 1HD1 LEU 55 1HD1 LEU 55 3.171 -8.547 2.840 402 2HD1 LEU 55 2HD1 LEU 55 2.289 -7.816 4.204 403 3HD1 LEU 55 3HD1 LEU 55 2.593 -6.872 2.750 404 1HD2 LEU 55 1HD2 LEU 55 5.072 -5.498 5.189 405 2HD2 LEU 55 2HD2 LEU 55 3.703 -5.082 4.148 406 3HD2 LEU 55 3HD2 LEU 55 3.433 -6.031 5.621 407 H THR 56 H THR 56 1.742 -9.433 6.260 408 HA THR 56 HA THR 56 1.578 -11.738 4.418 409 HB THR 56 HB THR 56 2.300 -12.573 6.641 410 HG1 THR 56 HG1 THR 56 0.629 -14.094 6.807 411 1HG2 THR 56 1HG2 THR 56 0.799 -12.509 8.563 412 2HG2 THR 56 2HG2 THR 56 1.276 -10.866 8.105 413 H LYS 57 H LYS 57 -0.627 -12.414 3.999 414 HA LYS 57 HA LYS 57 -2.207 -10.305 3.175 415 1HB LYS 57 1HB LYS 57 -2.219 -12.598 2.296 416 2HB LYS 57 2HB LYS 57 -3.071 -13.175 3.717 417 1HG LYS 57 1HG LYS 57 -4.153 -10.992 1.887 418 2HG LYS 57 2HG LYS 57 -4.379 -12.709 1.545 419 1HD LYS 57 1HD LYS 57 -5.521 -11.217 3.940 420 2HD LYS 57 2HD LYS 57 -6.371 -11.816 2.525 421 1HE LYS 57 1HE LYS 57 -5.699 -14.158 3.147 422 2HE LYS 57 2HE LYS 57 -5.019 -13.516 4.658 423 1HZ LYS 57 1HZ LYS 57 -7.806 -13.273 3.824 424 2HZ LYS 57 2HZ LYS 57 -7.213 -14.311 4.962 425 3HZ LYS 57 3HZ LYS 57 -7.154 -12.683 5.219 426 H GLU 58 H GLU 58 -2.946 -12.455 5.981 427 HA GLU 58 HA GLU 58 -5.280 -11.126 6.712 428 1HB GLU 58 1HB GLU 58 -5.213 -12.385 8.755 429 2HB GLU 58 2HB GLU 58 -4.708 -13.367 7.389 430 1HG GLU 58 1HG GLU 58 -3.267 -13.964 9.146 431 2HG GLU 58 2HG GLU 58 -2.293 -12.981 8.053 432 H LYS 59 H LYS 59 -1.957 -10.220 7.451 433 HA LYS 59 HA LYS 59 -2.584 -8.433 9.606 434 1HB LYS 59 1HB LYS 59 -0.401 -9.484 9.304 435 2HB LYS 59 2HB LYS 59 -0.128 -8.555 7.819 436 1HG LYS 59 1HG LYS 59 -0.164 -6.456 9.083 437 2HG LYS 59 2HG LYS 59 -0.649 -7.319 10.557 438 1HD LYS 59 1HD LYS 59 1.475 -8.616 10.488 439 2HD LYS 59 2HD LYS 59 1.973 -7.695 9.053 440 1HE LYS 59 1HE LYS 59 1.925 -5.605 10.358 441 2HE LYS 59 2HE LYS 59 1.318 -6.482 11.778 442 1HZ LYS 59 1HZ LYS 59 3.337 -7.735 11.805 443 2HZ LYS 59 2HZ LYS 59 3.913 -6.925 10.490 444 3HZ LYS 59 3HZ LYS 59 3.656 -6.120 11.907 445 H ILE 60 H ILE 60 -1.916 -8.010 6.109 446 HA ILE 60 HA ILE 60 -2.087 -5.218 5.984 447 HB ILE 60 HB ILE 60 -2.626 -7.364 3.915 448 1HG1 ILE 60 1HG1 ILE 60 -0.313 -7.337 4.696 449 2HG1 ILE 60 2HG1 ILE 60 -0.447 -6.755 3.011 450 1HG2 ILE 60 1HG2 ILE 60 -2.446 -4.367 3.480 451 2HG2 ILE 60 2HG2 ILE 60 -2.296 -5.581 2.199 452 3HG2 ILE 60 3HG2 ILE 60 -3.807 -5.438 3.095 453 1HD1 ILE 60 1HD1 ILE 60 -0.244 -4.385 3.950 454 2HD1 ILE 60 2HD1 ILE 60 0.066 -5.105 5.549 455 3HD1 ILE 60 3HD1 ILE 60 1.168 -5.413 4.212 456 H GLU 61 H GLU 61 -4.738 -7.610 5.868 457 HA GLU 61 HA GLU 61 -6.815 -6.110 4.871 458 1HB GLU 61 1HB GLU 61 -6.809 -8.124 7.145 459 2HB GLU 61 2HB GLU 61 -8.287 -7.481 6.410 460 1HG GLU 61 1HG GLU 61 -7.616 -8.321 4.205 461 2HG GLU 61 2HG GLU 61 -6.129 -8.988 4.885 462 H TYR 62 H TYR 62 -6.007 -6.300 8.392 463 HA TYR 62 HA TYR 62 -7.857 -4.142 9.006 464 1HB TYR 62 1HB TYR 62 -7.079 -4.450 11.305 465 2HB TYR 62 2HB TYR 62 -7.705 -5.902 10.548 466 HD1 TYR 62 HD1 TYR 62 -4.502 -4.167 11.495 467 HD2 TYR 62 HD2 TYR 62 -6.443 -7.903 10.549 468 HE1 TYR 62 HE1 TYR 62 -2.545 -5.405 12.357 469 HE2 TYR 62 HE2 TYR 62 -4.520 -9.135 11.495 470 HH TYR 62 HH TYR 62 -2.452 -8.989 12.484 471 H TYR 63 H TYR 63 -4.367 -4.386 8.399 472 HA TYR 63 HA TYR 63 -3.596 -2.041 9.747 473 1HB TYR 63 1HB TYR 63 -2.043 -3.789 9.057 474 2HB TYR 63 2HB TYR 63 -2.391 -3.455 7.360 475 HD1 TYR 63 HD1 TYR 63 -1.588 -1.095 10.216 476 HD2 TYR 63 HD2 TYR 63 -0.343 -2.772 6.437 477 HE1 TYR 63 HE1 TYR 63 0.395 0.371 10.216 478 HE2 TYR 63 HE2 TYR 63 1.682 -1.357 6.485 479 HH TYR 63 HH TYR 63 2.349 0.950 9.149 480 H VAL 64 H VAL 64 -4.552 -2.518 6.297 481 HA VAL 64 HA VAL 64 -4.207 0.251 5.611 482 HB VAL 64 HB VAL 64 -5.305 -0.240 3.549 483 1HG1 VAL 64 1HG1 VAL 64 -3.397 -2.457 4.356 484 2HG1 VAL 64 2HG1 VAL 64 -3.833 -2.015 2.693 485 3HG1 VAL 64 3HG1 VAL 64 -2.978 -0.855 3.720 486 1HG2 VAL 64 1HG2 VAL 64 -6.083 -2.918 4.757 487 2HG2 VAL 64 2HG2 VAL 64 -7.163 -1.643 4.176 488 3HG2 VAL 64 3HG2 VAL 64 -6.158 -2.540 3.031 489 H GLU 65 H GLU 65 -6.890 -1.616 6.985 490 HA GLU 65 HA GLU 65 -8.952 0.283 6.539 491 1HB GLU 65 1HB GLU 65 -9.286 -2.086 7.154 492 2HB GLU 65 2HB GLU 65 -8.694 -1.741 8.789 493 1HG GLU 65 1HG GLU 65 -10.551 -0.182 9.172 494 2HG GLU 65 2HG GLU 65 -11.080 -0.360 7.490 495 H TRP 66 H TRP 66 -6.480 -0.053 9.097 496 HA TRP 66 HA TRP 66 -7.492 2.123 10.746 497 1HB TRP 66 1HB TRP 66 -4.738 0.886 10.697 498 2HB TRP 66 2HB TRP 66 -5.474 1.813 12.001 499 HD1 TRP 66 HD1 TRP 66 -4.196 -1.047 12.326 500 HE1 TRP 66 HE1 TRP 66 -5.532 -2.983 13.279 501 HE3 TRP 66 HE3 TRP 66 -8.974 0.673 11.378 502 HZ2 TRP 66 HZ2 TRP 66 -8.302 -3.727 13.593 503 HZ3 TRP 66 HZ3 TRP 66 -10.903 -0.695 11.998 504 HH2 TRP 66 HH2 TRP 66 -10.599 -2.898 13.101 505 H ALA 67 H ALA 67 -5.096 1.790 8.113 506 HA ALA 67 HA ALA 67 -3.910 4.357 8.438 507 1HB ALA 67 1HB ALA 67 -2.890 2.498 7.173 508 2HB ALA 67 2HB ALA 67 -4.144 2.663 5.922 509 3HB ALA 67 3HB ALA 67 -3.000 3.988 6.218 510 H LEU 68 H LEU 68 -6.608 3.198 6.337 511 HA LEU 68 HA LEU 68 -7.060 5.790 5.218 512 1HB LEU 68 1HB LEU 68 -8.915 4.846 4.058 513 2HB LEU 68 2HB LEU 68 -7.533 3.759 4.015 514 HG LEU 68 HG LEU 68 -8.715 2.570 6.041 515 1HD1 LEU 68 1HD1 LEU 68 -11.102 3.943 4.723 516 2HD1 LEU 68 2HD1 LEU 68 -11.186 2.585 5.856 517 3HD1 LEU 68 3HD1 LEU 68 -10.605 4.146 6.415 518 1HD2 LEU 68 1HD2 LEU 68 -8.344 1.581 3.813 519 2HD2 LEU 68 2HD2 LEU 68 -9.938 1.132 4.438 520 3HD2 LEU 68 3HD2 LEU 68 -9.800 2.401 3.206 521 H ASP 69 H ASP 69 -7.994 4.414 8.248 522 HA ASP 69 HA ASP 69 -10.495 5.573 8.663 523 1HB ASP 69 1HB ASP 69 -9.392 3.863 10.113 524 2HB ASP 69 2HB ASP 69 -8.348 5.138 10.762 525 H ALA 70 H ALA 70 -7.271 7.023 8.887 526 HA ALA 70 HA ALA 70 -7.543 9.318 10.311 527 1HB ALA 70 1HB ALA 70 -5.493 8.598 9.171 528 2HB ALA 70 2HB ALA 70 -6.204 8.988 7.592 529 3HB ALA 70 3HB ALA 70 -5.871 10.283 8.761 530 H THR 71 H THR 71 -8.595 8.894 6.911 531 HA THR 71 HA THR 71 -9.953 11.533 6.898 532 HB THR 71 HB THR 71 -10.189 11.061 4.484 533 HG1 THR 71 HG1 THR 71 -8.601 8.785 5.071 534 1HG2 THR 71 1HG2 THR 71 -7.809 11.321 3.896 535 2HG2 THR 71 2HG2 THR 71 -8.212 12.296 5.324 536 H ALA 72 H ALA 72 -10.607 8.073 6.187 537 HA ALA 72 HA ALA 72 -13.525 8.590 6.094 538 1HB ALA 72 1HB ALA 72 -11.817 6.279 5.114 539 2HB ALA 72 2HB ALA 72 -13.575 6.438 4.903 540 3HB ALA 72 3HB ALA 72 -12.478 7.597 4.127 541 H TYR 73 H TYR 73 -13.723 8.754 8.396 542 HA TYR 73 HA TYR 73 -13.591 6.176 9.899 543 1HB TYR 73 1HB TYR 73 -13.684 7.580 11.908 544 2HB TYR 73 2HB TYR 73 -12.240 7.825 10.955 545 HD1 TYR 73 HD1 TYR 73 -11.911 9.938 9.633 546 HD2 TYR 73 HD2 TYR 73 -15.285 9.386 12.262 547 HE1 TYR 73 HE1 TYR 73 -12.304 12.378 9.638 548 HE2 TYR 73 HE2 TYR 73 -15.658 11.834 12.289 549 HH TYR 73 HH TYR 73 -13.554 14.113 10.494 550 H LYS 74 H LYS 74 -15.647 8.936 8.950 551 HA LYS 74 HA LYS 74 -17.882 7.983 10.568 552 1HB LYS 74 1HB LYS 74 -17.279 10.335 10.424 553 2HB LYS 74 2HB LYS 74 -17.648 10.364 8.690 554 1HG LYS 74 1HG LYS 74 -20.007 9.630 9.277 555 2HG LYS 74 2HG LYS 74 -19.580 9.824 10.984 556 1HD LYS 74 1HD LYS 74 -19.604 12.004 8.833 557 2HD LYS 74 2HD LYS 74 -20.794 11.744 10.112 558 1HE LYS 74 1HE LYS 74 -19.560 13.461 11.009 559 2HE LYS 74 2HE LYS 74 -18.780 12.062 11.764 560 1HZ LYS 74 1HZ LYS 74 -17.855 13.531 9.385 561 2HZ LYS 74 2HZ LYS 74 -17.209 13.641 10.896 562 3HZ LYS 74 3HZ LYS 74 -17.079 12.239 10.044 563 H GLU 75 H GLU 75 -17.751 8.988 7.104 564 HA GLU 75 HA GLU 75 -20.151 7.375 6.681 565 1HB GLU 75 1HB GLU 75 -19.959 9.828 6.171 566 2HB GLU 75 2HB GLU 75 -18.871 9.418 4.845 567 1HG GLU 75 1HG GLU 75 -20.780 7.905 3.958 568 2HG GLU 75 2HG GLU 75 -21.790 8.607 5.223 569 H PHE 76 H PHE 76 -18.472 5.418 6.862 570 HA PHE 76 HA PHE 76 -18.173 4.449 4.120 571 1HB PHE 76 1HB PHE 76 -15.923 4.145 4.038 572 2HB PHE 76 2HB PHE 76 -15.976 5.686 4.872 573 HD1 PHE 76 HD1 PHE 76 -16.178 5.328 7.632 574 HD2 PHE 76 HD2 PHE 76 -14.414 2.569 4.821 575 HE1 PHE 76 HE1 PHE 76 -15.033 4.137 9.491 576 HE2 PHE 76 HE2 PHE 76 -13.232 1.437 6.681 577 HZ PHE 76 1HZ PHE 76 -13.535 2.227 9.015 578 H ARG 77 H ARG 77 -17.962 2.170 3.977 579 HA ARG 77 HA ARG 77 -17.786 0.559 6.368 580 1HB ARG 77 1HB ARG 77 -20.214 1.288 6.356 581 2HB ARG 77 2HB ARG 77 -20.421 0.421 4.829 582 1HG ARG 77 1HG ARG 77 -19.718 -1.696 5.962 583 2HG ARG 77 2HG ARG 77 -19.423 -0.782 7.451 584 1HD ARG 77 1HD ARG 77 -21.550 -1.777 7.756 585 2HD ARG 77 2HD ARG 77 -21.855 -0.076 7.423 586 HE ARG 77 HE ARG 77 -22.870 -0.612 5.415 587 1HH1 ARG 77 1HH1 ARG 77 -21.253 -3.531 6.679 588 2HH1 ARG 77 2HH1 ARG 77 -22.099 -4.597 5.584 589 1HH2 ARG 77 1HH2 ARG 77 -23.951 -2.048 4.012 590 2HH2 ARG 77 2HH2 ARG 77 -23.611 -3.763 4.072 591 H VAL 78 H VAL 78 -16.216 -0.719 5.567 592 HA VAL 78 HA VAL 78 -16.064 -1.479 2.781 593 HB VAL 78 HB VAL 78 -14.477 -2.435 5.198 594 1HG1 VAL 78 1HG1 VAL 78 -13.978 -2.695 2.198 595 2HG1 VAL 78 2HG1 VAL 78 -12.807 -3.116 3.466 596 3HG1 VAL 78 3HG1 VAL 78 -14.309 -4.035 3.317 597 1HG2 VAL 78 1HG2 VAL 78 -13.873 -0.299 3.106 598 2HG2 VAL 78 2HG2 VAL 78 -14.219 -0.008 4.824 599 3HG2 VAL 78 3HG2 VAL 78 -12.750 -0.871 4.356 600 H VAL 79 H VAL 79 -17.822 -2.713 2.160 601 HA VAL 79 HA VAL 79 -18.944 -4.786 3.811 602 HB VAL 79 HB VAL 79 -20.362 -5.298 1.928 603 1HG1 VAL 79 1HG1 VAL 79 -20.813 -3.338 3.414 604 2HG1 VAL 79 2HG1 VAL 79 -20.057 -2.283 2.206 605 3HG1 VAL 79 3HG1 VAL 79 -21.529 -3.186 1.798 606 1HG2 VAL 79 1HG2 VAL 79 -18.717 -3.305 0.318 607 2HG2 VAL 79 2HG2 VAL 79 -18.876 -5.045 -0.013 608 3HG2 VAL 79 3HG2 VAL 79 -20.276 -3.985 -0.174 609 H GLU 80 H GLU 80 -16.713 -4.752 1.026 610 HA GLU 80 HA GLU 80 -15.746 -7.456 1.764 611 1HB GLU 80 1HB GLU 80 -16.615 -6.594 -1.032 612 2HB GLU 80 2HB GLU 80 -15.689 -8.056 -0.660 613 1HG GLU 80 1HG GLU 80 -17.550 -8.883 0.757 614 2HG GLU 80 2HG GLU 80 -18.511 -7.460 0.323 615 H LEU 81 H LEU 81 -13.670 -7.918 0.820 616 HA LEU 81 HA LEU 81 -12.130 -5.659 -0.276 617 1HB LEU 81 1HB LEU 81 -10.265 -6.035 1.278 618 2HB LEU 81 2HB LEU 81 -11.735 -5.481 2.071 619 HG LEU 81 HG LEU 81 -12.149 -7.992 2.662 620 1HD1 LEU 81 1HD1 LEU 81 -9.154 -8.059 2.032 621 2HD1 LEU 81 2HD1 LEU 81 -10.041 -9.283 2.959 622 3HD1 LEU 81 3HD1 LEU 81 -10.398 -9.061 1.257 623 1HD2 LEU 81 1HD2 LEU 81 -9.842 -6.424 3.885 624 2HD2 LEU 81 2HD2 LEU 81 -11.564 -6.242 4.285 625 3HD2 LEU 81 3HD2 LEU 81 -10.725 -7.754 4.665 626 H ASP 82 H ASP 82 -10.049 -6.377 -1.194 627 HA ASP 82 HA ASP 82 -10.351 -8.995 -2.521 628 1HB ASP 82 1HB ASP 82 -8.450 -6.669 -2.952 629 2HB ASP 82 2HB ASP 82 -8.297 -8.233 -3.756 630 HA PRO 83 HA PRO 83 -7.341 -10.532 0.558 631 1HB PRO 83 1HB PRO 83 -7.060 -13.084 -0.313 632 2HB PRO 83 2HB PRO 83 -8.563 -12.516 0.473 633 1HG PRO 83 1HG PRO 83 -8.015 -12.736 -2.500 634 2HG PRO 83 2HG PRO 83 -9.422 -13.373 -1.599 635 1HD PRO 83 1HD PRO 83 -9.467 -10.982 -2.909 636 2HD PRO 83 2HD PRO 83 -10.355 -11.205 -1.368 637 H SER 84 H SER 84 -7.062 -10.344 -2.946 638 HA SER 84 HA SER 84 -4.203 -10.950 -3.041 639 1HB SER 84 1HB SER 84 -6.171 -9.965 -5.144 640 2HB SER 84 2HB SER 84 -4.490 -10.469 -5.439 641 HG SER 84 HG SER 84 -5.060 -12.518 -4.588 642 H ALA 85 H ALA 85 -3.892 -9.198 -1.308 643 HA ALA 85 HA ALA 85 -3.647 -6.451 -2.165 644 1HB ALA 85 1HB ALA 85 -3.628 -7.132 0.221 645 2HB ALA 85 2HB ALA 85 -2.127 -8.041 -0.050 646 3HB ALA 85 3HB ALA 85 -2.133 -6.277 -0.220 647 H LYS 86 H LYS 86 -1.467 -5.419 -2.524 648 HA LYS 86 HA LYS 86 0.506 -7.137 -3.850 649 1HB LYS 86 1HB LYS 86 0.263 -5.806 -5.994 650 2HB LYS 86 2HB LYS 86 -0.899 -7.082 -5.630 651 1HG LYS 86 1HG LYS 86 -2.536 -5.371 -4.832 652 2HG LYS 86 2HG LYS 86 -1.434 -4.090 -5.365 653 1HD LYS 86 1HD LYS 86 -2.440 -6.331 -7.177 654 2HD LYS 86 2HD LYS 86 -3.378 -4.862 -6.914 655 1HE LYS 86 1HE LYS 86 -0.516 -4.759 -7.943 656 2HE LYS 86 2HE LYS 86 -1.926 -4.920 -9.002 657 1HZ LYS 86 1HZ LYS 86 -2.797 -2.910 -8.111 658 2HZ LYS 86 2HZ LYS 86 -1.499 -2.729 -7.111 659 3HZ LYS 86 3HZ LYS 86 -1.297 -2.656 -8.745 660 H ILE 87 H ILE 87 2.258 -6.542 -2.924 661 HA ILE 87 HA ILE 87 3.073 -3.867 -2.223 662 HB ILE 87 HB ILE 87 4.580 -6.486 -2.693 663 1HG1 ILE 87 1HG1 ILE 87 5.055 -6.299 -0.242 664 2HG1 ILE 87 2HG1 ILE 87 3.884 -4.942 -0.172 665 1HG2 ILE 87 1HG2 ILE 87 5.653 -3.786 -1.800 666 2HG2 ILE 87 2HG2 ILE 87 6.540 -5.320 -1.651 667 3HG2 ILE 87 3HG2 ILE 87 6.133 -4.705 -3.245 668 1HD1 ILE 87 1HD1 ILE 87 3.208 -7.754 -1.110 669 2HD1 ILE 87 2HD1 ILE 87 3.058 -7.222 0.565 670 3HD1 ILE 87 3HD1 ILE 87 2.060 -6.462 -0.674 671 H GLU 88 H GLU 88 3.902 -2.348 -3.564 672 HA GLU 88 HA GLU 88 4.816 -3.071 -6.322 673 1HB GLU 88 1HB GLU 88 2.756 -1.049 -5.433 674 2HB GLU 88 2HB GLU 88 3.670 -0.823 -6.929 675 1HG GLU 88 1HG GLU 88 2.853 -2.920 -7.819 676 2HG GLU 88 2HG GLU 88 2.056 -3.325 -6.287 677 H VAL 89 H VAL 89 6.886 -3.064 -5.297 678 HA VAL 89 HA VAL 89 7.951 -0.702 -4.061 679 HB VAL 89 HB VAL 89 10.179 -1.857 -4.515 680 1HG1 VAL 89 1HG1 VAL 89 9.079 -1.806 -2.352 681 2HG1 VAL 89 2HG1 VAL 89 8.053 -3.184 -2.800 682 3HG1 VAL 89 3HG1 VAL 89 9.808 -3.395 -2.628 683 1HG2 VAL 89 1HG2 VAL 89 9.350 -3.431 -6.319 684 2HG2 VAL 89 2HG2 VAL 89 10.186 -4.211 -4.972 685 3HG2 VAL 89 3HG2 VAL 89 8.422 -4.287 -5.071 686 H THR 90 H THR 90 7.751 1.104 -5.215 687 HA THR 90 HA THR 90 8.650 1.273 -8.031 688 HB THR 90 HB THR 90 7.325 3.302 -6.184 689 HG1 THR 90 HG1 THR 90 5.496 2.769 -7.409 690 1HG2 THR 90 1HG2 THR 90 8.580 4.372 -8.053 691 2HG2 THR 90 2HG2 THR 90 7.748 3.303 -9.206 692 H TYR 91 H TYR 91 10.884 1.169 -7.949 693 HA TYR 91 HA TYR 91 12.340 2.957 -6.073 694 1HB TYR 91 1HB TYR 91 14.313 1.517 -6.756 695 2HB TYR 91 2HB TYR 91 13.103 0.871 -5.658 696 HD1 TYR 91 HD1 TYR 91 14.519 0.545 -9.069 697 HD2 TYR 91 HD2 TYR 91 11.736 -1.008 -6.166 698 HE1 TYR 91 HE1 TYR 91 14.186 -1.469 -10.459 699 HE2 TYR 91 HE2 TYR 91 11.518 -3.089 -7.496 700 HH TYR 91 HH TYR 91 13.260 -3.566 -10.589 701 H TYR 92 H TYR 92 12.209 4.822 -6.999 702 HA TYR 92 HA TYR 92 12.853 5.474 -9.730 703 1HB TYR 92 1HB TYR 92 12.616 7.798 -8.882 704 2HB TYR 92 2HB TYR 92 11.250 6.765 -8.510 705 HD1 TYR 92 HD1 TYR 92 10.779 6.002 -6.174 706 HD2 TYR 92 HD2 TYR 92 13.932 8.798 -7.060 707 HE1 TYR 92 HE1 TYR 92 11.284 6.213 -3.761 708 HE2 TYR 92 HE2 TYR 92 14.192 9.254 -4.648 709 HH TYR 92 HH TYR 92 12.604 7.211 -2.159 710 H ASP 93 H ASP 93 14.958 3.982 -9.112 711 HA ASP 93 HA ASP 93 17.075 5.394 -7.753 712 1HB ASP 93 1HB ASP 93 16.791 3.016 -7.491 713 2HB ASP 93 2HB ASP 93 16.941 2.752 -9.233 714 H LYS 94 H LYS 94 17.828 7.163 -8.813 715 HA LYS 94 HA LYS 94 18.565 7.048 -11.669 716 1HB LYS 94 1HB LYS 94 17.430 8.998 -10.958 717 2HB LYS 94 2HB LYS 94 18.494 9.238 -9.578 718 1HG LYS 94 1HG LYS 94 18.830 10.813 -11.489 719 2HG LYS 94 2HG LYS 94 20.291 9.995 -10.963 720 1HD LYS 94 1HD LYS 94 20.077 8.397 -12.889 721 2HD LYS 94 2HD LYS 94 18.586 9.228 -13.377 722 1HE LYS 94 1HE LYS 94 20.447 10.007 -14.729 723 2HE LYS 94 2HE LYS 94 19.905 11.333 -13.684 724 1HZ LYS 94 1HZ LYS 94 22.209 9.580 -13.174 725 2HZ LYS 94 2HZ LYS 94 22.286 11.123 -13.749 726 3HZ LYS 94 3HZ LYS 94 21.729 10.839 -12.226 727 H ASN 95 H ASN 95 19.993 5.196 -11.078 728 HA ASN 95 HA ASN 95 22.738 6.190 -10.947 729 1HB ASN 95 1HB ASN 95 21.739 4.072 -8.992 730 2HB ASN 95 2HB ASN 95 23.436 4.331 -9.413 731 1HD2 ASN 95 1HD2 ASN 95 21.574 6.885 -6.814 732 2HD2 ASN 95 2HD2 ASN 95 20.672 5.651 -7.670 733 H LYS 96 H LYS 96 20.800 3.124 -10.964 734 HA LYS 96 HA LYS 96 21.866 2.513 -13.618 735 1HB LYS 96 1HB LYS 96 22.990 0.576 -13.164 736 2HB LYS 96 2HB LYS 96 23.594 1.686 -11.949 737 1HG LYS 96 1HG LYS 96 21.547 -0.552 -11.544 738 2HG LYS 96 2HG LYS 96 23.250 -0.627 -11.133 739 1HD LYS 96 1HD LYS 96 21.304 1.309 -9.825 740 2HD LYS 96 2HD LYS 96 21.726 -0.281 -9.194 741 1HE LYS 96 1HE LYS 96 24.091 0.383 -9.021 742 2HE LYS 96 2HE LYS 96 23.696 1.993 -9.652 743 1HZ LYS 96 1HZ LYS 96 22.256 2.303 -7.773 744 2HZ LYS 96 2HZ LYS 96 22.638 0.812 -7.184 745 3HZ LYS 96 3HZ LYS 96 23.797 1.982 -7.283 746 H LYS 97 H LYS 97 19.671 1.604 -10.956 747 HA LYS 97 HA LYS 97 18.620 -0.600 -12.470 748 1HB LYS 97 1HB LYS 97 19.008 -0.402 -9.933 749 2HB LYS 97 2HB LYS 97 17.454 0.450 -9.887 750 1HG LYS 97 1HG LYS 97 16.410 -1.533 -11.040 751 2HG LYS 97 2HG LYS 97 17.992 -2.334 -11.022 752 1HD LYS 97 1HD LYS 97 18.020 -2.167 -8.524 753 2HD LYS 97 2HD LYS 97 16.404 -1.449 -8.578 754 1HE LYS 97 1HE LYS 97 16.142 -3.781 -8.065 755 2HE LYS 97 2HE LYS 97 15.588 -3.554 -9.734 756 1HZ LYS 97 1HZ LYS 97 18.222 -4.560 -8.922 757 2HZ LYS 97 2HZ LYS 97 16.972 -5.473 -9.488 758 3HZ LYS 97 3HZ LYS 97 17.700 -4.373 -10.476 759 H LYS 98 H LYS 98 17.291 2.562 -11.424 760 HA LYS 98 HA LYS 98 15.740 3.898 -12.266 761 1HB LYS 98 1HB LYS 98 16.811 3.169 -14.440 762 2HB LYS 98 2HB LYS 98 15.434 2.077 -14.677 763 1HG LYS 98 1HG LYS 98 13.894 3.934 -14.804 764 2HG LYS 98 2HG LYS 98 15.122 5.064 -14.202 765 1HD LYS 98 1HD LYS 98 14.833 5.367 -16.576 766 2HD LYS 98 2HD LYS 98 16.453 4.725 -16.262 767 1HE LYS 98 1HE LYS 98 15.709 2.467 -16.942 768 2HE LYS 98 2HE LYS 98 14.048 3.064 -17.152 769 1HZ LYS 98 1HZ LYS 98 14.859 4.504 -18.866 770 2HZ LYS 98 2HZ LYS 98 16.399 3.949 -18.663 771 3HZ LYS 98 3HZ LYS 98 15.220 2.932 -19.209 772 H GLU 99 H GLU 99 13.393 4.141 -12.769 773 HA GLU 99 HA GLU 99 11.904 2.754 -10.838 774 1HB GLU 99 1HB GLU 99 11.545 5.085 -11.645 775 2HB GLU 99 2HB GLU 99 10.784 4.426 -13.102 776 1HG GLU 99 1HG GLU 99 9.085 3.286 -11.710 777 2HG GLU 99 2HG GLU 99 9.928 3.790 -10.237 778 H GLU 100 H GLU 100 11.378 0.716 -10.879 779 HA GLU 100 HA GLU 100 9.808 -0.375 -13.155 780 1HB GLU 100 1HB GLU 100 12.075 -1.798 -11.703 781 2HB GLU 100 2HB GLU 100 10.935 -2.559 -12.819 782 1HG GLU 100 1HG GLU 100 11.768 -1.164 -14.659 783 2HG GLU 100 2HG GLU 100 12.875 -0.324 -13.560 784 H THR 101 H THR 101 7.870 -0.296 -12.110 785 HA THR 101 HA THR 101 7.603 -0.824 -9.266 786 HB THR 101 HB THR 101 5.506 -0.369 -11.425 787 HG1 THR 101 HG1 THR 101 5.568 1.734 -10.559 788 1HG2 THR 101 1HG2 THR 101 5.391 -0.267 -8.378 789 2HG2 THR 101 2HG2 THR 101 4.096 0.288 -9.460 790 H LYS 102 H LYS 102 8.261 -2.946 -8.899 791 HA LYS 102 HA LYS 102 7.185 -5.163 -10.473 792 1HB LYS 102 1HB LYS 102 8.998 -5.014 -8.039 793 2HB LYS 102 2HB LYS 102 8.538 -6.528 -8.829 794 1HG LYS 102 1HG LYS 102 9.864 -4.249 -10.357 795 2HG LYS 102 2HG LYS 102 10.795 -5.469 -9.480 796 1HD LYS 102 1HD LYS 102 10.118 -7.229 -10.867 797 2HD LYS 102 2HD LYS 102 8.715 -6.359 -11.495 798 1HE LYS 102 1HE LYS 102 10.474 -6.503 -13.184 799 2HE LYS 102 2HE LYS 102 10.120 -4.825 -12.748 800 1HZ LYS 102 1HZ LYS 102 12.383 -6.410 -11.752 801 2HZ LYS 102 2HZ LYS 102 12.459 -5.231 -12.902 802 3HZ LYS 102 3HZ LYS 102 12.055 -4.844 -11.352 803 H SER 103 H SER 103 5.116 -5.620 -10.190 804 HA SER 103 HA SER 103 3.719 -5.115 -7.690 805 1HB SER 103 1HB SER 103 1.730 -5.726 -9.010 806 2HB SER 103 2HB SER 103 2.710 -4.466 -9.780 807 HG SER 103 HG SER 103 2.764 -7.226 -10.426 808 H PHE 104 H PHE 104 5.198 -6.745 -6.576 809 HA PHE 104 HA PHE 104 4.686 -9.546 -6.814 810 1HB PHE 104 1HB PHE 104 6.635 -8.637 -5.660 811 2HB PHE 104 2HB PHE 104 5.610 -7.818 -4.488 812 HD1 PHE 104 HD1 PHE 104 4.384 -9.106 -2.747 813 HD2 PHE 104 HD2 PHE 104 7.070 -11.045 -5.504 814 HE1 PHE 104 HE1 PHE 104 4.172 -11.220 -1.474 815 HE2 PHE 104 HE2 PHE 104 6.953 -13.119 -4.150 816 HZ PHE 104 1HZ PHE 104 5.486 -13.218 -2.144 817 HA PRO 105 HA PRO 105 0.555 -9.240 -5.068 818 1HB PRO 105 1HB PRO 105 -0.203 -11.827 -4.921 819 2HB PRO 105 2HB PRO 105 0.227 -11.057 -6.458 820 1HG PRO 105 1HG PRO 105 2.099 -12.701 -4.723 821 2HG PRO 105 2HG PRO 105 1.695 -12.962 -6.446 822 1HD PRO 105 1HD PRO 105 3.885 -11.535 -5.699 823 2HD PRO 105 2HD PRO 105 2.907 -11.045 -7.113 824 H ILE 106 H ILE 106 0.605 -12.072 -3.192 825 HA ILE 106 HA ILE 106 1.788 -11.120 -0.781 826 HB ILE 106 HB ILE 106 -0.228 -9.574 -1.006 827 1HG1 ILE 106 1HG1 ILE 106 -1.178 -9.870 1.207 828 2HG1 ILE 106 2HG1 ILE 106 -0.336 -11.457 1.366 829 1HG2 ILE 106 1HG2 ILE 106 -1.749 -11.193 -2.122 830 2HG2 ILE 106 2HG2 ILE 106 -1.870 -12.108 -0.601 831 3HG2 ILE 106 3HG2 ILE 106 -2.457 -10.448 -0.682 832 1HD1 ILE 106 1HD1 ILE 106 1.002 -8.721 0.942 833 2HD1 ILE 106 2HD1 ILE 106 0.790 -9.509 2.518 834 3HD1 ILE 106 3HD1 ILE 106 1.827 -10.258 1.297 835 H THR 107 H THR 107 1.412 -12.683 0.990 836 HA THR 107 HA THR 107 -0.058 -15.157 0.277 837 HB THR 107 HB THR 107 1.731 -16.558 1.200 838 HG1 THR 107 HG1 THR 107 3.249 -14.169 1.200 839 1HG2 THR 107 1HG2 THR 107 2.800 -14.838 -1.081 840 2HG2 THR 107 2HG2 THR 107 3.285 -16.490 -0.665 841 H GLU 108 H GLU 108 -1.204 -15.974 1.937 842 HA GLU 108 HA GLU 108 -1.392 -14.542 4.450 843 1HB GLU 108 1HB GLU 108 -3.318 -15.593 3.279 844 2HB GLU 108 2HB GLU 108 -2.622 -17.193 3.598 845 1HG GLU 108 1HG GLU 108 -2.861 -16.865 6.008 846 2HG GLU 108 2HG GLU 108 -3.286 -15.159 5.776 847 H LYS 109 H LYS 109 0.477 -17.251 3.240 848 HA LYS 109 HA LYS 109 1.308 -18.423 5.697 849 1HB LYS 109 1HB LYS 109 1.676 -19.353 3.444 850 2HB LYS 109 2HB LYS 109 2.825 -18.047 3.078 851 1HG LYS 109 1HG LYS 109 4.191 -18.826 5.077 852 2HG LYS 109 2HG LYS 109 3.087 -20.199 5.226 853 1HD LYS 109 1HD LYS 109 4.906 -19.546 2.854 854 2HD LYS 109 2HD LYS 109 5.150 -20.792 4.079 855 1HE LYS 109 1HE LYS 109 4.319 -22.046 2.336 856 2HE LYS 109 2HE LYS 109 2.844 -21.749 3.269 857 1HZ LYS 109 1HZ LYS 109 3.761 -20.273 0.890 858 2HZ LYS 109 2HZ LYS 109 2.554 -21.395 0.927 859 3HZ LYS 109 3HZ LYS 109 2.367 -19.960 1.709 860 H GLY 110 H GLY 110 2.641 -15.730 3.706 861 1HA GLY 110 1HA GLY 110 3.231 -13.666 4.599 862 2HA GLY 110 2HA GLY 110 3.591 -14.389 6.174 863 H PHE 111 H PHE 111 5.317 -12.625 5.269 864 HA PHE 111 HA PHE 111 7.798 -14.081 5.039 865 1HB PHE 111 1HB PHE 111 8.564 -12.937 2.972 866 2HB PHE 111 2HB PHE 111 7.296 -14.115 2.682 867 HD1 PHE 111 HD1 PHE 111 5.017 -13.422 2.062 868 HD2 PHE 111 HD2 PHE 111 8.170 -10.531 2.562 869 HE1 PHE 111 HE1 PHE 111 3.621 -11.714 0.945 870 HE2 PHE 111 HE2 PHE 111 6.776 -8.821 1.425 871 HZ PHE 111 1HZ PHE 111 4.495 -9.402 0.627 872 H VAL 112 H VAL 112 9.421 -12.898 5.938 873 HA VAL 112 HA VAL 112 8.755 -10.377 7.220 874 HB VAL 112 HB VAL 112 11.247 -12.120 7.152 875 1HG1 VAL 112 1HG1 VAL 112 10.735 -9.512 8.627 876 2HG1 VAL 112 2HG1 VAL 112 11.999 -10.671 9.093 877 3HG1 VAL 112 3HG1 VAL 112 12.070 -9.885 7.515 878 1HG2 VAL 112 1HG2 VAL 112 9.294 -13.036 8.397 879 2HG2 VAL 112 2HG2 VAL 112 10.607 -12.585 9.493 880 3HG2 VAL 112 3HG2 VAL 112 9.189 -11.529 9.332 881 H VAL 113 H VAL 113 9.436 -8.356 6.686 882 HA VAL 113 HA VAL 113 10.323 -7.768 4.027 883 HB VAL 113 HB VAL 113 10.157 -6.035 6.521 884 1HG1 VAL 113 1HG1 VAL 113 10.440 -5.259 3.579 885 2HG1 VAL 113 2HG1 VAL 113 10.153 -4.132 4.921 886 3HG1 VAL 113 3HG1 VAL 113 11.677 -5.025 4.833 887 1HG2 VAL 113 1HG2 VAL 113 8.220 -6.437 4.203 888 2HG2 VAL 113 2HG2 VAL 113 7.970 -6.917 5.896 889 3HG2 VAL 113 3HG2 VAL 113 8.061 -5.205 5.472 890 HA PRO 114 HA PRO 114 14.475 -8.876 5.271 891 1HB PRO 114 1HB PRO 114 15.872 -8.415 2.940 892 2HB PRO 114 2HB PRO 114 14.772 -9.792 3.214 893 1HG PRO 114 1HG PRO 114 14.168 -7.221 1.749 894 2HG PRO 114 2HG PRO 114 13.754 -8.890 1.289 895 1HD PRO 114 1HD PRO 114 11.978 -7.205 2.524 896 2HD PRO 114 2HD PRO 114 11.968 -8.973 2.798 897 H ASP 115 H ASP 115 14.674 -5.991 3.141 898 HA ASP 115 HA ASP 115 15.352 -3.988 4.931 899 1HB ASP 115 1HB ASP 115 17.352 -5.130 5.659 900 2HB ASP 115 2HB ASP 115 17.762 -5.609 4.006 901 H LEU 116 H LEU 116 16.926 -5.306 2.002 902 HA LEU 116 HA LEU 116 17.299 -4.529 -0.023 903 1HB LEU 116 1HB LEU 116 14.690 -4.888 0.129 904 2HB LEU 116 2HB LEU 116 14.597 -3.147 -0.051 905 HG LEU 116 HG LEU 116 14.296 -4.205 -2.172 906 1HD1 LEU 116 1HD1 LEU 116 15.624 -2.144 -2.296 907 2HD1 LEU 116 2HD1 LEU 116 17.132 -3.090 -2.181 908 3HD1 LEU 116 3HD1 LEU 116 16.063 -3.288 -3.577 909 1HD2 LEU 116 1HD2 LEU 116 15.387 -6.377 -1.627 910 2HD2 LEU 116 2HD2 LEU 116 15.801 -5.747 -3.229 911 3HD2 LEU 116 3HD2 LEU 116 16.975 -5.629 -1.912 912 H SER 117 H SER 117 18.812 -3.206 1.423 913 HA SER 117 HA SER 117 18.783 -0.447 0.361 914 1HB SER 117 1HB SER 117 19.418 -1.085 3.266 915 2HB SER 117 2HB SER 117 19.527 0.495 2.471 916 HG SER 117 HG SER 117 17.178 -1.048 2.832 917 H GLU 118 H GLU 118 20.015 -2.583 -0.794 918 HA GLU 118 HA GLU 118 22.799 -2.779 0.216 919 1HB GLU 118 1HB GLU 118 21.483 -4.801 0.068 920 2HB GLU 118 2HB GLU 118 21.147 -4.544 -1.642 921 1HG GLU 118 1HG GLU 118 23.973 -4.829 -0.518 922 2HG GLU 118 2HG GLU 118 22.990 -6.213 -1.006 923 H HIS 119 H HIS 119 21.106 -2.705 -2.946 924 HA HIS 119 HA HIS 119 23.446 -1.345 -4.188 925 1HB HIS 119 1HB HIS 119 22.528 -2.090 -6.312 926 2HB HIS 119 2HB HIS 119 22.945 -3.418 -5.237 927 HD1 HIS 119 HD1 HIS 119 20.464 -4.178 -3.722 928 HD2 HIS 119 HD2 HIS 119 20.400 -2.673 -7.651 929 HE1 HIS 119 HE1 HIS 119 18.244 -4.909 -4.752 930 H ILE 120 H ILE 120 19.842 -1.318 -4.286 931 HA ILE 120 HA ILE 120 19.879 1.634 -4.687 932 HB ILE 120 HB ILE 120 17.535 1.460 -5.096 933 1HG1 ILE 120 1HG1 ILE 120 17.692 -1.577 -4.818 934 2HG1 ILE 120 2HG1 ILE 120 17.112 -0.508 -3.538 935 1HG2 ILE 120 1HG2 ILE 120 19.285 0.969 -6.906 936 2HG2 ILE 120 2HG2 ILE 120 18.849 -0.731 -6.739 937 3HG2 ILE 120 3HG2 ILE 120 17.629 0.448 -7.257 938 1HD1 ILE 120 1HD1 ILE 120 15.353 0.366 -4.985 939 2HD1 ILE 120 2HD1 ILE 120 15.877 -0.698 -6.317 940 3HD1 ILE 120 3HD1 ILE 120 15.220 -1.392 -4.827 941 H LYS 121 H LYS 121 18.588 2.922 -3.226 942 HA LYS 121 HA LYS 121 17.830 1.709 -0.631 943 1HB LYS 121 1HB LYS 121 19.519 4.254 -0.800 944 2HB LYS 121 2HB LYS 121 18.773 3.539 0.625 945 1HG LYS 121 1HG LYS 121 20.889 2.765 0.888 946 2HG LYS 121 2HG LYS 121 20.185 1.413 0.006 947 1HD LYS 121 1HD LYS 121 21.169 2.512 -2.134 948 2HD LYS 121 2HD LYS 121 21.982 3.644 -1.046 949 1HE LYS 121 1HE LYS 121 23.102 1.733 0.085 950 2HE LYS 121 2HE LYS 121 22.244 0.605 -0.985 951 1HZ LYS 121 1HZ LYS 121 23.350 1.604 -2.837 952 2HZ LYS 121 2HZ LYS 121 24.149 2.657 -1.848 953 3HZ LYS 121 3HZ LYS 121 24.448 1.038 -1.744 954 H ASN 122 H ASN 122 15.985 1.929 -2.331 955 HA ASN 122 HA ASN 122 14.175 3.799 -1.206 956 1HB ASN 122 1HB ASN 122 13.597 5.095 -3.198 957 2HB ASN 122 2HB ASN 122 15.166 5.507 -2.559 958 1HD2 ASN 122 1HD2 ASN 122 15.639 5.473 -6.206 959 2HD2 ASN 122 2HD2 ASN 122 14.919 6.456 -4.951 960 HA PRO 123 HA PRO 123 12.687 -0.102 -3.453 961 1HB PRO 123 1HB PRO 123 11.393 -1.254 -1.308 962 2HB PRO 123 2HB PRO 123 13.088 -1.564 -1.764 963 1HG PRO 123 1HG PRO 123 12.079 0.381 0.323 964 2HG PRO 123 2HG PRO 123 13.404 -0.807 0.475 965 1HD PRO 123 1HD PRO 123 13.939 1.778 -0.074 966 2HD PRO 123 2HD PRO 123 14.836 0.489 -0.924 967 H GLY 124 H GLY 124 10.934 1.697 -0.836 968 1HA GLY 124 1HA GLY 124 9.087 3.021 -0.941 969 2HA GLY 124 2HA GLY 124 9.254 3.022 -2.701 970 H PHE 125 H PHE 125 8.251 0.836 -0.038 971 HA PHE 125 HA PHE 125 6.714 -0.960 -1.642 972 1HB PHE 125 1HB PHE 125 6.954 -0.397 1.325 973 2HB PHE 125 2HB PHE 125 5.823 -1.586 0.696 974 HD1 PHE 125 HD1 PHE 125 9.499 -0.729 0.593 975 HD2 PHE 125 HD2 PHE 125 6.473 -3.805 0.540 976 HE1 PHE 125 HE1 PHE 125 11.247 -2.468 0.831 977 HE2 PHE 125 HE2 PHE 125 8.234 -5.535 0.701 978 HZ PHE 125 1HZ PHE 125 10.625 -4.871 0.849 979 H ASN 126 H ASN 126 5.049 -0.013 -2.835 980 HA ASN 126 HA ASN 126 2.986 1.606 -1.448 981 1HB ASN 126 1HB ASN 126 3.265 0.736 -4.340 982 2HB ASN 126 2HB ASN 126 1.933 1.683 -3.678 983 1HD2 ASN 126 1HD2 ASN 126 5.544 3.443 -4.522 984 2HD2 ASN 126 2HD2 ASN 126 5.339 1.708 -4.614 985 H LEU 127 H LEU 127 2.117 0.125 0.032 986 HA LEU 127 HA LEU 127 0.961 -2.415 -0.844 987 1HB LEU 127 1HB LEU 127 0.764 -0.744 1.690 988 2HB LEU 127 2HB LEU 127 -0.270 -2.136 1.416 989 HG LEU 127 HG LEU 127 1.657 -2.624 2.837 990 1HD1 LEU 127 1HD1 LEU 127 0.536 -4.410 1.553 991 2HD1 LEU 127 2HD1 LEU 127 1.691 -4.190 0.226 992 3HD1 LEU 127 3HD1 LEU 127 2.258 -4.739 1.810 993 1HD2 LEU 127 1HD2 LEU 127 3.336 -1.156 1.719 994 2HD2 LEU 127 2HD2 LEU 127 3.905 -2.812 1.997 995 3HD2 LEU 127 3HD2 LEU 127 3.411 -2.318 0.370 996 H ILE 128 H ILE 128 -0.629 -2.350 -2.275 997 HA ILE 128 HA ILE 128 -2.908 -0.462 -1.901 998 HB ILE 128 HB ILE 128 -1.557 -1.285 -4.498 999 1HG1 ILE 128 1HG1 ILE 128 -1.915 1.400 -3.080 1000 2HG1 ILE 128 2HG1 ILE 128 -0.408 0.477 -3.284 1001 1HG2 ILE 128 1HG2 ILE 128 -4.123 0.291 -4.012 1002 2HG2 ILE 128 2HG2 ILE 128 -3.337 0.084 -5.594 1003 3HG2 ILE 128 3HG2 ILE 128 -4.008 -1.308 -4.772 1004 1HD1 ILE 128 1HD1 ILE 128 -0.571 0.795 -5.752 1005 2HD1 ILE 128 2HD1 ILE 128 -1.992 1.834 -5.509 1006 3HD1 ILE 128 3HD1 ILE 128 -0.427 2.313 -4.851 1007 H THR 129 H THR 129 -4.839 -1.411 -1.863 1008 HA THR 129 HA THR 129 -5.251 -4.171 -2.836 1009 HB THR 129 HB THR 129 -5.833 -3.300 0.038 1010 HG1 THR 129 HG1 THR 129 -4.224 -4.807 0.549 1011 1HG2 THR 129 1HG2 THR 129 -6.387 -5.699 0.358 1012 2HG2 THR 129 2HG2 THR 129 -7.464 -4.954 -0.835 1013 H LYS 130 H LYS 130 -7.040 -3.924 -4.128 1014 HA LYS 130 HA LYS 130 -8.793 -1.667 -3.868 1015 1HB LYS 130 1HB LYS 130 -8.331 -2.693 -6.006 1016 2HB LYS 130 2HB LYS 130 -9.032 -4.232 -5.495 1017 1HG LYS 130 1HG LYS 130 -10.757 -1.778 -5.265 1018 2HG LYS 130 2HG LYS 130 -10.386 -2.317 -6.897 1019 1HD LYS 130 1HD LYS 130 -11.458 -4.296 -4.859 1020 2HD LYS 130 2HD LYS 130 -12.541 -3.231 -5.749 1021 1HE LYS 130 1HE LYS 130 -11.718 -4.066 -7.894 1022 2HE LYS 130 2HE LYS 130 -10.554 -5.119 -7.072 1023 1HZ LYS 130 1HZ LYS 130 -13.473 -5.267 -6.832 1024 2HZ LYS 130 2HZ LYS 130 -12.516 -6.287 -7.706 1025 3HZ LYS 130 3HZ LYS 130 -12.394 -6.249 -6.061 1026 H VAL 131 H VAL 131 -10.677 -1.432 -2.771 1027 HA VAL 131 HA VAL 131 -11.979 -3.815 -1.590 1028 HB VAL 131 HB VAL 131 -12.254 -2.776 0.541 1029 1HG1 VAL 131 1HG1 VAL 131 -10.126 -4.040 0.096 1030 2HG1 VAL 131 2HG1 VAL 131 -9.314 -2.480 -0.135 1031 3HG1 VAL 131 3HG1 VAL 131 -10.041 -2.874 1.429 1032 1HG2 VAL 131 1HG2 VAL 131 -10.774 -0.371 -0.596 1033 2HG2 VAL 131 2HG2 VAL 131 -12.441 -0.431 0.008 1034 3HG2 VAL 131 3HG2 VAL 131 -11.095 -0.630 1.133 1035 H VAL 132 H VAL 132 -14.141 -3.575 -1.051 1036 HA VAL 132 HA VAL 132 -15.615 -1.762 -2.856 1037 HB VAL 132 HB VAL 132 -16.563 -4.130 -1.184 1038 1HG1 VAL 132 1HG1 VAL 132 -18.350 -2.518 -1.910 1039 2HG1 VAL 132 2HG1 VAL 132 -17.809 -2.736 -3.582 1040 3HG1 VAL 132 3HG1 VAL 132 -18.496 -4.104 -2.688 1041 1HG2 VAL 132 1HG2 VAL 132 -15.610 -4.014 -4.073 1042 2HG2 VAL 132 2HG2 VAL 132 -14.920 -4.980 -2.753 1043 3HG2 VAL 132 3HG2 VAL 132 -16.531 -5.361 -3.373 1044 H ILE 133 H ILE 133 -15.876 0.226 -1.871 1045 HA ILE 133 HA ILE 133 -16.565 0.373 1.010 1046 HB ILE 133 HB ILE 133 -15.942 2.587 -0.975 1047 1HG1 ILE 133 1HG1 ILE 133 -14.234 1.141 1.097 1048 2HG1 ILE 133 2HG1 ILE 133 -14.007 1.190 -0.678 1049 1HG2 ILE 133 1HG2 ILE 133 -17.389 3.310 0.927 1050 2HG2 ILE 133 2HG2 ILE 133 -16.219 2.617 2.067 1051 3HG2 ILE 133 3HG2 ILE 133 -15.789 4.007 1.045 1052 1HD1 ILE 133 1HD1 ILE 133 -13.651 3.707 -0.435 1053 2HD1 ILE 133 2HD1 ILE 133 -13.622 3.476 1.332 1054 3HD1 ILE 133 3HD1 ILE 133 -12.407 2.686 0.323 1055 H GLU 134 H GLU 134 -18.560 0.779 1.703 1056 HA GLU 134 HA GLU 134 -20.683 1.732 -0.179 1057 1HB GLU 134 1HB GLU 134 -21.066 -0.565 0.663 1058 2HB GLU 134 2HB GLU 134 -20.963 0.030 2.330 1059 1HG GLU 134 1HG GLU 134 -22.900 1.593 1.805 1060 2HG GLU 134 2HG GLU 134 -23.020 0.818 0.220 1061 H LYS 135 H LYS 135 -20.381 3.937 0.142 1062 HA LYS 135 HA LYS 135 -20.052 5.081 2.775 1063 1HB LYS 135 1HB LYS 135 -20.214 7.207 1.709 1064 2HB LYS 135 2HB LYS 135 -19.181 6.148 0.746 1065 1HG LYS 135 1HG LYS 135 -21.152 5.735 -0.788 1066 2HG LYS 135 2HG LYS 135 -22.066 6.941 0.149 1067 1HD LYS 135 1HD LYS 135 -20.266 8.618 -0.324 1068 2HD LYS 135 2HD LYS 135 -19.487 7.436 -1.391 1069 1HE LYS 135 1HE LYS 135 -22.309 8.567 -1.711 1070 2HE LYS 135 2HE LYS 135 -20.883 9.056 -2.644 1071 1HZ LYS 135 1HZ LYS 135 -20.741 6.828 -3.482 1072 2HZ LYS 135 2HZ LYS 135 -22.084 6.381 -2.635 1073 3HZ LYS 135 3HZ LYS 135 -22.204 7.501 -3.838 1074 H LYS 136 H LYS 136 -21.573 5.695 4.195 1075 HA LYS 136 HA LYS 136 -24.389 4.968 3.640 1076 1HB LYS 136 1HB LYS 136 -24.647 4.909 6.025 1077 2HB LYS 136 2HB LYS 136 -23.215 3.987 5.554 1078 1HG LYS 136 1HG LYS 136 -21.850 6.104 6.122 1079 2HG LYS 136 2HG LYS 136 -23.340 6.766 6.805 1080 1HD LYS 136 1HD LYS 136 -22.112 5.883 8.614 1081 2HD LYS 136 2HD LYS 136 -23.418 4.719 8.330 1082 1HE LYS 136 1HE LYS 136 -21.832 3.225 7.147 1083 2HE LYS 136 2HE LYS 136 -20.564 4.461 7.267 1084 1HZ LYS 136 1HZ LYS 136 -20.647 4.233 9.627 1085 2HZ LYS 136 2HZ LYS 136 -21.833 3.091 9.522 1086 3HZ LYS 136 3HZ LYS 136 -20.331 2.779 8.915 No H/Q in entry = 1086 Start of MODEL 11 1 H SER 1 H SER 1 -17.230 8.469 4.904 2 HA SER 1 HA SER 1 -17.572 10.773 4.453 3 1HB SER 1 1HB SER 1 -15.804 12.325 4.066 4 2HB SER 1 2HB SER 1 -15.324 11.341 5.460 5 HG SER 1 HG SER 1 -14.134 10.052 3.870 6 H SER 2 H SER 2 -15.716 8.420 2.626 7 HA SER 2 HA SER 2 -15.629 7.810 0.474 8 1HB SER 2 1HB SER 2 -18.207 9.398 0.059 9 2HB SER 2 2HB SER 2 -17.561 8.104 -0.955 10 HG SER 2 HG SER 2 -18.362 7.852 1.751 11 H SER 3 H SER 3 -13.887 9.689 1.067 12 HA SER 3 HA SER 3 -13.526 11.264 -1.359 13 1HB SER 3 1HB SER 3 -15.166 12.669 -0.132 14 2HB SER 3 2HB SER 3 -14.112 12.656 1.296 15 HG SER 3 HG SER 3 -13.452 13.670 -1.271 16 H PHE 4 H PHE 4 -12.558 10.508 1.960 17 HA PHE 4 HA PHE 4 -10.715 10.387 3.070 18 1HB PHE 4 1HB PHE 4 -8.762 9.659 2.297 19 2HB PHE 4 2HB PHE 4 -9.793 9.196 0.965 20 HD1 PHE 4 HD1 PHE 4 -7.249 11.626 2.168 21 HD2 PHE 4 HD2 PHE 4 -9.191 9.949 -1.284 22 HE1 PHE 4 HE1 PHE 4 -5.721 12.893 0.688 23 HE2 PHE 4 HE2 PHE 4 -7.652 11.187 -2.757 24 HZ PHE 4 1HZ PHE 4 -5.940 12.687 -1.792 25 H ASP 5 H ASP 5 -10.098 11.923 4.430 26 HA ASP 5 HA ASP 5 -10.355 14.691 3.724 27 1HB ASP 5 1HB ASP 5 -9.340 13.325 6.248 28 2HB ASP 5 2HB ASP 5 -9.664 15.056 6.089 29 H LYS 6 H LYS 6 -8.799 16.303 3.775 30 HA LYS 6 HA LYS 6 -6.871 17.357 3.355 31 1HB LYS 6 1HB LYS 6 -5.271 14.793 3.605 32 2HB LYS 6 2HB LYS 6 -4.691 16.447 3.620 33 1HG LYS 6 1HG LYS 6 -6.381 15.175 5.828 34 2HG LYS 6 2HG LYS 6 -4.641 15.423 5.813 35 1HD LYS 6 1HD LYS 6 -5.221 17.229 7.030 36 2HD LYS 6 2HD LYS 6 -5.252 17.970 5.426 37 1HE LYS 6 1HE LYS 6 -7.746 17.713 5.400 38 2HE LYS 6 2HE LYS 6 -7.666 16.873 6.958 39 1HZ LYS 6 1HZ LYS 6 -6.784 18.865 7.907 40 2HZ LYS 6 2HZ LYS 6 -6.846 19.640 6.453 41 3HZ LYS 6 3HZ LYS 6 -8.240 19.158 7.192 42 H GLY 7 H GLY 7 -5.395 17.697 1.580 43 1HA GLY 7 1HA GLY 7 -6.527 16.603 -0.933 44 2HA GLY 7 2HA GLY 7 -5.597 18.086 -0.703 45 H LYS 8 H LYS 8 -5.343 14.535 -0.691 46 HA LYS 8 HA LYS 8 -3.710 13.087 -1.208 47 1HB LYS 8 1HB LYS 8 -4.046 14.522 -3.360 48 2HB LYS 8 2HB LYS 8 -2.516 15.272 -2.952 49 1HG LYS 8 1HG LYS 8 -2.027 13.588 -4.528 50 2HG LYS 8 2HG LYS 8 -1.450 12.964 -2.986 51 1HD LYS 8 1HD LYS 8 -2.507 11.220 -4.256 52 2HD LYS 8 2HD LYS 8 -3.496 11.528 -2.823 53 1HE LYS 8 1HE LYS 8 -5.128 12.757 -4.188 54 2HE LYS 8 2HE LYS 8 -4.062 12.643 -5.605 55 1HZ LYS 8 1HZ LYS 8 -4.318 10.280 -5.516 56 2HZ LYS 8 2HZ LYS 8 -5.299 10.392 -4.195 57 3HZ LYS 8 3HZ LYS 8 -5.787 11.018 -5.640 58 H TYR 9 H TYR 9 -3.289 14.254 1.208 59 HA TYR 9 HA TYR 9 -0.549 15.320 1.343 60 1HB TYR 9 1HB TYR 9 -2.449 16.400 2.488 61 2HB TYR 9 2HB TYR 9 -2.659 14.970 3.494 62 HD1 TYR 9 HD1 TYR 9 -0.239 17.667 2.540 63 HD2 TYR 9 HD2 TYR 9 -1.305 14.702 5.486 64 HE1 TYR 9 HE1 TYR 9 1.450 18.600 4.093 65 HE2 TYR 9 HE2 TYR 9 0.390 15.632 7.031 66 HH TYR 9 HH TYR 9 1.995 17.246 7.368 67 H LYS 10 H LYS 10 0.629 13.460 0.806 68 HA LYS 10 HA LYS 10 0.440 11.024 2.423 69 1HB LYS 10 1HB LYS 10 2.114 10.153 0.910 70 2HB LYS 10 2HB LYS 10 0.755 10.875 0.050 71 1HG LYS 10 1HG LYS 10 2.257 13.004 -0.165 72 2HG LYS 10 2HG LYS 10 3.593 11.943 0.272 73 1HD LYS 10 1HD LYS 10 1.655 11.547 -2.047 74 2HD LYS 10 2HD LYS 10 3.277 12.233 -2.183 75 1HE LYS 10 1HE LYS 10 2.701 9.403 -1.206 76 2HE LYS 10 2HE LYS 10 3.125 9.834 -2.868 77 1HZ LYS 10 1HZ LYS 10 5.183 10.713 -2.078 78 2HZ LYS 10 2HZ LYS 10 4.813 10.305 -0.523 79 3HZ LYS 10 3HZ LYS 10 5.024 9.127 -1.655 80 H LYS 11 H LYS 11 0.854 12.903 4.202 81 HA LYS 11 HA LYS 11 1.996 13.466 5.986 82 1HB LYS 11 1HB LYS 11 2.579 11.124 6.148 83 2HB LYS 11 2HB LYS 11 4.041 11.356 5.182 84 1HG LYS 11 1HG LYS 11 4.999 12.845 6.825 85 2HG LYS 11 2HG LYS 11 3.520 12.844 7.791 86 1HD LYS 11 1HD LYS 11 5.132 10.327 7.181 87 2HD LYS 11 2HD LYS 11 5.472 11.357 8.574 88 1HE LYS 11 1HE LYS 11 2.774 10.008 8.096 89 2HE LYS 11 2HE LYS 11 4.064 9.384 9.134 90 1HZ LYS 11 1HZ LYS 11 3.904 11.374 10.431 91 2HZ LYS 11 2HZ LYS 11 2.681 11.942 9.482 92 3HZ LYS 11 3HZ LYS 11 2.461 10.577 10.378 93 H GLY 12 H GLY 12 4.746 12.915 3.731 94 1HA GLY 12 1HA GLY 12 5.294 15.655 3.196 95 2HA GLY 12 2HA GLY 12 6.251 15.127 4.597 96 H ASP 13 H ASP 13 6.654 12.412 3.861 97 HA ASP 13 HA ASP 13 8.981 12.536 2.298 98 1HB ASP 13 1HB ASP 13 7.171 10.144 2.844 99 2HB ASP 13 2HB ASP 13 8.854 10.071 2.313 100 H ASP 14 H ASP 14 9.408 12.272 0.140 101 HA ASP 14 HA ASP 14 7.545 11.014 -1.661 102 1HB ASP 14 1HB ASP 14 6.581 13.343 -1.502 103 2HB ASP 14 2HB ASP 14 8.104 13.980 -2.123 104 H ALA 15 H ALA 15 9.766 9.976 -1.084 105 HA ALA 15 HA ALA 15 12.005 10.767 -2.806 106 1HB ALA 15 1HB ALA 15 11.458 8.318 -1.076 107 2HB ALA 15 2HB ALA 15 12.968 8.654 -1.954 108 3HB ALA 15 3HB ALA 15 12.443 9.729 -0.642 109 H SER 16 H SER 16 10.724 10.857 -4.765 110 HA SER 16 HA SER 16 9.665 8.279 -5.826 111 1HB SER 16 1HB SER 16 8.935 11.168 -6.436 112 2HB SER 16 2HB SER 16 8.202 9.726 -7.169 113 HG SER 16 HG SER 16 7.011 10.525 -5.382 114 H TYR 17 H TYR 17 11.570 11.210 -6.700 115 HA TYR 17 HA TYR 17 13.029 9.647 -8.696 116 1HB TYR 17 1HB TYR 17 10.863 11.411 -9.480 117 2HB TYR 17 2HB TYR 17 12.383 12.043 -10.081 118 HD1 TYR 17 HD1 TYR 17 13.834 10.682 -11.597 119 HD2 TYR 17 HD2 TYR 17 9.958 9.288 -10.317 120 HE1 TYR 17 HE1 TYR 17 13.983 8.799 -13.193 121 HE2 TYR 17 HE2 TYR 17 10.119 7.397 -11.900 122 HH TYR 17 HH TYR 17 11.401 6.333 -13.491 123 H PHE 18 H PHE 18 14.715 10.984 -9.767 124 HA PHE 18 HA PHE 18 16.623 12.093 -9.695 125 1HB PHE 18 1HB PHE 18 15.262 14.092 -9.605 126 2HB PHE 18 2HB PHE 18 15.178 14.025 -7.850 127 HD1 PHE 18 HD1 PHE 18 17.669 14.212 -10.665 128 HD2 PHE 18 HD2 PHE 18 16.795 15.172 -6.551 129 HE1 PHE 18 HE1 PHE 18 19.801 15.468 -10.499 130 HE2 PHE 18 HE2 PHE 18 18.915 16.443 -6.401 131 HZ PHE 18 1HZ PHE 18 20.428 16.584 -8.368 132 H GLU 19 H GLU 19 17.806 10.455 -8.845 133 HA GLU 19 HA GLU 19 19.381 9.574 -7.594 134 1HB GLU 19 1HB GLU 19 19.053 11.935 -5.684 135 2HB GLU 19 2HB GLU 19 20.407 10.820 -5.736 136 1HG GLU 19 1HG GLU 19 20.870 11.496 -8.097 137 2HG GLU 19 2HG GLU 19 19.592 12.717 -7.976 138 HA PRO 20 HA PRO 20 17.206 7.085 -4.606 139 1HB PRO 20 1HB PRO 20 19.174 5.644 -3.433 140 2HB PRO 20 2HB PRO 20 18.828 5.511 -5.179 141 1HG PRO 20 1HG PRO 20 20.951 7.266 -3.915 142 2HG PRO 20 2HG PRO 20 21.170 6.036 -5.186 143 1HD PRO 20 1HD PRO 20 20.817 8.633 -5.827 144 2HD PRO 20 2HD PRO 20 20.003 7.368 -6.787 145 H THR 21 H THR 21 16.501 9.079 -3.493 146 HA THR 21 HA THR 21 18.048 10.253 -1.384 147 HB THR 21 HB THR 21 15.883 11.419 -0.850 148 HG1 THR 21 HG1 THR 21 14.989 10.034 -3.159 149 1HG2 THR 21 1HG2 THR 21 16.804 11.517 -3.755 150 2HG2 THR 21 2HG2 THR 21 15.878 12.767 -2.905 151 H GLY 22 H GLY 22 15.221 7.977 -1.364 152 1HA GLY 22 1HA GLY 22 16.277 6.393 0.610 153 2HA GLY 22 2HA GLY 22 15.319 7.596 1.503 154 HA PRO 23 HA PRO 23 12.469 4.146 0.103 155 1HB PRO 23 1HB PRO 23 12.151 3.676 3.029 156 2HB PRO 23 2HB PRO 23 12.418 2.478 1.738 157 1HG PRO 23 1HG PRO 23 14.387 3.117 3.523 158 2HG PRO 23 2HG PRO 23 14.777 2.869 1.795 159 1HD PRO 23 1HD PRO 23 14.271 5.503 3.213 160 2HD PRO 23 2HD PRO 23 15.642 5.022 2.178 161 H TYR 24 H TYR 24 10.184 3.773 0.908 162 HA TYR 24 HA TYR 24 9.128 5.231 3.050 163 1HB TYR 24 1HB TYR 24 7.260 6.433 1.901 164 2HB TYR 24 2HB TYR 24 8.844 7.135 1.732 165 HD1 TYR 24 HD1 TYR 24 6.998 4.466 -0.283 166 HD2 TYR 24 HD2 TYR 24 8.804 8.385 -0.206 167 HE1 TYR 24 HE1 TYR 24 6.645 4.678 -2.705 168 HE2 TYR 24 HE2 TYR 24 8.263 8.659 -2.607 169 HH TYR 24 HH TYR 24 7.486 7.656 -4.516 170 H LEU 25 H LEU 25 6.494 4.829 2.953 171 HA LEU 25 HA LEU 25 5.872 2.289 1.703 172 1HB LEU 25 1HB LEU 25 7.163 1.722 3.776 173 2HB LEU 25 2HB LEU 25 5.876 2.418 4.751 174 HG LEU 25 HG LEU 25 5.396 0.195 2.707 175 1HD1 LEU 25 1HD1 LEU 25 6.171 -0.097 5.632 176 2HD1 LEU 25 2HD1 LEU 25 5.593 -1.413 4.582 177 3HD1 LEU 25 3HD1 LEU 25 7.120 -0.606 4.214 178 1HD2 LEU 25 1HD2 LEU 25 3.852 1.099 5.162 179 2HD2 LEU 25 2HD2 LEU 25 3.326 1.196 3.459 180 3HD2 LEU 25 3HD2 LEU 25 3.499 -0.374 4.236 181 H MET 26 H MET 26 4.127 3.142 0.685 182 HA MET 26 HA MET 26 2.241 4.934 2.022 183 1HB MET 26 1HB MET 26 2.340 3.741 -0.769 184 2HB MET 26 2HB MET 26 1.100 4.871 -0.183 185 1HG MET 26 1HG MET 26 2.907 6.488 0.385 186 2HG MET 26 2HG MET 26 4.080 5.429 -0.417 187 1HE MET 26 1HE MET 26 2.607 4.428 -3.024 188 2HE MET 26 2HE MET 26 2.989 5.725 -4.175 189 3HE MET 26 3HE MET 26 4.236 5.152 -3.049 190 H VAL 27 H VAL 27 0.783 4.106 3.373 191 HA VAL 27 HA VAL 27 -0.391 1.400 2.966 192 HB VAL 27 HB VAL 27 -0.424 3.299 5.351 193 1HG1 VAL 27 1HG1 VAL 27 -2.344 1.696 5.313 194 2HG1 VAL 27 2HG1 VAL 27 -1.191 0.350 5.171 195 3HG1 VAL 27 3HG1 VAL 27 -1.211 1.363 6.627 196 1HG2 VAL 27 1HG2 VAL 27 1.244 0.808 4.850 197 2HG2 VAL 27 2HG2 VAL 27 1.853 2.484 4.911 198 3HG2 VAL 27 3HG2 VAL 27 1.179 1.746 6.357 199 H ASN 28 H ASN 28 -1.883 1.914 1.283 200 HA ASN 28 HA ASN 28 -4.218 3.558 2.083 201 1HB ASN 28 1HB ASN 28 -2.455 4.054 -0.356 202 2HB ASN 28 2HB ASN 28 -4.078 4.728 -0.160 203 1HD2 ASN 28 1HD2 ASN 28 -3.257 7.010 2.481 204 2HD2 ASN 28 2HD2 ASN 28 -4.509 5.913 1.953 205 H VAL 29 H VAL 29 -5.801 3.583 0.122 206 HA VAL 29 HA VAL 29 -6.174 0.811 -0.888 207 HB VAL 29 HB VAL 29 -8.231 2.475 0.632 208 1HG1 VAL 29 1HG1 VAL 29 -8.291 -0.361 -0.486 209 2HG1 VAL 29 2HG1 VAL 29 -9.496 0.310 0.633 210 3HG1 VAL 29 3HG1 VAL 29 -9.316 1.004 -0.979 211 1HG2 VAL 29 1HG2 VAL 29 -6.687 0.027 1.547 212 2HG2 VAL 29 2HG2 VAL 29 -6.572 1.662 2.247 213 3HG2 VAL 29 3HG2 VAL 29 -8.062 0.735 2.405 214 H THR 30 H THR 30 -7.250 0.675 -2.799 215 HA THR 30 HA THR 30 -8.112 3.148 -4.215 216 HB THR 30 HB THR 30 -7.757 0.291 -5.220 217 HG1 THR 30 HG1 THR 30 -6.133 2.600 -5.478 218 1HG2 THR 30 1HG2 THR 30 -9.380 1.621 -6.574 219 2HG2 THR 30 2HG2 THR 30 -8.174 2.918 -6.715 220 H GLY 31 H GLY 31 -9.901 3.449 -2.752 221 1HA GLY 31 1HA GLY 31 -11.818 1.363 -2.219 222 2HA GLY 31 2HA GLY 31 -11.923 3.076 -1.787 223 H VAL 32 H VAL 32 -13.241 0.676 -3.744 224 HA VAL 32 HA VAL 32 -14.533 2.642 -5.581 225 HB VAL 32 HB VAL 32 -14.765 0.812 -7.177 226 1HG1 VAL 32 1HG1 VAL 32 -12.823 2.292 -7.403 227 2HG1 VAL 32 2HG1 VAL 32 -11.866 1.231 -6.348 228 3HG1 VAL 32 3HG1 VAL 32 -12.435 0.648 -7.922 229 1HG2 VAL 32 1HG2 VAL 32 -14.706 -1.116 -5.568 230 2HG2 VAL 32 2HG2 VAL 32 -13.637 -1.298 -6.960 231 3HG2 VAL 32 3HG2 VAL 32 -12.960 -0.850 -5.381 232 H ASP 33 H ASP 33 -16.692 1.992 -6.333 233 HA ASP 33 HA ASP 33 -18.412 1.023 -4.171 234 1HB ASP 33 1HB ASP 33 -18.901 1.943 -7.036 235 2HB ASP 33 2HB ASP 33 -20.191 1.381 -5.971 236 H SER 34 H SER 34 -20.171 -0.570 -4.857 237 HA SER 34 HA SER 34 -19.225 -3.140 -5.626 238 1HB SER 34 1HB SER 34 -21.280 -2.737 -4.323 239 2HB SER 34 2HB SER 34 -22.029 -1.953 -5.730 240 HG SER 34 HG SER 34 -22.588 -4.164 -5.538 241 H LYS 35 H LYS 35 -20.703 -0.444 -7.453 242 HA LYS 35 HA LYS 35 -20.796 -1.657 -10.015 243 1HB LYS 35 1HB LYS 35 -21.983 0.393 -9.527 244 2HB LYS 35 2HB LYS 35 -20.490 1.226 -9.083 245 1HG LYS 35 1HG LYS 35 -21.291 1.922 -11.278 246 2HG LYS 35 2HG LYS 35 -19.698 1.169 -11.400 247 1HD LYS 35 1HD LYS 35 -20.744 -0.927 -12.219 248 2HD LYS 35 2HD LYS 35 -22.358 -0.212 -12.002 249 1HE LYS 35 1HE LYS 35 -21.797 1.539 -13.666 250 2HE LYS 35 2HE LYS 35 -20.175 0.842 -13.856 251 1HZ LYS 35 1HZ LYS 35 -21.195 -1.161 -14.641 252 2HZ LYS 35 2HZ LYS 35 -22.702 -0.515 -14.463 253 3HZ LYS 35 3HZ LYS 35 -21.655 0.124 -15.566 254 H GLY 36 H GLY 36 -18.338 0.557 -8.574 255 1HA GLY 36 1HA GLY 36 -15.990 -0.488 -8.815 256 2HA GLY 36 2HA GLY 36 -16.300 -0.359 -10.550 257 H ASN 37 H ASN 37 -17.894 2.262 -9.168 258 HA ASN 37 HA ASN 37 -16.011 4.115 -10.292 259 1HB ASN 37 1HB ASN 37 -18.433 4.608 -8.521 260 2HB ASN 37 2HB ASN 37 -17.611 5.808 -9.527 261 1HD2 ASN 37 1HD2 ASN 37 -20.714 4.101 -11.157 262 2HD2 ASN 37 2HD2 ASN 37 -20.444 4.556 -9.488 263 H GLU 38 H GLU 38 -14.343 5.152 -9.326 264 HA GLU 38 HA GLU 38 -13.493 4.365 -6.726 265 1HB GLU 38 1HB GLU 38 -11.974 4.832 -8.580 266 2HB GLU 38 2HB GLU 38 -12.421 6.549 -8.539 267 1HG GLU 38 1HG GLU 38 -11.532 6.740 -6.243 268 2HG GLU 38 2HG GLU 38 -11.233 4.992 -6.196 269 H LEU 39 H LEU 39 -14.567 4.985 -4.965 270 HA LEU 39 HA LEU 39 -15.848 7.532 -4.550 271 1HB LEU 39 1HB LEU 39 -14.904 5.330 -2.679 272 2HB LEU 39 2HB LEU 39 -15.853 6.726 -2.151 273 HG LEU 39 HG LEU 39 -16.773 4.614 -4.157 274 1HD1 LEU 39 1HD1 LEU 39 -16.545 3.779 -1.850 275 2HD1 LEU 39 2HD1 LEU 39 -17.556 5.114 -1.255 276 3HD1 LEU 39 3HD1 LEU 39 -18.248 3.879 -2.326 277 1HD2 LEU 39 1HD2 LEU 39 -18.167 7.052 -2.952 278 2HD2 LEU 39 2HD2 LEU 39 -17.918 6.692 -4.674 279 3HD2 LEU 39 3HD2 LEU 39 -19.039 5.720 -3.716 280 H LEU 40 H LEU 40 -12.713 6.104 -3.505 281 HA LEU 40 HA LEU 40 -11.614 8.821 -3.245 282 1HB LEU 40 1HB LEU 40 -10.760 8.466 -1.023 283 2HB LEU 40 2HB LEU 40 -12.507 8.352 -1.074 284 HG LEU 40 HG LEU 40 -12.162 5.766 -1.089 285 1HD1 LEU 40 1HD1 LEU 40 -9.436 6.692 -0.036 286 2HD1 LEU 40 2HD1 LEU 40 -10.106 5.064 0.165 287 3HD1 LEU 40 3HD1 LEU 40 -9.698 5.643 -1.442 288 1HD2 LEU 40 1HD2 LEU 40 -11.455 7.529 1.293 289 2HD2 LEU 40 2HD2 LEU 40 -13.090 7.065 0.780 290 3HD2 LEU 40 3HD2 LEU 40 -11.971 5.840 1.407 291 H SER 41 H SER 41 -9.375 8.955 -3.251 292 HA SER 41 HA SER 41 -8.088 6.760 -4.775 293 1HB SER 41 1HB SER 41 -7.560 9.755 -4.654 294 2HB SER 41 2HB SER 41 -6.663 8.605 -5.663 295 HG SER 41 HG SER 41 -8.620 8.111 -6.702 296 HA PRO 42 HA PRO 42 -5.232 6.258 -1.436 297 1HB PRO 42 1HB PRO 42 -3.091 5.074 -2.639 298 2HB PRO 42 2HB PRO 42 -4.697 4.304 -2.599 299 1HG PRO 42 1HG PRO 42 -3.534 5.992 -4.832 300 2HG PRO 42 2HG PRO 42 -4.207 4.337 -4.956 301 1HD PRO 42 1HD PRO 42 -5.735 6.503 -5.496 302 2HD PRO 42 2HD PRO 42 -6.418 5.119 -4.594 303 H HIS 43 H HIS 43 -2.661 6.478 -1.100 304 HA HIS 43 HA HIS 43 -0.818 7.687 -0.824 305 1HB HIS 43 1HB HIS 43 -1.616 9.425 -3.174 306 2HB HIS 43 2HB HIS 43 -0.018 9.227 -2.463 307 HD1 HIS 43 HD1 HIS 43 -0.687 8.607 -5.541 308 HD2 HIS 43 HD2 HIS 43 -0.431 5.841 -2.382 309 HE1 HIS 43 HE1 HIS 43 -0.143 6.341 -6.589 310 H TYR 44 H TYR 44 -2.204 8.168 1.111 311 HA TYR 44 HA TYR 44 -1.911 11.011 1.667 312 1HB TYR 44 1HB TYR 44 -4.176 11.381 2.430 313 2HB TYR 44 2HB TYR 44 -4.128 10.968 0.725 314 HD1 TYR 44 HD1 TYR 44 -5.134 9.829 4.084 315 HD2 TYR 44 HD2 TYR 44 -5.162 8.910 -0.121 316 HE1 TYR 44 HE1 TYR 44 -6.572 7.867 4.525 317 HE2 TYR 44 HE2 TYR 44 -6.754 7.046 0.307 318 HH TYR 44 HH TYR 44 -7.822 6.166 3.607 319 H VAL 45 H VAL 45 -1.606 7.827 2.633 320 HA VAL 45 HA VAL 45 -0.852 8.697 5.355 321 HB VAL 45 HB VAL 45 -2.499 6.226 4.675 322 1HG1 VAL 45 1HG1 VAL 45 -1.020 6.911 7.253 323 2HG1 VAL 45 2HG1 VAL 45 -2.195 5.591 7.066 324 3HG1 VAL 45 3HG1 VAL 45 -0.671 5.540 6.180 325 1HG2 VAL 45 1HG2 VAL 45 -2.946 8.492 6.666 326 2HG2 VAL 45 2HG2 VAL 45 -3.833 8.237 5.153 327 3HG2 VAL 45 3HG2 VAL 45 -3.989 7.068 6.464 328 H GLU 46 H GLU 46 1.279 8.446 5.357 329 HA GLU 46 HA GLU 46 2.551 6.102 4.068 330 1HB GLU 46 1HB GLU 46 2.445 7.940 2.401 331 2HB GLU 46 2HB GLU 46 3.240 9.024 3.554 332 1HG GLU 46 1HG GLU 46 5.283 7.647 3.477 333 2HG GLU 46 2HG GLU 46 4.465 6.455 2.449 334 H PHE 47 H PHE 47 4.576 5.585 4.932 335 HA PHE 47 HA PHE 47 5.477 7.075 7.335 336 1HB PHE 47 1HB PHE 47 5.090 4.061 7.192 337 2HB PHE 47 2HB PHE 47 5.636 4.980 8.588 338 HD1 PHE 47 HD1 PHE 47 3.976 6.739 9.585 339 HD2 PHE 47 HD2 PHE 47 2.795 3.586 6.897 340 HE1 PHE 47 HE1 PHE 47 1.630 6.939 10.375 341 HE2 PHE 47 HE2 PHE 47 0.460 3.756 7.725 342 HZ PHE 47 1HZ PHE 47 -0.125 5.437 9.456 343 HA PRO 48 HA PRO 48 9.497 5.872 5.574 344 1HB PRO 48 1HB PRO 48 11.119 6.184 7.741 345 2HB PRO 48 2HB PRO 48 10.413 7.574 6.867 346 1HG PRO 48 1HG PRO 48 9.381 6.279 9.400 347 2HG PRO 48 2HG PRO 48 9.641 8.018 9.088 348 1HD PRO 48 1HD PRO 48 7.200 6.827 8.832 349 2HD PRO 48 2HD PRO 48 7.704 8.147 7.734 350 H ILE 49 H ILE 49 10.393 3.833 5.377 351 HA ILE 49 HA ILE 49 8.894 1.751 6.483 352 HB ILE 49 HB ILE 49 9.976 1.803 4.254 353 1HG1 ILE 49 1HG1 ILE 49 10.745 -0.713 5.797 354 2HG1 ILE 49 2HG1 ILE 49 9.064 -0.253 5.442 355 1HG2 ILE 49 1HG2 ILE 49 12.260 2.562 5.077 356 2HG2 ILE 49 2HG2 ILE 49 12.530 0.918 5.679 357 3HG2 ILE 49 3HG2 ILE 49 12.301 1.199 3.948 358 1HD1 ILE 49 1HD1 ILE 49 9.603 -0.216 3.017 359 2HD1 ILE 49 2HD1 ILE 49 11.255 -0.773 3.373 360 3HD1 ILE 49 3HD1 ILE 49 9.869 -1.812 3.748 361 H LYS 50 H LYS 50 9.313 0.095 7.895 362 HA LYS 50 HA LYS 50 11.777 0.106 9.560 363 1HB LYS 50 1HB LYS 50 8.926 0.195 10.603 364 2HB LYS 50 2HB LYS 50 10.349 -0.274 11.556 365 1HG LYS 50 1HG LYS 50 11.386 1.941 11.077 366 2HG LYS 50 2HG LYS 50 9.913 2.423 10.208 367 1HD LYS 50 1HD LYS 50 8.579 2.149 12.260 368 2HD LYS 50 2HD LYS 50 10.012 1.565 13.129 369 1HE LYS 50 1HE LYS 50 9.622 3.897 13.688 370 2HE LYS 50 2HE LYS 50 11.130 3.754 12.769 371 1HZ LYS 50 1HZ LYS 50 8.529 4.573 11.679 372 2HZ LYS 50 2HZ LYS 50 9.786 5.579 12.035 373 3HZ LYS 50 3HZ LYS 50 9.938 4.467 10.829 374 HA PRO 51 HA PRO 51 10.464 -3.947 7.799 375 1HB PRO 51 1HB PRO 51 12.883 -4.941 7.055 376 2HB PRO 51 2HB PRO 51 12.094 -3.606 6.161 377 1HG PRO 51 1HG PRO 51 14.211 -3.367 8.310 378 2HG PRO 51 2HG PRO 51 14.219 -2.633 6.679 379 1HD PRO 51 1HD PRO 51 13.371 -1.280 8.885 380 2HD PRO 51 2HD PRO 51 12.578 -1.038 7.300 381 H GLY 52 H GLY 52 10.657 -6.137 8.551 382 1HA GLY 52 1HA GLY 52 12.030 -7.583 10.179 383 2HA GLY 52 2HA GLY 52 11.579 -6.366 11.384 384 H THR 53 H THR 53 8.905 -5.886 10.174 385 HA THR 53 HA THR 53 7.452 -7.850 11.662 386 HB THR 53 1HB THR 53 6.779 -5.490 11.445 387 HG1 THR 53 HG1 THR 53 5.258 -7.125 11.916 388 1HG2 THR 53 1HG2 THR 53 5.975 -6.174 8.577 389 2HG2 THR 53 2HG2 THR 53 5.664 -4.660 9.439 390 H THR 54 H THR 54 5.799 -9.283 10.879 391 HA THR 54 HA THR 54 6.455 -10.753 8.464 392 HB THR 54 HB THR 54 4.070 -10.969 10.346 393 HG1 THR 54 HG1 THR 54 6.549 -12.343 10.262 394 1HG2 THR 54 1HG2 THR 54 3.961 -13.306 9.480 395 2HG2 THR 54 2HG2 THR 54 3.627 -12.117 8.213 396 H LEU 55 H LEU 55 5.218 -10.851 6.565 397 HA LEU 55 HA LEU 55 3.321 -8.601 6.093 398 1HB LEU 55 1HB LEU 55 5.856 -8.456 5.333 399 2HB LEU 55 2HB LEU 55 5.336 -9.494 4.024 400 HG LEU 55 HG LEU 55 5.328 -7.221 3.310 401 1HD1 LEU 55 1HD1 LEU 55 3.455 -8.614 2.481 402 2HD1 LEU 55 2HD1 LEU 55 2.422 -7.976 3.780 403 3HD1 LEU 55 3HD1 LEU 55 3.056 -6.890 2.528 404 1HD2 LEU 55 1HD2 LEU 55 5.144 -6.170 5.578 405 2HD2 LEU 55 2HD2 LEU 55 4.144 -5.407 4.334 406 3HD2 LEU 55 3HD2 LEU 55 3.397 -6.463 5.541 407 H THR 56 H THR 56 1.767 -10.222 6.587 408 HA THR 56 HA THR 56 1.113 -12.039 4.317 409 HB THR 56 HB THR 56 1.564 -13.269 6.375 410 HG1 THR 56 HG1 THR 56 -0.414 -14.321 6.514 411 1HG2 THR 56 1HG2 THR 56 1.137 -11.595 8.096 412 2HG2 THR 56 2HG2 THR 56 -0.583 -11.560 7.658 413 H LYS 57 H LYS 57 -1.351 -12.385 4.218 414 HA LYS 57 HA LYS 57 -2.536 -10.007 3.386 415 1HB LYS 57 1HB LYS 57 -3.045 -12.277 2.608 416 2HB LYS 57 2HB LYS 57 -3.888 -12.639 4.111 417 1HG LYS 57 1HG LYS 57 -4.671 -10.253 2.385 418 2HG LYS 57 2HG LYS 57 -5.170 -11.875 1.918 419 1HD LYS 57 1HD LYS 57 -5.889 -10.663 4.619 420 2HD LYS 57 2HD LYS 57 -6.890 -10.569 3.170 421 1HE LYS 57 1HE LYS 57 -6.967 -13.042 3.046 422 2HE LYS 57 2HE LYS 57 -6.025 -13.146 4.547 423 1HZ LYS 57 1HZ LYS 57 -8.644 -11.871 4.265 424 2HZ LYS 57 2HZ LYS 57 -8.347 -13.341 4.950 425 3HZ LYS 57 3HZ LYS 57 -7.762 -11.969 5.654 426 H GLU 58 H GLU 58 -3.021 -11.773 6.501 427 HA GLU 58 HA GLU 58 -5.028 -9.965 7.402 428 1HB GLU 58 1HB GLU 58 -4.942 -11.061 9.515 429 2HB GLU 58 2HB GLU 58 -4.961 -12.197 8.178 430 1HG GLU 58 1HG GLU 58 -3.499 -13.100 9.779 431 2HG GLU 58 2HG GLU 58 -2.495 -12.547 8.446 432 H LYS 59 H LYS 59 -1.531 -9.777 7.505 433 HA LYS 59 HA LYS 59 -1.404 -7.639 9.462 434 1HB LYS 59 1HB LYS 59 0.492 -9.094 7.667 435 2HB LYS 59 2HB LYS 59 0.961 -7.460 8.110 436 1HG LYS 59 1HG LYS 59 0.094 -9.448 10.227 437 2HG LYS 59 2HG LYS 59 1.746 -9.419 9.591 438 1HD LYS 59 1HD LYS 59 2.002 -7.052 10.240 439 2HD LYS 59 2HD LYS 59 0.333 -7.015 10.829 440 1HE LYS 59 1HE LYS 59 1.836 -7.257 12.704 441 2HE LYS 59 2HE LYS 59 0.891 -8.745 12.522 442 1HZ LYS 59 1HZ LYS 59 3.641 -8.336 11.569 443 2HZ LYS 59 2HZ LYS 59 3.210 -9.160 12.931 444 3HZ LYS 59 3HZ LYS 59 2.771 -9.732 11.450 445 H ILE 60 H ILE 60 -2.020 -7.810 5.984 446 HA ILE 60 HA ILE 60 -1.492 -4.915 5.657 447 HB ILE 60 HB ILE 60 -2.265 -7.102 3.703 448 1HG1 ILE 60 1HG1 ILE 60 0.027 -7.364 4.324 449 2HG1 ILE 60 2HG1 ILE 60 -0.010 -6.554 2.732 450 1HG2 ILE 60 1HG2 ILE 60 -1.795 -4.136 3.207 451 2HG2 ILE 60 2HG2 ILE 60 -1.837 -5.382 1.942 452 3HG2 ILE 60 3HG2 ILE 60 -3.277 -5.062 2.907 453 1HD1 ILE 60 1HD1 ILE 60 0.335 -4.351 4.033 454 2HD1 ILE 60 2HD1 ILE 60 0.682 -5.364 5.452 455 3HD1 ILE 60 3HD1 ILE 60 1.686 -5.489 4.010 456 H GLU 61 H GLU 61 -4.294 -7.169 5.357 457 HA GLU 61 HA GLU 61 -6.052 -5.268 4.426 458 1HB GLU 61 1HB GLU 61 -7.803 -6.763 4.836 459 2HB GLU 61 2HB GLU 61 -6.376 -7.738 4.458 460 1HG GLU 61 1HG GLU 61 -6.058 -8.034 6.970 461 2HG GLU 61 2HG GLU 61 -7.630 -7.253 7.201 462 H TYR 62 H TYR 62 -5.337 -6.001 7.866 463 HA TYR 62 HA TYR 62 -7.398 -4.232 8.829 464 1HB TYR 62 1HB TYR 62 -6.962 -4.973 10.871 465 2HB TYR 62 2HB TYR 62 -6.360 -6.342 9.954 466 HD1 TYR 62 HD1 TYR 62 -3.604 -5.660 9.238 467 HD2 TYR 62 HD2 TYR 62 -5.789 -4.823 12.855 468 HE1 TYR 62 HE1 TYR 62 -1.469 -5.379 10.484 469 HE2 TYR 62 HE2 TYR 62 -3.665 -4.532 14.078 470 HH TYR 62 HH TYR 62 -0.475 -4.910 12.482 471 H TYR 63 H TYR 63 -3.986 -3.877 8.007 472 HA TYR 63 HA TYR 63 -3.559 -1.485 9.515 473 1HB TYR 63 1HB TYR 63 -1.808 -3.112 8.978 474 2HB TYR 63 2HB TYR 63 -2.009 -2.792 7.256 475 HD1 TYR 63 HD1 TYR 63 -1.908 -0.073 9.869 476 HD2 TYR 63 HD2 TYR 63 0.315 -2.311 6.915 477 HE1 TYR 63 HE1 TYR 63 -0.005 1.457 10.139 478 HE2 TYR 63 HE2 TYR 63 2.246 -0.799 7.241 479 HH TYR 63 HH TYR 63 2.156 1.962 9.526 480 H VAL 64 H VAL 64 -4.277 -2.198 6.062 481 HA VAL 64 HA VAL 64 -4.330 0.600 5.290 482 HB VAL 64 HB VAL 64 -5.147 -0.123 3.193 483 1HG1 VAL 64 1HG1 VAL 64 -2.766 -0.370 3.570 484 2HG1 VAL 64 2HG1 VAL 64 -2.990 -2.036 4.148 485 3HG1 VAL 64 3HG1 VAL 64 -3.364 -1.614 2.469 486 1HG2 VAL 64 1HG2 VAL 64 -5.554 -2.876 4.414 487 2HG2 VAL 64 2HG2 VAL 64 -6.805 -1.800 3.771 488 3HG2 VAL 64 3HG2 VAL 64 -5.616 -2.524 2.682 489 H GLU 65 H GLU 65 -6.615 -1.616 6.796 490 HA GLU 65 HA GLU 65 -8.955 -0.013 6.270 491 1HB GLU 65 1HB GLU 65 -9.099 -2.376 6.868 492 2HB GLU 65 2HB GLU 65 -8.413 -2.035 8.469 493 1HG GLU 65 1HG GLU 65 -10.359 -0.639 9.027 494 2HG GLU 65 2HG GLU 65 -10.997 -0.840 7.385 495 H TRP 66 H TRP 66 -6.354 0.001 8.724 496 HA TRP 66 HA TRP 66 -7.591 2.039 10.381 497 1HB TRP 66 1HB TRP 66 -4.691 1.248 10.173 498 2HB TRP 66 2HB TRP 66 -5.448 2.188 11.451 499 HD1 TRP 66 HD1 TRP 66 -3.791 -0.325 12.087 500 HE1 TRP 66 HE1 TRP 66 -4.779 -2.314 13.314 501 HE3 TRP 66 HE3 TRP 66 -8.791 0.384 10.985 502 HZ2 TRP 66 HZ2 TRP 66 -7.392 -3.454 13.805 503 HZ3 TRP 66 HZ3 TRP 66 -10.456 -1.193 11.815 504 HH2 TRP 66 HH2 TRP 66 -9.785 -3.128 13.218 505 H ALA 67 H ALA 67 -5.754 2.127 7.365 506 HA ALA 67 HA ALA 67 -5.158 4.954 7.517 507 1HB ALA 67 1HB ALA 67 -3.902 3.432 6.057 508 2HB ALA 67 2HB ALA 67 -5.357 3.153 5.076 509 3HB ALA 67 3HB ALA 67 -4.644 4.770 5.156 510 H LEU 68 H LEU 68 -7.883 2.971 6.263 511 HA LEU 68 HA LEU 68 -9.398 5.143 5.158 512 1HB LEU 68 1HB LEU 68 -10.283 2.460 6.294 513 2HB LEU 68 2HB LEU 68 -11.336 3.583 5.449 514 HG LEU 68 HG LEU 68 -8.856 2.324 4.194 515 1HD1 LEU 68 1HD1 LEU 68 -11.789 1.523 4.147 516 2HD1 LEU 68 2HD1 LEU 68 -10.590 0.929 2.973 517 3HD1 LEU 68 3HD1 LEU 68 -10.421 0.560 4.693 518 1HD2 LEU 68 1HD2 LEU 68 -11.130 4.030 3.104 519 2HD2 LEU 68 2HD2 LEU 68 -9.390 4.355 3.035 520 3HD2 LEU 68 3HD2 LEU 68 -10.075 3.045 2.072 521 H ASP 69 H ASP 69 -9.357 3.614 8.437 522 HA ASP 69 HA ASP 69 -11.258 5.468 9.550 523 1HB ASP 69 1HB ASP 69 -9.138 3.719 10.840 524 2HB ASP 69 2HB ASP 69 -10.292 4.711 11.740 525 H ALA 70 H ALA 70 -10.831 7.145 11.028 526 HA ALA 70 HA ALA 70 -9.935 9.097 11.687 527 1HB ALA 70 1HB ALA 70 -7.625 8.100 11.728 528 2HB ALA 70 2HB ALA 70 -7.405 8.681 10.057 529 3HB ALA 70 3HB ALA 70 -7.712 9.830 11.357 530 H THR 71 H THR 71 -9.346 8.237 8.241 531 HA THR 71 HA THR 71 -10.238 10.911 7.371 532 HB THR 71 HB THR 71 -9.556 10.106 5.134 533 HG1 THR 71 HG1 THR 71 -8.500 8.179 4.949 534 1HG2 THR 71 1HG2 THR 71 -7.982 11.338 6.627 535 2HG2 THR 71 2HG2 THR 71 -7.389 9.785 7.253 536 H ALA 72 H ALA 72 -10.953 8.110 5.405 537 HA ALA 72 HA ALA 72 -13.800 8.849 5.402 538 1HB ALA 72 1HB ALA 72 -12.146 7.040 3.612 539 2HB ALA 72 2HB ALA 72 -13.853 7.475 3.358 540 3HB ALA 72 3HB ALA 72 -12.594 8.723 3.277 541 H TYR 73 H TYR 73 -14.659 7.947 7.234 542 HA TYR 73 HA TYR 73 -15.315 5.109 7.023 543 1HB TYR 73 1HB TYR 73 -14.602 4.447 9.174 544 2HB TYR 73 2HB TYR 73 -13.210 5.145 8.371 545 HD1 TYR 73 HD1 TYR 73 -12.703 7.701 8.914 546 HD2 TYR 73 HD2 TYR 73 -15.180 5.144 11.351 547 HE1 TYR 73 HE1 TYR 73 -12.575 9.334 10.770 548 HE2 TYR 73 HE2 TYR 73 -14.941 6.721 13.241 549 HH TYR 73 HH TYR 73 -13.092 9.780 12.961 550 H LYS 74 H LYS 74 -16.362 8.165 7.299 551 HA LYS 74 HA LYS 74 -18.050 8.103 9.617 552 1HB LYS 74 1HB LYS 74 -18.089 9.943 7.187 553 2HB LYS 74 2HB LYS 74 -18.896 10.215 8.742 554 1HG LYS 74 1HG LYS 74 -16.643 10.184 9.859 555 2HG LYS 74 2HG LYS 74 -15.886 10.022 8.262 556 1HD LYS 74 1HD LYS 74 -16.975 12.167 7.557 557 2HD LYS 74 2HD LYS 74 -17.654 12.319 9.187 558 1HE LYS 74 1HE LYS 74 -15.693 13.700 9.077 559 2HE LYS 74 2HE LYS 74 -15.312 12.315 10.114 560 1HZ LYS 74 1HZ LYS 74 -14.581 12.604 7.281 561 2HZ LYS 74 2HZ LYS 74 -13.564 12.804 8.562 562 3HZ LYS 74 3HZ LYS 74 -14.201 11.319 8.241 563 H GLU 75 H GLU 75 -18.788 8.188 6.117 564 HA GLU 75 HA GLU 75 -21.282 6.608 6.528 565 1HB GLU 75 1HB GLU 75 -22.015 7.484 4.402 566 2HB GLU 75 2HB GLU 75 -21.622 8.799 5.517 567 1HG GLU 75 1HG GLU 75 -19.439 9.126 4.374 568 2HG GLU 75 2HG GLU 75 -19.809 7.786 3.276 569 H PHE 76 H PHE 76 -18.058 6.641 5.211 570 HA PHE 76 HA PHE 76 -18.326 4.648 3.200 571 1HB PHE 76 1HB PHE 76 -16.573 6.449 3.511 572 2HB PHE 76 2HB PHE 76 -15.891 5.496 4.813 573 HD1 PHE 76 HD1 PHE 76 -16.440 5.756 1.175 574 HD2 PHE 76 HD2 PHE 76 -14.585 3.441 4.296 575 HE1 PHE 76 HE1 PHE 76 -14.723 4.975 -0.430 576 HE2 PHE 76 HE2 PHE 76 -12.975 2.533 2.628 577 HZ PHE 76 1HZ PHE 76 -12.942 3.416 0.322 578 H ARG 77 H ARG 77 -18.214 2.426 3.360 579 HA ARG 77 HA ARG 77 -17.345 1.087 5.837 580 1HB ARG 77 1HB ARG 77 -19.641 1.657 6.352 581 2HB ARG 77 2HB ARG 77 -20.210 0.993 4.815 582 1HG ARG 77 1HG ARG 77 -19.517 -1.268 5.494 583 2HG ARG 77 2HG ARG 77 -18.828 -0.631 7.004 584 1HD ARG 77 1HD ARG 77 -21.036 0.038 7.781 585 2HD ARG 77 2HD ARG 77 -21.739 -0.333 6.196 586 HE ARG 77 HE ARG 77 -20.394 -2.554 7.575 587 1HH1 ARG 77 1HH1 ARG 77 -23.530 -0.961 6.942 588 2HH1 ARG 77 2HH1 ARG 77 -24.444 -2.404 7.308 589 1HH2 ARG 77 1HH2 ARG 77 -21.633 -4.394 8.050 590 2HH2 ARG 77 2HH2 ARG 77 -23.378 -4.339 7.943 591 H VAL 78 H VAL 78 -16.022 -0.425 5.109 592 HA VAL 78 HA VAL 78 -16.030 -1.428 2.430 593 HB VAL 78 HB VAL 78 -14.557 -2.394 4.917 594 1HG1 VAL 78 1HG1 VAL 78 -14.048 -2.894 1.957 595 2HG1 VAL 78 2HG1 VAL 78 -12.958 -3.368 3.276 596 3HG1 VAL 78 3HG1 VAL 78 -14.554 -4.117 3.143 597 1HG2 VAL 78 1HG2 VAL 78 -13.742 -0.445 2.714 598 2HG2 VAL 78 2HG2 VAL 78 -14.014 -0.043 4.422 599 3HG2 VAL 78 3HG2 VAL 78 -12.661 -1.086 3.968 600 H VAL 79 H VAL 79 -17.401 -2.902 1.624 601 HA VAL 79 HA VAL 79 -18.869 -4.733 3.391 602 HB VAL 79 HB VAL 79 -20.073 -3.489 1.714 603 1HG1 VAL 79 1HG1 VAL 79 -18.412 -3.366 -0.114 604 2HG1 VAL 79 2HG1 VAL 79 -18.639 -5.101 -0.435 605 3HG1 VAL 79 3HG1 VAL 79 -19.979 -3.969 -0.655 606 1HG2 VAL 79 1HG2 VAL 79 -20.914 -5.660 2.517 607 2HG2 VAL 79 2HG2 VAL 79 -21.413 -5.329 0.850 608 3HG2 VAL 79 3HG2 VAL 79 -20.102 -6.480 1.168 609 H GLU 80 H GLU 80 -16.561 -4.920 0.641 610 HA GLU 80 HA GLU 80 -15.626 -7.559 1.643 611 1HB GLU 80 1HB GLU 80 -16.277 -6.914 -1.266 612 2HB GLU 80 2HB GLU 80 -15.448 -8.365 -0.690 613 1HG GLU 80 1HG GLU 80 -17.455 -8.995 0.625 614 2HG GLU 80 2HG GLU 80 -18.307 -7.576 -0.006 615 H LEU 81 H LEU 81 -13.492 -8.099 0.766 616 HA LEU 81 HA LEU 81 -11.864 -5.813 -0.172 617 1HB LEU 81 1HB LEU 81 -10.153 -6.223 1.505 618 2HB LEU 81 2HB LEU 81 -11.698 -5.812 2.240 619 HG LEU 81 HG LEU 81 -11.946 -8.502 2.367 620 1HD1 LEU 81 1HD1 LEU 81 -9.732 -8.973 1.274 621 2HD1 LEU 81 2HD1 LEU 81 -8.929 -8.049 2.555 622 3HD1 LEU 81 3HD1 LEU 81 -9.798 -9.549 2.938 623 1HD2 LEU 81 1HD2 LEU 81 -10.302 -6.807 4.285 624 2HD2 LEU 81 2HD2 LEU 81 -12.073 -6.952 4.263 625 3HD2 LEU 81 3HD2 LEU 81 -11.079 -8.360 4.667 626 H ASP 82 H ASP 82 -9.920 -6.412 -1.236 627 HA ASP 82 HA ASP 82 -10.157 -8.949 -2.656 628 1HB ASP 82 1HB ASP 82 -8.178 -6.658 -2.886 629 2HB ASP 82 2HB ASP 82 -8.124 -8.132 -3.855 630 HA PRO 83 HA PRO 83 -7.276 -10.800 0.342 631 1HB PRO 83 1HB PRO 83 -7.001 -13.278 -0.735 632 2HB PRO 83 2HB PRO 83 -8.515 -12.738 0.047 633 1HG PRO 83 1HG PRO 83 -7.878 -12.745 -2.915 634 2HG PRO 83 2HG PRO 83 -9.334 -13.393 -2.107 635 1HD PRO 83 1HD PRO 83 -9.262 -10.911 -3.233 636 2HD PRO 83 2HD PRO 83 -10.199 -11.222 -1.737 637 H SER 84 H SER 84 -6.785 -10.678 -3.187 638 HA SER 84 HA SER 84 -3.906 -11.180 -3.008 639 1HB SER 84 1HB SER 84 -5.276 -12.135 -4.813 640 2HB SER 84 2HB SER 84 -5.691 -10.506 -5.378 641 HG SER 84 HG SER 84 -3.438 -10.165 -5.693 642 H ALA 85 H ALA 85 -3.725 -9.261 -1.493 643 HA ALA 85 HA ALA 85 -3.607 -6.593 -2.619 644 1HB ALA 85 1HB ALA 85 -2.271 -7.851 -0.183 645 2HB ALA 85 2HB ALA 85 -2.294 -6.121 -0.560 646 3HB ALA 85 3HB ALA 85 -3.811 -6.969 -0.204 647 H LYS 86 H LYS 86 -1.408 -5.445 -2.678 648 HA LYS 86 HA LYS 86 0.746 -7.142 -3.823 649 1HB LYS 86 1HB LYS 86 0.941 -5.600 -5.732 650 2HB LYS 86 2HB LYS 86 -0.568 -6.524 -5.716 651 1HG LYS 86 1HG LYS 86 -1.842 -4.594 -4.976 652 2HG LYS 86 2HG LYS 86 -0.366 -3.669 -4.666 653 1HD LYS 86 1HD LYS 86 -1.381 -2.912 -6.723 654 2HD LYS 86 2HD LYS 86 0.187 -3.664 -7.054 655 1HE LYS 86 1HE LYS 86 -0.923 -5.717 -7.832 656 2HE LYS 86 2HE LYS 86 -2.509 -5.033 -7.415 657 1HZ LYS 86 1HZ LYS 86 -0.626 -3.953 -9.391 658 2HZ LYS 86 2HZ LYS 86 -1.989 -4.816 -9.734 659 3HZ LYS 86 3HZ LYS 86 -2.109 -3.327 -9.033 660 H ILE 87 H ILE 87 2.757 -6.234 -3.920 661 HA ILE 87 HA ILE 87 3.300 -3.843 -2.220 662 HB ILE 87 HB ILE 87 4.970 -6.402 -2.326 663 1HG1 ILE 87 1HG1 ILE 87 4.245 -6.421 0.201 664 2HG1 ILE 87 2HG1 ILE 87 2.784 -5.581 -0.423 665 1HG2 ILE 87 1HG2 ILE 87 6.158 -4.241 -1.851 666 2HG2 ILE 87 2HG2 ILE 87 5.060 -3.982 -0.486 667 3HG2 ILE 87 3HG2 ILE 87 6.177 -5.366 -0.491 668 1HD1 ILE 87 1HD1 ILE 87 3.847 -8.279 -1.418 669 2HD1 ILE 87 2HD1 ILE 87 2.611 -8.089 -0.171 670 3HD1 ILE 87 3HD1 ILE 87 2.277 -7.551 -1.817 671 H GLU 88 H GLU 88 3.416 -2.563 -4.167 672 HA GLU 88 HA GLU 88 5.308 -3.398 -6.258 673 1HB GLU 88 1HB GLU 88 3.894 -0.739 -6.222 674 2HB GLU 88 2HB GLU 88 4.580 -1.653 -7.554 675 1HG GLU 88 1HG GLU 88 2.800 -3.397 -7.202 676 2HG GLU 88 2HG GLU 88 2.099 -2.382 -5.934 677 H VAL 89 H VAL 89 7.334 -3.411 -5.249 678 HA VAL 89 HA VAL 89 8.346 -1.015 -3.914 679 HB VAL 89 HB VAL 89 10.516 -2.122 -3.931 680 1HG1 VAL 89 1HG1 VAL 89 8.897 -2.344 -2.084 681 2HG1 VAL 89 2HG1 VAL 89 8.250 -3.821 -2.830 682 3HG1 VAL 89 3HG1 VAL 89 9.925 -3.775 -2.242 683 1HG2 VAL 89 1HG2 VAL 89 9.076 -4.485 -5.220 684 2HG2 VAL 89 2HG2 VAL 89 10.507 -3.618 -5.836 685 3HG2 VAL 89 3HG2 VAL 89 10.626 -4.579 -4.374 686 H THR 90 H THR 90 7.831 0.577 -5.362 687 HA THR 90 HA THR 90 8.784 0.477 -8.123 688 HB THR 90 1HB THR 90 7.216 2.606 -6.618 689 HG1 THR 90 HG1 THR 90 6.146 0.611 -6.770 690 1HG2 THR 90 1HG2 THR 90 8.273 3.531 -8.657 691 2HG2 THR 90 2HG2 THR 90 7.730 2.129 -9.595 692 H TYR 91 H TYR 91 11.033 0.324 -7.534 693 HA TYR 91 HA TYR 91 12.328 2.763 -6.494 694 1HB TYR 91 1HB TYR 91 14.400 1.434 -6.700 695 2HB TYR 91 2HB TYR 91 13.177 0.742 -5.651 696 HD1 TYR 91 HD1 TYR 91 14.702 0.431 -9.025 697 HD2 TYR 91 HD2 TYR 91 12.376 -1.475 -5.950 698 HE1 TYR 91 HE1 TYR 91 14.937 -1.743 -10.199 699 HE2 TYR 91 HE2 TYR 91 12.637 -3.654 -7.098 700 HH TYR 91 HH TYR 91 14.511 -4.008 -10.130 701 H TYR 92 H TYR 92 14.208 3.548 -7.708 702 HA TYR 92 HA TYR 92 13.943 3.724 -10.638 703 1HB TYR 92 1HB TYR 92 13.484 6.157 -10.487 704 2HB TYR 92 2HB TYR 92 12.178 5.196 -9.816 705 HD1 TYR 92 HD1 TYR 92 11.797 5.080 -7.340 706 HD2 TYR 92 HD2 TYR 92 14.763 7.693 -9.066 707 HE1 TYR 92 HE1 TYR 92 12.134 6.152 -5.142 708 HE2 TYR 92 HE2 TYR 92 15.015 8.828 -6.901 709 HH TYR 92 HH TYR 92 13.294 7.754 -3.944 710 H ASP 93 H ASP 93 15.975 2.819 -8.698 711 HA ASP 93 HA ASP 93 17.786 4.683 -7.858 712 1HB ASP 93 1HB ASP 93 19.346 2.808 -7.636 713 2HB ASP 93 2HB ASP 93 17.716 2.367 -7.131 714 H LYS 94 H LYS 94 19.237 5.998 -8.777 715 HA LYS 94 HA LYS 94 19.839 5.793 -11.645 716 1HB LYS 94 1HB LYS 94 19.216 7.943 -10.470 717 2HB LYS 94 2HB LYS 94 20.723 7.836 -9.566 718 1HG LYS 94 1HG LYS 94 21.052 9.358 -11.351 719 2HG LYS 94 2HG LYS 94 21.965 7.912 -11.793 720 1HD LYS 94 1HD LYS 94 20.141 7.210 -13.316 721 2HD LYS 94 2HD LYS 94 19.171 8.609 -12.827 722 1HE LYS 94 1HE LYS 94 21.897 8.742 -14.194 723 2HE LYS 94 2HE LYS 94 20.334 8.893 -15.015 724 1HZ LYS 94 1HZ LYS 94 19.876 10.812 -13.677 725 2HZ LYS 94 2HZ LYS 94 21.348 10.699 -12.942 726 3HZ LYS 94 3HZ LYS 94 21.256 11.014 -14.556 727 H ASN 95 H ASN 95 20.797 3.587 -10.948 728 HA ASN 95 HA ASN 95 23.710 3.820 -10.435 729 1HB ASN 95 1HB ASN 95 21.765 2.108 -8.824 730 2HB ASN 95 2HB ASN 95 23.520 1.925 -8.822 731 1HD2 ASN 95 1HD2 ASN 95 21.766 5.076 -6.809 732 2HD2 ASN 95 2HD2 ASN 95 20.849 4.144 -7.970 733 H LYS 96 H LYS 96 21.071 1.362 -10.919 734 HA LYS 96 HA LYS 96 22.516 0.306 -13.243 735 1HB LYS 96 1HB LYS 96 22.923 -1.880 -12.327 736 2HB LYS 96 2HB LYS 96 23.742 -0.639 -11.382 737 1HG LYS 96 1HG LYS 96 21.677 -0.792 -9.765 738 2HG LYS 96 2HG LYS 96 21.303 -2.267 -10.677 739 1HD LYS 96 1HD LYS 96 22.459 -3.022 -8.806 740 2HD LYS 96 2HD LYS 96 23.643 -3.094 -10.122 741 1HE LYS 96 1HE LYS 96 24.641 -0.956 -9.312 742 2HE LYS 96 2HE LYS 96 23.395 -0.855 -8.052 743 1HZ LYS 96 1HZ LYS 96 24.241 -2.880 -7.136 744 2HZ LYS 96 2HZ LYS 96 25.396 -2.980 -8.310 745 3HZ LYS 96 3HZ LYS 96 25.432 -1.742 -7.221 746 H LYS 97 H LYS 97 19.797 -0.537 -10.960 747 HA LYS 97 HA LYS 97 18.535 -2.051 -13.080 748 1HB LYS 97 1HB LYS 97 17.350 -1.316 -10.391 749 2HB LYS 97 2HB LYS 97 16.829 -2.564 -11.522 750 1HG LYS 97 1HG LYS 97 19.295 -3.499 -11.189 751 2HG LYS 97 2HG LYS 97 19.251 -2.467 -9.743 752 1HD LYS 97 1HD LYS 97 18.446 -4.352 -8.781 753 2HD LYS 97 2HD LYS 97 16.899 -3.741 -9.375 754 1HE LYS 97 1HE LYS 97 18.725 -5.831 -10.665 755 2HE LYS 97 2HE LYS 97 17.173 -6.133 -9.865 756 1HZ LYS 97 1HZ LYS 97 16.114 -4.860 -11.582 757 2HZ LYS 97 2HZ LYS 97 17.560 -4.592 -12.329 758 3HZ LYS 97 3HZ LYS 97 16.959 -6.124 -12.223 759 H LYS 98 H LYS 98 17.883 1.098 -11.508 760 HA LYS 98 HA LYS 98 16.670 2.867 -12.092 761 1HB LYS 98 1HB LYS 98 17.792 2.248 -14.389 762 2HB LYS 98 2HB LYS 98 16.141 1.852 -14.878 763 1HG LYS 98 1HG LYS 98 15.590 4.261 -13.889 764 2HG LYS 98 2HG LYS 98 17.332 4.503 -13.972 765 1HD LYS 98 1HD LYS 98 15.501 3.748 -16.299 766 2HD LYS 98 2HD LYS 98 16.144 5.363 -15.964 767 1HE LYS 98 1HE LYS 98 18.461 4.495 -16.263 768 2HE LYS 98 2HE LYS 98 17.799 2.899 -16.675 769 1HZ LYS 98 1HZ LYS 98 17.291 5.384 -18.137 770 2HZ LYS 98 2HZ LYS 98 18.298 4.166 -18.608 771 3HZ LYS 98 3HZ LYS 98 16.673 3.900 -18.509 772 H GLU 99 H GLU 99 14.329 2.730 -14.103 773 HA GLU 99 HA GLU 99 12.458 2.514 -11.980 774 1HB GLU 99 1HB GLU 99 12.403 4.231 -13.707 775 2HB GLU 99 2HB GLU 99 11.999 3.013 -14.931 776 1HG GLU 99 1HG GLU 99 9.894 2.490 -13.734 777 2HG GLU 99 2HG GLU 99 10.350 3.589 -12.422 778 H GLU 100 H GLU 100 11.558 0.696 -11.250 779 HA GLU 100 HA GLU 100 10.273 -1.163 -13.146 780 1HB GLU 100 1HB GLU 100 12.175 -2.074 -10.946 781 2HB GLU 100 2HB GLU 100 11.040 -3.117 -11.815 782 1HG GLU 100 1HG GLU 100 12.177 -2.499 -13.966 783 2HG GLU 100 2HG GLU 100 13.391 -1.608 -13.026 784 H THR 101 H THR 101 8.216 -0.939 -12.565 785 HA THR 101 HA THR 101 7.332 -0.619 -9.778 786 HB THR 101 HB THR 101 5.778 -1.062 -12.365 787 HG1 THR 101 HG1 THR 101 6.325 1.297 -10.897 788 1HG2 THR 101 1HG2 THR 101 4.454 -1.664 -10.335 789 2HG2 THR 101 2HG2 THR 101 4.869 -0.098 -9.611 790 H LYS 102 H LYS 102 8.383 -2.509 -8.946 791 HA LYS 102 HA LYS 102 7.913 -5.107 -10.160 792 1HB LYS 102 1HB LYS 102 10.110 -4.340 -9.289 793 2HB LYS 102 2HB LYS 102 9.425 -4.243 -7.680 794 1HG LYS 102 1HG LYS 102 10.723 -6.279 -7.910 795 2HG LYS 102 2HG LYS 102 9.032 -6.682 -7.651 796 1HD LYS 102 1HD LYS 102 10.092 -8.126 -9.336 797 2HD LYS 102 2HD LYS 102 8.724 -7.239 -10.002 798 1HE LYS 102 1HE LYS 102 10.639 -7.340 -11.562 799 2HE LYS 102 2HE LYS 102 10.250 -5.670 -11.141 800 1HZ LYS 102 1HZ LYS 102 12.400 -7.286 -9.957 801 2HZ LYS 102 2HZ LYS 102 12.593 -6.099 -11.087 802 3HZ LYS 102 3HZ LYS 102 12.058 -5.718 -9.576 803 H SER 103 H SER 103 5.662 -5.367 -9.897 804 HA SER 103 HA SER 103 4.328 -5.115 -7.352 805 1HB SER 103 1HB SER 103 2.365 -5.904 -8.632 806 2HB SER 103 2HB SER 103 3.200 -4.541 -9.398 807 HG SER 103 HG SER 103 3.504 -7.266 -10.105 808 H PHE 104 H PHE 104 5.535 -6.508 -5.991 809 HA PHE 104 HA PHE 104 5.520 -9.375 -6.468 810 1HB PHE 104 1HB PHE 104 7.387 -8.206 -5.370 811 2HB PHE 104 2HB PHE 104 6.334 -7.750 -4.037 812 HD1 PHE 104 HD1 PHE 104 7.875 -10.639 -5.831 813 HD2 PHE 104 HD2 PHE 104 5.855 -9.332 -2.254 814 HE1 PHE 104 HE1 PHE 104 8.312 -12.842 -4.777 815 HE2 PHE 104 HE2 PHE 104 6.282 -11.547 -1.216 816 HZ PHE 104 1HZ PHE 104 7.508 -13.297 -2.470 817 HA PRO 105 HA PRO 105 1.412 -9.508 -4.641 818 1HB PRO 105 1HB PRO 105 0.872 -12.171 -4.723 819 2HB PRO 105 2HB PRO 105 1.072 -11.197 -6.208 820 1HG PRO 105 1HG PRO 105 3.184 -12.879 -4.821 821 2HG PRO 105 2HG PRO 105 2.700 -12.944 -6.543 822 1HD PRO 105 1HD PRO 105 4.836 -11.479 -5.719 823 2HD PRO 105 2HD PRO 105 3.746 -10.864 -7.000 824 H ILE 106 H ILE 106 0.230 -10.366 -2.803 825 HA ILE 106 HA ILE 106 1.843 -10.559 -0.410 826 HB ILE 106 HB ILE 106 -0.273 -9.220 -0.682 827 1HG1 ILE 106 1HG1 ILE 106 -1.262 -9.616 1.461 828 2HG1 ILE 106 2HG1 ILE 106 -0.481 -11.227 1.583 829 1HG2 ILE 106 1HG2 ILE 106 -1.614 -10.893 -1.942 830 2HG2 ILE 106 2HG2 ILE 106 -1.673 -11.931 -0.501 831 3HG2 ILE 106 3HG2 ILE 106 -2.435 -10.342 -0.470 832 1HD1 ILE 106 1HD1 ILE 106 0.988 -8.558 1.403 833 2HD1 ILE 106 2HD1 ILE 106 0.620 -9.396 2.914 834 3HD1 ILE 106 3HD1 ILE 106 1.711 -10.152 1.752 835 H THR 107 H THR 107 1.357 -12.259 1.257 836 HA THR 107 HA THR 107 0.735 -14.949 0.105 837 HB THR 107 HB THR 107 2.424 -15.872 1.634 838 HG1 THR 107 HG1 THR 107 3.036 -13.157 2.166 839 1HG2 THR 107 1HG2 THR 107 4.436 -15.158 0.462 840 2HG2 THR 107 2HG2 THR 107 3.093 -15.312 -0.687 841 H GLU 108 H GLU 108 0.106 -16.502 1.762 842 HA GLU 108 HA GLU 108 -1.592 -15.327 3.900 843 1HB GLU 108 1HB GLU 108 -2.725 -17.402 4.015 844 2HB GLU 108 2HB GLU 108 -2.750 -16.814 2.354 845 1HG GLU 108 1HG GLU 108 -0.876 -19.001 3.397 846 2HG GLU 108 2HG GLU 108 -2.426 -19.284 2.615 847 H LYS 109 H LYS 109 1.278 -17.294 3.291 848 HA LYS 109 HA LYS 109 1.588 -18.306 5.969 849 1HB LYS 109 1HB LYS 109 3.513 -17.944 3.644 850 2HB LYS 109 2HB LYS 109 3.937 -18.736 5.176 851 1HG LYS 109 1HG LYS 109 2.113 -20.375 4.853 852 2HG LYS 109 2HG LYS 109 1.708 -19.649 3.296 853 1HD LYS 109 1HD LYS 109 4.379 -20.929 4.038 854 2HD LYS 109 2HD LYS 109 3.092 -21.709 3.110 855 1HE LYS 109 1HE LYS 109 4.685 -19.260 2.223 856 2HE LYS 109 2HE LYS 109 4.867 -20.917 1.642 857 1HZ LYS 109 1HZ LYS 109 2.627 -20.825 0.824 858 2HZ LYS 109 2HZ LYS 109 2.462 -19.268 1.339 859 3HZ LYS 109 3HZ LYS 109 3.550 -19.633 0.157 860 H GLY 110 H GLY 110 3.360 -15.725 4.164 861 1HA GLY 110 1HA GLY 110 3.455 -13.500 5.083 862 2HA GLY 110 2HA GLY 110 3.621 -14.169 6.710 863 H PHE 111 H PHE 111 5.256 -13.247 3.812 864 HA PHE 111 HA PHE 111 7.894 -14.203 4.656 865 1HB PHE 111 1HB PHE 111 8.730 -12.959 2.779 866 2HB PHE 111 2HB PHE 111 7.373 -13.957 2.280 867 HD1 PHE 111 HD1 PHE 111 5.191 -12.912 1.679 868 HD2 PHE 111 HD2 PHE 111 8.643 -10.524 2.645 869 HE1 PHE 111 HE1 PHE 111 4.076 -10.915 0.717 870 HE2 PHE 111 HE2 PHE 111 7.551 -8.542 1.629 871 HZ PHE 111 1HZ PHE 111 5.274 -8.734 0.659 872 H VAL 112 H VAL 112 9.365 -13.025 5.855 873 HA VAL 112 HA VAL 112 8.479 -10.605 7.224 874 HB VAL 112 HB VAL 112 11.071 -12.198 7.222 875 1HG1 VAL 112 1HG1 VAL 112 10.337 -9.664 8.731 876 2HG1 VAL 112 2HG1 VAL 112 11.651 -10.753 9.227 877 3HG1 VAL 112 3HG1 VAL 112 11.739 -9.920 7.672 878 1HG2 VAL 112 1HG2 VAL 112 9.113 -13.249 8.353 879 2HG2 VAL 112 2HG2 VAL 112 10.353 -12.765 9.519 880 3HG2 VAL 112 3HG2 VAL 112 8.891 -11.777 9.323 881 H VAL 113 H VAL 113 9.038 -8.518 6.744 882 HA VAL 113 HA VAL 113 9.831 -7.854 4.107 883 HB VAL 113 HB VAL 113 9.773 -6.092 6.585 884 1HG1 VAL 113 1HG1 VAL 113 11.064 -5.099 4.683 885 2HG1 VAL 113 2HG1 VAL 113 9.684 -5.399 3.615 886 3HG1 VAL 113 3HG1 VAL 113 9.539 -4.245 4.957 887 1HG2 VAL 113 1HG2 VAL 113 7.651 -6.666 4.472 888 2HG2 VAL 113 2HG2 VAL 113 7.569 -7.088 6.198 889 3HG2 VAL 113 3HG2 VAL 113 7.551 -5.392 5.707 890 HA PRO 114 HA PRO 114 14.199 -8.437 5.182 891 1HB PRO 114 1HB PRO 114 15.306 -8.501 2.723 892 2HB PRO 114 2HB PRO 114 14.131 -9.750 3.230 893 1HG PRO 114 1HG PRO 114 13.559 -7.242 1.616 894 2HG PRO 114 2HG PRO 114 13.123 -8.926 1.202 895 1HD PRO 114 1HD PRO 114 11.387 -7.221 2.469 896 2HD PRO 114 2HD PRO 114 11.415 -8.976 2.808 897 H ASP 115 H ASP 115 16.221 -7.285 5.059 898 HA ASP 115 HA ASP 115 16.073 -4.373 4.573 899 1HB ASP 115 1HB ASP 115 18.307 -4.324 5.509 900 2HB ASP 115 2HB ASP 115 17.228 -5.218 6.582 901 H LEU 116 H LEU 116 17.970 -3.455 3.271 902 HA LEU 116 HA LEU 116 19.072 -5.131 1.188 903 1HB LEU 116 1HB LEU 116 18.026 -4.176 -0.698 904 2HB LEU 116 2HB LEU 116 16.771 -4.826 0.349 905 HG LEU 116 HG LEU 116 17.474 -1.893 -0.098 906 1HD1 LEU 116 1HD1 LEU 116 16.224 -3.108 -1.883 907 2HD1 LEU 116 2HD1 LEU 116 14.959 -3.500 -0.702 908 3HD1 LEU 116 3HD1 LEU 116 15.280 -1.807 -1.131 909 1HD2 LEU 116 1HD2 LEU 116 15.390 -3.100 1.785 910 2HD2 LEU 116 2HD2 LEU 116 16.736 -2.023 2.235 911 3HD2 LEU 116 3HD2 LEU 116 15.413 -1.405 1.257 912 H SER 117 H SER 117 20.946 -4.359 0.497 913 HA SER 117 HA SER 117 21.619 -1.551 0.353 914 1HB SER 117 1HB SER 117 21.804 -1.881 2.812 915 2HB SER 117 2HB SER 117 22.904 -3.245 2.551 916 HG SER 117 HG SER 117 23.314 -0.557 1.720 917 H GLU 118 H GLU 118 21.711 -2.720 -1.784 918 HA GLU 118 HA GLU 118 24.470 -3.411 -2.422 919 1HB GLU 118 1HB GLU 118 23.629 -5.564 -1.625 920 2HB GLU 118 2HB GLU 118 22.249 -5.497 -2.717 921 1HG GLU 118 1HG GLU 118 25.148 -5.451 -3.678 922 2HG GLU 118 2HG GLU 118 24.264 -6.948 -3.373 923 H HIS 119 H HIS 119 21.164 -3.836 -3.730 924 HA HIS 119 HA HIS 119 22.023 -2.797 -6.335 925 1HB HIS 119 1HB HIS 119 19.853 -3.533 -7.121 926 2HB HIS 119 2HB HIS 119 20.797 -4.822 -6.390 927 HD1 HIS 119 HD1 HIS 119 19.976 -5.031 -3.507 928 HD2 HIS 119 HD2 HIS 119 17.348 -3.989 -6.622 929 HE1 HIS 119 HE1 HIS 119 17.623 -5.621 -2.716 930 H ILE 120 H ILE 120 19.584 -1.983 -3.815 931 HA ILE 120 HA ILE 120 19.450 0.788 -4.901 932 HB ILE 120 HB ILE 120 17.043 0.789 -4.737 933 1HG1 ILE 120 1HG1 ILE 120 17.297 -2.116 -3.842 934 2HG1 ILE 120 2HG1 ILE 120 16.699 -0.732 -2.894 935 1HG2 ILE 120 1HG2 ILE 120 18.243 -0.019 -6.815 936 2HG2 ILE 120 2HG2 ILE 120 17.790 -1.662 -6.363 937 3HG2 ILE 120 3HG2 ILE 120 16.534 -0.452 -6.693 938 1HD1 ILE 120 1HD1 ILE 120 14.836 -0.475 -4.546 939 2HD1 ILE 120 2HD1 ILE 120 15.376 -1.969 -5.355 940 3HD1 ILE 120 3HD1 ILE 120 14.799 -2.025 -3.684 941 H LYS 121 H LYS 121 18.258 2.235 -3.460 942 HA LYS 121 HA LYS 121 18.246 1.612 -0.582 943 1HB LYS 121 1HB LYS 121 20.520 2.483 -1.107 944 2HB LYS 121 2HB LYS 121 19.804 3.915 -1.836 945 1HG LYS 121 1HG LYS 121 18.763 3.646 0.865 946 2HG LYS 121 2HG LYS 121 20.509 3.411 0.914 947 1HD LYS 121 1HD LYS 121 20.897 5.523 -0.263 948 2HD LYS 121 2HD LYS 121 19.154 5.779 -0.457 949 1HE LYS 121 1HE LYS 121 18.881 5.870 2.000 950 2HE LYS 121 2HE LYS 121 20.633 5.642 2.198 951 1HZ LYS 121 1HZ LYS 121 19.336 7.880 0.811 952 2HZ LYS 121 2HZ LYS 121 20.011 7.936 2.314 953 3HZ LYS 121 3HZ LYS 121 20.962 7.674 0.991 954 H ASN 122 H ASN 122 16.154 1.813 -2.501 955 HA ASN 122 HA ASN 122 14.491 3.931 -1.475 956 1HB ASN 122 1HB ASN 122 14.275 5.180 -3.614 957 2HB ASN 122 2HB ASN 122 15.843 5.376 -2.861 958 1HD2 ASN 122 1HD2 ASN 122 15.682 4.062 -6.662 959 2HD2 ASN 122 2HD2 ASN 122 14.306 4.704 -5.794 960 HA PRO 123 HA PRO 123 12.698 0.092 -3.591 961 1HB PRO 123 1HB PRO 123 11.326 -0.954 -1.476 962 2HB PRO 123 2HB PRO 123 13.024 -1.326 -1.861 963 1HG PRO 123 1HG PRO 123 12.002 0.687 0.153 964 2HG PRO 123 2HG PRO 123 13.286 -0.529 0.371 965 1HD PRO 123 1HD PRO 123 13.891 2.044 -0.226 966 2HD PRO 123 2HD PRO 123 14.810 0.698 -0.955 967 H GLY 124 H GLY 124 10.941 1.916 -0.993 968 1HA GLY 124 1HA GLY 124 8.999 3.097 -1.053 969 2HA GLY 124 2HA GLY 124 9.064 3.107 -2.821 970 H PHE 125 H PHE 125 8.344 1.002 -0.021 971 HA PHE 125 HA PHE 125 6.981 -1.082 -1.445 972 1HB PHE 125 1HB PHE 125 7.261 -0.241 1.447 973 2HB PHE 125 2HB PHE 125 6.126 -1.505 0.984 974 HD1 PHE 125 HD1 PHE 125 9.769 -0.616 0.467 975 HD2 PHE 125 HD2 PHE 125 6.833 -3.690 1.188 976 HE1 PHE 125 HE1 PHE 125 11.570 -2.314 0.646 977 HE2 PHE 125 HE2 PHE 125 8.627 -5.388 1.260 978 HZ PHE 125 1HZ PHE 125 11.004 -4.700 1.008 979 H ASN 126 H ASN 126 5.290 -0.364 -2.727 980 HA ASN 126 HA ASN 126 3.282 1.499 -1.650 981 1HB ASN 126 1HB ASN 126 3.517 0.067 -4.296 982 2HB ASN 126 2HB ASN 126 2.319 1.300 -3.923 983 1HD2 ASN 126 1HD2 ASN 126 4.981 3.030 -5.808 984 2HD2 ASN 126 2HD2 ASN 126 3.784 1.788 -6.102 985 H LEU 127 H LEU 127 2.204 0.415 -0.015 986 HA LEU 127 HA LEU 127 0.714 -2.077 -0.648 987 1HB LEU 127 1HB LEU 127 1.107 -0.424 1.875 988 2HB LEU 127 2HB LEU 127 -0.138 -1.663 1.749 989 HG LEU 127 HG LEU 127 1.822 -2.464 2.902 990 1HD1 LEU 127 1HD1 LEU 127 0.353 -4.022 1.635 991 2HD1 LEU 127 2HD1 LEU 127 1.451 -3.910 0.251 992 3HD1 LEU 127 3HD1 LEU 127 2.026 -4.598 1.774 993 1HD2 LEU 127 1HD2 LEU 127 3.561 -1.173 1.661 994 2HD2 LEU 127 2HD2 LEU 127 3.938 -2.895 1.856 995 3HD2 LEU 127 3HD2 LEU 127 3.371 -2.294 0.290 996 H ILE 128 H ILE 128 -0.048 -0.605 -2.483 997 HA ILE 128 HA ILE 128 -2.500 0.925 -1.768 998 HB ILE 128 HB ILE 128 -0.819 0.621 -4.271 999 1HG1 ILE 128 1HG1 ILE 128 -0.695 2.993 -4.227 1000 2HG1 ILE 128 2HG1 ILE 128 -1.981 3.123 -2.994 1001 1HG2 ILE 128 1HG2 ILE 128 -3.656 1.724 -4.054 1002 2HG2 ILE 128 2HG2 ILE 128 -2.562 2.038 -5.416 1003 3HG2 ILE 128 3HG2 ILE 128 -3.112 0.397 -5.101 1004 1HD1 ILE 128 1HD1 ILE 128 0.760 1.915 -2.432 1005 2HD1 ILE 128 2HD1 ILE 128 0.350 3.619 -2.190 1006 3HD1 ILE 128 3HD1 ILE 128 -0.498 2.382 -1.259 1007 H THR 129 H THR 129 -4.024 -0.510 -1.230 1008 HA THR 129 HA THR 129 -4.279 -3.095 -2.669 1009 HB THR 129 HB THR 129 -5.656 -3.746 -0.770 1010 HG1 THR 129 HG1 THR 129 -5.186 -1.113 0.175 1011 1HG2 THR 129 1HG2 THR 129 -3.986 -3.718 0.969 1012 2HG2 THR 129 2HG2 THR 129 -3.184 -3.938 -0.599 1013 H LYS 130 H LYS 130 -7.019 -3.494 -2.183 1014 HA LYS 130 HA LYS 130 -8.551 -1.383 -3.507 1015 1HB LYS 130 1HB LYS 130 -7.278 -2.617 -5.319 1016 2HB LYS 130 2HB LYS 130 -8.097 -4.099 -4.841 1017 1HG LYS 130 1HG LYS 130 -9.398 -1.566 -5.952 1018 2HG LYS 130 2HG LYS 130 -9.039 -3.053 -6.830 1019 1HD LYS 130 1HD LYS 130 -10.586 -4.184 -4.982 1020 2HD LYS 130 2HD LYS 130 -11.174 -2.524 -4.774 1021 1HE LYS 130 1HE LYS 130 -12.630 -3.566 -6.325 1022 2HE LYS 130 2HE LYS 130 -11.599 -2.479 -7.282 1023 1HZ LYS 130 1HZ LYS 130 -11.231 -5.377 -6.957 1024 2HZ LYS 130 2HZ LYS 130 -11.857 -4.630 -8.286 1025 3HZ LYS 130 3HZ LYS 130 -10.280 -4.388 -7.869 1026 H VAL 131 H VAL 131 -10.466 -1.431 -2.424 1027 HA VAL 131 HA VAL 131 -11.624 -4.062 -1.683 1028 HB VAL 131 HB VAL 131 -12.249 -3.371 0.476 1029 1HG1 VAL 131 1HG1 VAL 131 -9.886 -4.108 0.270 1030 2HG1 VAL 131 2HG1 VAL 131 -9.382 -2.406 0.206 1031 3HG1 VAL 131 3HG1 VAL 131 -10.185 -3.041 1.650 1032 1HG2 VAL 131 1HG2 VAL 131 -11.365 -0.584 -0.309 1033 2HG2 VAL 131 2HG2 VAL 131 -12.961 -1.137 0.234 1034 3HG2 VAL 131 3HG2 VAL 131 -11.620 -1.075 1.383 1035 H VAL 132 H VAL 132 -13.896 -4.055 -1.434 1036 HA VAL 132 HA VAL 132 -15.284 -2.112 -3.190 1037 HB VAL 132 HB VAL 132 -16.225 -4.762 -2.033 1038 1HG1 VAL 132 1HG1 VAL 132 -17.331 -2.970 -4.232 1039 2HG1 VAL 132 2HG1 VAL 132 -17.944 -4.592 -3.840 1040 3HG1 VAL 132 3HG1 VAL 132 -18.098 -3.286 -2.662 1041 1HG2 VAL 132 1HG2 VAL 132 -15.071 -4.108 -4.783 1042 2HG2 VAL 132 2HG2 VAL 132 -14.340 -5.176 -3.565 1043 3HG2 VAL 132 3HG2 VAL 132 -15.854 -5.641 -4.344 1044 H ILE 133 H ILE 133 -17.027 -0.909 -2.424 1045 HA ILE 133 HA ILE 133 -17.533 -0.857 0.519 1046 HB ILE 133 HB ILE 133 -16.904 1.429 -1.385 1047 1HG1 ILE 133 1HG1 ILE 133 -15.441 1.698 0.991 1048 2HG1 ILE 133 2HG1 ILE 133 -15.429 -0.057 0.692 1049 1HG2 ILE 133 1HG2 ILE 133 -17.953 1.633 1.451 1050 2HG2 ILE 133 2HG2 ILE 133 -17.278 2.968 0.506 1051 3HG2 ILE 133 3HG2 ILE 133 -18.763 2.200 -0.029 1052 1HD1 ILE 133 1HD1 ILE 133 -14.607 2.069 -1.344 1053 2HD1 ILE 133 2HD1 ILE 133 -13.491 1.125 -0.337 1054 3HD1 ILE 133 3HD1 ILE 133 -14.497 0.305 -1.539 1055 H GLU 134 H GLU 134 -19.524 -0.413 1.160 1056 HA GLU 134 HA GLU 134 -21.514 0.638 -0.761 1057 1HB GLU 134 1HB GLU 134 -23.282 -0.658 0.169 1058 2HB GLU 134 2HB GLU 134 -21.988 -1.764 -0.282 1059 1HG GLU 134 1HG GLU 134 -22.635 -2.593 1.787 1060 2HG GLU 134 2HG GLU 134 -21.238 -1.603 2.221 1061 H LYS 135 H LYS 135 -23.071 2.071 0.312 1062 HA LYS 135 HA LYS 135 -21.788 3.543 2.522 1063 1HB LYS 135 1HB LYS 135 -22.563 4.678 0.480 1064 2HB LYS 135 2HB LYS 135 -24.240 4.256 0.875 1065 1HG LYS 135 1HG LYS 135 -24.074 5.496 2.999 1066 2HG LYS 135 2HG LYS 135 -22.362 5.835 2.701 1067 1HD LYS 135 1HD LYS 135 -24.658 6.823 0.953 1068 2HD LYS 135 2HD LYS 135 -23.871 7.752 2.240 1069 1HE LYS 135 1HE LYS 135 -21.669 7.460 1.021 1070 2HE LYS 135 2HE LYS 135 -22.577 6.765 -0.337 1071 1HZ LYS 135 1HZ LYS 135 -22.966 9.442 0.778 1072 2HZ LYS 135 2HZ LYS 135 -22.189 9.076 -0.630 1073 3HZ LYS 135 3HZ LYS 135 -23.807 8.788 -0.482 1074 H LYS 136 H LYS 136 -22.430 3.333 4.592 1075 HA LYS 136 HA LYS 136 -24.279 1.341 5.381 1076 1HB LYS 136 1HB LYS 136 -23.790 2.029 7.633 1077 2HB LYS 136 2HB LYS 136 -22.308 2.049 6.665 1078 1HG LYS 136 1HG LYS 136 -22.546 4.542 6.424 1079 2HG LYS 136 2HG LYS 136 -23.994 4.480 7.431 1080 1HD LYS 136 1HD LYS 136 -22.154 5.196 8.775 1081 2HD LYS 136 2HD LYS 136 -22.665 3.594 9.324 1082 1HE LYS 136 1HE LYS 136 -20.754 2.550 8.228 1083 2HE LYS 136 2HE LYS 136 -20.312 4.079 7.437 1084 1HZ LYS 136 1HZ LYS 136 -20.299 3.565 10.321 1085 2HZ LYS 136 2HZ LYS 136 -18.974 3.625 9.340 1086 3HZ LYS 136 3HZ LYS 136 -19.876 4.982 9.591 No H/Q in entry = 1086 Start of MODEL 12 1 H SER 1 H SER 1 -13.427 12.067 4.848 2 HA SER 1 HA SER 1 -16.194 11.245 4.280 3 1HB SER 1 1HB SER 1 -14.572 12.969 2.360 4 2HB SER 1 2HB SER 1 -16.175 12.272 2.038 5 HG SER 1 HG SER 1 -16.247 14.454 2.747 6 H SER 2 H SER 2 -14.319 9.546 5.082 7 HA SER 2 HA SER 2 -13.322 7.612 4.694 8 1HB SER 2 1HB SER 2 -14.281 7.795 1.809 9 2HB SER 2 2HB SER 2 -13.598 6.383 2.622 10 HG SER 2 HG SER 2 -15.852 6.360 2.634 11 H SER 3 H SER 3 -11.220 7.210 4.656 12 HA SER 3 HA SER 3 -9.014 7.312 4.222 13 1HB SER 3 1HB SER 3 -10.011 7.447 1.343 14 2HB SER 3 2HB SER 3 -8.413 6.916 1.853 15 HG SER 3 HG SER 3 -10.866 5.701 2.559 16 H PHE 4 H PHE 4 -9.925 9.779 5.000 17 HA PHE 4 HA PHE 4 -9.263 11.861 5.258 18 1HB PHE 4 1HB PHE 4 -6.991 10.781 4.297 19 2HB PHE 4 2HB PHE 4 -7.288 11.912 2.984 20 HD1 PHE 4 HD1 PHE 4 -8.491 14.124 5.079 21 HD2 PHE 4 HD2 PHE 4 -4.903 11.736 4.860 22 HE1 PHE 4 HE1 PHE 4 -7.326 15.736 6.519 23 HE2 PHE 4 HE2 PHE 4 -3.722 13.401 6.255 24 HZ PHE 4 1HZ PHE 4 -4.935 15.398 7.105 25 H ASP 5 H ASP 5 -10.425 13.632 4.624 26 HA ASP 5 HA ASP 5 -11.890 13.621 2.116 27 1HB ASP 5 1HB ASP 5 -12.909 14.325 4.234 28 2HB ASP 5 2HB ASP 5 -11.727 15.626 4.401 29 H LYS 6 H LYS 6 -9.794 13.562 0.897 30 HA LYS 6 HA LYS 6 -9.277 15.981 -0.456 31 1HB LYS 6 1HB LYS 6 -6.866 16.273 0.145 32 2HB LYS 6 2HB LYS 6 -7.965 16.697 1.449 33 1HG LYS 6 1HG LYS 6 -7.519 14.580 2.592 34 2HG LYS 6 2HG LYS 6 -6.555 13.998 1.228 35 1HD LYS 6 1HD LYS 6 -5.114 14.743 3.030 36 2HD LYS 6 2HD LYS 6 -4.890 15.763 1.598 37 1HE LYS 6 1HE LYS 6 -6.152 17.574 2.587 38 2HE LYS 6 2HE LYS 6 -6.690 16.545 3.927 39 1HZ LYS 6 1HZ LYS 6 -4.416 16.399 4.631 40 2HZ LYS 6 2HZ LYS 6 -3.925 17.357 3.381 41 3HZ LYS 6 3HZ LYS 6 -4.904 17.973 4.558 42 H GLY 7 H GLY 7 -7.267 15.639 -1.947 43 1HA GLY 7 1HA GLY 7 -7.558 13.068 -3.279 44 2HA GLY 7 2HA GLY 7 -6.566 14.450 -3.762 45 H LYS 8 H LYS 8 -4.878 12.934 -4.292 46 HA LYS 8 HA LYS 8 -3.569 11.297 -2.303 47 1HB LYS 8 1HB LYS 8 -2.645 12.339 -5.014 48 2HB LYS 8 2HB LYS 8 -1.781 11.155 -4.016 49 1HG LYS 8 1HG LYS 8 -3.723 9.620 -4.149 50 2HG LYS 8 2HG LYS 8 -4.586 10.797 -5.162 51 1HD LYS 8 1HD LYS 8 -2.915 10.594 -6.918 52 2HD LYS 8 2HD LYS 8 -1.886 9.590 -5.881 53 1HE LYS 8 1HE LYS 8 -3.091 8.211 -7.511 54 2HE LYS 8 2HE LYS 8 -3.565 7.809 -5.853 55 1HZ LYS 8 1HZ LYS 8 -5.082 9.524 -7.693 56 2HZ LYS 8 2HZ LYS 8 -5.441 7.959 -7.318 57 3HZ LYS 8 3HZ LYS 8 -5.532 9.123 -6.158 58 H TYR 9 H TYR 9 -2.640 12.234 -0.558 59 HA TYR 9 HA TYR 9 -0.713 14.459 -0.949 60 1HB TYR 9 1HB TYR 9 -2.765 15.559 -0.257 61 2HB TYR 9 2HB TYR 9 -3.003 14.387 1.038 62 HD1 TYR 9 HD1 TYR 9 -0.219 16.669 -0.149 63 HD2 TYR 9 HD2 TYR 9 -2.498 15.174 3.197 64 HE1 TYR 9 HE1 TYR 9 1.252 17.903 1.410 65 HE2 TYR 9 HE2 TYR 9 -1.047 16.440 4.747 66 HH TYR 9 HH TYR 9 1.734 18.393 3.605 67 H LYS 10 H LYS 10 0.749 12.686 -0.867 68 HA LYS 10 HA LYS 10 1.018 11.177 1.642 69 1HB LYS 10 1HB LYS 10 2.627 9.867 0.435 70 2HB LYS 10 2HB LYS 10 1.184 10.116 -0.547 71 1HG LYS 10 1HG LYS 10 2.579 12.147 -1.565 72 2HG LYS 10 2HG LYS 10 3.962 11.248 -0.941 73 1HD LYS 10 1HD LYS 10 1.830 10.235 -2.872 74 2HD LYS 10 2HD LYS 10 3.467 10.730 -3.306 75 1HE LYS 10 1HE LYS 10 2.795 8.367 -1.497 76 2HE LYS 10 2HE LYS 10 3.192 8.270 -3.217 77 1HZ LYS 10 1HZ LYS 10 5.323 9.230 -2.720 78 2HZ LYS 10 2HZ LYS 10 4.954 9.284 -1.112 79 3HZ LYS 10 3HZ LYS 10 5.088 7.831 -1.877 80 H LYS 11 H LYS 11 1.402 14.055 1.867 81 HA LYS 11 HA LYS 11 2.701 15.537 2.876 82 1HB LYS 11 1HB LYS 11 2.987 13.723 4.477 83 2HB LYS 11 2HB LYS 11 4.456 13.170 3.692 84 1HG LYS 11 1HG LYS 11 4.102 15.946 4.908 85 2HG LYS 11 2HG LYS 11 4.726 14.531 5.761 86 1HD LYS 11 1HD LYS 11 6.532 14.377 3.914 87 2HD LYS 11 2HD LYS 11 6.015 16.014 3.454 88 1HE LYS 11 1HE LYS 11 7.885 16.256 4.886 89 2HE LYS 11 2HE LYS 11 6.463 16.747 5.822 90 1HZ LYS 11 1HZ LYS 11 7.802 14.131 5.948 91 2HZ LYS 11 2HZ LYS 11 7.955 15.340 7.057 92 3HZ LYS 11 3HZ LYS 11 6.504 14.586 6.856 93 H GLY 12 H GLY 12 5.409 13.473 1.927 94 1HA GLY 12 1HA GLY 12 6.089 14.736 -0.525 95 2HA GLY 12 2HA GLY 12 7.025 15.474 0.790 96 H ASP 13 H ASP 13 6.393 12.295 1.703 97 HA ASP 13 HA ASP 13 7.634 10.527 2.033 98 1HB ASP 13 1HB ASP 13 7.908 9.171 0.093 99 2HB ASP 13 2HB ASP 13 6.446 10.135 -0.047 100 H ASP 14 H ASP 14 9.258 12.923 2.318 101 HA ASP 14 HA ASP 14 11.385 13.544 2.684 102 1HB ASP 14 1HB ASP 14 11.735 10.576 3.272 103 2HB ASP 14 2HB ASP 14 12.692 11.909 3.936 104 H ALA 15 H ALA 15 10.964 13.192 -0.044 105 HA ALA 15 HA ALA 15 13.565 12.935 -1.200 106 1HB ALA 15 1HB ALA 15 11.668 10.555 -1.490 107 2HB ALA 15 2HB ALA 15 13.035 10.866 -2.572 108 3HB ALA 15 3HB ALA 15 13.323 10.531 -0.857 109 H SER 16 H SER 16 10.057 12.542 -1.648 110 HA SER 16 HA SER 16 8.547 13.392 -3.037 111 1HB SER 16 1HB SER 16 9.648 15.577 -2.500 112 2HB SER 16 2HB SER 16 10.590 15.433 -3.998 113 HG SER 16 HG SER 16 8.593 15.293 -5.112 114 H TYR 17 H TYR 17 9.760 11.102 -3.743 115 HA TYR 17 HA TYR 17 10.231 9.663 -5.408 116 1HB TYR 17 1HB TYR 17 7.888 10.025 -5.769 117 2HB TYR 17 2HB TYR 17 8.187 11.502 -6.677 118 HD1 TYR 17 HD1 TYR 17 9.860 8.134 -7.126 119 HD2 TYR 17 HD2 TYR 17 7.118 11.067 -8.715 120 HE1 TYR 17 HE1 TYR 17 9.879 6.979 -9.315 121 HE2 TYR 17 HE2 TYR 17 7.134 9.898 -10.892 122 HH TYR 17 HH TYR 17 9.175 7.020 -11.506 123 H PHE 18 H PHE 18 12.426 10.838 -5.251 124 HA PHE 18 HA PHE 18 13.409 11.530 -7.928 125 1HB PHE 18 1HB PHE 18 12.417 13.641 -7.255 126 2HB PHE 18 2HB PHE 18 13.185 13.556 -5.679 127 HD1 PHE 18 HD1 PHE 18 14.001 13.692 -9.350 128 HD2 PHE 18 HD2 PHE 18 15.252 14.659 -5.337 129 HE1 PHE 18 HE1 PHE 18 15.894 15.019 -10.253 130 HE2 PHE 18 HE2 PHE 18 17.152 15.961 -6.245 131 HZ PHE 18 1HZ PHE 18 17.463 16.165 -8.703 132 H GLU 19 H GLU 19 14.764 9.794 -7.663 133 HA GLU 19 HA GLU 19 16.736 8.881 -7.427 134 1HB GLU 19 1HB GLU 19 17.534 11.660 -6.427 135 2HB GLU 19 2HB GLU 19 18.664 10.412 -6.918 136 1HG GLU 19 1HG GLU 19 17.495 10.324 -9.165 137 2HG GLU 19 2HG GLU 19 16.594 11.767 -8.677 138 HA PRO 20 HA PRO 20 17.756 7.262 -3.350 139 1HB PRO 20 1HB PRO 20 20.647 7.814 -4.067 140 2HB PRO 20 2HB PRO 20 19.925 6.342 -3.355 141 1HG PRO 20 1HG PRO 20 20.508 6.403 -5.970 142 2HG PRO 20 2HG PRO 20 18.928 5.748 -5.430 143 1HD PRO 20 1HD PRO 20 19.568 8.496 -6.499 144 2HD PRO 20 2HD PRO 20 18.247 7.387 -6.977 145 H THR 21 H THR 21 16.873 8.807 -2.025 146 HA THR 21 HA THR 21 18.646 10.877 -0.863 147 HB THR 21 HB THR 21 16.803 12.537 -1.045 148 HG1 THR 21 HG1 THR 21 15.720 10.676 -2.887 149 1HG2 THR 21 1HG2 THR 21 18.706 12.583 -2.650 150 2HG2 THR 21 2HG2 THR 21 17.762 11.581 -3.777 151 H GLY 22 H GLY 22 15.570 9.020 -0.726 152 1HA GLY 22 1HA GLY 22 16.053 8.346 1.964 153 2HA GLY 22 2HA GLY 22 14.831 9.626 1.943 154 HA PRO 23 HA PRO 23 12.852 5.536 0.477 155 1HB PRO 23 1HB PRO 23 12.811 3.710 2.419 156 2HB PRO 23 2HB PRO 23 14.332 4.017 1.536 157 1HG PRO 23 1HG PRO 23 13.512 5.237 4.196 158 2HG PRO 23 2HG PRO 23 15.030 4.364 3.821 159 1HD PRO 23 1HD PRO 23 14.855 7.097 3.688 160 2HD PRO 23 2HD PRO 23 15.849 6.153 2.536 161 H TYR 24 H TYR 24 10.785 4.521 1.129 162 HA TYR 24 HA TYR 24 9.152 5.768 3.167 163 1HB TYR 24 1HB TYR 24 7.639 6.895 1.500 164 2HB TYR 24 2HB TYR 24 9.183 7.674 1.769 165 HD1 TYR 24 HD1 TYR 24 10.913 7.764 0.027 166 HD2 TYR 24 HD2 TYR 24 7.101 5.910 -0.686 167 HE1 TYR 24 HE1 TYR 24 11.362 7.793 -2.407 168 HE2 TYR 24 HE2 TYR 24 7.498 6.030 -3.131 169 HH TYR 24 HH TYR 24 8.988 6.572 -4.801 170 H LEU 25 H LEU 25 6.905 5.086 3.052 171 HA LEU 25 HA LEU 25 6.246 2.658 1.551 172 1HB LEU 25 1HB LEU 25 7.787 1.858 3.251 173 2HB LEU 25 2HB LEU 25 6.889 2.642 4.541 174 HG LEU 25 HG LEU 25 5.593 0.527 2.784 175 1HD1 LEU 25 1HD1 LEU 25 7.683 -0.449 3.649 176 2HD1 LEU 25 2HD1 LEU 25 7.238 0.055 5.298 177 3HD1 LEU 25 3HD1 LEU 25 6.279 -1.170 4.441 178 1HD2 LEU 25 1HD2 LEU 25 5.079 1.535 5.617 179 2HD2 LEU 25 2HD2 LEU 25 3.992 1.612 4.211 180 3HD2 LEU 25 3HD2 LEU 25 4.349 0.062 4.956 181 H MET 26 H MET 26 4.167 3.107 1.016 182 HA MET 26 HA MET 26 2.438 4.696 2.825 183 1HB MET 26 1HB MET 26 1.984 3.808 -0.042 184 2HB MET 26 2HB MET 26 0.962 4.879 0.924 185 1HG MET 26 1HG MET 26 2.157 6.372 -0.375 186 2HG MET 26 2HG MET 26 2.987 6.406 1.173 187 1HE MET 26 1HE MET 26 3.121 5.613 -2.623 188 2HE MET 26 2HE MET 26 4.582 4.613 -2.791 189 3HE MET 26 3HE MET 26 3.143 3.950 -1.989 190 H VAL 27 H VAL 27 0.325 3.999 3.373 191 HA VAL 27 HA VAL 27 -0.316 1.103 3.130 192 HB VAL 27 HB VAL 27 -0.256 2.647 5.763 193 1HG1 VAL 27 1HG1 VAL 27 -1.991 0.851 5.620 194 2HG1 VAL 27 2HG1 VAL 27 -0.720 -0.315 5.192 195 3HG1 VAL 27 3HG1 VAL 27 -0.721 0.480 6.781 196 1HG2 VAL 27 1HG2 VAL 27 1.678 0.543 4.727 197 2HG2 VAL 27 2HG2 VAL 27 2.034 2.242 5.148 198 3HG2 VAL 27 3HG2 VAL 27 1.582 1.103 6.407 199 H ASN 28 H ASN 28 -2.008 1.693 1.700 200 HA ASN 28 HA ASN 28 -4.372 2.937 2.993 201 1HB ASN 28 1HB ASN 28 -3.352 3.875 0.288 202 2HB ASN 28 2HB ASN 28 -4.689 4.541 1.229 203 1HD2 ASN 28 1HD2 ASN 28 -2.560 6.307 3.544 204 2HD2 ASN 28 2HD2 ASN 28 -4.083 5.450 3.437 205 H VAL 29 H VAL 29 -5.956 3.063 0.671 206 HA VAL 29 HA VAL 29 -5.984 0.324 -0.468 207 HB VAL 29 HB VAL 29 -8.353 0.096 -0.065 208 1HG1 VAL 29 1HG1 VAL 29 -6.765 -0.756 1.658 209 2HG1 VAL 29 2HG1 VAL 29 -7.028 0.738 2.591 210 3HG1 VAL 29 3HG1 VAL 29 -8.373 -0.376 2.297 211 1HG2 VAL 29 1HG2 VAL 29 -8.214 2.726 1.477 212 2HG2 VAL 29 2HG2 VAL 29 -9.139 2.411 -0.009 213 3HG2 VAL 29 3HG2 VAL 29 -9.585 1.602 1.493 214 H THR 30 H THR 30 -6.919 0.182 -2.513 215 HA THR 30 HA THR 30 -7.405 2.720 -3.961 216 HB THR 30 HB THR 30 -7.506 -0.127 -5.030 217 HG1 THR 30 HG1 THR 30 -5.377 1.739 -4.952 218 1HG2 THR 30 1HG2 THR 30 -7.193 0.957 -7.184 219 2HG2 THR 30 2HG2 THR 30 -8.578 1.740 -6.400 220 H GLY 31 H GLY 31 -9.310 3.473 -3.054 221 1HA GLY 31 1HA GLY 31 -11.475 1.725 -2.292 222 2HA GLY 31 2HA GLY 31 -11.390 3.492 -2.182 223 H VAL 32 H VAL 32 -12.234 0.764 -4.248 224 HA VAL 32 HA VAL 32 -13.295 2.525 -6.378 225 HB VAL 32 HB VAL 32 -13.364 0.483 -7.713 226 1HG1 VAL 32 1HG1 VAL 32 -11.363 1.914 -7.756 227 2HG1 VAL 32 2HG1 VAL 32 -10.657 0.945 -6.444 228 3HG1 VAL 32 3HG1 VAL 32 -10.966 0.206 -8.025 229 1HG2 VAL 32 1HG2 VAL 32 -13.649 -1.167 -5.802 230 2HG2 VAL 32 2HG2 VAL 32 -12.430 -1.598 -7.005 231 3HG2 VAL 32 3HG2 VAL 32 -11.925 -0.942 -5.440 232 H ASP 33 H ASP 33 -15.213 1.716 -7.543 233 HA ASP 33 HA ASP 33 -17.466 0.927 -5.791 234 1HB ASP 33 1HB ASP 33 -17.229 1.688 -8.739 235 2HB ASP 33 2HB ASP 33 -18.740 1.193 -7.973 236 H SER 34 H SER 34 -18.944 -0.746 -7.039 237 HA SER 34 HA SER 34 -17.699 -3.290 -7.159 238 1HB SER 34 1HB SER 34 -20.093 -2.918 -6.695 239 2HB SER 34 2HB SER 34 -20.337 -2.335 -8.355 240 HG SER 34 HG SER 34 -19.652 -4.393 -9.077 241 H LYS 35 H LYS 35 -18.534 -0.897 -9.687 242 HA LYS 35 HA LYS 35 -17.806 -2.407 -11.983 243 1HB LYS 35 1HB LYS 35 -17.710 0.591 -11.435 244 2HB LYS 35 2HB LYS 35 -17.557 -0.143 -13.035 245 1HG LYS 35 1HG LYS 35 -20.016 -0.351 -11.230 246 2HG LYS 35 2HG LYS 35 -19.804 0.766 -12.583 247 1HD LYS 35 1HD LYS 35 -19.521 -1.191 -14.127 248 2HD LYS 35 2HD LYS 35 -19.900 -2.276 -12.771 249 1HE LYS 35 1HE LYS 35 -22.095 -1.176 -12.491 250 2HE LYS 35 2HE LYS 35 -21.729 -0.093 -13.849 251 1HZ LYS 35 1HZ LYS 35 -21.923 -3.016 -13.998 252 2HZ LYS 35 2HZ LYS 35 -23.058 -1.940 -14.522 253 3HZ LYS 35 3HZ LYS 35 -21.583 -2.007 -15.257 254 H GLY 36 H GLY 36 -15.929 -0.004 -10.085 255 1HA GLY 36 1HA GLY 36 -13.628 -0.892 -9.483 256 2HA GLY 36 2HA GLY 36 -13.373 -1.074 -11.217 257 H ASN 37 H ASN 37 -15.249 1.642 -9.914 258 HA ASN 37 HA ASN 37 -13.293 3.520 -11.122 259 1HB ASN 37 1HB ASN 37 -16.171 3.894 -10.226 260 2HB ASN 37 2HB ASN 37 -15.178 5.080 -11.085 261 1HD2 ASN 37 1HD2 ASN 37 -17.452 2.828 -13.329 262 2HD2 ASN 37 2HD2 ASN 37 -17.763 3.459 -11.726 263 H GLU 38 H GLU 38 -11.852 4.420 -9.751 264 HA GLU 38 HA GLU 38 -12.008 4.219 -6.943 265 1HB GLU 38 1HB GLU 38 -9.926 4.397 -8.294 266 2HB GLU 38 2HB GLU 38 -10.278 6.116 -8.547 267 1HG GLU 38 1HG GLU 38 -10.335 6.376 -6.016 268 2HG GLU 38 2HG GLU 38 -9.828 4.691 -5.882 269 H LEU 39 H LEU 39 -13.381 5.280 -5.627 270 HA LEU 39 HA LEU 39 -14.573 7.867 -6.309 271 1HB LEU 39 1HB LEU 39 -14.684 6.369 -3.656 272 2HB LEU 39 2HB LEU 39 -15.652 7.736 -4.186 273 HG LEU 39 HG LEU 39 -16.397 6.054 -6.127 274 1HD1 LEU 39 1HD1 LEU 39 -15.487 4.238 -3.831 275 2HD1 LEU 39 2HD1 LEU 39 -16.645 3.738 -5.064 276 3HD1 LEU 39 3HD1 LEU 39 -14.994 4.139 -5.532 277 1HD2 LEU 39 1HD2 LEU 39 -17.399 5.923 -3.249 278 2HD2 LEU 39 2HD2 LEU 39 -17.888 7.115 -4.475 279 3HD2 LEU 39 3HD2 LEU 39 -18.307 5.410 -4.688 280 H LEU 40 H LEU 40 -12.310 6.495 -3.905 281 HA LEU 40 HA LEU 40 -11.777 9.118 -2.714 282 1HB LEU 40 1HB LEU 40 -10.705 6.393 -1.917 283 2HB LEU 40 2HB LEU 40 -10.851 7.851 -0.917 284 HG LEU 40 HG LEU 40 -13.129 6.117 -1.963 285 1HD1 LEU 40 1HD1 LEU 40 -11.845 5.159 -0.101 286 2HD1 LEU 40 2HD1 LEU 40 -12.102 6.645 0.836 287 3HD1 LEU 40 3HD1 LEU 40 -13.485 5.629 0.392 288 1HD2 LEU 40 1HD2 LEU 40 -13.222 8.669 -0.283 289 2HD2 LEU 40 2HD2 LEU 40 -13.884 8.479 -1.920 290 3HD2 LEU 40 3HD2 LEU 40 -14.598 7.581 -0.581 291 H SER 41 H SER 41 -9.089 8.204 -1.779 292 HA SER 41 HA SER 41 -7.429 8.093 -4.170 293 1HB SER 41 1HB SER 41 -7.479 10.527 -2.345 294 2HB SER 41 2HB SER 41 -6.121 10.121 -3.408 295 HG SER 41 HG SER 41 -8.790 10.589 -4.219 296 HA PRO 42 HA PRO 42 -5.150 6.036 -0.739 297 1HB PRO 42 1HB PRO 42 -3.221 4.800 -2.219 298 2HB PRO 42 2HB PRO 42 -4.907 4.236 -2.199 299 1HG PRO 42 1HG PRO 42 -3.582 6.031 -4.232 300 2HG PRO 42 2HG PRO 42 -4.548 4.558 -4.542 301 1HD PRO 42 1HD PRO 42 -5.606 7.060 -4.681 302 2HD PRO 42 2HD PRO 42 -6.572 5.688 -4.054 303 H HIS 43 H HIS 43 -2.488 5.932 -0.552 304 HA HIS 43 HA HIS 43 -0.565 7.027 -0.165 305 1HB HIS 43 1HB HIS 43 -1.272 8.800 -2.534 306 2HB HIS 43 2HB HIS 43 0.320 8.469 -1.856 307 HD1 HIS 43 HD1 HIS 43 -1.290 7.633 -4.820 308 HD2 HIS 43 HD2 HIS 43 0.479 5.365 -1.750 309 HE1 HIS 43 HE1 HIS 43 -0.651 5.379 -5.842 310 H TYR 44 H TYR 44 -1.613 7.706 1.867 311 HA TYR 44 HA TYR 44 -1.228 10.577 2.149 312 1HB TYR 44 1HB TYR 44 -3.265 10.918 3.488 313 2HB TYR 44 2HB TYR 44 -3.528 10.707 1.767 314 HD1 TYR 44 HD1 TYR 44 -4.569 8.656 0.849 315 HD2 TYR 44 HD2 TYR 44 -4.276 9.368 5.083 316 HE1 TYR 44 HE1 TYR 44 -6.092 6.746 1.277 317 HE2 TYR 44 HE2 TYR 44 -5.717 7.392 5.514 318 HH TYR 44 HH TYR 44 -7.009 5.361 2.864 319 H VAL 45 H VAL 45 -2.358 7.772 4.141 320 HA VAL 45 HA VAL 45 -0.503 8.376 6.287 321 HB VAL 45 HB VAL 45 -2.103 5.897 5.556 322 1HG1 VAL 45 1HG1 VAL 45 -0.217 6.313 7.910 323 2HG1 VAL 45 2HG1 VAL 45 -1.415 5.007 7.785 324 3HG1 VAL 45 3HG1 VAL 45 -0.077 5.077 6.638 325 1HG2 VAL 45 1HG2 VAL 45 -3.359 7.835 6.513 326 2HG2 VAL 45 2HG2 VAL 45 -3.325 6.468 7.631 327 3HG2 VAL 45 3HG2 VAL 45 -2.257 7.858 7.897 328 H GLU 46 H GLU 46 1.610 8.066 6.270 329 HA GLU 46 HA GLU 46 2.903 6.025 4.606 330 1HB GLU 46 1HB GLU 46 2.649 8.004 3.125 331 2HB GLU 46 2HB GLU 46 3.446 9.017 4.340 332 1HG GLU 46 1HG GLU 46 5.543 7.742 4.056 333 2HG GLU 46 2HG GLU 46 4.730 6.622 2.947 334 H PHE 47 H PHE 47 5.036 5.591 5.241 335 HA PHE 47 HA PHE 47 6.006 6.814 7.759 336 1HB PHE 47 1HB PHE 47 5.838 3.819 7.241 337 2HB PHE 47 2HB PHE 47 6.388 4.606 8.715 338 HD1 PHE 47 HD1 PHE 47 4.677 5.957 10.090 339 HD2 PHE 47 HD2 PHE 47 3.535 3.302 6.892 340 HE1 PHE 47 HE1 PHE 47 2.366 5.856 10.992 341 HE2 PHE 47 HE2 PHE 47 1.232 3.193 7.808 342 HZ PHE 47 1HZ PHE 47 0.648 4.461 9.860 343 HA PRO 48 HA PRO 48 9.937 6.088 5.520 344 1HB PRO 48 1HB PRO 48 11.714 6.375 7.559 345 2HB PRO 48 2HB PRO 48 10.849 7.767 6.845 346 1HG PRO 48 1HG PRO 48 10.147 6.262 9.376 347 2HG PRO 48 2HG PRO 48 10.242 8.028 9.137 348 1HD PRO 48 1HD PRO 48 7.888 6.629 9.027 349 2HD PRO 48 2HD PRO 48 8.170 8.074 8.011 350 H ILE 49 H ILE 49 10.688 4.054 5.040 351 HA ILE 49 HA ILE 49 9.409 1.901 6.177 352 HB ILE 49 HB ILE 49 10.308 2.031 3.889 353 1HG1 ILE 49 1HG1 ILE 49 11.335 -0.479 5.294 354 2HG1 ILE 49 2HG1 ILE 49 9.598 -0.114 5.068 355 1HG2 ILE 49 1HG2 ILE 49 12.616 2.873 4.556 356 2HG2 ILE 49 2HG2 ILE 49 13.011 1.224 5.063 357 3HG2 ILE 49 3HG2 ILE 49 12.620 1.556 3.370 358 1HD1 ILE 49 1HD1 ILE 49 9.977 0.028 2.618 359 2HD1 ILE 49 2HD1 ILE 49 11.667 -0.477 2.849 360 3HD1 ILE 49 3HD1 ILE 49 10.347 -1.576 3.287 361 H LYS 50 H LYS 50 9.894 0.229 7.507 362 HA LYS 50 HA LYS 50 12.505 0.160 8.936 363 1HB LYS 50 1HB LYS 50 10.871 1.132 10.445 364 2HB LYS 50 2HB LYS 50 9.760 -0.218 10.171 365 1HG LYS 50 1HG LYS 50 11.484 -1.792 11.075 366 2HG LYS 50 2HG LYS 50 12.570 -0.418 11.362 367 1HD LYS 50 1HD LYS 50 10.927 0.563 12.921 368 2HD LYS 50 2HD LYS 50 9.807 -0.780 12.618 369 1HE LYS 50 1HE LYS 50 12.607 -1.063 13.805 370 2HE LYS 50 2HE LYS 50 11.098 -1.040 14.734 371 1HZ LYS 50 1HZ LYS 50 10.405 -2.992 13.545 372 2HZ LYS 50 2HZ LYS 50 11.827 -3.036 12.712 373 3HZ LYS 50 3HZ LYS 50 11.822 -3.255 14.344 374 HA PRO 51 HA PRO 51 11.566 -3.900 6.957 375 1HB PRO 51 1HB PRO 51 14.104 -4.737 6.454 376 2HB PRO 51 2HB PRO 51 13.301 -3.492 5.453 377 1HG PRO 51 1HG PRO 51 15.211 -3.042 7.756 378 2HG PRO 51 2HG PRO 51 15.282 -2.322 6.121 379 1HD PRO 51 1HD PRO 51 14.181 -1.037 8.253 380 2HD PRO 51 2HD PRO 51 13.496 -0.842 6.611 381 H GLY 52 H GLY 52 11.923 -6.081 7.755 382 1HA GLY 52 1HA GLY 52 12.433 -7.664 9.389 383 2HA GLY 52 2HA GLY 52 13.151 -6.430 10.423 384 H THR 53 H THR 53 9.971 -7.019 8.853 385 HA THR 53 HA THR 53 8.611 -7.294 11.406 386 HB THR 53 1HB THR 53 8.588 -4.845 11.147 387 HG1 THR 53 HG1 THR 53 6.783 -5.949 12.003 388 1HG2 THR 53 1HG2 THR 53 7.064 -5.287 8.539 389 2HG2 THR 53 2HG2 THR 53 7.410 -3.739 9.325 390 H THR 54 H THR 54 6.608 -8.397 11.167 391 HA THR 54 HA THR 54 6.569 -10.243 9.046 392 HB THR 54 HB THR 54 4.320 -9.516 10.957 393 HG1 THR 54 HG1 THR 54 6.449 -11.372 11.169 394 1HG2 THR 54 1HG2 THR 54 3.655 -11.895 10.657 395 2HG2 THR 54 2HG2 THR 54 3.550 -11.015 9.126 396 H LEU 55 H LEU 55 5.406 -10.423 7.164 397 HA LEU 55 HA LEU 55 3.617 -8.231 6.309 398 1HB LEU 55 1HB LEU 55 6.170 -7.886 5.792 399 2HB LEU 55 2HB LEU 55 5.951 -9.100 4.559 400 HG LEU 55 HG LEU 55 5.776 -6.958 3.555 401 1HD1 LEU 55 1HD1 LEU 55 4.109 -8.579 2.711 402 2HD1 LEU 55 2HD1 LEU 55 2.899 -7.915 3.838 403 3HD1 LEU 55 3HD1 LEU 55 3.569 -6.900 2.551 404 1HD2 LEU 55 1HD2 LEU 55 5.324 -5.663 5.630 405 2HD2 LEU 55 2HD2 LEU 55 4.324 -5.164 4.261 406 3HD2 LEU 55 3HD2 LEU 55 3.623 -6.152 5.553 407 H THR 56 H THR 56 2.051 -9.863 6.608 408 HA THR 56 HA THR 56 1.836 -11.790 4.342 409 HB THR 56 HB THR 56 0.990 -13.479 5.845 410 HG1 THR 56 HG1 THR 56 1.505 -11.621 7.926 411 1HG2 THR 56 1HG2 THR 56 3.514 -13.252 5.569 412 2HG2 THR 56 2HG2 THR 56 3.549 -12.413 7.125 413 H LYS 57 H LYS 57 -0.603 -12.679 4.469 414 HA LYS 57 HA LYS 57 -2.208 -10.555 3.645 415 1HB LYS 57 1HB LYS 57 -2.613 -12.886 3.016 416 2HB LYS 57 2HB LYS 57 -3.066 -13.283 4.685 417 1HG LYS 57 1HG LYS 57 -4.984 -11.756 4.572 418 2HG LYS 57 2HG LYS 57 -4.514 -11.239 2.940 419 1HD LYS 57 1HD LYS 57 -4.895 -13.485 2.073 420 2HD LYS 57 2HD LYS 57 -5.245 -14.105 3.697 421 1HE LYS 57 1HE LYS 57 -6.866 -11.914 2.323 422 2HE LYS 57 2HE LYS 57 -7.288 -13.636 2.298 423 1HZ LYS 57 1HZ LYS 57 -7.423 -13.567 4.680 424 2HZ LYS 57 2HZ LYS 57 -7.061 -11.959 4.693 425 3HZ LYS 57 3HZ LYS 57 -8.458 -12.482 3.997 426 H GLU 58 H GLU 58 -2.410 -12.329 6.761 427 HA GLU 58 HA GLU 58 -4.492 -10.907 7.906 428 1HB GLU 58 1HB GLU 58 -3.614 -11.701 10.082 429 2HB GLU 58 2HB GLU 58 -3.787 -12.959 8.852 430 1HG GLU 58 1HG GLU 58 -1.378 -12.929 8.403 431 2HG GLU 58 2HG GLU 58 -1.143 -11.630 9.584 432 H LYS 59 H LYS 59 -0.994 -10.046 8.006 433 HA LYS 59 HA LYS 59 -1.230 -7.894 9.838 434 1HB LYS 59 1HB LYS 59 0.738 -8.313 7.553 435 2HB LYS 59 2HB LYS 59 0.904 -7.104 8.825 436 1HG LYS 59 1HG LYS 59 0.895 -10.127 9.232 437 2HG LYS 59 2HG LYS 59 2.291 -9.054 9.206 438 1HD LYS 59 1HD LYS 59 2.091 -8.970 11.439 439 2HD LYS 59 2HD LYS 59 0.810 -7.805 11.129 440 1HE LYS 59 1HE LYS 59 0.000 -9.443 12.708 441 2HE LYS 59 2HE LYS 59 -0.834 -9.773 11.182 442 1HZ LYS 59 1HZ LYS 59 1.530 -11.181 12.212 443 2HZ LYS 59 2HZ LYS 59 -0.017 -11.751 12.219 444 3HZ LYS 59 3HZ LYS 59 0.769 -11.516 10.789 445 H ILE 60 H ILE 60 -1.005 -7.770 6.259 446 HA ILE 60 HA ILE 60 -1.425 -5.013 5.987 447 HB ILE 60 HB ILE 60 -1.998 -7.295 4.058 448 1HG1 ILE 60 1HG1 ILE 60 0.337 -7.330 4.673 449 2HG1 ILE 60 2HG1 ILE 60 0.156 -6.662 3.019 450 1HG2 ILE 60 1HG2 ILE 60 -1.804 -4.307 3.523 451 2HG2 ILE 60 2HG2 ILE 60 -1.734 -5.562 2.269 452 3HG2 ILE 60 3HG2 ILE 60 -3.190 -5.374 3.244 453 1HD1 ILE 60 1HD1 ILE 60 0.391 -4.345 4.071 454 2HD1 ILE 60 2HD1 ILE 60 0.790 -5.150 5.607 455 3HD1 ILE 60 3HD1 ILE 60 1.816 -5.382 4.188 456 H GLU 61 H GLU 61 -3.823 -7.661 6.025 457 HA GLU 61 HA GLU 61 -6.024 -6.392 5.025 458 1HB GLU 61 1HB GLU 61 -5.906 -8.769 5.561 459 2HB GLU 61 2HB GLU 61 -5.912 -8.415 7.299 460 1HG GLU 61 1HG GLU 61 -8.184 -7.483 7.122 461 2HG GLU 61 2HG GLU 61 -8.142 -7.663 5.357 462 H TYR 62 H TYR 62 -5.284 -6.533 8.586 463 HA TYR 62 HA TYR 62 -7.356 -4.607 9.170 464 1HB TYR 62 1HB TYR 62 -6.588 -4.727 11.440 465 2HB TYR 62 2HB TYR 62 -6.831 -6.317 10.744 466 HD1 TYR 62 HD1 TYR 62 -4.114 -3.799 11.502 467 HD2 TYR 62 HD2 TYR 62 -5.189 -7.957 11.119 468 HE1 TYR 62 HE1 TYR 62 -1.901 -4.445 12.369 469 HE2 TYR 62 HE2 TYR 62 -2.984 -8.602 12.035 470 HH TYR 62 HH TYR 62 -0.531 -6.173 13.011 471 H TYR 63 H TYR 63 -3.906 -4.350 8.439 472 HA TYR 63 HA TYR 63 -3.457 -1.945 9.832 473 1HB TYR 63 1HB TYR 63 -1.742 -3.577 9.237 474 2HB TYR 63 2HB TYR 63 -1.971 -3.223 7.522 475 HD1 TYR 63 HD1 TYR 63 -1.790 -0.525 10.141 476 HD2 TYR 63 HD2 TYR 63 0.388 -2.837 7.212 477 HE1 TYR 63 HE1 TYR 63 0.140 0.978 10.387 478 HE2 TYR 63 HE2 TYR 63 2.344 -1.353 7.514 479 HH TYR 63 HH TYR 63 2.308 1.437 9.765 480 H VAL 64 H VAL 64 -4.354 -2.540 6.404 481 HA VAL 64 HA VAL 64 -4.236 0.257 5.668 482 HB VAL 64 HB VAL 64 -5.286 -0.384 3.625 483 1HG1 VAL 64 1HG1 VAL 64 -2.888 -0.739 3.834 484 2HG1 VAL 64 2HG1 VAL 64 -3.149 -2.392 4.423 485 3HG1 VAL 64 3HG1 VAL 64 -3.616 -1.952 2.772 486 1HG2 VAL 64 1HG2 VAL 64 -5.703 -3.145 4.830 487 2HG2 VAL 64 2HG2 VAL 64 -6.960 -2.005 4.321 488 3HG2 VAL 64 3HG2 VAL 64 -5.895 -2.741 3.119 489 H GLU 65 H GLU 65 -6.712 -1.850 7.091 490 HA GLU 65 HA GLU 65 -8.912 -0.025 6.725 491 1HB GLU 65 1HB GLU 65 -8.468 -2.331 8.649 492 2HB GLU 65 2HB GLU 65 -9.960 -1.387 8.549 493 1HG GLU 65 1HG GLU 65 -10.239 -1.983 6.185 494 2HG GLU 65 2HG GLU 65 -8.737 -2.910 6.210 495 H TRP 66 H TRP 66 -6.333 -0.379 9.171 496 HA TRP 66 HA TRP 66 -7.464 1.511 11.054 497 1HB TRP 66 1HB TRP 66 -4.626 0.540 10.678 498 2HB TRP 66 2HB TRP 66 -5.228 1.480 12.037 499 HD1 TRP 66 HD1 TRP 66 -3.792 -0.973 12.763 500 HE1 TRP 66 HE1 TRP 66 -4.855 -2.976 13.901 501 HE3 TRP 66 HE3 TRP 66 -8.708 -0.271 11.317 502 HZ2 TRP 66 HZ2 TRP 66 -7.470 -4.153 14.163 503 HZ3 TRP 66 HZ3 TRP 66 -10.412 -1.881 11.999 504 HH2 TRP 66 HH2 TRP 66 -9.827 -3.826 13.426 505 H ALA 67 H ALA 67 -5.398 1.793 8.166 506 HA ALA 67 HA ALA 67 -4.419 4.408 8.680 507 1HB ALA 67 1HB ALA 67 -3.413 2.912 7.033 508 2HB ALA 67 2HB ALA 67 -4.880 2.977 6.032 509 3HB ALA 67 3HB ALA 67 -3.913 4.439 6.274 510 H LEU 68 H LEU 68 -7.143 3.325 6.585 511 HA LEU 68 HA LEU 68 -8.139 5.936 6.057 512 1HB LEU 68 1HB LEU 68 -10.103 4.799 5.137 513 2HB LEU 68 2HB LEU 68 -8.566 4.156 4.573 514 HG LEU 68 HG LEU 68 -8.896 2.327 6.424 515 1HD1 LEU 68 1HD1 LEU 68 -11.779 3.207 5.965 516 2HD1 LEU 68 2HD1 LEU 68 -11.278 1.681 6.711 517 3HD1 LEU 68 3HD1 LEU 68 -10.944 3.208 7.519 518 1HD2 LEU 68 1HD2 LEU 68 -10.487 2.408 3.842 519 2HD2 LEU 68 2HD2 LEU 68 -8.798 1.896 4.037 520 3HD2 LEU 68 3HD2 LEU 68 -10.098 0.941 4.763 521 H ASP 69 H ASP 69 -8.638 3.786 8.802 522 HA ASP 69 HA ASP 69 -11.032 5.063 9.752 523 1HB ASP 69 1HB ASP 69 -10.446 2.771 10.361 524 2HB ASP 69 2HB ASP 69 -8.977 3.332 11.174 525 H ALA 70 H ALA 70 -7.533 5.390 10.430 526 HA ALA 70 HA ALA 70 -7.917 7.446 12.464 527 1HB ALA 70 1HB ALA 70 -6.201 5.691 12.670 528 2HB ALA 70 2HB ALA 70 -5.399 6.293 11.204 529 3HB ALA 70 3HB ALA 70 -5.482 7.310 12.661 530 H THR 71 H THR 71 -9.112 8.418 10.249 531 HA THR 71 HA THR 71 -7.865 10.934 9.991 532 HB THR 71 1HB THR 71 -6.414 9.917 8.314 533 HG1 THR 71 HG1 THR 71 -7.210 12.011 7.996 534 1HG2 THR 71 1HG2 THR 71 -7.264 9.007 6.223 535 2HG2 THR 71 2HG2 THR 71 -7.815 8.009 7.581 536 H ALA 72 H ALA 72 -10.223 8.606 8.629 537 HA ALA 72 HA ALA 72 -12.422 10.490 9.005 538 1HB ALA 72 1HB ALA 72 -11.584 9.647 6.198 539 2HB ALA 72 2HB ALA 72 -13.082 10.491 6.639 540 3HB ALA 72 3HB ALA 72 -11.517 11.294 6.857 541 H TYR 73 H TYR 73 -13.127 8.827 10.388 542 HA TYR 73 HA TYR 73 -14.365 6.497 8.978 543 1HB TYR 73 1HB TYR 73 -12.780 5.995 10.876 544 2HB TYR 73 2HB TYR 73 -13.862 6.860 11.954 545 HD1 TYR 73 HD1 TYR 73 -13.905 4.116 9.354 546 HD2 TYR 73 HD2 TYR 73 -15.439 5.524 13.133 547 HE1 TYR 73 HE1 TYR 73 -15.181 2.011 9.623 548 HE2 TYR 73 HE2 TYR 73 -16.703 3.414 13.404 549 HH TYR 73 HH TYR 73 -16.620 0.801 10.951 550 H LYS 74 H LYS 74 -15.377 8.955 8.465 551 HA LYS 74 HA LYS 74 -17.456 9.705 10.369 552 1HB LYS 74 1HB LYS 74 -16.077 11.320 9.182 553 2HB LYS 74 2HB LYS 74 -16.674 10.786 7.622 554 1HG LYS 74 1HG LYS 74 -18.507 11.824 9.834 555 2HG LYS 74 2HG LYS 74 -17.640 12.926 8.776 556 1HD LYS 74 1HD LYS 74 -19.740 10.902 7.891 557 2HD LYS 74 2HD LYS 74 -19.926 12.645 8.036 558 1HE LYS 74 1HE LYS 74 -18.152 11.197 6.029 559 2HE LYS 74 2HE LYS 74 -19.651 12.066 5.712 560 1HZ LYS 74 1HZ LYS 74 -18.572 14.072 6.432 561 2HZ LYS 74 2HZ LYS 74 -17.162 13.260 6.697 562 3HZ LYS 74 3HZ LYS 74 -17.767 13.381 5.170 563 H GLU 75 H GLU 75 -17.333 8.689 6.943 564 HA GLU 75 HA GLU 75 -20.100 7.594 7.079 565 1HB GLU 75 1HB GLU 75 -19.983 7.731 4.596 566 2HB GLU 75 2HB GLU 75 -19.773 9.285 5.387 567 1HG GLU 75 1HG GLU 75 -17.359 9.241 5.009 568 2HG GLU 75 2HG GLU 75 -17.453 7.583 4.431 569 H PHE 76 H PHE 76 -19.165 5.967 4.596 570 HA PHE 76 HA PHE 76 -17.954 4.294 3.919 571 1HB PHE 76 1HB PHE 76 -16.198 5.533 5.452 572 2HB PHE 76 2HB PHE 76 -16.298 4.085 6.442 573 HD1 PHE 76 HD1 PHE 76 -16.678 2.309 3.671 574 HD2 PHE 76 HD2 PHE 76 -13.829 5.169 5.203 575 HE1 PHE 76 HE1 PHE 76 -14.940 1.358 2.225 576 HE2 PHE 76 HE2 PHE 76 -12.116 4.269 3.662 577 HZ PHE 76 1HZ PHE 76 -12.650 2.331 2.200 578 H ARG 77 H ARG 77 -19.116 2.483 3.709 579 HA ARG 77 HA ARG 77 -20.155 1.012 6.052 580 1HB ARG 77 1HB ARG 77 -21.670 1.671 4.270 581 2HB ARG 77 2HB ARG 77 -20.718 0.777 3.080 582 1HG ARG 77 1HG ARG 77 -21.712 -0.756 5.468 583 2HG ARG 77 2HG ARG 77 -22.922 -0.199 4.306 584 1HD ARG 77 1HD ARG 77 -21.789 -1.324 2.457 585 2HD ARG 77 2HD ARG 77 -20.474 -1.811 3.520 586 HE ARG 77 HE ARG 77 -21.705 -3.515 4.380 587 1HH1 ARG 77 1HH1 ARG 77 -23.917 -1.397 2.553 588 2HH1 ARG 77 2HH1 ARG 77 -25.235 -2.542 2.627 589 1HH2 ARG 77 1HH2 ARG 77 -23.445 -4.968 4.453 590 2HH2 ARG 77 2HH2 ARG 77 -24.972 -4.559 3.705 591 H VAL 78 H VAL 78 -18.050 0.556 3.194 592 HA VAL 78 HA VAL 78 -16.499 -0.937 2.622 593 HB VAL 78 HB VAL 78 -16.614 -2.131 5.429 594 1HG1 VAL 78 1HG1 VAL 78 -14.533 -2.289 3.209 595 2HG1 VAL 78 2HG1 VAL 78 -14.350 -2.934 4.852 596 3HG1 VAL 78 3HG1 VAL 78 -15.564 -3.623 3.768 597 1HG2 VAL 78 1HG2 VAL 78 -16.002 0.304 5.486 598 2HG2 VAL 78 2HG2 VAL 78 -14.667 -0.767 5.930 599 3HG2 VAL 78 3HG2 VAL 78 -14.704 -0.044 4.316 600 H VAL 79 H VAL 79 -17.771 -1.896 1.063 601 HA VAL 79 HA VAL 79 -19.846 -3.789 1.622 602 HB VAL 79 HB VAL 79 -18.320 -3.185 -0.939 603 1HG1 VAL 79 1HG1 VAL 79 -20.911 -4.735 -0.503 604 2HG1 VAL 79 2HG1 VAL 79 -20.281 -4.213 -2.079 605 3HG1 VAL 79 3HG1 VAL 79 -19.384 -5.397 -1.126 606 1HG2 VAL 79 1HG2 VAL 79 -19.566 -1.248 -0.028 607 2HG2 VAL 79 2HG2 VAL 79 -20.308 -1.855 -1.514 608 3HG2 VAL 79 3HG2 VAL 79 -21.038 -2.235 0.060 609 H GLU 80 H GLU 80 -16.631 -4.287 0.032 610 HA GLU 80 HA GLU 80 -16.172 -6.757 1.499 611 1HB GLU 80 1HB GLU 80 -17.797 -7.511 -0.214 612 2HB GLU 80 2HB GLU 80 -16.799 -6.809 -1.490 613 1HG GLU 80 1HG GLU 80 -16.494 -9.235 -1.349 614 2HG GLU 80 2HG GLU 80 -14.984 -8.409 -0.977 615 H LEU 81 H LEU 81 -14.064 -6.628 1.939 616 HA LEU 81 HA LEU 81 -12.188 -5.188 0.262 617 1HB LEU 81 1HB LEU 81 -10.521 -5.809 1.890 618 2HB LEU 81 2HB LEU 81 -11.979 -5.211 2.670 619 HG LEU 81 HG LEU 81 -12.549 -7.849 2.819 620 1HD1 LEU 81 1HD1 LEU 81 -10.436 -8.592 1.663 621 2HD1 LEU 81 2HD1 LEU 81 -9.491 -7.763 2.910 622 3HD1 LEU 81 3HD1 LEU 81 -10.520 -9.144 3.335 623 1HD2 LEU 81 1HD2 LEU 81 -10.637 -6.358 4.665 624 2HD2 LEU 81 2HD2 LEU 81 -12.413 -6.298 4.717 625 3HD2 LEU 81 3HD2 LEU 81 -11.569 -7.810 5.088 626 H ASP 82 H ASP 82 -10.527 -6.075 -1.024 627 HA ASP 82 HA ASP 82 -11.178 -8.609 -2.274 628 1HB ASP 82 1HB ASP 82 -8.932 -6.621 -2.720 629 2HB ASP 82 2HB ASP 82 -9.140 -8.114 -3.637 630 HA PRO 83 HA PRO 83 -8.599 -10.734 0.777 631 1HB PRO 83 1HB PRO 83 -8.721 -13.290 -0.166 632 2HB PRO 83 2HB PRO 83 -10.118 -12.471 0.590 633 1HG PRO 83 1HG PRO 83 -9.525 -12.731 -2.370 634 2HG PRO 83 2HG PRO 83 -11.056 -13.094 -1.523 635 1HD PRO 83 1HD PRO 83 -10.622 -10.722 -2.775 636 2HD PRO 83 2HD PRO 83 -11.542 -10.792 -1.239 637 H SER 84 H SER 84 -8.070 -11.005 -2.743 638 HA SER 84 HA SER 84 -5.243 -11.728 -2.496 639 1HB SER 84 1HB SER 84 -6.952 -10.882 -4.871 640 2HB SER 84 2HB SER 84 -5.267 -11.445 -4.951 641 HG SER 84 HG SER 84 -5.977 -13.397 -3.987 642 H ALA 85 H ALA 85 -4.841 -9.925 -0.962 643 HA ALA 85 HA ALA 85 -4.799 -7.192 -1.734 644 1HB ALA 85 1HB ALA 85 -4.543 -7.947 0.594 645 2HB ALA 85 2HB ALA 85 -3.004 -8.735 0.189 646 3HB ALA 85 3HB ALA 85 -3.142 -6.975 0.101 647 H LYS 86 H LYS 86 -2.958 -5.915 -2.365 648 HA LYS 86 HA LYS 86 -0.945 -7.339 -4.036 649 1HB LYS 86 1HB LYS 86 -1.407 -5.623 -5.801 650 2HB LYS 86 2HB LYS 86 -2.654 -6.847 -5.556 651 1HG LYS 86 1HG LYS 86 -4.033 -5.291 -4.264 652 2HG LYS 86 2HG LYS 86 -2.813 -4.022 -4.430 653 1HD LYS 86 1HD LYS 86 -4.148 -5.379 -6.804 654 2HD LYS 86 2HD LYS 86 -4.872 -3.992 -5.986 655 1HE LYS 86 1HE LYS 86 -2.099 -3.928 -7.248 656 2HE LYS 86 2HE LYS 86 -3.589 -3.390 -8.033 657 1HZ LYS 86 1HZ LYS 86 -3.900 -1.805 -6.291 658 2HZ LYS 86 2HZ LYS 86 -2.505 -2.277 -5.550 659 3HZ LYS 86 3HZ LYS 86 -2.448 -1.575 -7.039 660 H ILE 87 H ILE 87 1.010 -6.559 -4.013 661 HA ILE 87 HA ILE 87 1.596 -4.009 -2.606 662 HB ILE 87 HB ILE 87 3.080 -6.668 -2.448 663 1HG1 ILE 87 1HG1 ILE 87 2.735 -5.972 0.101 664 2HG1 ILE 87 2HG1 ILE 87 1.337 -5.058 -0.585 665 1HG2 ILE 87 1HG2 ILE 87 3.846 -3.914 -1.395 666 2HG2 ILE 87 2HG2 ILE 87 4.653 -5.435 -0.959 667 3HG2 ILE 87 3HG2 ILE 87 4.714 -4.861 -2.619 668 1HD1 ILE 87 1HD1 ILE 87 1.881 -8.056 -0.808 669 2HD1 ILE 87 2HD1 ILE 87 0.740 -7.284 0.309 670 3HD1 ILE 87 3HD1 ILE 87 0.436 -7.224 -1.429 671 H GLU 88 H GLU 88 2.249 -2.598 -4.103 672 HA GLU 88 HA GLU 88 3.704 -3.530 -6.526 673 1HB GLU 88 1HB GLU 88 2.516 -0.778 -6.015 674 2HB GLU 88 2HB GLU 88 3.146 -1.461 -7.510 675 1HG GLU 88 1HG GLU 88 0.821 -1.574 -7.748 676 2HG GLU 88 2HG GLU 88 1.291 -3.228 -7.340 677 H VAL 89 H VAL 89 5.427 -3.954 -4.717 678 HA VAL 89 HA VAL 89 6.791 -1.691 -3.645 679 HB VAL 89 HB VAL 89 6.914 -3.730 -2.493 680 1HG1 VAL 89 1HG1 VAL 89 6.836 -5.371 -4.415 681 2HG1 VAL 89 2HG1 VAL 89 8.556 -5.014 -4.704 682 3HG1 VAL 89 3HG1 VAL 89 8.043 -5.722 -3.175 683 1HG2 VAL 89 1HG2 VAL 89 8.826 -2.156 -2.362 684 2HG2 VAL 89 2HG2 VAL 89 9.298 -3.840 -2.054 685 3HG2 VAL 89 3HG2 VAL 89 9.676 -3.086 -3.610 686 H THR 90 H THR 90 7.426 -0.187 -5.019 687 HA THR 90 HA THR 90 8.723 -0.771 -7.554 688 HB THR 90 HB THR 90 8.171 1.833 -6.070 689 HG1 THR 90 HG1 THR 90 6.459 1.929 -7.560 690 1HG2 THR 90 1HG2 THR 90 9.017 1.325 -8.960 691 2HG2 THR 90 2HG2 THR 90 8.430 2.877 -8.328 692 H TYR 91 H TYR 91 10.870 -0.191 -8.076 693 HA TYR 91 HA TYR 91 12.745 0.397 -5.882 694 1HB TYR 91 1HB TYR 91 14.238 -1.406 -6.511 695 2HB TYR 91 2HB TYR 91 12.733 -1.952 -5.797 696 HD1 TYR 91 HD1 TYR 91 10.793 -2.587 -7.634 697 HD2 TYR 91 HD2 TYR 91 15.065 -2.947 -8.030 698 HE1 TYR 91 HE1 TYR 91 10.483 -4.233 -9.436 699 HE2 TYR 91 HE2 TYR 91 14.744 -4.769 -9.668 700 HH TYR 91 HH TYR 91 13.235 -5.988 -10.910 701 H TYR 92 H TYR 92 12.255 2.345 -7.050 702 HA TYR 92 HA TYR 92 13.630 2.849 -9.605 703 1HB TYR 92 1HB TYR 92 11.508 3.905 -9.451 704 2HB TYR 92 2HB TYR 92 11.727 4.287 -7.756 705 HD1 TYR 92 HD1 TYR 92 13.572 5.093 -10.963 706 HD2 TYR 92 HD2 TYR 92 11.970 6.519 -7.219 707 HE1 TYR 92 HE1 TYR 92 14.460 7.356 -11.438 708 HE2 TYR 92 HE2 TYR 92 12.835 8.776 -7.708 709 HH TYR 92 HH TYR 92 14.714 9.512 -10.673 710 H ASP 93 H ASP 93 15.728 3.420 -9.606 711 HA ASP 93 HA ASP 93 16.648 5.366 -7.574 712 1HB ASP 93 1HB ASP 93 18.732 4.309 -7.226 713 2HB ASP 93 2HB ASP 93 17.512 3.069 -6.983 714 H LYS 94 H LYS 94 19.169 5.811 -8.568 715 HA LYS 94 HA LYS 94 19.015 6.138 -11.468 716 1HB LYS 94 1HB LYS 94 17.979 8.190 -10.631 717 2HB LYS 94 2HB LYS 94 19.393 8.551 -9.633 718 1HG LYS 94 1HG LYS 94 20.704 9.119 -11.481 719 2HG LYS 94 2HG LYS 94 19.787 8.090 -12.599 720 1HD LYS 94 1HD LYS 94 17.915 9.593 -12.622 721 2HD LYS 94 2HD LYS 94 18.611 10.604 -11.348 722 1HE LYS 94 1HE LYS 94 19.908 10.183 -14.073 723 2HE LYS 94 2HE LYS 94 18.831 11.535 -13.673 724 1HZ LYS 94 1HZ LYS 94 20.346 12.178 -11.957 725 2HZ LYS 94 2HZ LYS 94 21.369 10.942 -12.332 726 3HZ LYS 94 3HZ LYS 94 21.101 12.149 -13.422 727 H ASN 95 H ASN 95 20.353 4.266 -10.649 728 HA ASN 95 HA ASN 95 23.216 5.092 -10.567 729 1HB ASN 95 1HB ASN 95 22.020 2.760 -9.016 730 2HB ASN 95 2HB ASN 95 23.711 3.255 -9.057 731 1HD2 ASN 95 1HD2 ASN 95 21.531 4.612 -6.079 732 2HD2 ASN 95 2HD2 ASN 95 21.299 3.130 -6.978 733 H LYS 96 H LYS 96 20.908 2.368 -11.001 734 HA LYS 96 HA LYS 96 22.175 1.554 -13.519 735 1HB LYS 96 1HB LYS 96 22.786 -0.664 -12.724 736 2HB LYS 96 2HB LYS 96 23.658 0.592 -11.840 737 1HG LYS 96 1HG LYS 96 21.958 0.327 -9.950 738 2HG LYS 96 2HG LYS 96 21.267 -1.028 -10.857 739 1HD LYS 96 1HD LYS 96 22.676 -1.955 -9.221 740 2HD LYS 96 2HD LYS 96 23.482 -2.184 -10.780 741 1HE LYS 96 1HE LYS 96 25.024 -0.334 -10.288 742 2HE LYS 96 2HE LYS 96 24.112 0.077 -8.822 743 1HZ LYS 96 1HZ LYS 96 25.551 -2.432 -9.296 744 2HZ LYS 96 2HZ LYS 96 26.062 -1.191 -8.341 745 3HZ LYS 96 3HZ LYS 96 24.713 -2.046 -7.931 746 H LYS 97 H LYS 97 19.762 0.909 -10.964 747 HA LYS 97 HA LYS 97 18.436 -1.093 -12.535 748 1HB LYS 97 1HB LYS 97 18.707 -1.313 -10.149 749 2HB LYS 97 2HB LYS 97 17.842 0.192 -9.850 750 1HG LYS 97 1HG LYS 97 16.459 -1.753 -9.370 751 2HG LYS 97 2HG LYS 97 15.754 -0.751 -10.628 752 1HD LYS 97 1HD LYS 97 15.446 -3.050 -11.222 753 2HD LYS 97 2HD LYS 97 16.587 -2.357 -12.365 754 1HE LYS 97 1HE LYS 97 18.470 -3.405 -11.153 755 2HE LYS 97 2HE LYS 97 17.348 -4.013 -9.917 756 1HZ LYS 97 1HZ LYS 97 16.284 -5.300 -11.613 757 2HZ LYS 97 2HZ LYS 97 17.321 -4.731 -12.760 758 3HZ LYS 97 3HZ LYS 97 17.889 -5.672 -11.529 759 H LYS 98 H LYS 98 17.296 2.025 -11.155 760 HA LYS 98 HA LYS 98 15.764 3.520 -11.748 761 1HB LYS 98 1HB LYS 98 16.017 2.387 -14.557 762 2HB LYS 98 2HB LYS 98 15.225 3.895 -14.124 763 1HG LYS 98 1HG LYS 98 17.207 4.887 -13.293 764 2HG LYS 98 2HG LYS 98 18.147 3.398 -13.393 765 1HD LYS 98 1HD LYS 98 16.906 4.458 -15.932 766 2HD LYS 98 2HD LYS 98 18.303 5.296 -15.245 767 1HE LYS 98 1HE LYS 98 19.042 3.663 -16.890 768 2HE LYS 98 2HE LYS 98 19.649 3.256 -15.278 769 1HZ LYS 98 1HZ LYS 98 17.327 2.024 -16.585 770 2HZ LYS 98 2HZ LYS 98 18.829 1.355 -16.457 771 3HZ LYS 98 3HZ LYS 98 17.931 1.625 -15.103 772 H GLU 99 H GLU 99 13.435 3.716 -12.969 773 HA GLU 99 HA GLU 99 11.941 2.348 -11.084 774 1HB GLU 99 1HB GLU 99 11.328 4.519 -11.978 775 2HB GLU 99 2HB GLU 99 10.899 3.794 -13.541 776 1HG GLU 99 1HG GLU 99 9.094 2.517 -12.523 777 2HG GLU 99 2HG GLU 99 9.662 2.910 -10.893 778 H GLU 100 H GLU 100 11.556 0.321 -10.935 779 HA GLU 100 HA GLU 100 10.111 -1.114 -13.090 780 1HB GLU 100 1HB GLU 100 12.379 -2.193 -11.354 781 2HB GLU 100 2HB GLU 100 11.257 -3.203 -12.291 782 1HG GLU 100 1HG GLU 100 12.000 -2.115 -14.382 783 2HG GLU 100 2HG GLU 100 13.102 -1.072 -13.467 784 H THR 101 H THR 101 8.301 -2.124 -12.275 785 HA THR 101 HA THR 101 7.720 -1.701 -9.367 786 HB THR 101 1HB THR 101 5.849 -1.607 -11.754 787 HG1 THR 101 HG1 THR 101 7.239 0.186 -11.568 788 1HG2 THR 101 1HG2 THR 101 5.409 -1.054 -8.779 789 2HG2 THR 101 2HG2 THR 101 4.232 -0.741 -10.072 790 H LYS 102 H LYS 102 8.147 -3.639 -8.456 791 HA LYS 102 HA LYS 102 7.366 -6.158 -9.686 792 1HB LYS 102 1HB LYS 102 9.404 -5.897 -8.275 793 2HB LYS 102 2HB LYS 102 8.392 -5.499 -6.904 794 1HG LYS 102 1HG LYS 102 9.103 -7.803 -6.761 795 2HG LYS 102 2HG LYS 102 7.357 -7.738 -6.969 796 1HD LYS 102 1HD LYS 102 8.438 -9.535 -8.291 797 2HD LYS 102 2HD LYS 102 7.527 -8.411 -9.295 798 1HE LYS 102 1HE LYS 102 9.692 -9.068 -10.307 799 2HE LYS 102 2HE LYS 102 9.603 -7.325 -10.045 800 1HZ LYS 102 1HZ LYS 102 10.974 -9.255 -8.307 801 2HZ LYS 102 2HZ LYS 102 11.698 -8.231 -9.378 802 3HZ LYS 102 3HZ LYS 102 10.908 -7.624 -8.065 803 H SER 103 H SER 103 5.174 -6.350 -9.886 804 HA SER 103 HA SER 103 3.337 -5.470 -7.755 805 1HB SER 103 1HB SER 103 2.852 -6.597 -10.535 806 2HB SER 103 2HB SER 103 1.606 -5.992 -9.419 807 HG SER 103 HG SER 103 2.296 -4.408 -10.909 808 H PHE 104 H PHE 104 4.496 -7.166 -6.357 809 HA PHE 104 HA PHE 104 3.838 -9.935 -6.685 810 1HB PHE 104 1HB PHE 104 5.743 -9.245 -5.375 811 2HB PHE 104 2HB PHE 104 4.738 -8.250 -4.326 812 HD1 PHE 104 HD1 PHE 104 5.450 -11.789 -5.320 813 HD2 PHE 104 HD2 PHE 104 3.684 -9.173 -2.382 814 HE1 PHE 104 HE1 PHE 104 4.932 -13.744 -3.884 815 HE2 PHE 104 HE2 PHE 104 3.244 -11.121 -0.917 816 HZ PHE 104 1HZ PHE 104 3.781 -13.418 -1.704 817 HA PRO 105 HA PRO 105 -0.384 -9.377 -5.094 818 1HB PRO 105 1HB PRO 105 -1.306 -11.919 -5.118 819 2HB PRO 105 2HB PRO 105 -0.854 -11.064 -6.606 820 1HG PRO 105 1HG PRO 105 0.923 -12.960 -5.039 821 2HG PRO 105 2HG PRO 105 0.492 -13.045 -6.773 822 1HD PRO 105 1HD PRO 105 2.775 -11.846 -5.923 823 2HD PRO 105 2HD PRO 105 1.844 -11.172 -7.290 824 H ILE 106 H ILE 106 -0.471 -12.360 -3.421 825 HA ILE 106 HA ILE 106 0.975 -11.630 -1.079 826 HB ILE 106 HB ILE 106 -1.031 -10.079 -0.927 827 1HG1 ILE 106 1HG1 ILE 106 -1.607 -10.447 1.350 828 2HG1 ILE 106 2HG1 ILE 106 -0.990 -12.135 1.288 829 1HG2 ILE 106 1HG2 ILE 106 -2.708 -11.586 -1.962 830 2HG2 ILE 106 2HG2 ILE 106 -2.615 -12.662 -0.551 831 3HG2 ILE 106 3HG2 ILE 106 -3.219 -11.021 -0.361 832 1HD1 ILE 106 1HD1 ILE 106 0.727 -9.644 0.817 833 2HD1 ILE 106 2HD1 ILE 106 0.519 -10.393 2.406 834 3HD1 ILE 106 3HD1 ILE 106 1.300 -11.301 1.110 835 H THR 107 H THR 107 0.803 -13.252 0.600 836 HA THR 107 HA THR 107 -0.734 -15.703 -0.022 837 HB THR 107 1HB THR 107 1.187 -17.079 0.782 838 HG1 THR 107 HG1 THR 107 2.298 -15.358 1.808 839 1HG2 THR 107 1HG2 THR 107 0.750 -16.825 -1.658 840 2HG2 THR 107 2HG2 THR 107 1.867 -15.440 -1.701 841 H GLU 108 H GLU 108 -1.339 -16.860 1.808 842 HA GLU 108 HA GLU 108 -2.182 -15.354 3.980 843 1HB GLU 108 1HB GLU 108 -2.999 -17.358 4.922 844 2HB GLU 108 2HB GLU 108 -3.204 -17.453 3.174 845 1HG GLU 108 1HG GLU 108 -1.073 -18.873 4.850 846 2HG GLU 108 2HG GLU 108 -2.505 -19.597 4.130 847 H LYS 109 H LYS 109 0.791 -17.239 3.640 848 HA LYS 109 HA LYS 109 1.860 -16.074 6.141 849 1HB LYS 109 1HB LYS 109 0.884 -18.302 6.674 850 2HB LYS 109 2HB LYS 109 1.934 -19.040 5.455 851 1HG LYS 109 1HG LYS 109 3.934 -18.336 6.756 852 2HG LYS 109 2HG LYS 109 2.898 -17.429 7.868 853 1HD LYS 109 1HD LYS 109 3.557 -19.506 8.901 854 2HD LYS 109 2HD LYS 109 1.812 -19.535 8.596 855 1HE LYS 109 1HE LYS 109 2.163 -20.977 6.619 856 2HE LYS 109 2HE LYS 109 3.924 -20.852 6.822 857 1HZ LYS 109 1HZ LYS 109 3.683 -21.946 8.924 858 2HZ LYS 109 2HZ LYS 109 2.049 -22.050 8.731 859 3HZ LYS 109 3HZ LYS 109 3.052 -22.870 7.712 860 H GLY 110 H GLY 110 2.731 -14.730 4.382 861 1HA GLY 110 1HA GLY 110 4.532 -15.862 2.420 862 2HA GLY 110 2HA GLY 110 4.206 -14.153 2.732 863 H PHE 111 H PHE 111 5.479 -13.027 4.288 864 HA PHE 111 HA PHE 111 7.921 -14.283 5.344 865 1HB PHE 111 1HB PHE 111 9.334 -12.883 3.758 866 2HB PHE 111 2HB PHE 111 8.506 -14.249 3.043 867 HD1 PHE 111 HD1 PHE 111 8.144 -10.516 3.524 868 HD2 PHE 111 HD2 PHE 111 7.146 -13.970 1.137 869 HE1 PHE 111 HE1 PHE 111 7.029 -9.055 1.873 870 HE2 PHE 111 HE2 PHE 111 6.099 -12.496 -0.544 871 HZ PHE 111 1HZ PHE 111 6.001 -10.036 -0.168 872 H VAL 112 H VAL 112 9.496 -12.629 6.021 873 HA VAL 112 HA VAL 112 8.282 -10.281 7.350 874 HB VAL 112 HB VAL 112 11.024 -11.623 7.480 875 1HG1 VAL 112 1HG1 VAL 112 11.210 -9.197 8.000 876 2HG1 VAL 112 2HG1 VAL 112 9.933 -9.392 9.226 877 3HG1 VAL 112 3HG1 VAL 112 11.490 -10.210 9.420 878 1HG2 VAL 112 1HG2 VAL 112 8.709 -11.584 9.471 879 2HG2 VAL 112 2HG2 VAL 112 9.249 -12.991 8.529 880 3HG2 VAL 112 3HG2 VAL 112 10.308 -12.297 9.761 881 H VAL 113 H VAL 113 8.998 -8.146 6.791 882 HA VAL 113 HA VAL 113 9.476 -7.569 4.133 883 HB VAL 113 HB VAL 113 10.122 -5.886 6.574 884 1HG1 VAL 113 1HG1 VAL 113 9.968 -5.106 3.623 885 2HG1 VAL 113 2HG1 VAL 113 10.032 -3.957 4.974 886 3HG1 VAL 113 3HG1 VAL 113 11.411 -5.010 4.653 887 1HG2 VAL 113 1HG2 VAL 113 7.760 -5.902 4.643 888 2HG2 VAL 113 2HG2 VAL 113 7.733 -6.411 6.346 889 3HG2 VAL 113 3HG2 VAL 113 8.019 -4.721 5.942 890 HA PRO 114 HA PRO 114 13.808 -8.887 4.196 891 1HB PRO 114 1HB PRO 114 14.262 -9.132 1.538 892 2HB PRO 114 2HB PRO 114 13.054 -10.159 2.359 893 1HG PRO 114 1HG PRO 114 12.537 -7.572 0.856 894 2HG PRO 114 2HG PRO 114 11.753 -9.160 0.591 895 1HD PRO 114 1HD PRO 114 10.647 -7.233 2.181 896 2HD PRO 114 2HD PRO 114 10.503 -8.973 2.575 897 H ASP 115 H ASP 115 15.867 -8.168 2.888 898 HA ASP 115 HA ASP 115 16.295 -5.300 3.145 899 1HB ASP 115 1HB ASP 115 18.023 -7.513 1.960 900 2HB ASP 115 2HB ASP 115 18.564 -5.871 2.335 901 H LEU 116 H LEU 116 17.653 -4.427 1.072 902 HA LEU 116 HA LEU 116 16.182 -4.965 -1.426 903 1HB LEU 116 1HB LEU 116 15.574 -2.707 -1.792 904 2HB LEU 116 2HB LEU 116 14.815 -3.320 -0.337 905 HG LEU 116 HG LEU 116 17.184 -1.385 -0.367 906 1HD1 LEU 116 1HD1 LEU 116 15.078 -0.438 -1.258 907 2HD1 LEU 116 2HD1 LEU 116 14.235 -0.961 0.217 908 3HD1 LEU 116 3HD1 LEU 116 15.513 0.270 0.307 909 1HD2 LEU 116 1HD2 LEU 116 15.507 -2.501 1.920 910 2HD2 LEU 116 2HD2 LEU 116 17.280 -2.564 1.739 911 3HD2 LEU 116 3HD2 LEU 116 16.484 -1.026 2.040 912 H SER 117 H SER 117 18.405 -5.991 -1.332 913 HA SER 117 HA SER 117 20.404 -6.216 -2.280 914 1HB SER 117 1HB SER 117 19.030 -5.838 -4.242 915 2HB SER 117 2HB SER 117 19.304 -4.094 -4.171 916 HG SER 117 HG SER 117 21.287 -6.107 -4.488 917 H GLU 118 H GLU 118 20.748 -2.931 -3.406 918 HA GLU 118 HA GLU 118 22.443 -1.996 -1.238 919 1HB GLU 118 1HB GLU 118 23.903 -3.693 -2.199 920 2HB GLU 118 2HB GLU 118 23.652 -3.083 -3.833 921 1HG GLU 118 1HG GLU 118 24.907 -1.439 -1.584 922 2HG GLU 118 2HG GLU 118 25.841 -2.485 -2.659 923 H HIS 119 H HIS 119 21.987 -1.828 -4.784 924 HA HIS 119 HA HIS 119 22.604 0.862 -5.132 925 1HB HIS 119 1HB HIS 119 21.488 0.588 -7.333 926 2HB HIS 119 2HB HIS 119 22.628 -0.688 -6.928 927 HD1 HIS 119 HD1 HIS 119 21.669 -3.147 -6.584 928 HD2 HIS 119 HD2 HIS 119 18.824 -0.174 -7.456 929 HE1 HIS 119 HE1 HIS 119 19.482 -4.351 -7.136 930 H ILE 120 H ILE 120 19.367 -0.613 -4.673 931 HA ILE 120 HA ILE 120 18.053 1.955 -4.863 932 HB ILE 120 HB ILE 120 16.978 0.004 -5.779 933 1HG1 ILE 120 1HG1 ILE 120 14.764 0.085 -4.643 934 2HG1 ILE 120 2HG1 ILE 120 15.494 1.046 -3.336 935 1HG2 ILE 120 1HG2 ILE 120 17.854 -1.772 -4.293 936 2HG2 ILE 120 2HG2 ILE 120 16.824 -1.151 -2.982 937 3HG2 ILE 120 3HG2 ILE 120 16.100 -1.834 -4.444 938 1HD1 ILE 120 1HD1 ILE 120 15.478 1.815 -6.278 939 2HD1 ILE 120 2HD1 ILE 120 14.303 2.399 -5.082 940 3HD1 ILE 120 3HD1 ILE 120 16.005 2.847 -4.928 941 H LYS 121 H LYS 121 17.427 3.289 -3.267 942 HA LYS 121 HA LYS 121 16.706 2.293 -0.687 943 1HB LYS 121 1HB LYS 121 18.168 3.680 0.713 944 2HB LYS 121 2HB LYS 121 18.999 2.427 -0.170 945 1HG LYS 121 1HG LYS 121 20.461 4.181 -0.318 946 2HG LYS 121 2HG LYS 121 19.694 4.162 -1.900 947 1HD LYS 121 1HD LYS 121 20.030 6.424 -1.089 948 2HD LYS 121 2HD LYS 121 18.295 6.121 -1.219 949 1HE LYS 121 1HE LYS 121 18.175 5.842 1.245 950 2HE LYS 121 2HE LYS 121 19.944 5.941 1.354 951 1HZ LYS 121 1HZ LYS 121 18.163 8.059 0.403 952 2HZ LYS 121 2HZ LYS 121 18.874 7.996 1.891 953 3HZ LYS 121 3HZ LYS 121 19.802 8.166 0.537 954 H ASN 122 H ASN 122 15.533 3.591 -2.998 955 HA ASN 122 HA ASN 122 13.855 5.382 -1.421 956 1HB ASN 122 1HB ASN 122 13.689 7.110 -3.061 957 2HB ASN 122 2HB ASN 122 15.346 6.972 -2.483 958 1HD2 ASN 122 1HD2 ASN 122 16.575 5.617 -5.669 959 2HD2 ASN 122 2HD2 ASN 122 16.708 5.287 -3.961 960 HA PRO 123 HA PRO 123 12.253 1.974 -4.175 961 1HB PRO 123 1HB PRO 123 10.894 0.435 -2.332 962 2HB PRO 123 2HB PRO 123 12.644 0.330 -2.653 963 1HG PRO 123 1HG PRO 123 11.296 1.892 -0.423 964 2HG PRO 123 2HG PRO 123 12.675 0.776 -0.311 965 1HD PRO 123 1HD PRO 123 13.055 3.431 -0.466 966 2HD PRO 123 2HD PRO 123 14.121 2.289 -1.338 967 H GLY 124 H GLY 124 9.945 2.664 -1.494 968 1HA GLY 124 1HA GLY 124 7.806 3.671 -1.714 969 2HA GLY 124 2HA GLY 124 7.860 3.474 -3.472 970 H PHE 125 H PHE 125 7.757 1.758 -0.360 971 HA PHE 125 HA PHE 125 6.734 -0.761 -1.491 972 1HB PHE 125 1HB PHE 125 7.367 0.293 1.259 973 2HB PHE 125 2HB PHE 125 6.314 -1.105 1.058 974 HD1 PHE 125 HD1 PHE 125 9.670 0.097 -0.194 975 HD2 PHE 125 HD2 PHE 125 7.278 -3.205 1.214 976 HE1 PHE 125 HE1 PHE 125 11.656 -1.393 -0.281 977 HE2 PHE 125 HE2 PHE 125 9.274 -4.667 1.168 978 HZ PHE 125 1HZ PHE 125 11.470 -3.760 0.435 979 H ASN 126 H ASN 126 4.847 -0.247 -2.560 980 HA ASN 126 HA ASN 126 2.734 1.363 -1.307 981 1HB ASN 126 1HB ASN 126 2.918 -0.256 -3.874 982 2HB ASN 126 2HB ASN 126 1.471 0.616 -3.362 983 1HD2 ASN 126 1HD2 ASN 126 4.762 2.777 -4.677 984 2HD2 ASN 126 2HD2 ASN 126 4.986 1.172 -4.016 985 H LEU 127 H LEU 127 1.949 0.265 0.533 986 HA LEU 127 HA LEU 127 0.818 -2.476 0.129 987 1HB LEU 127 1HB LEU 127 0.948 -0.737 2.623 988 2HB LEU 127 2HB LEU 127 0.197 -2.321 2.495 989 HG LEU 127 HG LEU 127 2.244 -2.602 3.584 990 1HD1 LEU 127 1HD1 LEU 127 1.627 -4.331 1.869 991 2HD1 LEU 127 2HD1 LEU 127 2.747 -3.534 0.739 992 3HD1 LEU 127 3HD1 LEU 127 3.364 -4.255 2.229 993 1HD2 LEU 127 1HD2 LEU 127 3.380 -0.522 2.735 994 2HD2 LEU 127 2HD2 LEU 127 4.404 -1.966 2.851 995 3HD2 LEU 127 3HD2 LEU 127 3.819 -1.437 1.272 996 H ILE 128 H ILE 128 -0.136 -0.758 -1.645 997 HA ILE 128 HA ILE 128 -2.752 0.277 -0.702 998 HB ILE 128 HB ILE 128 -1.019 0.737 -3.141 999 1HG1 ILE 128 1HG1 ILE 128 -1.497 3.086 -2.616 1000 2HG1 ILE 128 2HG1 ILE 128 -2.598 2.586 -1.304 1001 1HG2 ILE 128 1HG2 ILE 128 -4.003 1.294 -2.875 1002 2HG2 ILE 128 2HG2 ILE 128 -2.949 2.047 -4.089 1003 3HG2 ILE 128 3HG2 ILE 128 -3.207 0.308 -4.127 1004 1HD1 ILE 128 1HD1 ILE 128 0.416 2.069 -1.358 1005 2HD1 ILE 128 2HD1 ILE 128 -0.377 3.435 -0.542 1006 3HD1 ILE 128 3HD1 ILE 128 -0.691 1.796 0.016 1007 H THR 129 H THR 129 -4.221 -1.288 -0.603 1008 HA THR 129 HA THR 129 -4.057 -3.647 -2.376 1009 HB THR 129 HB THR 129 -5.608 -4.653 -0.804 1010 HG1 THR 129 HG1 THR 129 -5.472 -2.159 0.554 1011 1HG2 THR 129 1HG2 THR 129 -4.160 -4.778 1.110 1012 2HG2 THR 129 2HG2 THR 129 -3.150 -4.669 -0.348 1013 H LYS 130 H LYS 130 -7.168 -3.690 -1.639 1014 HA LYS 130 HA LYS 130 -8.310 -1.716 -3.409 1015 1HB LYS 130 1HB LYS 130 -7.328 -3.321 -5.053 1016 2HB LYS 130 2HB LYS 130 -8.210 -4.643 -4.276 1017 1HG LYS 130 1HG LYS 130 -10.359 -3.529 -4.881 1018 2HG LYS 130 2HG LYS 130 -9.448 -2.220 -5.661 1019 1HD LYS 130 1HD LYS 130 -8.420 -3.839 -7.215 1020 2HD LYS 130 2HD LYS 130 -9.269 -5.176 -6.426 1021 1HE LYS 130 1HE LYS 130 -10.603 -2.848 -7.874 1022 2HE LYS 130 2HE LYS 130 -10.346 -4.468 -8.540 1023 1HZ LYS 130 1HZ LYS 130 -11.708 -5.352 -6.793 1024 2HZ LYS 130 2HZ LYS 130 -11.985 -3.842 -6.190 1025 3HZ LYS 130 3HZ LYS 130 -12.538 -4.245 -7.689 1026 H VAL 131 H VAL 131 -10.414 -1.424 -2.780 1027 HA VAL 131 HA VAL 131 -11.874 -3.604 -1.435 1028 HB VAL 131 HB VAL 131 -12.549 -2.213 0.429 1029 1HG1 VAL 131 1HG1 VAL 131 -10.490 -3.608 0.685 1030 2HG1 VAL 131 2HG1 VAL 131 -9.506 -2.181 0.296 1031 3HG1 VAL 131 3HG1 VAL 131 -10.527 -2.190 1.742 1032 1HG2 VAL 131 1HG2 VAL 131 -10.665 -0.085 -0.677 1033 2HG2 VAL 131 2HG2 VAL 131 -12.428 0.032 -0.500 1034 3HG2 VAL 131 3HG2 VAL 131 -11.408 -0.057 0.935 1035 H VAL 132 H VAL 132 -14.063 -3.525 -1.698 1036 HA VAL 132 HA VAL 132 -15.139 -1.586 -3.644 1037 HB VAL 132 HB VAL 132 -16.429 -4.019 -2.352 1038 1HG1 VAL 132 1HG1 VAL 132 -17.262 -2.275 -4.716 1039 2HG1 VAL 132 2HG1 VAL 132 -18.075 -3.768 -4.200 1040 3HG1 VAL 132 3HG1 VAL 132 -18.088 -2.345 -3.150 1041 1HG2 VAL 132 1HG2 VAL 132 -15.138 -3.648 -5.095 1042 2HG2 VAL 132 2HG2 VAL 132 -14.534 -4.693 -3.791 1043 3HG2 VAL 132 3HG2 VAL 132 -16.069 -5.069 -4.581 1044 H ILE 133 H ILE 133 -16.510 0.044 -3.060 1045 HA ILE 133 HA ILE 133 -16.992 0.472 -0.141 1046 HB ILE 133 HB ILE 133 -16.169 2.452 -2.299 1047 1HG1 ILE 133 1HG1 ILE 133 -14.700 1.064 -0.034 1048 2HG1 ILE 133 2HG1 ILE 133 -14.307 1.115 -1.781 1049 1HG2 ILE 133 1HG2 ILE 133 -17.679 3.514 -0.660 1050 2HG2 ILE 133 2HG2 ILE 133 -16.677 2.901 0.673 1051 3HG2 ILE 133 3HG2 ILE 133 -16.057 4.112 -0.475 1052 1HD1 ILE 133 1HD1 ILE 133 -13.791 3.553 -1.531 1053 2HD1 ILE 133 2HD1 ILE 133 -14.092 3.419 0.221 1054 3HD1 ILE 133 3HD1 ILE 133 -12.767 2.520 -0.499 1055 H GLU 134 H GLU 134 -18.832 1.331 0.511 1056 HA GLU 134 HA GLU 134 -20.814 2.417 -1.418 1057 1HB GLU 134 1HB GLU 134 -21.638 0.211 -0.793 1058 2HB GLU 134 2HB GLU 134 -21.361 0.548 0.920 1059 1HG GLU 134 1HG GLU 134 -23.053 2.446 0.727 1060 2HG GLU 134 2HG GLU 134 -23.373 1.901 -0.925 1061 H LYS 135 H LYS 135 -20.347 4.530 -0.970 1062 HA LYS 135 HA LYS 135 -19.733 5.600 1.593 1063 1HB LYS 135 1HB LYS 135 -20.279 7.783 0.584 1064 2HB LYS 135 2HB LYS 135 -19.162 6.804 -0.375 1065 1HG LYS 135 1HG LYS 135 -21.079 6.156 -1.877 1066 2HG LYS 135 2HG LYS 135 -22.125 7.254 -0.951 1067 1HD LYS 135 1HD LYS 135 -20.670 9.153 -1.540 1068 2HD LYS 135 2HD LYS 135 -19.562 8.059 -2.396 1069 1HE LYS 135 1HE LYS 135 -21.380 7.438 -3.966 1070 2HE LYS 135 2HE LYS 135 -22.481 8.551 -3.127 1071 1HZ LYS 135 1HZ LYS 135 -19.993 9.299 -4.493 1072 2HZ LYS 135 2HZ LYS 135 -21.521 9.529 -5.070 1073 3HZ LYS 135 3HZ LYS 135 -21.018 10.336 -3.722 1074 H LYS 136 H LYS 136 -20.980 6.117 3.289 1075 HA LYS 136 HA LYS 136 -23.944 5.842 3.140 1076 1HB LYS 136 1HB LYS 136 -23.007 3.631 3.344 1077 2HB LYS 136 2HB LYS 136 -21.978 4.088 4.687 1078 1HG LYS 136 1HG LYS 136 -25.018 4.292 4.793 1079 2HG LYS 136 2HG LYS 136 -24.183 2.770 5.083 1080 1HD LYS 136 1HD LYS 136 -23.907 5.267 6.819 1081 2HD LYS 136 2HD LYS 136 -24.816 3.804 7.144 1082 1HE LYS 136 1HE LYS 136 -22.968 3.325 8.361 1083 2HE LYS 136 2HE LYS 136 -22.489 2.574 6.834 1084 1HZ LYS 136 1HZ LYS 136 -21.722 5.245 7.810 1085 2HZ LYS 136 2HZ LYS 136 -20.762 3.906 7.802 1086 3HZ LYS 136 3HZ LYS 136 -21.227 4.594 6.382 No H/Q in entry = 1086 Start of MODEL 13 1 H SER 1 H SER 1 -15.425 9.269 5.714 2 HA SER 1 HA SER 1 -17.861 9.935 4.254 3 1HB SER 1 1HB SER 1 -17.603 10.646 6.588 4 2HB SER 1 2HB SER 1 -16.154 11.579 6.185 5 HG SER 1 HG SER 1 -18.771 11.986 5.164 6 H SER 2 H SER 2 -14.742 11.707 4.597 7 HA SER 2 HA SER 2 -15.130 13.020 2.020 8 1HB SER 2 1HB SER 2 -14.269 14.141 4.097 9 2HB SER 2 2HB SER 2 -12.795 13.159 3.973 10 HG SER 2 HG SER 2 -12.613 15.233 3.006 11 H SER 3 H SER 3 -12.971 13.221 0.675 12 HA SER 3 HA SER 3 -12.083 10.551 -0.175 13 1HB SER 3 1HB SER 3 -10.982 11.801 -1.982 14 2HB SER 3 2HB SER 3 -12.698 12.218 -1.851 15 HG SER 3 HG SER 3 -10.530 13.713 -0.791 16 H PHE 4 H PHE 4 -11.340 10.725 2.354 17 HA PHE 4 HA PHE 4 -9.731 10.758 3.883 18 1HB PHE 4 1HB PHE 4 -7.679 10.826 1.647 19 2HB PHE 4 2HB PHE 4 -7.491 10.174 3.261 20 HD1 PHE 4 HD1 PHE 4 -9.516 8.328 3.823 21 HD2 PHE 4 HD2 PHE 4 -7.889 9.252 -0.050 22 HE1 PHE 4 HE1 PHE 4 -10.437 6.215 2.914 23 HE2 PHE 4 HE2 PHE 4 -8.519 6.986 -0.850 24 HZ PHE 4 1HZ PHE 4 -9.748 5.441 0.652 25 H ASP 5 H ASP 5 -10.768 13.319 2.732 26 HA ASP 5 HA ASP 5 -10.468 15.515 2.698 27 1HB ASP 5 1HB ASP 5 -9.739 15.101 5.081 28 2HB ASP 5 2HB ASP 5 -8.061 15.142 4.536 29 H LYS 6 H LYS 6 -8.849 17.314 2.037 30 HA LYS 6 HA LYS 6 -7.600 18.146 0.369 31 1HB LYS 6 1HB LYS 6 -5.158 17.503 0.612 32 2HB LYS 6 2HB LYS 6 -6.026 18.143 2.002 33 1HG LYS 6 1HG LYS 6 -6.266 15.851 2.946 34 2HG LYS 6 2HG LYS 6 -5.279 15.218 1.616 35 1HD LYS 6 1HD LYS 6 -3.444 16.767 2.375 36 2HD LYS 6 2HD LYS 6 -4.495 17.301 3.700 37 1HE LYS 6 1HE LYS 6 -4.643 14.928 4.503 38 2HE LYS 6 2HE LYS 6 -3.489 14.458 3.240 39 1HZ LYS 6 1HZ LYS 6 -1.922 15.980 4.240 40 2HZ LYS 6 2HZ LYS 6 -3.002 16.355 5.425 41 3HZ LYS 6 3HZ LYS 6 -2.406 14.822 5.311 42 H GLY 7 H GLY 7 -5.543 15.401 -0.288 43 1HA GLY 7 1HA GLY 7 -7.210 14.221 -2.322 44 2HA GLY 7 2HA GLY 7 -5.988 15.308 -3.013 45 H LYS 8 H LYS 8 -4.552 13.882 -3.893 46 HA LYS 8 HA LYS 8 -3.486 11.577 -2.391 47 1HB LYS 8 1HB LYS 8 -2.750 12.676 -5.137 48 2HB LYS 8 2HB LYS 8 -2.233 11.140 -4.414 49 1HG LYS 8 1HG LYS 8 -4.695 10.497 -4.303 50 2HG LYS 8 2HG LYS 8 -5.052 11.944 -5.257 51 1HD LYS 8 1HD LYS 8 -3.532 11.168 -7.043 52 2HD LYS 8 2HD LYS 8 -3.172 9.697 -6.122 53 1HE LYS 8 1HE LYS 8 -5.956 10.495 -7.090 54 2HE LYS 8 2HE LYS 8 -4.871 9.377 -7.936 55 1HZ LYS 8 1HZ LYS 8 -4.903 7.968 -6.021 56 2HZ LYS 8 2HZ LYS 8 -5.927 8.991 -5.232 57 3HZ LYS 8 3HZ LYS 8 -6.430 8.211 -6.593 58 H TYR 9 H TYR 9 -2.812 13.108 -0.653 59 HA TYR 9 HA TYR 9 -1.339 15.405 -1.164 60 1HB TYR 9 1HB TYR 9 -2.705 15.093 0.791 61 2HB TYR 9 2HB TYR 9 -1.698 13.765 1.359 62 HD1 TYR 9 HD1 TYR 9 -1.327 17.385 0.340 63 HD2 TYR 9 HD2 TYR 9 -0.145 14.247 3.051 64 HE1 TYR 9 HE1 TYR 9 0.104 18.987 1.573 65 HE2 TYR 9 HE2 TYR 9 1.240 15.868 4.316 66 HH TYR 9 HH TYR 9 2.014 18.024 4.450 67 H LYS 10 H LYS 10 -0.128 12.404 0.330 68 HA LYS 10 HA LYS 10 1.889 11.407 0.446 69 1HB LYS 10 1HB LYS 10 3.160 13.629 -1.203 70 2HB LYS 10 2HB LYS 10 3.860 12.092 -0.749 71 1HG LYS 10 1HG LYS 10 1.441 12.428 -2.577 72 2HG LYS 10 2HG LYS 10 3.102 12.128 -3.082 73 1HD LYS 10 1HD LYS 10 3.074 9.983 -1.755 74 2HD LYS 10 2HD LYS 10 1.341 10.232 -1.464 75 1HE LYS 10 1HE LYS 10 2.661 10.014 -4.207 76 2HE LYS 10 2HE LYS 10 1.805 8.710 -3.372 77 1HZ LYS 10 1HZ LYS 10 -0.168 10.052 -3.416 78 2HZ LYS 10 2HZ LYS 10 0.622 11.258 -4.218 79 3HZ LYS 10 3HZ LYS 10 0.402 9.792 -4.940 80 H LYS 11 H LYS 11 2.465 11.471 2.500 81 HA LYS 11 HA LYS 11 1.988 13.599 4.135 82 1HB LYS 11 1HB LYS 11 2.199 11.153 4.735 83 2HB LYS 11 2HB LYS 11 3.950 11.386 4.807 84 1HG LYS 11 1HG LYS 11 3.466 13.293 6.499 85 2HG LYS 11 2HG LYS 11 1.779 12.765 6.445 86 1HD LYS 11 1HD LYS 11 2.636 11.687 8.339 87 2HD LYS 11 2HD LYS 11 2.673 10.418 7.100 88 1HE LYS 11 1HE LYS 11 5.108 10.957 6.721 89 2HE LYS 11 2HE LYS 11 5.011 12.177 8.001 90 1HZ LYS 11 1HZ LYS 11 4.433 10.426 9.520 91 2HZ LYS 11 2HZ LYS 11 4.549 9.300 8.321 92 3HZ LYS 11 3HZ LYS 11 5.888 10.133 8.803 93 H GLY 12 H GLY 12 5.301 12.408 3.377 94 1HA GLY 12 1HA GLY 12 6.798 14.291 2.508 95 2HA GLY 12 2HA GLY 12 6.460 15.079 4.059 96 H ASP 13 H ASP 13 7.830 12.154 2.560 97 HA ASP 13 HA ASP 13 9.666 11.817 4.901 98 1HB ASP 13 1HB ASP 13 8.317 9.612 3.287 99 2HB ASP 13 2HB ASP 13 9.485 9.387 4.603 100 H ASP 14 H ASP 14 10.189 13.430 2.680 101 HA ASP 14 HA ASP 14 11.586 13.820 0.977 102 1HB ASP 14 1HB ASP 14 13.128 13.418 2.886 103 2HB ASP 14 2HB ASP 14 13.289 11.727 2.409 104 H ALA 15 H ALA 15 9.669 12.578 -0.042 105 HA ALA 15 HA ALA 15 10.394 9.918 -1.195 106 1HB ALA 15 1HB ALA 15 7.867 11.026 0.084 107 2HB ALA 15 2HB ALA 15 7.999 9.399 -0.602 108 3HB ALA 15 3HB ALA 15 8.974 9.843 0.802 109 H SER 16 H SER 16 8.192 9.381 -2.586 110 HA SER 16 HA SER 16 7.088 9.580 -4.504 111 1HB SER 16 1HB SER 16 7.076 12.573 -3.921 112 2HB SER 16 2HB SER 16 6.023 11.702 -5.049 113 HG SER 16 HG SER 16 6.205 11.270 -2.252 114 H TYR 17 H TYR 17 9.182 8.793 -5.335 115 HA TYR 17 HA TYR 17 10.710 8.647 -6.900 116 1HB TYR 17 1HB TYR 17 8.619 9.389 -8.185 117 2HB TYR 17 2HB TYR 17 9.430 10.927 -8.431 118 HD1 TYR 17 HD1 TYR 17 12.204 8.855 -8.627 119 HD2 TYR 17 HD2 TYR 17 8.472 9.526 -10.700 120 HE1 TYR 17 HE1 TYR 17 13.118 7.765 -10.622 121 HE2 TYR 17 HE2 TYR 17 9.417 8.444 -12.715 122 HH TYR 17 HH TYR 17 11.219 7.338 -13.630 123 H PHE 18 H PHE 18 11.648 11.115 -8.563 124 HA PHE 18 HA PHE 18 13.332 12.559 -8.555 125 1HB PHE 18 1HB PHE 18 11.654 13.922 -7.448 126 2HB PHE 18 2HB PHE 18 12.159 13.350 -5.865 127 HD1 PHE 18 HD1 PHE 18 13.455 15.138 -8.913 128 HD2 PHE 18 HD2 PHE 18 13.781 14.576 -4.648 129 HE1 PHE 18 HE1 PHE 18 15.106 16.987 -8.788 130 HE2 PHE 18 HE2 PHE 18 15.469 16.384 -4.541 131 HZ PHE 18 1HZ PHE 18 16.137 17.592 -6.608 132 H GLU 19 H GLU 19 14.729 10.632 -8.482 133 HA GLU 19 HA GLU 19 16.717 9.784 -8.030 134 1HB GLU 19 1HB GLU 19 16.970 12.417 -6.492 135 2HB GLU 19 2HB GLU 19 18.300 11.304 -6.650 136 1HG GLU 19 1HG GLU 19 18.685 12.753 -8.379 137 2HG GLU 19 2HG GLU 19 17.940 11.382 -9.198 138 HA PRO 20 HA PRO 20 17.025 7.477 -4.201 139 1HB PRO 20 1HB PRO 20 19.935 8.240 -4.014 140 2HB PRO 20 2HB PRO 20 19.180 6.627 -3.891 141 1HG PRO 20 1HG PRO 20 20.462 7.404 -6.156 142 2HG PRO 20 2HG PRO 20 18.933 6.483 -6.238 143 1HD PRO 20 1HD PRO 20 19.371 9.445 -6.531 144 2HD PRO 20 2HD PRO 20 18.362 8.362 -7.535 145 H THR 21 H THR 21 16.044 8.403 -2.439 146 HA THR 21 HA THR 21 17.262 10.761 -1.102 147 HB THR 21 HB THR 21 14.910 11.751 -1.076 148 HG1 THR 21 HG1 THR 21 14.612 10.074 -3.326 149 1HG2 THR 21 1HG2 THR 21 16.769 12.735 -2.351 150 2HG2 THR 21 2HG2 THR 21 16.364 11.704 -3.741 151 H GLY 22 H GLY 22 14.119 8.983 -0.809 152 1HA GLY 22 1HA GLY 22 14.834 8.105 1.905 153 2HA GLY 22 2HA GLY 22 13.713 9.453 1.806 154 HA PRO 23 HA PRO 23 11.743 5.419 -0.045 155 1HB PRO 23 1HB PRO 23 11.974 3.202 1.543 156 2HB PRO 23 2HB PRO 23 13.226 3.725 0.398 157 1HG PRO 23 1HG PRO 23 13.132 4.297 3.367 158 2HG PRO 23 2HG PRO 23 14.496 3.632 2.424 159 1HD PRO 23 1HD PRO 23 14.248 6.273 3.062 160 2HD PRO 23 2HD PRO 23 14.977 5.760 1.513 161 H TYR 24 H TYR 24 9.851 3.961 0.742 162 HA TYR 24 HA TYR 24 8.426 4.993 3.074 163 1HB TYR 24 1HB TYR 24 6.519 5.818 1.592 164 2HB TYR 24 2HB TYR 24 7.970 6.799 1.621 165 HD1 TYR 24 HD1 TYR 24 6.278 4.109 -0.409 166 HD2 TYR 24 HD2 TYR 24 9.098 7.365 -0.383 167 HE1 TYR 24 HE1 TYR 24 6.337 4.089 -2.891 168 HE2 TYR 24 HE2 TYR 24 9.023 7.448 -2.856 169 HH TYR 24 HH TYR 24 8.298 6.419 -4.776 170 H LEU 25 H LEU 25 6.198 4.197 3.198 171 HA LEU 25 HA LEU 25 5.798 1.444 2.154 172 1HB LEU 25 1HB LEU 25 7.015 1.353 4.301 173 2HB LEU 25 2HB LEU 25 5.790 2.367 5.055 174 HG LEU 25 HG LEU 25 4.099 0.504 4.577 175 1HD1 LEU 25 1HD1 LEU 25 6.654 -0.995 3.833 176 2HD1 LEU 25 2HD1 LEU 25 5.099 -1.767 4.192 177 3HD1 LEU 25 3HD1 LEU 25 5.241 -0.693 2.794 178 1HD2 LEU 25 1HD2 LEU 25 5.131 0.838 6.789 179 2HD2 LEU 25 2HD2 LEU 25 4.880 -0.882 6.449 180 3HD2 LEU 25 3HD2 LEU 25 6.507 -0.179 6.312 181 H MET 26 H MET 26 4.171 2.587 0.803 182 HA MET 26 HA MET 26 2.224 4.299 2.034 183 1HB MET 26 1HB MET 26 2.135 3.044 -0.735 184 2HB MET 26 2HB MET 26 1.168 4.388 -0.120 185 1HG MET 26 1HG MET 26 3.631 5.373 0.401 186 2HG MET 26 2HG MET 26 4.036 4.321 -0.939 187 1HE MET 26 1HE MET 26 1.351 4.487 -2.732 188 2HE MET 26 2HE MET 26 1.768 5.829 -3.819 189 3HE MET 26 3HE MET 26 2.988 4.603 -3.425 190 H VAL 27 H VAL 27 0.958 3.409 3.565 191 HA VAL 27 HA VAL 27 -0.471 0.869 3.147 192 HB VAL 27 HB VAL 27 -0.648 2.883 5.419 193 1HG1 VAL 27 1HG1 VAL 27 -1.436 -0.061 5.238 194 2HG1 VAL 27 2HG1 VAL 27 -1.547 0.955 6.689 195 3HG1 VAL 27 3HG1 VAL 27 -2.560 1.314 5.285 196 1HG2 VAL 27 1HG2 VAL 27 1.083 0.388 5.169 197 2HG2 VAL 27 2HG2 VAL 27 1.658 2.061 5.297 198 3HG2 VAL 27 3HG2 VAL 27 0.823 1.329 6.658 199 H ASN 28 H ASN 28 -1.468 1.644 1.162 200 HA ASN 28 HA ASN 28 -3.937 3.237 1.548 201 1HB ASN 28 1HB ASN 28 -1.721 3.865 -0.454 202 2HB ASN 28 2HB ASN 28 -3.336 4.599 -0.426 203 1HD2 ASN 28 1HD2 ASN 28 -2.718 6.753 2.347 204 2HD2 ASN 28 2HD2 ASN 28 -3.961 5.864 1.495 205 H VAL 29 H VAL 29 -5.501 2.844 -0.043 206 HA VAL 29 HA VAL 29 -5.029 0.572 -1.905 207 HB VAL 29 HB VAL 29 -7.114 -0.468 -1.008 208 1HG1 VAL 29 1HG1 VAL 29 -4.825 -1.231 -0.365 209 2HG1 VAL 29 2HG1 VAL 29 -4.921 -0.200 1.078 210 3HG1 VAL 29 3HG1 VAL 29 -6.059 -1.544 0.864 211 1HG2 VAL 29 1HG2 VAL 29 -8.142 1.457 0.140 212 2HG2 VAL 29 2HG2 VAL 29 -7.902 0.094 1.241 213 3HG2 VAL 29 3HG2 VAL 29 -6.809 1.483 1.315 214 H THR 30 H THR 30 -6.345 0.454 -3.657 215 HA THR 30 HA THR 30 -7.477 2.896 -4.621 216 HB THR 30 1HB THR 30 -7.740 0.120 -5.818 217 HG1 THR 30 HG1 THR 30 -5.578 0.599 -5.402 218 1HG2 THR 30 1HG2 THR 30 -7.921 1.323 -7.923 219 2HG2 THR 30 2HG2 THR 30 -9.131 2.006 -6.818 220 H GLY 31 H GLY 31 -9.329 3.654 -3.715 221 1HA GLY 31 1HA GLY 31 -11.322 1.871 -2.531 222 2HA GLY 31 2HA GLY 31 -11.222 3.635 -2.452 223 H VAL 32 H VAL 32 -12.115 0.916 -4.585 224 HA VAL 32 HA VAL 32 -13.429 2.673 -6.512 225 HB VAL 32 HB VAL 32 -13.736 0.725 -7.843 226 1HG1 VAL 32 1HG1 VAL 32 -11.488 1.744 -7.842 227 2HG1 VAL 32 2HG1 VAL 32 -10.983 0.651 -6.532 228 3HG1 VAL 32 3HG1 VAL 32 -11.387 -0.009 -8.107 229 1HG2 VAL 32 1HG2 VAL 32 -14.330 -0.908 -5.986 230 2HG2 VAL 32 2HG2 VAL 32 -13.227 -1.504 -7.220 231 3HG2 VAL 32 3HG2 VAL 32 -12.590 -1.024 -5.640 232 H ASP 33 H ASP 33 -15.597 1.967 -7.386 233 HA ASP 33 HA ASP 33 -17.586 1.896 -5.256 234 1HB ASP 33 1HB ASP 33 -19.187 2.248 -6.941 235 2HB ASP 33 2HB ASP 33 -17.814 3.274 -7.358 236 H SER 34 H SER 34 -16.394 -0.209 -7.822 237 HA SER 34 HA SER 34 -16.805 -2.750 -6.794 238 1HB SER 34 1HB SER 34 -19.223 -2.381 -6.723 239 2HB SER 34 2HB SER 34 -19.219 -1.708 -8.365 240 HG SER 34 HG SER 34 -18.574 -3.763 -9.096 241 H LYS 35 H LYS 35 -17.630 -0.918 -9.777 242 HA LYS 35 HA LYS 35 -15.913 -2.690 -11.416 243 1HB LYS 35 1HB LYS 35 -17.122 -1.764 -13.302 244 2HB LYS 35 2HB LYS 35 -18.203 -2.494 -12.125 245 1HG LYS 35 1HG LYS 35 -18.993 -0.434 -11.316 246 2HG LYS 35 2HG LYS 35 -17.724 0.519 -12.084 247 1HD LYS 35 1HD LYS 35 -19.579 -1.123 -13.820 248 2HD LYS 35 2HD LYS 35 -20.171 0.370 -13.084 249 1HE LYS 35 1HE LYS 35 -19.365 0.811 -15.335 250 2HE LYS 35 2HE LYS 35 -18.404 1.688 -14.137 251 1HZ LYS 35 1HZ LYS 35 -17.617 -0.815 -15.444 252 2HZ LYS 35 2HZ LYS 35 -17.064 0.691 -15.826 253 3HZ LYS 35 3HZ LYS 35 -16.716 0.035 -14.355 254 H GLY 36 H GLY 36 -14.461 -0.958 -9.743 255 1HA GLY 36 1HA GLY 36 -12.491 0.118 -10.003 256 2HA GLY 36 2HA GLY 36 -12.668 -0.075 -11.739 257 H ASN 37 H ASN 37 -14.964 1.794 -9.706 258 HA ASN 37 HA ASN 37 -14.071 4.312 -11.066 259 1HB ASN 37 1HB ASN 37 -16.674 3.838 -9.592 260 2HB ASN 37 2HB ASN 37 -16.210 5.220 -10.570 261 1HD2 ASN 37 1HD2 ASN 37 -18.514 2.938 -12.497 262 2HD2 ASN 37 2HD2 ASN 37 -18.587 3.704 -10.927 263 H GLU 38 H GLU 38 -12.282 4.726 -9.740 264 HA GLU 38 HA GLU 38 -12.237 4.552 -6.925 265 1HB GLU 38 1HB GLU 38 -10.260 4.639 -8.420 266 2HB GLU 38 2HB GLU 38 -10.595 6.351 -8.733 267 1HG GLU 38 1HG GLU 38 -10.428 6.727 -6.211 268 2HG GLU 38 2HG GLU 38 -9.911 5.045 -6.056 269 H LEU 39 H LEU 39 -13.617 5.636 -5.605 270 HA LEU 39 HA LEU 39 -14.798 8.204 -6.322 271 1HB LEU 39 1HB LEU 39 -14.918 6.642 -3.702 272 2HB LEU 39 2HB LEU 39 -15.842 8.078 -4.131 273 HG LEU 39 HG LEU 39 -16.510 6.472 -6.241 274 1HD1 LEU 39 1HD1 LEU 39 -16.175 4.621 -3.823 275 2HD1 LEU 39 2HD1 LEU 39 -17.009 4.225 -5.334 276 3HD1 LEU 39 3HD1 LEU 39 -15.263 4.506 -5.339 277 1HD2 LEU 39 1HD2 LEU 39 -17.831 6.517 -3.493 278 2HD2 LEU 39 2HD2 LEU 39 -18.077 7.702 -4.795 279 3HD2 LEU 39 3HD2 LEU 39 -18.611 6.027 -5.013 280 H LEU 40 H LEU 40 -12.584 6.991 -3.781 281 HA LEU 40 HA LEU 40 -12.169 9.670 -2.718 282 1HB LEU 40 1HB LEU 40 -10.911 7.063 -1.835 283 2HB LEU 40 2HB LEU 40 -11.146 8.537 -0.883 284 HG LEU 40 HG LEU 40 -13.266 6.566 -1.847 285 1HD1 LEU 40 1HD1 LEU 40 -12.028 5.857 0.117 286 2HD1 LEU 40 2HD1 LEU 40 -12.379 7.400 0.935 287 3HD1 LEU 40 3HD1 LEU 40 -13.692 6.266 0.554 288 1HD2 LEU 40 1HD2 LEU 40 -14.235 8.882 -1.983 289 2HD2 LEU 40 2HD2 LEU 40 -14.967 7.892 -0.721 290 3HD2 LEU 40 3HD2 LEU 40 -13.786 9.130 -0.283 291 H SER 41 H SER 41 -9.534 9.634 -1.827 292 HA SER 41 HA SER 41 -7.953 9.804 -4.385 293 1HB SER 41 1HB SER 41 -8.082 11.798 -2.108 294 2HB SER 41 2HB SER 41 -7.027 11.880 -3.537 295 HG SER 41 HG SER 41 -8.939 13.098 -3.780 296 HA PRO 42 HA PRO 42 -5.825 7.323 -1.056 297 1HB PRO 42 1HB PRO 42 -5.197 5.065 -2.465 298 2HB PRO 42 2HB PRO 42 -6.789 5.379 -1.716 299 1HG PRO 42 1HG PRO 42 -5.983 5.915 -4.591 300 2HG PRO 42 2HG PRO 42 -7.412 5.001 -4.007 301 1HD PRO 42 1HD PRO 42 -7.659 7.583 -4.680 302 2HD PRO 42 2HD PRO 42 -8.476 6.946 -3.230 303 H HIS 43 H HIS 43 -3.624 6.533 -0.916 304 HA HIS 43 HA HIS 43 -1.377 6.646 -1.148 305 1HB HIS 43 1HB HIS 43 -1.646 8.093 -3.812 306 2HB HIS 43 2HB HIS 43 -0.207 7.441 -3.058 307 HD1 HIS 43 HD1 HIS 43 -0.456 6.393 -5.767 308 HD2 HIS 43 HD2 HIS 43 -2.554 4.677 -2.552 309 HE1 HIS 43 HE1 HIS 43 -1.044 4.002 -6.451 310 H TYR 44 H TYR 44 -1.733 7.955 0.736 311 HA TYR 44 HA TYR 44 -0.938 10.743 0.351 312 1HB TYR 44 1HB TYR 44 -2.754 11.619 1.770 313 2HB TYR 44 2HB TYR 44 -3.288 11.009 0.211 314 HD1 TYR 44 HD1 TYR 44 -4.517 8.867 0.033 315 HD2 TYR 44 HD2 TYR 44 -3.579 10.630 3.837 316 HE1 TYR 44 HE1 TYR 44 -5.935 7.162 1.175 317 HE2 TYR 44 HE2 TYR 44 -4.971 8.909 4.973 318 HH TYR 44 HH TYR 44 -6.753 6.395 3.149 319 H VAL 45 H VAL 45 -1.824 8.251 2.818 320 HA VAL 45 HA VAL 45 0.256 9.336 4.639 321 HB VAL 45 HB VAL 45 -0.358 7.365 6.043 322 1HG1 VAL 45 1HG1 VAL 45 -1.060 9.610 6.581 323 2HG1 VAL 45 2HG1 VAL 45 -2.471 9.464 5.518 324 3HG1 VAL 45 3HG1 VAL 45 -2.346 8.456 6.972 325 1HG2 VAL 45 1HG2 VAL 45 -1.582 5.974 4.332 326 2HG2 VAL 45 2HG2 VAL 45 -2.513 6.301 5.795 327 3HG2 VAL 45 3HG2 VAL 45 -2.858 7.203 4.317 328 H GLU 46 H GLU 46 1.927 9.137 3.022 329 HA GLU 46 HA GLU 46 2.519 6.593 1.909 330 1HB GLU 46 1HB GLU 46 4.383 7.600 0.862 331 2HB GLU 46 2HB GLU 46 3.016 8.724 0.811 332 1HG GLU 46 1HG GLU 46 4.049 9.902 2.819 333 2HG GLU 46 2HG GLU 46 5.464 8.845 2.617 334 H PHE 47 H PHE 47 3.785 8.343 4.726 335 HA PHE 47 HA PHE 47 4.920 7.768 6.512 336 1HB PHE 47 1HB PHE 47 4.312 4.891 5.698 337 2HB PHE 47 2HB PHE 47 4.971 5.363 7.240 338 HD1 PHE 47 HD1 PHE 47 3.601 7.351 8.476 339 HD2 PHE 47 HD2 PHE 47 1.999 4.418 5.749 340 HE1 PHE 47 HE1 PHE 47 1.401 7.503 9.601 341 HE2 PHE 47 HE2 PHE 47 -0.181 4.528 6.933 342 HZ PHE 47 1HZ PHE 47 -0.484 6.065 8.852 343 HA PRO 48 HA PRO 48 9.124 6.441 5.347 344 1HB PRO 48 1HB PRO 48 10.366 6.451 7.739 345 2HB PRO 48 2HB PRO 48 9.790 7.970 6.994 346 1HG PRO 48 1HG PRO 48 8.443 6.347 9.162 347 2HG PRO 48 2HG PRO 48 8.689 8.112 9.095 348 1HD PRO 48 1HD PRO 48 6.350 6.827 8.322 349 2HD PRO 48 2HD PRO 48 6.874 8.397 7.665 350 H ILE 49 H ILE 49 9.837 4.335 5.011 351 HA ILE 49 HA ILE 49 8.344 2.157 6.127 352 HB ILE 49 HB ILE 49 9.256 2.137 3.858 353 1HG1 ILE 49 1HG1 ILE 49 10.520 -0.149 5.429 354 2HG1 ILE 49 2HG1 ILE 49 8.754 0.039 5.259 355 1HG2 ILE 49 1HG2 ILE 49 11.431 3.247 4.329 356 2HG2 ILE 49 2HG2 ILE 49 12.008 1.770 5.125 357 3HG2 ILE 49 3HG2 ILE 49 11.621 1.759 3.398 358 1HD1 ILE 49 1HD1 ILE 49 9.015 -0.005 2.784 359 2HD1 ILE 49 2HD1 ILE 49 10.760 -0.304 2.973 360 3HD1 ILE 49 3HD1 ILE 49 9.587 -1.492 3.567 361 H LYS 50 H LYS 50 8.995 0.494 7.479 362 HA LYS 50 HA LYS 50 11.538 0.754 8.966 363 1HB LYS 50 1HB LYS 50 9.799 1.784 10.310 364 2HB LYS 50 2HB LYS 50 8.824 0.314 10.275 365 1HG LYS 50 1HG LYS 50 11.696 0.206 11.261 366 2HG LYS 50 2HG LYS 50 10.447 0.905 12.296 367 1HD LYS 50 1HD LYS 50 9.141 -1.150 12.261 368 2HD LYS 50 2HD LYS 50 10.299 -1.917 11.164 369 1HE LYS 50 1HE LYS 50 12.092 -1.660 12.849 370 2HE LYS 50 2HE LYS 50 10.921 -0.933 13.971 371 1HZ LYS 50 1HZ LYS 50 10.773 -3.640 12.844 372 2HZ LYS 50 2HZ LYS 50 11.236 -3.256 14.380 373 3HZ LYS 50 3HZ LYS 50 9.687 -2.973 13.891 374 HA PRO 51 HA PRO 51 10.966 -3.475 7.324 375 1HB PRO 51 1HB PRO 51 13.556 -4.257 7.156 376 2HB PRO 51 2HB PRO 51 12.872 -3.031 6.047 377 1HG PRO 51 1HG PRO 51 14.451 -2.542 8.587 378 2HG PRO 51 2HG PRO 51 14.741 -1.838 6.970 379 1HD PRO 51 1HD PRO 51 13.329 -0.541 8.912 380 2HD PRO 51 2HD PRO 51 12.886 -0.379 7.183 381 H GLY 52 H GLY 52 11.415 -5.658 8.146 382 1HA GLY 52 1HA GLY 52 11.671 -7.229 9.826 383 2HA GLY 52 2HA GLY 52 12.273 -5.993 10.934 384 H THR 53 H THR 53 9.283 -6.709 9.062 385 HA THR 53 HA THR 53 7.642 -6.727 11.475 386 HB THR 53 HB THR 53 7.699 -4.332 10.956 387 HG1 THR 53 HG1 THR 53 5.450 -4.091 10.763 388 1HG2 THR 53 1HG2 THR 53 6.772 -3.411 8.899 389 2HG2 THR 53 2HG2 THR 53 8.154 -4.441 8.497 390 H THR 54 H THR 54 5.758 -7.916 11.205 391 HA THR 54 HA THR 54 5.871 -9.945 9.258 392 HB THR 54 HB THR 54 3.546 -9.118 11.032 393 HG1 THR 54 HG1 THR 54 5.688 -10.931 11.433 394 1HG2 THR 54 1HG2 THR 54 2.905 -11.512 10.866 395 2HG2 THR 54 2HG2 THR 54 2.861 -10.740 9.274 396 H LEU 55 H LEU 55 5.287 -9.958 7.193 397 HA LEU 55 HA LEU 55 3.326 -7.966 6.160 398 1HB LEU 55 1HB LEU 55 5.899 -7.684 5.788 399 2HB LEU 55 2HB LEU 55 5.733 -8.957 4.606 400 HG LEU 55 HG LEU 55 5.647 -6.853 3.495 401 1HD1 LEU 55 1HD1 LEU 55 4.019 -8.472 2.609 402 2HD1 LEU 55 2HD1 LEU 55 2.754 -7.792 3.664 403 3HD1 LEU 55 3HD1 LEU 55 3.479 -6.798 2.393 404 1HD2 LEU 55 1HD2 LEU 55 5.078 -5.468 5.489 405 2HD2 LEU 55 2HD2 LEU 55 4.204 -5.011 4.019 406 3HD2 LEU 55 3HD2 LEU 55 3.370 -5.920 5.287 407 H THR 56 H THR 56 1.789 -9.616 6.572 408 HA THR 56 HA THR 56 1.677 -11.796 4.526 409 HB THR 56 HB THR 56 0.149 -12.903 6.126 410 HG1 THR 56 HG1 THR 56 0.029 -12.054 8.232 411 1HG2 THR 56 1HG2 THR 56 2.568 -13.446 6.182 412 2HG2 THR 56 2HG2 THR 56 2.827 -12.194 7.404 413 H LYS 57 H LYS 57 -0.673 -12.353 4.041 414 HA LYS 57 HA LYS 57 -1.993 -10.211 2.791 415 1HB LYS 57 1HB LYS 57 -2.157 -12.588 2.190 416 2HB LYS 57 2HB LYS 57 -3.087 -12.926 3.639 417 1HG LYS 57 1HG LYS 57 -4.021 -10.851 1.628 418 2HG LYS 57 2HG LYS 57 -4.258 -12.571 1.320 419 1HD LYS 57 1HD LYS 57 -5.416 -11.086 3.717 420 2HD LYS 57 2HD LYS 57 -6.259 -11.540 2.241 421 1HE LYS 57 1HE LYS 57 -5.708 -13.959 2.740 422 2HE LYS 57 2HE LYS 57 -5.105 -13.432 4.326 423 1HZ LYS 57 1HZ LYS 57 -7.815 -13.011 3.324 424 2HZ LYS 57 2HZ LYS 57 -7.348 -14.145 4.430 425 3HZ LYS 57 3HZ LYS 57 -7.237 -12.541 4.795 426 H GLU 58 H GLU 58 -2.764 -11.906 5.870 427 HA GLU 58 HA GLU 58 -5.021 -10.298 6.470 428 1HB GLU 58 1HB GLU 58 -4.991 -11.353 8.667 429 2HB GLU 58 2HB GLU 58 -4.861 -12.468 7.318 430 1HG GLU 58 1HG GLU 58 -3.425 -13.345 8.902 431 2HG GLU 58 2HG GLU 58 -2.353 -12.606 7.719 432 H LYS 59 H LYS 59 -1.587 -9.725 7.083 433 HA LYS 59 HA LYS 59 -2.071 -7.476 8.869 434 1HB LYS 59 1HB LYS 59 0.345 -8.487 7.351 435 2HB LYS 59 2HB LYS 59 0.406 -7.004 8.295 436 1HG LYS 59 1HG LYS 59 -0.428 -9.651 9.505 437 2HG LYS 59 2HG LYS 59 1.243 -9.078 9.448 438 1HD LYS 59 1HD LYS 59 0.630 -7.039 10.690 439 2HD LYS 59 2HD LYS 59 -1.042 -7.598 10.822 440 1HE LYS 59 1HE LYS 59 1.400 -9.018 11.966 441 2HE LYS 59 2HE LYS 59 0.244 -8.029 12.873 442 1HZ LYS 59 1HZ LYS 59 -1.464 -9.586 12.269 443 2HZ LYS 59 2HZ LYS 59 -0.376 -10.520 11.453 444 3HZ LYS 59 3HZ LYS 59 -0.240 -10.334 13.085 445 H ILE 60 H ILE 60 -2.950 -7.759 5.681 446 HA ILE 60 HA ILE 60 -2.488 -4.860 5.158 447 HB ILE 60 HB ILE 60 -3.670 -6.894 3.252 448 1HG1 ILE 60 1HG1 ILE 60 -1.441 -7.666 3.574 449 2HG1 ILE 60 2HG1 ILE 60 -1.537 -6.811 2.018 450 1HG2 ILE 60 1HG2 ILE 60 -2.627 -4.057 2.911 451 2HG2 ILE 60 2HG2 ILE 60 -3.101 -5.123 1.583 452 3HG2 ILE 60 3HG2 ILE 60 -4.304 -4.609 2.765 453 1HD1 ILE 60 1HD1 ILE 60 -0.457 -4.824 3.071 454 2HD1 ILE 60 2HD1 ILE 60 -0.310 -5.714 4.601 455 3HD1 ILE 60 3HD1 ILE 60 0.552 -6.277 3.164 456 H GLU 61 H GLU 61 -5.001 -7.412 5.324 457 HA GLU 61 HA GLU 61 -7.201 -6.135 4.513 458 1HB GLU 61 1HB GLU 61 -7.019 -8.071 6.858 459 2HB GLU 61 2HB GLU 61 -8.523 -7.608 6.040 460 1HG GLU 61 1HG GLU 61 -7.563 -8.438 3.883 461 2HG GLU 61 2HG GLU 61 -6.156 -9.030 4.765 462 H TYR 62 H TYR 62 -6.519 -6.261 8.048 463 HA TYR 62 HA TYR 62 -8.460 -4.135 8.556 464 1HB TYR 62 1HB TYR 62 -7.844 -4.534 10.912 465 2HB TYR 62 2HB TYR 62 -8.457 -5.934 10.057 466 HD1 TYR 62 HD1 TYR 62 -5.312 -4.348 11.348 467 HD2 TYR 62 HD2 TYR 62 -7.207 -7.956 9.931 468 HE1 TYR 62 HE1 TYR 62 -3.401 -5.683 12.181 469 HE2 TYR 62 HE2 TYR 62 -5.332 -9.292 10.832 470 HH TYR 62 HH TYR 62 -3.332 -9.262 11.965 471 H TYR 63 H TYR 63 -4.958 -4.422 8.232 472 HA TYR 63 HA TYR 63 -4.135 -2.183 9.685 473 1HB TYR 63 1HB TYR 63 -2.685 -3.974 8.900 474 2HB TYR 63 2HB TYR 63 -3.004 -3.532 7.222 475 HD1 TYR 63 HD1 TYR 63 -1.995 -1.474 10.239 476 HD2 TYR 63 HD2 TYR 63 -0.965 -2.876 6.287 477 HE1 TYR 63 HE1 TYR 63 0.147 -0.249 10.356 478 HE2 TYR 63 HE2 TYR 63 1.212 -1.722 6.451 479 HH TYR 63 HH TYR 63 2.585 -0.391 7.731 480 H VAL 64 H VAL 64 -4.929 -2.433 6.172 481 HA VAL 64 HA VAL 64 -4.534 0.355 5.642 482 HB VAL 64 HB VAL 64 -5.564 -0.045 3.507 483 1HG1 VAL 64 1HG1 VAL 64 -3.706 -2.315 4.323 484 2HG1 VAL 64 2HG1 VAL 64 -4.076 -1.831 2.661 485 3HG1 VAL 64 3HG1 VAL 64 -3.253 -0.703 3.743 486 1HG2 VAL 64 1HG2 VAL 64 -6.521 -2.668 4.681 487 2HG2 VAL 64 2HG2 VAL 64 -7.461 -1.390 3.903 488 3HG2 VAL 64 3HG2 VAL 64 -6.383 -2.407 2.941 489 H GLU 65 H GLU 65 -7.362 -1.582 6.617 490 HA GLU 65 HA GLU 65 -9.348 0.351 6.172 491 1HB GLU 65 1HB GLU 65 -9.708 -2.061 6.612 492 2HB GLU 65 2HB GLU 65 -9.301 -1.800 8.318 493 1HG GLU 65 1HG GLU 65 -11.212 -0.278 8.573 494 2HG GLU 65 2HG GLU 65 -11.554 -0.377 6.837 495 H TRP 66 H TRP 66 -7.182 -0.164 8.979 496 HA TRP 66 HA TRP 66 -8.379 1.881 10.649 497 1HB TRP 66 1HB TRP 66 -5.617 0.662 10.769 498 2HB TRP 66 2HB TRP 66 -6.452 1.529 12.055 499 HD1 TRP 66 HD1 TRP 66 -5.223 -1.309 12.418 500 HE1 TRP 66 HE1 TRP 66 -6.633 -3.283 13.162 501 HE3 TRP 66 HE3 TRP 66 -9.890 0.388 10.981 502 HZ2 TRP 66 HZ2 TRP 66 -9.410 -4.057 13.154 503 HZ3 TRP 66 HZ3 TRP 66 -11.858 -1.008 11.361 504 HH2 TRP 66 HH2 TRP 66 -11.651 -3.235 12.437 505 H ALA 67 H ALA 67 -5.610 1.776 8.377 506 HA ALA 67 HA ALA 67 -4.553 4.328 8.967 507 1HB ALA 67 1HB ALA 67 -3.373 2.595 7.671 508 2HB ALA 67 2HB ALA 67 -4.519 2.805 6.329 509 3HB ALA 67 3HB ALA 67 -3.441 4.134 6.793 510 H LEU 68 H LEU 68 -7.100 3.309 6.659 511 HA LEU 68 HA LEU 68 -7.465 6.042 5.713 512 1HB LEU 68 1HB LEU 68 -8.816 5.136 4.021 513 2HB LEU 68 2HB LEU 68 -7.398 4.129 4.208 514 HG LEU 68 HG LEU 68 -9.009 2.652 5.721 515 1HD1 LEU 68 1HD1 LEU 68 -10.986 4.045 3.857 516 2HD1 LEU 68 2HD1 LEU 68 -11.310 2.600 4.824 517 3HD1 LEU 68 3HD1 LEU 68 -11.005 4.143 5.628 518 1HD2 LEU 68 1HD2 LEU 68 -7.913 1.931 3.612 519 2HD2 LEU 68 2HD2 LEU 68 -9.576 1.337 3.706 520 3HD2 LEU 68 3HD2 LEU 68 -9.191 2.733 2.677 521 H ASP 69 H ASP 69 -8.938 4.013 8.137 522 HA ASP 69 HA ASP 69 -11.441 5.344 8.399 523 1HB ASP 69 1HB ASP 69 -11.016 3.257 9.562 524 2HB ASP 69 2HB ASP 69 -9.641 3.958 10.421 525 H ALA 70 H ALA 70 -8.164 6.066 9.655 526 HA ALA 70 HA ALA 70 -8.750 8.053 11.490 527 1HB ALA 70 1HB ALA 70 -6.534 7.033 11.166 528 2HB ALA 70 2HB ALA 70 -6.356 7.879 9.614 529 3HB ALA 70 3HB ALA 70 -6.436 8.806 11.128 530 H THR 71 H THR 71 -8.122 8.481 7.966 531 HA THR 71 HA THR 71 -8.491 11.359 8.147 532 HB THR 71 HB THR 71 -8.059 11.215 5.669 533 HG1 THR 71 HG1 THR 71 -7.187 9.178 5.009 534 1HG2 THR 71 1HG2 THR 71 -5.693 10.845 5.963 535 2HG2 THR 71 2HG2 THR 71 -6.309 11.658 7.403 536 H ALA 72 H ALA 72 -10.181 8.845 6.124 537 HA ALA 72 HA ALA 72 -12.229 10.638 5.301 538 1HB ALA 72 1HB ALA 72 -12.140 7.594 5.370 539 2HB ALA 72 2HB ALA 72 -13.431 8.549 4.615 540 3HB ALA 72 3HB ALA 72 -11.783 8.674 4.004 541 H TYR 73 H TYR 73 -12.628 7.812 7.465 542 HA TYR 73 HA TYR 73 -13.612 7.456 9.357 543 1HB TYR 73 1HB TYR 73 -12.287 9.592 9.937 544 2HB TYR 73 2HB TYR 73 -13.811 10.451 9.818 545 HD1 TYR 73 HD1 TYR 73 -13.066 7.085 11.420 546 HD2 TYR 73 HD2 TYR 73 -14.073 11.238 12.023 547 HE1 TYR 73 HE1 TYR 73 -13.478 6.636 13.799 548 HE2 TYR 73 HE2 TYR 73 -14.490 10.777 14.416 549 HH TYR 73 HH TYR 73 -14.108 7.506 15.834 550 H LYS 74 H LYS 74 -15.571 7.248 10.469 551 HA LYS 74 HA LYS 74 -17.746 7.115 10.804 552 1HB LYS 74 1HB LYS 74 -17.990 9.796 9.405 553 2HB LYS 74 2HB LYS 74 -19.193 9.013 10.433 554 1HG LYS 74 1HG LYS 74 -17.717 9.090 12.348 555 2HG LYS 74 2HG LYS 74 -16.427 9.833 11.394 556 1HD LYS 74 1HD LYS 74 -19.125 11.191 11.486 557 2HD LYS 74 2HD LYS 74 -18.061 11.278 12.894 558 1HE LYS 74 1HE LYS 74 -17.754 13.232 11.483 559 2HE LYS 74 2HE LYS 74 -16.267 12.281 11.586 560 1HZ LYS 74 1HZ LYS 74 -18.167 12.212 9.350 561 2HZ LYS 74 2HZ LYS 74 -16.746 13.049 9.370 562 3HZ LYS 74 3HZ LYS 74 -16.730 11.404 9.437 563 H GLU 75 H GLU 75 -18.374 8.802 7.705 564 HA GLU 75 HA GLU 75 -20.206 6.654 7.023 565 1HB GLU 75 1HB GLU 75 -19.622 9.327 5.702 566 2HB GLU 75 2HB GLU 75 -20.807 8.147 5.136 567 1HG GLU 75 1HG GLU 75 -22.042 9.714 6.355 568 2HG GLU 75 2HG GLU 75 -21.968 8.255 7.350 569 H PHE 76 H PHE 76 -18.397 5.072 6.795 570 HA PHE 76 HA PHE 76 -18.119 4.434 4.042 571 1HB PHE 76 1HB PHE 76 -15.823 4.556 3.654 572 2HB PHE 76 2HB PHE 76 -16.148 6.110 4.400 573 HD1 PHE 76 HD1 PHE 76 -15.741 6.286 6.997 574 HD2 PHE 76 HD2 PHE 76 -14.225 3.087 4.545 575 HE1 PHE 76 HE1 PHE 76 -14.546 5.341 8.957 576 HE2 PHE 76 HE2 PHE 76 -13.033 2.146 6.509 577 HZ PHE 76 1HZ PHE 76 -13.240 3.236 8.718 578 H ARG 77 H ARG 77 -17.556 2.182 3.826 579 HA ARG 77 HA ARG 77 -17.515 0.696 6.415 580 1HB ARG 77 1HB ARG 77 -19.618 0.399 5.327 581 2HB ARG 77 2HB ARG 77 -18.846 0.089 3.768 582 1HG ARG 77 1HG ARG 77 -19.672 -1.985 4.724 583 2HG ARG 77 2HG ARG 77 -17.925 -2.017 4.575 584 1HD ARG 77 1HD ARG 77 -17.923 -1.328 7.118 585 2HD ARG 77 2HD ARG 77 -19.613 -1.807 7.069 586 HE ARG 77 HE ARG 77 -18.988 -4.041 6.502 587 1HH1 ARG 77 1HH1 ARG 77 -16.136 -2.050 7.380 588 2HH1 ARG 77 2HH1 ARG 77 -15.116 -3.452 7.563 589 1HH2 ARG 77 1HH2 ARG 77 -17.585 -5.801 6.720 590 2HH2 ARG 77 2HH2 ARG 77 -15.919 -5.550 7.191 591 H VAL 78 H VAL 78 -16.571 0.287 2.974 592 HA VAL 78 HA VAL 78 -14.964 -0.917 1.963 593 HB VAL 78 HB VAL 78 -13.594 -1.558 4.607 594 1HG1 VAL 78 1HG1 VAL 78 -12.689 -1.623 1.710 595 2HG1 VAL 78 2HG1 VAL 78 -11.684 -2.005 3.124 596 3HG1 VAL 78 3HG1 VAL 78 -13.053 -3.048 2.705 597 1HG2 VAL 78 1HG2 VAL 78 -13.065 0.726 2.654 598 2HG2 VAL 78 2HG2 VAL 78 -13.592 0.883 4.342 599 3HG2 VAL 78 3HG2 VAL 78 -11.994 0.228 3.981 600 H VAL 79 H VAL 79 -16.747 -2.173 1.435 601 HA VAL 79 HA VAL 79 -17.914 -4.107 3.169 602 HB VAL 79 HB VAL 79 -18.166 -3.948 0.135 603 1HG1 VAL 79 1HG1 VAL 79 -19.143 -5.984 1.244 604 2HG1 VAL 79 2HG1 VAL 79 -20.093 -4.922 2.295 605 3HG1 VAL 79 3HG1 VAL 79 -20.378 -4.931 0.544 606 1HG2 VAL 79 1HG2 VAL 79 -19.696 -2.417 2.279 607 2HG2 VAL 79 2HG2 VAL 79 -18.661 -1.714 1.016 608 3HG2 VAL 79 3HG2 VAL 79 -20.163 -2.528 0.572 609 H GLU 80 H GLU 80 -15.932 -4.500 0.183 610 HA GLU 80 HA GLU 80 -14.878 -7.097 1.218 611 1HB GLU 80 1HB GLU 80 -15.916 -6.484 -1.583 612 2HB GLU 80 2HB GLU 80 -14.978 -7.919 -1.148 613 1HG GLU 80 1HG GLU 80 -16.718 -8.565 0.503 614 2HG GLU 80 2HG GLU 80 -17.698 -7.186 -0.018 615 H LEU 81 H LEU 81 -13.001 -7.811 -0.044 616 HA LEU 81 HA LEU 81 -11.377 -5.854 -1.433 617 1HB LEU 81 1HB LEU 81 -9.451 -6.013 0.093 618 2HB LEU 81 2HB LEU 81 -10.853 -5.270 0.857 619 HG LEU 81 HG LEU 81 -11.288 -7.748 1.769 620 1HD1 LEU 81 1HD1 LEU 81 -9.358 -8.814 0.547 621 2HD1 LEU 81 2HD1 LEU 81 -8.255 -7.708 1.383 622 3HD1 LEU 81 3HD1 LEU 81 -9.195 -8.909 2.291 623 1HD2 LEU 81 1HD2 LEU 81 -9.161 -5.864 2.858 624 2HD2 LEU 81 2HD2 LEU 81 -10.910 -5.763 3.156 625 3HD2 LEU 81 3HD2 LEU 81 -9.987 -7.141 3.778 626 H ASP 82 H ASP 82 -9.528 -6.872 -2.466 627 HA ASP 82 HA ASP 82 -9.986 -9.719 -3.013 628 1HB ASP 82 1HB ASP 82 -8.310 -9.457 -4.764 629 2HB ASP 82 2HB ASP 82 -9.637 -8.300 -4.910 630 HA PRO 83 HA PRO 83 -6.731 -10.787 -0.088 631 1HB PRO 83 1HB PRO 83 -6.305 -13.398 -0.696 632 2HB PRO 83 2HB PRO 83 -7.845 -12.830 0.012 633 1HG PRO 83 1HG PRO 83 -7.238 -13.294 -2.923 634 2HG PRO 83 2HG PRO 83 -8.616 -13.937 -1.981 635 1HD PRO 83 1HD PRO 83 -8.831 -11.676 -3.487 636 2HD PRO 83 2HD PRO 83 -9.666 -11.810 -1.908 637 H SER 84 H SER 84 -6.348 -10.850 -3.573 638 HA SER 84 HA SER 84 -3.674 -11.658 -3.839 639 1HB SER 84 1HB SER 84 -5.257 -9.661 -5.506 640 2HB SER 84 2HB SER 84 -3.764 -10.483 -5.995 641 HG SER 84 HG SER 84 -4.885 -12.466 -5.719 642 H ALA 85 H ALA 85 -5.045 -8.570 -2.861 643 HA ALA 85 HA ALA 85 -3.978 -6.478 -2.593 644 1HB ALA 85 1HB ALA 85 -3.399 -8.365 -0.283 645 2HB ALA 85 2HB ALA 85 -3.345 -6.595 -0.186 646 3HB ALA 85 3HB ALA 85 -4.869 -7.422 -0.564 647 H LYS 86 H LYS 86 -2.417 -6.455 -4.293 648 HA LYS 86 HA LYS 86 0.053 -7.784 -4.005 649 1HB LYS 86 1HB LYS 86 0.531 -6.925 -6.244 650 2HB LYS 86 2HB LYS 86 -1.074 -7.645 -6.084 651 1HG LYS 86 1HG LYS 86 -1.909 -5.176 -5.730 652 2HG LYS 86 2HG LYS 86 -0.353 -4.717 -6.415 653 1HD LYS 86 1HD LYS 86 -2.408 -6.581 -7.697 654 2HD LYS 86 2HD LYS 86 -2.269 -4.859 -8.050 655 1HE LYS 86 1HE LYS 86 -0.040 -6.884 -8.556 656 2HE LYS 86 2HE LYS 86 -1.208 -6.324 -9.761 657 1HZ LYS 86 1HZ LYS 86 -0.434 -4.094 -9.397 658 2HZ LYS 86 2HZ LYS 86 0.702 -4.632 -8.331 659 3HZ LYS 86 3HZ LYS 86 0.779 -5.082 -9.915 660 H ILE 87 H ILE 87 1.952 -7.238 -3.341 661 HA ILE 87 HA ILE 87 2.635 -4.580 -2.324 662 HB ILE 87 HB ILE 87 3.962 -7.307 -2.408 663 1HG1 ILE 87 1HG1 ILE 87 3.981 -7.135 -0.010 664 2HG1 ILE 87 2HG1 ILE 87 3.419 -5.442 -0.069 665 1HG2 ILE 87 1HG2 ILE 87 5.248 -4.674 -1.587 666 2HG2 ILE 87 2HG2 ILE 87 5.878 -6.276 -1.156 667 3HG2 ILE 87 3HG2 ILE 87 5.808 -5.797 -2.849 668 1HD1 ILE 87 1HD1 ILE 87 1.762 -7.811 -1.007 669 2HD1 ILE 87 2HD1 ILE 87 1.680 -7.125 0.625 670 3HD1 ILE 87 3HD1 ILE 87 1.213 -6.132 -0.759 671 H GLU 88 H GLU 88 3.543 -3.057 -3.585 672 HA GLU 88 HA GLU 88 4.873 -3.812 -6.169 673 1HB GLU 88 1HB GLU 88 2.978 -1.534 -5.518 674 2HB GLU 88 2HB GLU 88 3.978 -1.611 -6.970 675 1HG GLU 88 1HG GLU 88 2.895 -3.766 -7.586 676 2HG GLU 88 2HG GLU 88 1.877 -3.659 -6.141 677 H VAL 89 H VAL 89 6.892 -3.862 -5.231 678 HA VAL 89 HA VAL 89 7.941 -1.642 -3.665 679 HB VAL 89 HB VAL 89 10.107 -2.948 -3.928 680 1HG1 VAL 89 1HG1 VAL 89 7.707 -4.227 -2.574 681 2HG1 VAL 89 2HG1 VAL 89 9.413 -4.582 -2.217 682 3HG1 VAL 89 3HG1 VAL 89 8.768 -2.959 -1.925 683 1HG2 VAL 89 1HG2 VAL 89 9.369 -4.345 -5.921 684 2HG2 VAL 89 2HG2 VAL 89 10.022 -5.262 -4.555 685 3HG2 VAL 89 3HG2 VAL 89 8.278 -5.219 -4.827 686 H THR 90 H THR 90 7.803 0.178 -4.880 687 HA THR 90 HA THR 90 9.048 0.373 -7.531 688 HB THR 90 1HB THR 90 7.732 2.452 -5.726 689 HG1 THR 90 HG1 THR 90 6.331 0.801 -6.395 690 1HG2 THR 90 1HG2 THR 90 7.508 3.743 -7.835 691 2HG2 THR 90 2HG2 THR 90 9.211 3.498 -7.420 692 H TYR 91 H TYR 91 11.262 0.004 -7.200 693 HA TYR 91 HA TYR 91 12.715 1.692 -5.236 694 1HB TYR 91 1HB TYR 91 14.682 0.254 -6.203 695 2HB TYR 91 2HB TYR 91 13.619 -0.284 -4.924 696 HD1 TYR 91 HD1 TYR 91 12.107 -2.098 -5.114 697 HD2 TYR 91 HD2 TYR 91 14.536 -0.870 -8.457 698 HE1 TYR 91 HE1 TYR 91 11.830 -4.335 -6.137 699 HE2 TYR 91 HE2 TYR 91 14.281 -3.126 -9.454 700 HH TYR 91 HH TYR 91 13.382 -5.227 -9.236 701 H TYR 92 H TYR 92 12.318 3.627 -6.180 702 HA TYR 92 HA TYR 92 13.279 4.349 -8.825 703 1HB TYR 92 1HB TYR 92 12.656 6.577 -8.222 704 2HB TYR 92 2HB TYR 92 11.344 5.440 -7.943 705 HD1 TYR 92 HD1 TYR 92 10.761 4.735 -5.578 706 HD2 TYR 92 HD2 TYR 92 13.393 8.030 -6.460 707 HE1 TYR 92 HE1 TYR 92 10.706 5.413 -3.202 708 HE2 TYR 92 HE2 TYR 92 13.091 8.866 -4.152 709 HH TYR 92 HH TYR 92 11.210 7.085 -1.690 710 H ASP 93 H ASP 93 15.415 3.803 -8.946 711 HA ASP 93 HA ASP 93 17.302 5.424 -7.297 712 1HB ASP 93 1HB ASP 93 17.338 2.429 -7.803 713 2HB ASP 93 2HB ASP 93 18.758 3.351 -7.281 714 H LYS 94 H LYS 94 17.168 6.801 -9.115 715 HA LYS 94 HA LYS 94 18.184 5.975 -11.699 716 1HB LYS 94 1HB LYS 94 16.520 7.744 -11.383 717 2HB LYS 94 2HB LYS 94 17.694 8.722 -10.484 718 1HG LYS 94 1HG LYS 94 19.068 9.003 -12.471 719 2HG LYS 94 2HG LYS 94 18.169 7.744 -13.336 720 1HD LYS 94 1HD LYS 94 17.531 9.963 -14.122 721 2HD LYS 94 2HD LYS 94 16.157 9.131 -13.380 722 1HE LYS 94 1HE LYS 94 16.426 10.455 -11.322 723 2HE LYS 94 2HE LYS 94 17.881 11.228 -11.983 724 1HZ LYS 94 1HZ LYS 94 15.169 11.428 -13.079 725 2HZ LYS 94 2HZ LYS 94 15.954 12.589 -12.208 726 3HZ LYS 94 3HZ LYS 94 16.515 12.156 -13.699 727 H ASN 95 H ASN 95 20.093 4.950 -11.060 728 HA ASN 95 HA ASN 95 22.458 6.634 -10.898 729 1HB ASN 95 1HB ASN 95 23.370 5.395 -8.909 730 2HB ASN 95 2HB ASN 95 22.097 6.571 -8.587 731 1HD2 ASN 95 1HD2 ASN 95 20.771 4.121 -6.413 732 2HD2 ASN 95 2HD2 ASN 95 21.656 5.625 -6.549 733 H LYS 96 H LYS 96 20.994 3.399 -11.004 734 HA LYS 96 HA LYS 96 22.568 2.791 -13.338 735 1HB LYS 96 1HB LYS 96 23.515 0.695 -12.591 736 2HB LYS 96 2HB LYS 96 24.176 2.047 -11.668 737 1HG LYS 96 1HG LYS 96 22.679 1.473 -9.761 738 2HG LYS 96 2HG LYS 96 22.034 0.102 -10.694 739 1HD LYS 96 1HD LYS 96 24.309 -0.863 -10.861 740 2HD LYS 96 2HD LYS 96 24.945 0.475 -9.880 741 1HE LYS 96 1HE LYS 96 23.497 -0.197 -8.001 742 2HE LYS 96 2HE LYS 96 22.802 -1.504 -8.987 743 1HZ LYS 96 1HZ LYS 96 24.967 -2.478 -9.118 744 2HZ LYS 96 2HZ LYS 96 25.617 -1.274 -8.198 745 3HZ LYS 96 3HZ LYS 96 24.507 -2.303 -7.545 746 H LYS 97 H LYS 97 20.201 1.683 -10.876 747 HA LYS 97 HA LYS 97 19.087 -0.276 -12.671 748 1HB LYS 97 1HB LYS 97 19.153 -0.647 -10.236 749 2HB LYS 97 2HB LYS 97 18.121 0.764 -9.979 750 1HG LYS 97 1HG LYS 97 16.716 -1.160 -9.813 751 2HG LYS 97 2HG LYS 97 16.318 -0.375 -11.332 752 1HD LYS 97 1HD LYS 97 18.119 -2.145 -12.313 753 2HD LYS 97 2HD LYS 97 17.781 -2.966 -10.790 754 1HE LYS 97 1HE LYS 97 16.341 -3.871 -12.489 755 2HE LYS 97 2HE LYS 97 15.319 -2.896 -11.423 756 1HZ LYS 97 1HZ LYS 97 16.413 -2.039 -14.009 757 2HZ LYS 97 2HZ LYS 97 14.859 -2.511 -13.728 758 3HZ LYS 97 3HZ LYS 97 15.439 -1.135 -13.034 759 H LYS 98 H LYS 98 17.665 2.628 -11.113 760 HA LYS 98 HA LYS 98 16.236 4.190 -11.786 761 1HB LYS 98 1HB LYS 98 17.475 3.936 -14.023 762 2HB LYS 98 2HB LYS 98 16.058 3.069 -14.602 763 1HG LYS 98 1HG LYS 98 16.132 5.913 -13.484 764 2HG LYS 98 2HG LYS 98 16.148 5.478 -15.191 765 1HD LYS 98 1HD LYS 98 13.833 5.130 -13.256 766 2HD LYS 98 2HD LYS 98 13.969 6.239 -14.610 767 1HE LYS 98 1HE LYS 98 14.081 4.309 -16.188 768 2HE LYS 98 2HE LYS 98 13.794 3.204 -14.828 769 1HZ LYS 98 1HZ LYS 98 11.984 5.336 -15.689 770 2HZ LYS 98 2HZ LYS 98 11.791 3.721 -15.967 771 3HZ LYS 98 3HZ LYS 98 11.735 4.305 -14.427 772 H GLU 99 H GLU 99 14.232 4.211 -11.141 773 HA GLU 99 HA GLU 99 12.567 2.713 -10.063 774 1HB GLU 99 1HB GLU 99 12.140 5.047 -10.814 775 2HB GLU 99 2HB GLU 99 11.517 4.415 -12.343 776 1HG GLU 99 1HG GLU 99 9.756 3.172 -11.111 777 2HG GLU 99 2HG GLU 99 10.449 3.714 -9.574 778 H GLU 100 H GLU 100 12.128 0.660 -10.140 779 HA GLU 100 HA GLU 100 10.635 -0.429 -12.445 780 1HB GLU 100 1HB GLU 100 13.059 -1.010 -12.683 781 2HB GLU 100 2HB GLU 100 12.989 -1.865 -11.141 782 1HG GLU 100 1HG GLU 100 11.330 -2.480 -13.637 783 2HG GLU 100 2HG GLU 100 12.793 -3.342 -13.148 784 H THR 101 H THR 101 8.812 -1.268 -11.689 785 HA THR 101 HA THR 101 8.479 -1.739 -8.779 786 HB THR 101 HB THR 101 6.437 -1.285 -10.985 787 HG1 THR 101 HG1 THR 101 7.461 0.436 -8.983 788 1HG2 THR 101 1HG2 THR 101 5.495 -2.529 -9.058 789 2HG2 THR 101 2HG2 THR 101 6.200 -1.340 -7.942 790 H LYS 102 H LYS 102 9.013 -3.858 -8.345 791 HA LYS 102 HA LYS 102 8.138 -6.038 -10.087 792 1HB LYS 102 1HB LYS 102 10.280 -6.151 -8.811 793 2HB LYS 102 2HB LYS 102 9.375 -6.077 -7.312 794 1HG LYS 102 1HG LYS 102 10.003 -8.352 -7.759 795 2HG LYS 102 2HG LYS 102 8.251 -8.187 -7.793 796 1HD LYS 102 1HD LYS 102 9.024 -9.691 -9.501 797 2HD LYS 102 2HD LYS 102 8.262 -8.305 -10.271 798 1HE LYS 102 1HE LYS 102 11.284 -8.430 -9.871 799 2HE LYS 102 2HE LYS 102 10.501 -9.281 -11.210 800 1HZ LYS 102 1HZ LYS 102 9.595 -7.240 -11.966 801 2HZ LYS 102 2HZ LYS 102 10.310 -6.396 -10.747 802 3HZ LYS 102 3HZ LYS 102 11.237 -7.145 -11.881 803 H SER 103 H SER 103 6.010 -6.462 -10.139 804 HA SER 103 HA SER 103 4.240 -5.762 -7.909 805 1HB SER 103 1HB SER 103 2.472 -6.283 -9.567 806 2HB SER 103 2HB SER 103 3.614 -5.036 -10.101 807 HG SER 103 HG SER 103 3.180 -6.577 -11.725 808 H PHE 104 H PHE 104 5.204 -7.418 -6.493 809 HA PHE 104 HA PHE 104 4.585 -10.218 -6.962 810 1HB PHE 104 1HB PHE 104 6.588 -9.472 -5.759 811 2HB PHE 104 2HB PHE 104 5.595 -8.671 -4.547 812 HD1 PHE 104 HD1 PHE 104 6.734 -11.954 -5.858 813 HD2 PHE 104 HD2 PHE 104 4.521 -9.929 -2.766 814 HE1 PHE 104 HE1 PHE 104 6.464 -14.101 -4.640 815 HE2 PHE 104 HE2 PHE 104 4.118 -12.099 -1.639 816 HZ PHE 104 1HZ PHE 104 5.122 -14.182 -2.547 817 HA PRO 105 HA PRO 105 0.476 -9.762 -5.085 818 1HB PRO 105 1HB PRO 105 -0.363 -12.323 -4.922 819 2HB PRO 105 2HB PRO 105 0.037 -11.563 -6.469 820 1HG PRO 105 1HG PRO 105 1.922 -13.251 -4.796 821 2HG PRO 105 2HG PRO 105 1.429 -13.531 -6.496 822 1HD PRO 105 1HD PRO 105 3.691 -12.170 -5.902 823 2HD PRO 105 2HD PRO 105 2.651 -11.643 -7.251 824 H ILE 106 H ILE 106 0.096 -12.359 -3.110 825 HA ILE 106 HA ILE 106 1.880 -11.877 -0.974 826 HB ILE 106 HB ILE 106 0.391 -9.779 -0.861 827 1HG1 ILE 106 1HG1 ILE 106 0.049 -9.742 1.495 828 2HG1 ILE 106 2HG1 ILE 106 0.186 -11.538 1.600 829 1HG2 ILE 106 1HG2 ILE 106 -1.716 -10.967 -1.505 830 2HG2 ILE 106 2HG2 ILE 106 -1.745 -11.720 0.091 831 3HG2 ILE 106 3HG2 ILE 106 -1.852 -9.962 -0.049 832 1HD1 ILE 106 1HD1 ILE 106 2.433 -9.679 0.649 833 2HD1 ILE 106 2HD1 ILE 106 2.213 -10.194 2.333 834 3HD1 ILE 106 3HD1 ILE 106 2.563 -11.400 1.091 835 H THR 107 H THR 107 1.358 -13.225 0.922 836 HA THR 107 HA THR 107 -0.887 -15.129 0.638 837 HB THR 107 1HB THR 107 0.569 -16.999 1.366 838 HG1 THR 107 HG1 THR 107 2.248 -15.721 2.224 839 1HG2 THR 107 1HG2 THR 107 0.045 -16.703 -1.053 840 2HG2 THR 107 2HG2 THR 107 1.547 -15.770 -1.248 841 H GLU 108 H GLU 108 -1.607 -15.976 2.618 842 HA GLU 108 HA GLU 108 -1.538 -14.088 4.753 843 1HB GLU 108 1HB GLU 108 -3.157 -15.498 5.813 844 2HB GLU 108 2HB GLU 108 -3.522 -15.369 4.087 845 1HG GLU 108 1HG GLU 108 -2.467 -17.604 3.710 846 2HG GLU 108 2HG GLU 108 -2.157 -17.736 5.449 847 H LYS 109 H LYS 109 0.644 -16.644 4.118 848 HA LYS 109 HA LYS 109 1.899 -16.117 6.725 849 1HB LYS 109 1HB LYS 109 0.476 -18.206 6.936 850 2HB LYS 109 2HB LYS 109 1.510 -18.972 5.722 851 1HG LYS 109 1HG LYS 109 3.482 -18.611 7.234 852 2HG LYS 109 2HG LYS 109 2.421 -17.789 8.395 853 1HD LYS 109 1HD LYS 109 1.080 -19.866 8.636 854 2HD LYS 109 2HD LYS 109 2.155 -20.689 7.487 855 1HE LYS 109 1HE LYS 109 4.075 -20.307 9.011 856 2HE LYS 109 2HE LYS 109 3.004 -19.473 10.155 857 1HZ LYS 109 1HZ LYS 109 1.769 -21.497 10.379 858 2HZ LYS 109 2HZ LYS 109 2.766 -22.274 9.319 859 3HZ LYS 109 3HZ LYS 109 3.354 -21.739 10.764 860 H GLY 110 H GLY 110 2.673 -14.789 4.713 861 1HA GLY 110 1HA GLY 110 4.467 -16.154 2.881 862 2HA GLY 110 2HA GLY 110 4.116 -14.425 2.982 863 H PHE 111 H PHE 111 5.194 -13.156 4.673 864 HA PHE 111 HA PHE 111 7.741 -14.178 5.721 865 1HB PHE 111 1HB PHE 111 9.049 -12.720 4.158 866 2HB PHE 111 2HB PHE 111 8.269 -14.078 3.369 867 HD1 PHE 111 HD1 PHE 111 8.247 -10.382 3.742 868 HD2 PHE 111 HD2 PHE 111 6.412 -13.769 1.798 869 HE1 PHE 111 HE1 PHE 111 6.989 -8.854 2.251 870 HE2 PHE 111 HE2 PHE 111 5.080 -12.239 0.397 871 HZ PHE 111 1HZ PHE 111 5.380 -9.774 0.592 872 H VAL 112 H VAL 112 9.024 -12.590 6.701 873 HA VAL 112 HA VAL 112 7.699 -10.123 7.682 874 HB VAL 112 HB VAL 112 10.322 -11.528 8.384 875 1HG1 VAL 112 1HG1 VAL 112 10.464 -9.082 8.809 876 2HG1 VAL 112 2HG1 VAL 112 8.982 -9.189 9.787 877 3HG1 VAL 112 3HG1 VAL 112 10.456 -10.019 10.306 878 1HG2 VAL 112 1HG2 VAL 112 7.693 -11.366 9.926 879 2HG2 VAL 112 2HG2 VAL 112 8.363 -12.822 9.157 880 3HG2 VAL 112 3HG2 VAL 112 9.203 -12.082 10.524 881 H VAL 113 H VAL 113 8.613 -8.060 7.083 882 HA VAL 113 HA VAL 113 9.786 -7.812 4.546 883 HB VAL 113 HB VAL 113 9.837 -5.830 6.851 884 1HG1 VAL 113 1HG1 VAL 113 10.367 -5.447 3.868 885 2HG1 VAL 113 2HG1 VAL 113 10.184 -4.137 5.048 886 3HG1 VAL 113 3HG1 VAL 113 11.557 -5.241 5.173 887 1HG2 VAL 113 1HG2 VAL 113 7.935 -6.181 4.498 888 2HG2 VAL 113 2HG2 VAL 113 7.563 -6.344 6.231 889 3HG2 VAL 113 3HG2 VAL 113 7.971 -4.764 5.569 890 HA PRO 114 HA PRO 114 13.848 -9.129 6.045 891 1HB PRO 114 1HB PRO 114 15.087 -9.701 3.716 892 2HB PRO 114 2HB PRO 114 13.640 -10.584 4.244 893 1HG PRO 114 1HG PRO 114 13.691 -8.249 2.305 894 2HG PRO 114 2HG PRO 114 12.945 -9.854 2.078 895 1HD PRO 114 1HD PRO 114 11.552 -7.667 2.996 896 2HD PRO 114 2HD PRO 114 11.175 -9.337 3.508 897 H ASP 115 H ASP 115 15.454 -7.811 3.322 898 HA ASP 115 HA ASP 115 15.558 -5.063 4.148 899 1HB ASP 115 1HB ASP 115 17.134 -6.265 5.785 900 2HB ASP 115 2HB ASP 115 18.154 -6.655 4.404 901 H LEU 116 H LEU 116 18.415 -5.234 2.718 902 HA LEU 116 HA LEU 116 17.497 -5.782 -0.049 903 1HB LEU 116 1HB LEU 116 18.878 -3.218 0.882 904 2HB LEU 116 2HB LEU 116 18.566 -3.709 -0.783 905 HG LEU 116 HG LEU 116 16.024 -3.874 0.156 906 1HD1 LEU 116 1HD1 LEU 116 16.649 -3.039 2.464 907 2HD1 LEU 116 2HD1 LEU 116 17.280 -1.561 1.719 908 3HD1 LEU 116 3HD1 LEU 116 15.551 -1.944 1.615 909 1HD2 LEU 116 1HD2 LEU 116 16.800 -2.637 -1.813 910 2HD2 LEU 116 2HD2 LEU 116 15.645 -1.703 -0.849 911 3HD2 LEU 116 3HD2 LEU 116 17.384 -1.323 -0.760 912 H SER 117 H SER 117 19.184 -6.248 -1.488 913 HA SER 117 HA SER 117 21.478 -7.549 -0.271 914 1HB SER 117 1HB SER 117 20.313 -8.579 -2.135 915 2HB SER 117 2HB SER 117 20.638 -7.185 -3.179 916 HG SER 117 HG SER 117 22.866 -7.627 -2.927 917 H GLU 118 H GLU 118 21.301 -5.188 -2.971 918 HA GLU 118 HA GLU 118 23.322 -3.401 -1.930 919 1HB GLU 118 1HB GLU 118 24.727 -5.354 -2.438 920 2HB GLU 118 2HB GLU 118 24.096 -5.440 -4.079 921 1HG GLU 118 1HG GLU 118 25.593 -3.029 -2.941 922 2HG GLU 118 2HG GLU 118 26.399 -4.391 -3.729 923 H HIS 119 H HIS 119 21.736 -4.788 -4.788 924 HA HIS 119 HA HIS 119 22.247 -3.160 -6.770 925 1HB HIS 119 1HB HIS 119 20.231 -3.835 -7.842 926 2HB HIS 119 2HB HIS 119 20.858 -5.173 -6.883 927 HD1 HIS 119 HD1 HIS 119 17.680 -3.859 -7.743 928 HD2 HIS 119 HD2 HIS 119 19.514 -5.023 -4.138 929 HE1 HIS 119 HE1 HIS 119 15.801 -4.372 -6.091 930 H ILE 120 H ILE 120 19.678 -2.273 -4.398 931 HA ILE 120 HA ILE 120 19.857 0.523 -5.400 932 HB ILE 120 HB ILE 120 17.485 0.783 -5.311 933 1HG1 ILE 120 1HG1 ILE 120 16.148 -1.539 -5.393 934 2HG1 ILE 120 2HG1 ILE 120 17.439 -1.999 -4.239 935 1HG2 ILE 120 1HG2 ILE 120 18.553 0.169 -7.430 936 2HG2 ILE 120 2HG2 ILE 120 18.158 -1.535 -7.131 937 3HG2 ILE 120 3HG2 ILE 120 16.863 -0.345 -7.334 938 1HD1 ILE 120 1HD1 ILE 120 15.642 0.485 -3.983 939 2HD1 ILE 120 2HD1 ILE 120 15.328 -1.069 -3.196 940 3HD1 ILE 120 3HD1 ILE 120 16.770 -0.131 -2.772 941 H LYS 121 H LYS 121 19.005 2.108 -3.950 942 HA LYS 121 HA LYS 121 19.771 1.554 -1.156 943 1HB LYS 121 1HB LYS 121 20.816 3.433 -2.241 944 2HB LYS 121 2HB LYS 121 19.255 4.111 -2.718 945 1HG LYS 121 1HG LYS 121 18.652 4.451 -0.343 946 2HG LYS 121 2HG LYS 121 20.210 3.767 0.157 947 1HD LYS 121 1HD LYS 121 21.413 5.571 -0.937 948 2HD LYS 121 2HD LYS 121 19.929 6.198 -1.672 949 1HE LYS 121 1HE LYS 121 20.406 6.070 1.333 950 2HE LYS 121 2HE LYS 121 20.710 7.495 0.322 951 1HZ LYS 121 1HZ LYS 121 18.409 7.491 -0.296 952 2HZ LYS 121 2HZ LYS 121 18.107 6.192 0.672 953 3HZ LYS 121 3HZ LYS 121 18.583 7.622 1.337 954 H ASN 122 H ASN 122 17.172 3.467 -2.743 955 HA ASN 122 HA ASN 122 15.553 3.092 -0.316 956 1HB ASN 122 1HB ASN 122 14.577 5.157 -0.672 957 2HB ASN 122 2HB ASN 122 16.328 5.300 -0.737 958 1HD2 ASN 122 1HD2 ASN 122 15.714 5.787 -4.549 959 2HD2 ASN 122 2HD2 ASN 122 16.258 4.353 -3.719 960 HA PRO 123 HA PRO 123 12.734 0.827 -3.134 961 1HB PRO 123 1HB PRO 123 11.450 -0.715 -1.318 962 2HB PRO 123 2HB PRO 123 13.132 -1.038 -1.808 963 1HG PRO 123 1HG PRO 123 12.207 0.522 0.621 964 2HG PRO 123 2HG PRO 123 13.345 -0.858 0.583 965 1HD PRO 123 1HD PRO 123 14.217 1.687 0.598 966 2HD PRO 123 2HD PRO 123 15.048 0.471 -0.405 967 H GLY 124 H GLY 124 10.190 0.455 -2.796 968 1HA GLY 124 1HA GLY 124 8.853 2.663 -1.373 969 2HA GLY 124 2HA GLY 124 8.784 2.712 -3.144 970 H PHE 125 H PHE 125 8.378 0.430 -0.419 971 HA PHE 125 HA PHE 125 6.657 -1.468 -1.634 972 1HB PHE 125 1HB PHE 125 7.049 -0.532 1.230 973 2HB PHE 125 2HB PHE 125 5.929 -1.818 0.793 974 HD1 PHE 125 HD1 PHE 125 9.581 -0.884 0.506 975 HD2 PHE 125 HD2 PHE 125 6.646 -4.043 0.759 976 HE1 PHE 125 HE1 PHE 125 11.387 -2.551 0.765 977 HE2 PHE 125 HE2 PHE 125 8.465 -5.698 1.034 978 HZ PHE 125 1HZ PHE 125 10.838 -4.958 1.037 979 H ASN 126 H ASN 126 4.534 -1.363 -2.186 980 HA ASN 126 HA ASN 126 2.794 0.763 -1.011 981 1HB ASN 126 1HB ASN 126 2.779 -0.065 -3.927 982 2HB ASN 126 2HB ASN 126 1.825 1.208 -3.161 983 1HD2 ASN 126 1HD2 ASN 126 4.993 2.443 -5.025 984 2HD2 ASN 126 2HD2 ASN 126 3.875 1.165 -5.447 985 H LEU 127 H LEU 127 1.226 -0.253 0.067 986 HA LEU 127 HA LEU 127 0.563 -3.068 -0.502 987 1HB LEU 127 1HB LEU 127 -0.396 -1.181 1.694 988 2HB LEU 127 2HB LEU 127 -0.698 -2.913 1.573 989 HG LEU 127 HG LEU 127 0.937 -2.740 3.173 990 1HD1 LEU 127 1HD1 LEU 127 1.467 -4.450 1.430 991 2HD1 LEU 127 2HD1 LEU 127 2.582 -3.286 0.672 992 3HD1 LEU 127 3HD1 LEU 127 2.890 -3.868 2.315 993 1HD2 LEU 127 1HD2 LEU 127 1.596 -0.374 2.778 994 2HD2 LEU 127 2HD2 LEU 127 2.924 -1.464 3.174 995 3HD2 LEU 127 3HD2 LEU 127 2.712 -0.923 1.505 996 H ILE 128 H ILE 128 -0.214 -2.023 -2.684 997 HA ILE 128 HA ILE 128 -2.755 -0.651 -2.635 998 HB ILE 128 HB ILE 128 -1.002 -1.790 -4.828 999 1HG1 ILE 128 1HG1 ILE 128 -1.700 1.094 -4.104 1000 2HG1 ILE 128 2HG1 ILE 128 -0.313 0.218 -3.414 1001 1HG2 ILE 128 1HG2 ILE 128 -3.591 -0.192 -5.081 1002 2HG2 ILE 128 2HG2 ILE 128 -2.477 -0.536 -6.420 1003 3HG2 ILE 128 3HG2 ILE 128 -3.330 -1.859 -5.640 1004 1HD1 ILE 128 1HD1 ILE 128 0.650 -0.075 -5.663 1005 2HD1 ILE 128 2HD1 ILE 128 -0.712 0.812 -6.391 1006 3HD1 ILE 128 3HD1 ILE 128 0.396 1.636 -5.287 1007 H THR 129 H THR 129 -4.734 -1.459 -2.739 1008 HA THR 129 HA THR 129 -5.258 -4.228 -3.618 1009 HB THR 129 1HB THR 129 -6.281 -3.134 -0.960 1010 HG1 THR 129 HG1 THR 129 -4.075 -3.561 -0.807 1011 1HG2 THR 129 1HG2 THR 129 -6.372 -5.924 -2.178 1012 2HG2 THR 129 2HG2 THR 129 -6.955 -5.474 -0.564 1013 H LYS 130 H LYS 130 -7.234 -4.383 -4.638 1014 HA LYS 130 HA LYS 130 -8.699 -1.885 -5.186 1015 1HB LYS 130 1HB LYS 130 -7.910 -3.335 -6.958 1016 2HB LYS 130 2HB LYS 130 -8.887 -4.674 -6.398 1017 1HG LYS 130 1HG LYS 130 -10.104 -1.974 -7.115 1018 2HG LYS 130 2HG LYS 130 -9.643 -3.112 -8.374 1019 1HD LYS 130 1HD LYS 130 -11.771 -3.619 -6.251 1020 2HD LYS 130 2HD LYS 130 -11.977 -3.234 -7.956 1021 1HE LYS 130 1HE LYS 130 -12.251 -5.456 -8.134 1022 2HE LYS 130 2HE LYS 130 -10.498 -5.397 -8.367 1023 1HZ LYS 130 1HZ LYS 130 -11.935 -5.986 -5.867 1024 2HZ LYS 130 2HZ LYS 130 -11.169 -7.084 -6.827 1025 3HZ LYS 130 3HZ LYS 130 -10.296 -5.949 -6.015 1026 H VAL 131 H VAL 131 -9.821 -1.437 -3.301 1027 HA VAL 131 HA VAL 131 -11.485 -3.572 -2.091 1028 HB VAL 131 HB VAL 131 -11.479 -2.318 -0.096 1029 1HG1 VAL 131 1HG1 VAL 131 -9.536 -3.786 -0.623 1030 2HG1 VAL 131 2HG1 VAL 131 -8.639 -2.362 -1.175 1031 3HG1 VAL 131 3HG1 VAL 131 -9.149 -2.486 0.518 1032 1HG2 VAL 131 1HG2 VAL 131 -9.858 -0.157 -1.513 1033 2HG2 VAL 131 2HG2 VAL 131 -11.519 0.008 -0.893 1034 3HG2 VAL 131 3HG2 VAL 131 -10.184 -0.247 0.228 1035 H VAL 132 H VAL 132 -13.617 -3.431 -1.825 1036 HA VAL 132 HA VAL 132 -15.081 -1.541 -3.539 1037 HB VAL 132 HB VAL 132 -15.935 -4.049 -2.030 1038 1HG1 VAL 132 1HG1 VAL 132 -17.848 -2.522 -2.545 1039 2HG1 VAL 132 2HG1 VAL 132 -17.335 -2.508 -4.247 1040 3HG1 VAL 132 3HG1 VAL 132 -17.902 -4.010 -3.499 1041 1HG2 VAL 132 1HG2 VAL 132 -15.158 -3.632 -4.949 1042 2HG2 VAL 132 2HG2 VAL 132 -14.280 -4.612 -3.755 1043 3HG2 VAL 132 3HG2 VAL 132 -15.890 -5.108 -4.284 1044 H ILE 133 H ILE 133 -15.338 0.400 -2.456 1045 HA ILE 133 HA ILE 133 -16.043 0.441 0.403 1046 HB ILE 133 HB ILE 133 -15.465 2.698 -1.553 1047 1HG1 ILE 133 1HG1 ILE 133 -13.746 1.166 0.442 1048 2HG1 ILE 133 2HG1 ILE 133 -13.528 1.321 -1.318 1049 1HG2 ILE 133 1HG2 ILE 133 -15.716 2.720 1.490 1050 2HG2 ILE 133 2HG2 ILE 133 -15.240 4.100 0.476 1051 3HG2 ILE 133 3HG2 ILE 133 -16.857 3.463 0.348 1052 1HD1 ILE 133 1HD1 ILE 133 -13.126 3.800 -0.951 1053 2HD1 ILE 133 2HD1 ILE 133 -13.120 3.485 0.806 1054 3HD1 ILE 133 3HD1 ILE 133 -11.905 2.728 -0.223 1055 H GLU 134 H GLU 134 -17.911 1.275 1.247 1056 HA GLU 134 HA GLU 134 -20.032 2.272 -0.545 1057 1HB GLU 134 1HB GLU 134 -20.545 -0.109 -0.246 1058 2HB GLU 134 2HB GLU 134 -20.395 0.053 1.513 1059 1HG GLU 134 1HG GLU 134 -22.747 0.003 0.784 1060 2HG GLU 134 2HG GLU 134 -22.349 1.507 1.612 1061 H LYS 135 H LYS 135 -20.795 4.126 0.243 1062 HA LYS 135 HA LYS 135 -19.977 5.273 2.753 1063 1HB LYS 135 1HB LYS 135 -22.219 6.020 0.841 1064 2HB LYS 135 2HB LYS 135 -21.596 7.046 2.134 1065 1HG LYS 135 1HG LYS 135 -19.984 6.123 -0.306 1066 2HG LYS 135 2HG LYS 135 -20.838 7.650 -0.132 1067 1HD LYS 135 1HD LYS 135 -18.810 8.404 0.476 1068 2HD LYS 135 2HD LYS 135 -19.363 7.899 2.076 1069 1HE LYS 135 1HE LYS 135 -18.082 5.734 1.744 1070 2HE LYS 135 2HE LYS 135 -17.588 6.319 0.147 1071 1HZ LYS 135 1HZ LYS 135 -16.493 8.142 1.226 1072 2HZ LYS 135 2HZ LYS 135 -16.962 7.605 2.709 1073 3HZ LYS 135 3HZ LYS 135 -15.921 6.709 1.802 1074 H LYS 136 H LYS 136 -20.833 4.960 4.733 1075 HA LYS 136 HA LYS 136 -23.249 3.351 5.106 1076 1HB LYS 136 1HB LYS 136 -21.451 4.816 7.074 1077 2HB LYS 136 2HB LYS 136 -22.822 3.775 7.501 1078 1HG LYS 136 1HG LYS 136 -21.748 1.830 6.551 1079 2HG LYS 136 2HG LYS 136 -20.449 2.812 5.860 1080 1HD LYS 136 1HD LYS 136 -19.692 1.629 7.836 1081 2HD LYS 136 2HD LYS 136 -19.594 3.379 8.073 1082 1HE LYS 136 1HE LYS 136 -22.007 1.834 9.072 1083 2HE LYS 136 2HE LYS 136 -20.490 1.835 9.983 1084 1HZ LYS 136 1HZ LYS 136 -20.548 4.190 10.072 1085 2HZ LYS 136 2HZ LYS 136 -21.971 4.249 9.247 1086 3HZ LYS 136 3HZ LYS 136 -21.912 3.551 10.736 No H/Q in entry = 1086 Start of MODEL 14 1 H SER 1 H SER 1 -14.850 10.936 9.619 2 HA SER 1 HA SER 1 -16.797 12.839 9.075 3 1HB SER 1 1HB SER 1 -14.043 12.672 7.782 4 2HB SER 1 2HB SER 1 -15.037 14.124 7.981 5 HG SER 1 HG SER 1 -13.965 12.526 10.060 6 H SER 2 H SER 2 -16.729 10.040 7.407 7 HA SER 2 HA SER 2 -17.750 9.279 5.611 8 1HB SER 2 1HB SER 2 -18.808 12.102 5.136 9 2HB SER 2 2HB SER 2 -19.349 10.628 4.336 10 HG SER 2 HG SER 2 -19.416 11.131 7.126 11 H SER 3 H SER 3 -16.838 12.492 4.303 12 HA SER 3 HA SER 3 -15.340 11.195 2.108 13 1HB SER 3 1HB SER 3 -15.274 13.448 1.155 14 2HB SER 3 2HB SER 3 -16.936 12.948 1.519 15 HG SER 3 HG SER 3 -16.789 14.176 3.445 16 H PHE 4 H PHE 4 -13.161 11.302 1.938 17 HA PHE 4 HA PHE 4 -11.526 11.985 4.197 18 1HB PHE 4 1HB PHE 4 -9.701 11.288 2.879 19 2HB PHE 4 2HB PHE 4 -11.023 10.185 2.525 20 HD1 PHE 4 HD1 PHE 4 -12.375 10.593 0.306 21 HD2 PHE 4 HD2 PHE 4 -8.535 12.372 1.129 22 HE1 PHE 4 HE1 PHE 4 -12.248 11.403 -2.026 23 HE2 PHE 4 HE2 PHE 4 -8.357 13.057 -1.237 24 HZ PHE 4 1HZ PHE 4 -10.255 12.670 -2.798 25 H ASP 5 H ASP 5 -10.262 13.818 4.553 26 HA ASP 5 HA ASP 5 -10.971 16.243 3.083 27 1HB ASP 5 1HB ASP 5 -9.812 17.411 4.797 28 2HB ASP 5 2HB ASP 5 -10.765 16.143 5.562 29 H LYS 6 H LYS 6 -8.716 17.744 3.026 30 HA LYS 6 HA LYS 6 -7.177 18.344 1.526 31 1HB LYS 6 1HB LYS 6 -5.020 17.131 1.685 32 2HB LYS 6 2HB LYS 6 -5.766 17.588 3.209 33 1HG LYS 6 1HG LYS 6 -6.522 15.310 3.616 34 2HG LYS 6 2HG LYS 6 -5.836 14.764 2.073 35 1HD LYS 6 1HD LYS 6 -3.611 15.179 2.825 36 2HD LYS 6 2HD LYS 6 -4.152 16.131 4.220 37 1HE LYS 6 1HE LYS 6 -4.846 13.195 3.878 38 2HE LYS 6 2HE LYS 6 -3.385 13.752 4.721 39 1HZ LYS 6 1HZ LYS 6 -4.794 14.951 6.224 40 2HZ LYS 6 2HZ LYS 6 -6.147 14.408 5.455 41 3HZ LYS 6 3HZ LYS 6 -5.158 13.344 6.229 42 H GLY 7 H GLY 7 -5.505 15.887 0.134 43 1HA GLY 7 1HA GLY 7 -7.348 14.984 -1.881 44 2HA GLY 7 2HA GLY 7 -6.551 16.478 -2.388 45 H LYS 8 H LYS 8 -5.845 13.209 -1.081 46 HA LYS 8 HA LYS 8 -4.150 11.757 -1.409 47 1HB LYS 8 1HB LYS 8 -5.326 11.618 -3.491 48 2HB LYS 8 2HB LYS 8 -4.393 12.936 -4.210 49 1HG LYS 8 1HG LYS 8 -2.493 11.611 -4.516 50 2HG LYS 8 2HG LYS 8 -2.897 10.538 -3.176 51 1HD LYS 8 1HD LYS 8 -3.157 9.357 -5.285 52 2HD LYS 8 2HD LYS 8 -4.735 9.540 -4.507 53 1HE LYS 8 1HE LYS 8 -5.241 11.470 -6.003 54 2HE LYS 8 2HE LYS 8 -3.663 11.247 -6.788 55 1HZ LYS 8 1HZ LYS 8 -4.384 9.059 -7.428 56 2HZ LYS 8 2HZ LYS 8 -5.839 9.278 -6.687 57 3HZ LYS 8 3HZ LYS 8 -5.433 10.200 -7.991 58 H TYR 9 H TYR 9 -3.045 13.366 0.108 59 HA TYR 9 HA TYR 9 -0.497 14.388 -1.068 60 1HB TYR 9 1HB TYR 9 -2.023 16.248 -0.876 61 2HB TYR 9 2HB TYR 9 -2.473 15.784 0.761 62 HD1 TYR 9 HD1 TYR 9 0.382 17.011 -1.330 63 HD2 TYR 9 HD2 TYR 9 -1.166 16.472 2.660 64 HE1 TYR 9 HE1 TYR 9 2.248 18.364 -0.419 65 HE2 TYR 9 HE2 TYR 9 0.711 17.809 3.567 66 HH TYR 9 HH TYR 9 3.242 19.233 1.467 67 H LYS 10 H LYS 10 1.261 13.922 0.039 68 HA LYS 10 HA LYS 10 1.278 13.443 2.916 69 1HB LYS 10 1HB LYS 10 2.372 11.235 2.696 70 2HB LYS 10 2HB LYS 10 0.688 11.197 2.207 71 1HG LYS 10 1HG LYS 10 2.755 11.638 0.044 72 2HG LYS 10 2HG LYS 10 2.630 10.036 0.777 73 1HD LYS 10 1HD LYS 10 0.331 9.797 0.153 74 2HD LYS 10 2HD LYS 10 0.220 11.470 -0.414 75 1HE LYS 10 1HE LYS 10 1.848 11.040 -2.185 76 2HE LYS 10 2HE LYS 10 2.053 9.371 -1.625 77 1HZ LYS 10 1HZ LYS 10 -0.439 10.550 -2.630 78 2HZ LYS 10 2HZ LYS 10 0.545 9.515 -3.455 79 3HZ LYS 10 3HZ LYS 10 -0.255 8.997 -2.109 80 H LYS 11 H LYS 11 2.257 15.551 1.522 81 HA LYS 11 HA LYS 11 4.028 16.802 0.991 82 1HB LYS 11 1HB LYS 11 4.965 16.052 3.132 83 2HB LYS 11 2HB LYS 11 5.795 14.712 2.338 84 1HG LYS 11 1HG LYS 11 6.898 16.487 0.824 85 2HG LYS 11 2HG LYS 11 6.260 17.691 1.954 86 1HD LYS 11 1HD LYS 11 8.121 15.361 2.619 87 2HD LYS 11 2HD LYS 11 8.604 17.056 2.445 88 1HE LYS 11 1HE LYS 11 7.123 17.653 4.370 89 2HE LYS 11 2HE LYS 11 6.751 15.929 4.593 90 1HZ LYS 11 1HZ LYS 11 9.062 15.528 4.948 91 2HZ LYS 11 2HZ LYS 11 9.416 17.127 4.759 92 3HZ LYS 11 3HZ LYS 11 8.488 16.632 6.029 93 H GLY 12 H GLY 12 5.954 13.866 0.577 94 1HA GLY 12 1HA GLY 12 4.994 13.096 -1.960 95 2HA GLY 12 2HA GLY 12 6.463 14.075 -2.194 96 H ASP 13 H ASP 13 5.793 12.045 0.639 97 HA ASP 13 HA ASP 13 6.951 10.475 1.704 98 1HB ASP 13 1HB ASP 13 7.442 9.336 -1.083 99 2HB ASP 13 2HB ASP 13 7.644 8.495 0.453 100 H ASP 14 H ASP 14 8.452 12.920 0.661 101 HA ASP 14 HA ASP 14 10.510 13.764 0.369 102 1HB ASP 14 1HB ASP 14 11.241 11.640 2.430 103 2HB ASP 14 2HB ASP 14 12.201 13.071 2.029 104 H ALA 15 H ALA 15 9.845 12.002 -1.683 105 HA ALA 15 HA ALA 15 12.392 11.084 -2.717 106 1HB ALA 15 1HB ALA 15 10.338 9.053 -1.724 107 2HB ALA 15 2HB ALA 15 11.751 8.664 -2.725 108 3HB ALA 15 3HB ALA 15 11.974 9.285 -1.084 109 H SER 16 H SER 16 11.674 12.487 -4.411 110 HA SER 16 HA SER 16 9.254 11.761 -5.920 111 1HB SER 16 1HB SER 16 9.788 14.108 -5.453 112 2HB SER 16 2HB SER 16 11.289 13.977 -6.379 113 HG SER 16 HG SER 16 9.961 13.426 -8.196 114 H TYR 17 H TYR 17 11.768 12.837 -7.989 115 HA TYR 17 HA TYR 17 12.751 10.169 -8.710 116 1HB TYR 17 1HB TYR 17 10.964 11.808 -10.533 117 2HB TYR 17 2HB TYR 17 12.027 10.519 -11.098 118 HD1 TYR 17 HD1 TYR 17 11.819 8.182 -10.035 119 HD2 TYR 17 HD2 TYR 17 8.761 11.209 -9.757 120 HE1 TYR 17 HE1 TYR 17 10.179 6.463 -9.329 121 HE2 TYR 17 HE2 TYR 17 7.107 9.476 -9.125 122 HH TYR 17 HH TYR 17 7.993 6.015 -8.791 123 H PHE 18 H PHE 18 14.463 11.575 -7.672 124 HA PHE 18 HA PHE 18 16.267 12.052 -9.878 125 1HB PHE 18 1HB PHE 18 15.475 14.345 -9.643 126 2HB PHE 18 2HB PHE 18 15.722 14.301 -7.901 127 HD1 PHE 18 HD1 PHE 18 17.599 13.832 -11.139 128 HD2 PHE 18 HD2 PHE 18 17.790 15.093 -7.018 129 HE1 PHE 18 HE1 PHE 18 19.989 14.430 -11.426 130 HE2 PHE 18 HE2 PHE 18 20.179 15.677 -7.311 131 HZ PHE 18 1HZ PHE 18 21.284 15.345 -9.512 132 H GLU 19 H GLU 19 17.195 10.175 -9.112 133 HA GLU 19 HA GLU 19 18.766 8.993 -8.113 134 1HB GLU 19 1HB GLU 19 19.508 11.548 -6.618 135 2HB GLU 19 2HB GLU 19 20.515 10.116 -6.771 136 1HG GLU 19 1HG GLU 19 20.527 10.347 -9.236 137 2HG GLU 19 2HG GLU 19 19.556 11.822 -9.113 138 HA PRO 20 HA PRO 20 16.867 7.341 -4.524 139 1HB PRO 20 1HB PRO 20 18.791 5.757 -3.378 140 2HB PRO 20 2HB PRO 20 18.039 5.415 -4.959 141 1HG PRO 20 1HG PRO 20 20.671 6.812 -4.494 142 2HG PRO 20 2HG PRO 20 20.311 5.415 -5.554 143 1HD PRO 20 1HD PRO 20 20.375 7.920 -6.553 144 2HD PRO 20 2HD PRO 20 19.110 6.783 -7.089 145 H THR 21 H THR 21 16.431 9.250 -3.376 146 HA THR 21 HA THR 21 18.336 10.464 -1.548 147 HB THR 21 HB THR 21 16.313 11.701 -0.752 148 HG1 THR 21 HG1 THR 21 14.411 11.433 -1.962 149 1HG2 THR 21 1HG2 THR 21 15.996 13.020 -2.782 150 2HG2 THR 21 2HG2 THR 21 17.704 12.574 -2.612 151 H GLY 22 H GLY 22 15.376 8.438 -1.205 152 1HA GLY 22 1HA GLY 22 16.472 6.694 0.663 153 2HA GLY 22 2HA GLY 22 15.635 7.955 1.598 154 HA PRO 23 HA PRO 23 12.534 4.792 -0.132 155 1HB PRO 23 1HB PRO 23 12.353 2.894 1.809 156 2HB PRO 23 2HB PRO 23 13.696 2.946 0.647 157 1HG PRO 23 1HG PRO 23 13.662 4.149 3.429 158 2HG PRO 23 2HG PRO 23 14.838 2.952 2.787 159 1HD PRO 23 1HD PRO 23 15.335 5.632 2.747 160 2HD PRO 23 2HD PRO 23 15.824 4.580 1.384 161 H TYR 24 H TYR 24 10.558 3.874 1.213 162 HA TYR 24 HA TYR 24 9.554 5.403 3.433 163 1HB TYR 24 1HB TYR 24 7.662 6.442 2.181 164 2HB TYR 24 2HB TYR 24 9.221 7.111 1.750 165 HD1 TYR 24 HD1 TYR 24 6.444 4.933 0.582 166 HD2 TYR 24 HD2 TYR 24 10.137 6.886 -0.490 167 HE1 TYR 24 HE1 TYR 24 6.053 4.381 -1.788 168 HE2 TYR 24 HE2 TYR 24 9.701 6.396 -2.878 169 HH TYR 24 HH TYR 24 8.324 5.337 -4.393 170 H LEU 25 H LEU 25 6.986 4.865 3.439 171 HA LEU 25 HA LEU 25 6.388 2.150 2.530 172 1HB LEU 25 1HB LEU 25 7.889 2.060 4.621 173 2HB LEU 25 2HB LEU 25 6.528 2.691 5.531 174 HG LEU 25 HG LEU 25 6.551 0.117 3.872 175 1HD1 LEU 25 1HD1 LEU 25 8.095 0.004 5.784 176 2HD1 LEU 25 2HD1 LEU 25 6.802 0.539 6.880 177 3HD1 LEU 25 3HD1 LEU 25 6.686 -1.032 6.056 178 1HD2 LEU 25 1HD2 LEU 25 4.512 1.167 5.876 179 2HD2 LEU 25 2HD2 LEU 25 4.253 0.944 4.125 180 3HD2 LEU 25 3HD2 LEU 25 4.502 -0.459 5.165 181 H MET 26 H MET 26 4.757 3.351 1.411 182 HA MET 26 HA MET 26 2.864 4.945 2.930 183 1HB MET 26 1HB MET 26 3.472 5.704 0.761 184 2HB MET 26 2HB MET 26 2.924 4.197 -0.004 185 1HG MET 26 1HG MET 26 0.646 4.658 0.446 186 2HG MET 26 2HG MET 26 1.042 5.792 1.739 187 1HE MET 26 1HE MET 26 1.202 5.281 -2.127 188 2HE MET 26 2HE MET 26 1.491 6.940 -2.702 189 3HE MET 26 3HE MET 26 2.771 6.079 -1.822 190 H VAL 27 H VAL 27 1.224 4.164 4.013 191 HA VAL 27 HA VAL 27 0.204 1.404 3.547 192 HB VAL 27 HB VAL 27 0.232 3.228 5.976 193 1HG1 VAL 27 1HG1 VAL 27 -1.753 1.720 5.973 194 2HG1 VAL 27 2HG1 VAL 27 -0.673 0.321 5.781 195 3HG1 VAL 27 3HG1 VAL 27 -0.603 1.320 7.246 196 1HG2 VAL 27 1HG2 VAL 27 2.455 2.282 5.390 197 2HG2 VAL 27 2HG2 VAL 27 1.830 1.597 6.886 198 3HG2 VAL 27 3HG2 VAL 27 1.757 0.650 5.383 199 H ASN 28 H ASN 28 -1.452 1.630 2.115 200 HA ASN 28 HA ASN 28 -3.841 3.183 2.819 201 1HB ASN 28 1HB ASN 28 -1.928 3.849 0.544 202 2HB ASN 28 2HB ASN 28 -3.630 4.200 0.371 203 1HD2 ASN 28 1HD2 ASN 28 -3.694 6.708 3.029 204 2HD2 ASN 28 2HD2 ASN 28 -4.619 5.320 2.500 205 H VAL 29 H VAL 29 -5.358 3.026 0.725 206 HA VAL 29 HA VAL 29 -5.140 0.373 -0.577 207 HB VAL 29 HB VAL 29 -7.477 -0.126 -0.186 208 1HG1 VAL 29 1HG1 VAL 29 -5.793 -0.760 1.558 209 2HG1 VAL 29 2HG1 VAL 29 -6.354 0.644 2.508 210 3HG1 VAL 29 3HG1 VAL 29 -7.472 -0.670 2.113 211 1HG2 VAL 29 1HG2 VAL 29 -7.597 2.544 1.244 212 2HG2 VAL 29 2HG2 VAL 29 -8.555 2.009 -0.156 213 3HG2 VAL 29 3HG2 VAL 29 -8.822 1.273 1.426 214 H THR 30 H THR 30 -7.477 0.563 -2.090 215 HA THR 30 HA THR 30 -7.489 3.234 -3.371 216 HB THR 30 HB THR 30 -7.453 0.647 -4.976 217 HG1 THR 30 HG1 THR 30 -5.416 2.567 -4.543 218 1HG2 THR 30 1HG2 THR 30 -7.113 3.568 -5.821 219 2HG2 THR 30 2HG2 THR 30 -7.213 2.152 -6.885 220 H GLY 31 H GLY 31 -9.400 3.812 -2.546 221 1HA GLY 31 1HA GLY 31 -11.547 1.988 -1.962 222 2HA GLY 31 2HA GLY 31 -11.506 3.746 -1.766 223 H VAL 32 H VAL 32 -12.160 1.114 -4.045 224 HA VAL 32 HA VAL 32 -13.427 3.003 -5.962 225 HB VAL 32 HB VAL 32 -13.305 1.164 -7.558 226 1HG1 VAL 32 1HG1 VAL 32 -11.472 2.816 -7.430 227 2HG1 VAL 32 2HG1 VAL 32 -10.624 1.759 -6.280 228 3HG1 VAL 32 3HG1 VAL 32 -10.898 1.220 -7.946 229 1HG2 VAL 32 1HG2 VAL 32 -13.342 -0.760 -5.934 230 2HG2 VAL 32 2HG2 VAL 32 -12.069 -0.850 -7.158 231 3HG2 VAL 32 3HG2 VAL 32 -11.662 -0.365 -5.506 232 H ASP 33 H ASP 33 -15.292 2.221 -7.119 233 HA ASP 33 HA ASP 33 -17.438 1.271 -5.387 234 1HB ASP 33 1HB ASP 33 -17.625 3.123 -7.098 235 2HB ASP 33 2HB ASP 33 -17.333 1.936 -8.369 236 H SER 34 H SER 34 -18.937 -0.444 -6.530 237 HA SER 34 HA SER 34 -17.727 -2.961 -6.985 238 1HB SER 34 1HB SER 34 -20.101 -2.636 -6.410 239 2HB SER 34 2HB SER 34 -20.382 -1.828 -7.967 240 HG SER 34 HG SER 34 -20.932 -4.043 -8.014 241 H LYS 35 H LYS 35 -18.638 -0.304 -9.210 242 HA LYS 35 HA LYS 35 -17.675 -1.784 -11.573 243 1HB LYS 35 1HB LYS 35 -18.923 0.971 -11.356 244 2HB LYS 35 2HB LYS 35 -18.708 0.010 -12.826 245 1HG LYS 35 1HG LYS 35 -20.570 -0.610 -10.489 246 2HG LYS 35 2HG LYS 35 -21.010 -0.032 -12.095 247 1HD LYS 35 1HD LYS 35 -20.127 -2.148 -13.094 248 2HD LYS 35 2HD LYS 35 -19.723 -2.730 -11.467 249 1HE LYS 35 1HE LYS 35 -21.808 -3.721 -12.130 250 2HE LYS 35 2HE LYS 35 -22.109 -2.579 -10.808 251 1HZ LYS 35 1HZ LYS 35 -22.537 -2.050 -13.666 252 2HZ LYS 35 2HZ LYS 35 -23.713 -2.399 -12.563 253 3HZ LYS 35 3HZ LYS 35 -22.854 -0.999 -12.434 254 H GLY 36 H GLY 36 -15.844 -0.546 -9.331 255 1HA GLY 36 1HA GLY 36 -13.615 -0.190 -9.508 256 2HA GLY 36 2HA GLY 36 -13.756 -0.027 -11.254 257 H ASN 37 H ASN 37 -15.943 2.227 -10.123 258 HA ASN 37 HA ASN 37 -14.189 4.412 -10.803 259 1HB ASN 37 1HB ASN 37 -17.028 4.380 -9.698 260 2HB ASN 37 2HB ASN 37 -16.179 5.798 -10.328 261 1HD2 ASN 37 1HD2 ASN 37 -17.770 3.001 -12.903 262 2HD2 ASN 37 2HD2 ASN 37 -17.697 2.713 -11.179 263 H GLU 38 H GLU 38 -12.877 5.526 -9.458 264 HA GLU 38 HA GLU 38 -12.552 4.865 -6.733 265 1HB GLU 38 1HB GLU 38 -10.778 5.672 -8.210 266 2HB GLU 38 2HB GLU 38 -11.515 7.282 -8.246 267 1HG GLU 38 1HG GLU 38 -11.204 7.486 -5.799 268 2HG GLU 38 2HG GLU 38 -10.574 5.828 -5.731 269 H LEU 39 H LEU 39 -14.222 5.193 -5.329 270 HA LEU 39 HA LEU 39 -15.869 7.591 -5.326 271 1HB LEU 39 1HB LEU 39 -15.581 5.340 -3.286 272 2HB LEU 39 2HB LEU 39 -16.817 6.605 -3.269 273 HG LEU 39 HG LEU 39 -16.449 4.459 -5.406 274 1HD1 LEU 39 1HD1 LEU 39 -17.278 3.591 -3.264 275 2HD1 LEU 39 2HD1 LEU 39 -18.565 4.815 -3.246 276 3HD1 LEU 39 3HD1 LEU 39 -18.550 3.549 -4.492 277 1HD2 LEU 39 1HD2 LEU 39 -18.564 6.643 -5.118 278 2HD2 LEU 39 2HD2 LEU 39 -17.420 6.438 -6.468 279 3HD2 LEU 39 3HD2 LEU 39 -18.700 5.251 -6.211 280 H LEU 40 H LEU 40 -13.859 6.212 -2.685 281 HA LEU 40 HA LEU 40 -12.970 8.936 -1.890 282 1HB LEU 40 1HB LEU 40 -12.502 6.258 -0.536 283 2HB LEU 40 2HB LEU 40 -12.193 7.866 0.133 284 HG LEU 40 HG LEU 40 -14.913 6.619 -0.483 285 1HD1 LEU 40 1HD1 LEU 40 -13.749 5.747 1.530 286 2HD1 LEU 40 2HD1 LEU 40 -13.607 7.401 2.157 287 3HD1 LEU 40 3HD1 LEU 40 -15.209 6.663 1.941 288 1HD2 LEU 40 1HD2 LEU 40 -14.288 9.358 0.708 289 2HD2 LEU 40 2HD2 LEU 40 -15.042 9.065 -0.877 290 3HD2 LEU 40 3HD2 LEU 40 -15.893 8.615 0.605 291 H SER 41 H SER 41 -10.659 9.280 -1.594 292 HA SER 41 HA SER 41 -8.902 7.538 -3.294 293 1HB SER 41 1HB SER 41 -9.455 9.711 -4.334 294 2HB SER 41 2HB SER 41 -8.708 10.537 -2.956 295 HG SER 41 HG SER 41 -7.451 8.661 -4.673 296 HA PRO 42 HA PRO 42 -7.324 7.661 1.129 297 1HB PRO 42 1HB PRO 42 -7.121 5.002 1.570 298 2HB PRO 42 2HB PRO 42 -8.659 5.897 1.733 299 1HG PRO 42 1HG PRO 42 -7.734 4.300 -0.669 300 2HG PRO 42 2HG PRO 42 -9.310 4.214 0.181 301 1HD PRO 42 1HD PRO 42 -8.969 5.696 -2.058 302 2HD PRO 42 2HD PRO 42 -10.009 6.246 -0.705 303 H HIS 43 H HIS 43 -5.444 8.625 0.248 304 HA HIS 43 HA HIS 43 -3.169 6.863 -0.398 305 1HB HIS 43 1HB HIS 43 -4.291 8.924 -2.320 306 2HB HIS 43 2HB HIS 43 -2.751 8.066 -2.532 307 HD1 HIS 43 HD1 HIS 43 -6.425 7.727 -3.204 308 HD2 HIS 43 HD2 HIS 43 -2.966 5.335 -3.074 309 HE1 HIS 43 HE1 HIS 43 -7.006 5.542 -4.382 310 H TYR 44 H TYR 44 -3.298 8.228 1.914 311 HA TYR 44 HA TYR 44 -1.525 10.560 1.574 312 1HB TYR 44 1HB TYR 44 -3.154 12.013 2.841 313 2HB TYR 44 2HB TYR 44 -3.562 11.635 1.183 314 HD1 TYR 44 HD1 TYR 44 -4.271 10.400 4.684 315 HD2 TYR 44 HD2 TYR 44 -5.761 11.021 0.687 316 HE1 TYR 44 HE1 TYR 44 -6.348 9.185 5.270 317 HE2 TYR 44 HE2 TYR 44 -7.902 9.963 1.338 318 HH TYR 44 HH TYR 44 -8.362 8.357 4.495 319 H VAL 45 H VAL 45 -1.734 7.795 3.104 320 HA VAL 45 HA VAL 45 -0.649 8.915 5.661 321 HB VAL 45 HB VAL 45 -2.215 6.329 5.340 322 1HG1 VAL 45 1HG1 VAL 45 -1.067 7.772 7.778 323 2HG1 VAL 45 2HG1 VAL 45 -2.104 6.336 7.844 324 3HG1 VAL 45 3HG1 VAL 45 -0.498 6.227 7.114 325 1HG2 VAL 45 1HG2 VAL 45 -3.045 9.021 6.490 326 2HG2 VAL 45 2HG2 VAL 45 -3.800 8.108 5.155 327 3HG2 VAL 45 3HG2 VAL 45 -3.898 7.498 6.804 328 H GLU 46 H GLU 46 1.476 8.529 5.759 329 HA GLU 46 HA GLU 46 2.504 5.923 4.843 330 1HB GLU 46 1HB GLU 46 4.287 6.897 3.536 331 2HB GLU 46 2HB GLU 46 2.745 7.516 2.957 332 1HG GLU 46 1HG GLU 46 4.158 9.385 2.965 333 2HG GLU 46 2HG GLU 46 3.152 9.598 4.399 334 H PHE 47 H PHE 47 4.813 5.661 5.390 335 HA PHE 47 HA PHE 47 5.552 6.748 8.042 336 1HB PHE 47 1HB PHE 47 5.100 3.814 7.318 337 2HB PHE 47 2HB PHE 47 5.875 4.344 8.796 338 HD1 PHE 47 HD1 PHE 47 4.590 5.430 10.608 339 HD2 PHE 47 HD2 PHE 47 2.663 4.034 7.016 340 HE1 PHE 47 HE1 PHE 47 2.390 5.511 11.752 341 HE2 PHE 47 HE2 PHE 47 0.466 4.086 8.178 342 HZ PHE 47 1HZ PHE 47 0.328 4.830 10.540 343 HA PRO 48 HA PRO 48 9.629 6.065 6.192 344 1HB PRO 48 1HB PRO 48 11.243 5.751 8.364 345 2HB PRO 48 2HB PRO 48 10.459 7.311 7.984 346 1HG PRO 48 1HG PRO 48 9.460 5.174 9.887 347 2HG PRO 48 2HG PRO 48 9.701 6.913 10.242 348 1HD PRO 48 1HD PRO 48 7.272 5.946 9.557 349 2HD PRO 48 2HD PRO 48 7.819 7.515 8.906 350 H ILE 49 H ILE 49 11.379 4.367 6.155 351 HA ILE 49 HA ILE 49 10.204 1.829 5.831 352 HB ILE 49 HB ILE 49 12.006 2.648 4.453 353 1HG1 ILE 49 1HG1 ILE 49 13.381 0.697 4.241 354 2HG1 ILE 49 2HG1 ILE 49 12.996 0.175 5.899 355 1HG2 ILE 49 1HG2 ILE 49 13.378 3.848 6.161 356 2HG2 ILE 49 2HG2 ILE 49 13.913 2.282 6.811 357 3HG2 ILE 49 3HG2 ILE 49 14.341 2.740 5.173 358 1HD1 ILE 49 1HD1 ILE 49 10.948 0.441 3.664 359 2HD1 ILE 49 2HD1 ILE 49 11.778 -1.070 4.097 360 3HD1 ILE 49 3HD1 ILE 49 10.695 -0.304 5.261 361 H LYS 50 H LYS 50 9.735 0.318 7.294 362 HA LYS 50 HA LYS 50 11.469 -0.183 9.643 363 1HB LYS 50 1HB LYS 50 8.525 0.548 9.817 364 2HB LYS 50 2HB LYS 50 9.423 -0.321 11.076 365 1HG LYS 50 1HG LYS 50 11.059 1.575 11.179 366 2HG LYS 50 2HG LYS 50 10.008 2.494 10.077 367 1HD LYS 50 1HD LYS 50 8.163 2.377 11.683 368 2HD LYS 50 2HD LYS 50 9.127 1.344 12.761 369 1HE LYS 50 1HE LYS 50 10.781 3.157 13.055 370 2HE LYS 50 2HE LYS 50 9.832 4.205 11.983 371 1HZ LYS 50 1HZ LYS 50 8.031 4.052 13.535 372 2HZ LYS 50 2HZ LYS 50 8.917 3.080 14.530 373 3HZ LYS 50 3HZ LYS 50 9.385 4.639 14.269 374 HA PRO 51 HA PRO 51 9.887 -4.014 7.589 375 1HB PRO 51 1HB PRO 51 12.201 -5.215 6.956 376 2HB PRO 51 2HB PRO 51 11.697 -3.741 6.093 377 1HG PRO 51 1HG PRO 51 13.595 -3.911 8.451 378 2HG PRO 51 2HG PRO 51 13.887 -3.123 6.871 379 1HD PRO 51 1HD PRO 51 12.962 -1.767 9.077 380 2HD PRO 51 2HD PRO 51 12.477 -1.319 7.418 381 H GLY 52 H GLY 52 10.985 -6.432 8.183 382 1HA GLY 52 1HA GLY 52 11.647 -7.901 9.863 383 2HA GLY 52 2HA GLY 52 11.569 -6.627 11.080 384 H THR 53 H THR 53 8.757 -5.994 9.685 385 HA THR 53 HA THR 53 7.165 -7.551 11.522 386 HB THR 53 HB THR 53 6.671 -5.211 10.986 387 HG1 THR 53 HG1 THR 53 4.654 -7.003 10.130 388 1HG2 THR 53 1HG2 THR 53 5.637 -4.558 8.875 389 2HG2 THR 53 2HG2 THR 53 7.265 -5.170 8.556 390 H THR 54 H THR 54 5.618 -9.113 11.024 391 HA THR 54 HA THR 54 6.044 -10.870 8.775 392 HB THR 54 1HB THR 54 3.803 -10.652 10.827 393 HG1 THR 54 HG1 THR 54 5.862 -11.132 11.659 394 1HG2 THR 54 1HG2 THR 54 4.475 -12.878 8.856 395 2HG2 THR 54 2HG2 THR 54 3.355 -13.041 10.226 396 H LEU 55 H LEU 55 4.641 -11.178 6.972 397 HA LEU 55 HA LEU 55 2.717 -9.022 6.364 398 1HB LEU 55 1HB LEU 55 5.280 -8.624 5.667 399 2HB LEU 55 2HB LEU 55 4.842 -9.667 4.328 400 HG LEU 55 HG LEU 55 4.620 -7.416 3.629 401 1HD1 LEU 55 1HD1 LEU 55 2.769 -8.901 2.892 402 2HD1 LEU 55 2HD1 LEU 55 1.770 -8.296 4.236 403 3HD1 LEU 55 3HD1 LEU 55 2.307 -7.189 2.969 404 1HD2 LEU 55 1HD2 LEU 55 4.532 -6.351 5.857 405 2HD2 LEU 55 2HD2 LEU 55 3.324 -5.695 4.742 406 3HD2 LEU 55 3HD2 LEU 55 2.825 -6.815 6.018 407 H THR 56 H THR 56 0.952 -9.983 5.749 408 HA THR 56 HA THR 56 0.783 -11.863 3.594 409 HB THR 56 HB THR 56 1.334 -13.566 5.141 410 HG1 THR 56 HG1 THR 56 -0.596 -14.698 5.374 411 1HG2 THR 56 1HG2 THR 56 -0.624 -12.321 7.114 412 2HG2 THR 56 2HG2 THR 56 0.211 -13.874 7.331 413 H LYS 57 H LYS 57 -1.656 -12.487 3.361 414 HA LYS 57 HA LYS 57 -3.188 -10.178 3.133 415 1HB LYS 57 1HB LYS 57 -5.035 -11.604 2.607 416 2HB LYS 57 2HB LYS 57 -3.553 -12.241 1.879 417 1HG LYS 57 1HG LYS 57 -3.387 -13.841 3.866 418 2HG LYS 57 2HG LYS 57 -5.012 -13.311 4.338 419 1HD LYS 57 1HD LYS 57 -4.256 -14.612 1.692 420 2HD LYS 57 2HD LYS 57 -5.039 -15.404 3.074 421 1HE LYS 57 1HE LYS 57 -6.967 -13.826 2.852 422 2HE LYS 57 2HE LYS 57 -6.220 -13.170 1.379 423 1HZ LYS 57 1HZ LYS 57 -7.014 -15.959 1.792 424 2HZ LYS 57 2HZ LYS 57 -7.825 -14.845 0.888 425 3HZ LYS 57 3HZ LYS 57 -6.322 -15.344 0.428 426 H GLU 58 H GLU 58 -3.127 -12.539 5.839 427 HA GLU 58 HA GLU 58 -5.235 -11.112 7.276 428 1HB GLU 58 1HB GLU 58 -5.149 -12.872 8.862 429 2HB GLU 58 2HB GLU 58 -5.142 -13.526 7.232 430 1HG GLU 58 1HG GLU 58 -3.638 -14.868 8.397 431 2HG GLU 58 2HG GLU 58 -2.613 -13.812 7.426 432 H LYS 59 H LYS 59 -1.982 -10.427 6.866 433 HA LYS 59 HA LYS 59 -1.964 -8.834 9.358 434 1HB LYS 59 1HB LYS 59 -0.542 -10.946 9.510 435 2HB LYS 59 2HB LYS 59 0.498 -10.256 8.278 436 1HG LYS 59 1HG LYS 59 1.442 -8.778 9.708 437 2HG LYS 59 2HG LYS 59 -0.068 -8.369 10.517 438 1HD LYS 59 1HD LYS 59 1.279 -11.046 11.028 439 2HD LYS 59 2HD LYS 59 1.809 -9.570 11.842 440 1HE LYS 59 1HE LYS 59 0.255 -10.777 13.258 441 2HE LYS 59 2HE LYS 59 -0.400 -9.199 12.801 442 1HZ LYS 59 1HZ LYS 59 -1.126 -11.768 11.582 443 2HZ LYS 59 2HZ LYS 59 -2.033 -10.929 12.672 444 3HZ LYS 59 3HZ LYS 59 -1.753 -10.299 11.177 445 H ILE 60 H ILE 60 -2.969 -7.805 7.136 446 HA ILE 60 HA ILE 60 -1.177 -5.620 6.630 447 HB ILE 60 HB ILE 60 -0.460 -7.445 4.985 448 1HG1 ILE 60 1HG1 ILE 60 0.414 -5.317 4.652 449 2HG1 ILE 60 2HG1 ILE 60 -0.169 -5.931 3.064 450 1HG2 ILE 60 1HG2 ILE 60 -2.776 -8.136 4.303 451 2HG2 ILE 60 2HG2 ILE 60 -2.881 -6.631 3.376 452 3HG2 ILE 60 3HG2 ILE 60 -1.644 -7.828 2.980 453 1HD1 ILE 60 1HD1 ILE 60 -2.291 -4.487 3.513 454 2HD1 ILE 60 2HD1 ILE 60 -1.318 -3.739 4.811 455 3HD1 ILE 60 3HD1 ILE 60 -0.790 -3.646 3.134 456 H GLU 61 H GLU 61 -4.179 -7.309 5.602 457 HA GLU 61 HA GLU 61 -5.581 -5.205 4.524 458 1HB GLU 61 1HB GLU 61 -6.252 -7.860 5.673 459 2HB GLU 61 2HB GLU 61 -7.560 -6.696 5.791 460 1HG GLU 61 1HG GLU 61 -7.832 -7.873 3.736 461 2HG GLU 61 2HG GLU 61 -7.405 -6.192 3.392 462 H TYR 62 H TYR 62 -5.555 -6.085 8.030 463 HA TYR 62 HA TYR 62 -7.491 -4.139 8.743 464 1HB TYR 62 1HB TYR 62 -6.851 -4.532 11.014 465 2HB TYR 62 2HB TYR 62 -6.989 -6.041 10.135 466 HD1 TYR 62 HD1 TYR 62 -4.543 -3.578 11.549 467 HD2 TYR 62 HD2 TYR 62 -5.184 -7.611 10.158 468 HE1 TYR 62 HE1 TYR 62 -2.335 -4.232 12.436 469 HE2 TYR 62 HE2 TYR 62 -3.064 -8.301 11.237 470 HH TYR 62 HH TYR 62 -0.845 -5.949 12.782 471 H TYR 63 H TYR 63 -3.925 -3.942 8.551 472 HA TYR 63 HA TYR 63 -3.653 -1.534 9.951 473 1HB TYR 63 1HB TYR 63 -1.857 -3.150 9.578 474 2HB TYR 63 2HB TYR 63 -1.899 -2.835 7.846 475 HD1 TYR 63 HD1 TYR 63 -1.985 -0.164 10.516 476 HD2 TYR 63 HD2 TYR 63 0.406 -2.288 7.611 477 HE1 TYR 63 HE1 TYR 63 -0.148 1.438 10.853 478 HE2 TYR 63 HE2 TYR 63 2.273 -0.718 8.018 479 HH TYR 63 HH TYR 63 2.004 2.039 10.295 480 H VAL 64 H VAL 64 -3.933 -2.118 6.414 481 HA VAL 64 HA VAL 64 -3.679 0.654 5.698 482 HB VAL 64 HB VAL 64 -4.461 -0.054 3.496 483 1HG1 VAL 64 1HG1 VAL 64 -2.236 -1.685 4.738 484 2HG1 VAL 64 2HG1 VAL 64 -2.520 -1.531 2.989 485 3HG1 VAL 64 3HG1 VAL 64 -2.118 -0.102 3.950 486 1HG2 VAL 64 1HG2 VAL 64 -6.012 -1.890 4.113 487 2HG2 VAL 64 2HG2 VAL 64 -4.786 -2.423 2.953 488 3HG2 VAL 64 3HG2 VAL 64 -4.628 -2.864 4.652 489 H GLU 65 H GLU 65 -6.451 -1.317 6.677 490 HA GLU 65 HA GLU 65 -8.421 0.655 5.860 491 1HB GLU 65 1HB GLU 65 -8.491 -1.752 7.715 492 2HB GLU 65 2HB GLU 65 -9.880 -0.686 7.482 493 1HG GLU 65 1HG GLU 65 -8.463 -2.178 5.231 494 2HG GLU 65 2HG GLU 65 -9.951 -2.696 6.030 495 H TRP 66 H TRP 66 -6.518 0.032 8.831 496 HA TRP 66 HA TRP 66 -7.913 2.001 10.433 497 1HB TRP 66 1HB TRP 66 -5.125 0.875 10.737 498 2HB TRP 66 2HB TRP 66 -6.046 1.747 11.958 499 HD1 TRP 66 HD1 TRP 66 -4.855 -0.910 12.693 500 HE1 TRP 66 HE1 TRP 66 -6.227 -2.953 13.314 501 HE3 TRP 66 HE3 TRP 66 -9.315 0.324 10.387 502 HZ2 TRP 66 HZ2 TRP 66 -8.883 -3.970 12.853 503 HZ3 TRP 66 HZ3 TRP 66 -11.193 -1.236 10.468 504 HH2 TRP 66 HH2 TRP 66 -11.010 -3.386 11.696 505 H ALA 67 H ALA 67 -5.282 2.156 8.070 506 HA ALA 67 HA ALA 67 -4.177 4.646 8.854 507 1HB ALA 67 1HB ALA 67 -4.287 3.303 6.120 508 2HB ALA 67 2HB ALA 67 -3.250 4.666 6.568 509 3HB ALA 67 3HB ALA 67 -3.039 3.100 7.370 510 H LEU 68 H LEU 68 -6.509 3.947 6.164 511 HA LEU 68 HA LEU 68 -7.097 6.686 5.691 512 1HB LEU 68 1HB LEU 68 -8.769 5.916 4.174 513 2HB LEU 68 2HB LEU 68 -7.333 4.902 4.055 514 HG LEU 68 HG LEU 68 -8.703 3.373 5.791 515 1HD1 LEU 68 1HD1 LEU 68 -10.904 4.747 4.169 516 2HD1 LEU 68 2HD1 LEU 68 -11.107 3.323 5.205 517 3HD1 LEU 68 3HD1 LEU 68 -10.714 4.885 5.923 518 1HD2 LEU 68 1HD2 LEU 68 -9.221 3.464 2.806 519 2HD2 LEU 68 2HD2 LEU 68 -7.862 2.647 3.622 520 3HD2 LEU 68 3HD2 LEU 68 -9.519 2.074 3.871 521 H ASP 69 H ASP 69 -8.344 4.458 8.103 522 HA ASP 69 HA ASP 69 -10.846 5.630 8.578 523 1HB ASP 69 1HB ASP 69 -10.107 3.433 9.428 524 2HB ASP 69 2HB ASP 69 -9.069 4.255 10.605 525 H ALA 70 H ALA 70 -7.631 6.806 9.345 526 HA ALA 70 HA ALA 70 -8.065 8.448 11.555 527 1HB ALA 70 1HB ALA 70 -5.866 7.992 10.569 528 2HB ALA 70 2HB ALA 70 -6.295 8.930 9.122 529 3HB ALA 70 3HB ALA 70 -6.149 9.740 10.696 530 H THR 71 H THR 71 -8.414 9.328 8.059 531 HA THR 71 HA THR 71 -9.377 11.976 8.686 532 HB THR 71 HB THR 71 -9.701 12.159 6.243 533 HG1 THR 71 HG1 THR 71 -9.010 10.425 4.963 534 1HG2 THR 71 1HG2 THR 71 -7.012 10.923 7.003 535 2HG2 THR 71 2HG2 THR 71 -7.341 12.018 5.645 536 H ALA 72 H ALA 72 -11.022 9.398 6.788 537 HA ALA 72 HA ALA 72 -13.663 10.352 7.778 538 1HB ALA 72 1HB ALA 72 -12.860 8.718 5.345 539 2HB ALA 72 2HB ALA 72 -14.526 9.117 5.821 540 3HB ALA 72 3HB ALA 72 -13.395 10.412 5.372 541 H TYR 73 H TYR 73 -15.187 8.829 8.582 542 HA TYR 73 HA TYR 73 -14.545 6.045 9.023 543 1HB TYR 73 1HB TYR 73 -14.289 6.245 11.510 544 2HB TYR 73 2HB TYR 73 -12.947 6.851 10.587 545 HD1 TYR 73 HD1 TYR 73 -12.419 9.275 10.456 546 HD2 TYR 73 HD2 TYR 73 -15.582 7.758 12.970 547 HE1 TYR 73 HE1 TYR 73 -12.561 11.458 11.600 548 HE2 TYR 73 HE2 TYR 73 -15.721 9.946 14.103 549 HH TYR 73 HH TYR 73 -13.639 12.718 13.191 550 H LYS 74 H LYS 74 -16.782 7.255 7.868 551 HA LYS 74 HA LYS 74 -18.908 6.598 9.861 552 1HB LYS 74 1HB LYS 74 -18.726 9.134 8.196 553 2HB LYS 74 2HB LYS 74 -20.195 8.562 9.005 554 1HG LYS 74 1HG LYS 74 -19.022 8.658 11.191 555 2HG LYS 74 2HG LYS 74 -17.577 9.294 10.379 556 1HD LYS 74 1HD LYS 74 -18.859 11.258 9.593 557 2HD LYS 74 2HD LYS 74 -20.328 10.601 10.335 558 1HE LYS 74 1HE LYS 74 -19.420 12.299 11.794 559 2HE LYS 74 2HE LYS 74 -19.243 10.718 12.576 560 1HZ LYS 74 1HZ LYS 74 -16.958 10.710 11.852 561 2HZ LYS 74 2HZ LYS 74 -17.140 12.187 11.145 562 3HZ LYS 74 3HZ LYS 74 -17.276 12.034 12.780 563 H GLU 75 H GLU 75 -18.775 7.808 6.488 564 HA GLU 75 HA GLU 75 -21.144 6.529 5.783 565 1HB GLU 75 1HB GLU 75 -20.305 8.488 4.670 566 2HB GLU 75 2HB GLU 75 -18.898 7.608 4.043 567 1HG GLU 75 1HG GLU 75 -20.367 6.194 2.667 568 2HG GLU 75 2HG GLU 75 -21.802 6.944 3.388 569 H PHE 76 H PHE 76 -17.810 5.589 4.730 570 HA PHE 76 HA PHE 76 -18.687 3.396 3.219 571 1HB PHE 76 1HB PHE 76 -16.348 2.701 3.154 572 2HB PHE 76 2HB PHE 76 -16.558 4.414 2.826 573 HD1 PHE 76 HD1 PHE 76 -15.276 1.916 5.252 574 HD2 PHE 76 HD2 PHE 76 -15.666 6.115 4.348 575 HE1 PHE 76 HE1 PHE 76 -13.566 2.446 6.966 576 HE2 PHE 76 HE2 PHE 76 -13.925 6.629 6.015 577 HZ PHE 76 1HZ PHE 76 -12.893 4.802 7.362 578 H ARG 77 H ARG 77 -18.706 1.231 3.512 579 HA ARG 77 HA ARG 77 -18.690 0.111 6.277 580 1HB ARG 77 1HB ARG 77 -20.955 0.223 5.881 581 2HB ARG 77 2HB ARG 77 -20.779 0.140 4.135 582 1HG ARG 77 1HG ARG 77 -21.881 -1.843 4.895 583 2HG ARG 77 2HG ARG 77 -20.304 -2.264 4.247 584 1HD ARG 77 1HD ARG 77 -19.731 -1.932 6.949 585 2HD ARG 77 2HD ARG 77 -21.382 -2.543 7.012 586 HE ARG 77 HE ARG 77 -18.989 -3.989 6.415 587 1HH1 ARG 77 1HH1 ARG 77 -22.402 -3.864 5.394 588 2HH1 ARG 77 2HH1 ARG 77 -22.380 -5.494 4.765 589 1HH2 ARG 77 1HH2 ARG 77 -19.005 -6.100 5.584 590 2HH2 ARG 77 2HH2 ARG 77 -20.461 -6.765 4.880 591 H VAL 78 H VAL 78 -18.330 -0.448 2.774 592 HA VAL 78 HA VAL 78 -16.879 -1.604 1.603 593 HB VAL 78 HB VAL 78 -15.553 -2.661 4.126 594 1HG1 VAL 78 1HG1 VAL 78 -14.581 -2.427 1.253 595 2HG1 VAL 78 2HG1 VAL 78 -13.624 -2.946 2.650 596 3HG1 VAL 78 3HG1 VAL 78 -14.978 -3.937 2.107 597 1HG2 VAL 78 1HG2 VAL 78 -14.959 -0.179 2.448 598 2HG2 VAL 78 2HG2 VAL 78 -15.494 -0.185 4.140 599 3HG2 VAL 78 3HG2 VAL 78 -13.906 -0.831 3.720 600 H VAL 79 H VAL 79 -17.310 -3.300 0.416 601 HA VAL 79 HA VAL 79 -19.097 -5.404 1.314 602 HB VAL 79 HB VAL 79 -17.581 -5.036 -1.312 603 1HG1 VAL 79 1HG1 VAL 79 -19.962 -6.801 -0.588 604 2HG1 VAL 79 2HG1 VAL 79 -19.310 -6.565 -2.223 605 3HG1 VAL 79 3HG1 VAL 79 -18.327 -7.368 -0.994 606 1HG2 VAL 79 1HG2 VAL 79 -20.423 -4.258 -0.557 607 2HG2 VAL 79 2HG2 VAL 79 -19.084 -3.142 -0.924 608 3HG2 VAL 79 3HG2 VAL 79 -19.730 -4.192 -2.189 609 H GLU 80 H GLU 80 -15.777 -5.341 -0.083 610 HA GLU 80 HA GLU 80 -14.903 -7.557 1.642 611 1HB GLU 80 1HB GLU 80 -16.055 -8.696 -0.199 612 2HB GLU 80 2HB GLU 80 -15.120 -7.779 -1.392 613 1HG GLU 80 1HG GLU 80 -13.034 -8.834 -0.596 614 2HG GLU 80 2HG GLU 80 -13.931 -9.693 0.668 615 H LEU 81 H LEU 81 -12.872 -7.218 2.202 616 HA LEU 81 HA LEU 81 -11.033 -5.464 0.709 617 1HB LEU 81 1HB LEU 81 -10.510 -7.360 3.038 618 2HB LEU 81 2HB LEU 81 -9.447 -6.082 2.433 619 HG LEU 81 HG LEU 81 -12.171 -5.629 3.744 620 1HD1 LEU 81 1HD1 LEU 81 -10.475 -6.574 5.299 621 2HD1 LEU 81 2HD1 LEU 81 -9.373 -5.242 4.882 622 3HD1 LEU 81 3HD1 LEU 81 -10.914 -4.906 5.701 623 1HD2 LEU 81 1HD2 LEU 81 -11.488 -3.801 2.182 624 2HD2 LEU 81 2HD2 LEU 81 -11.472 -3.284 3.873 625 3HD2 LEU 81 3HD2 LEU 81 -9.942 -3.663 3.051 626 H ASP 82 H ASP 82 -10.011 -6.291 -1.088 627 HA ASP 82 HA ASP 82 -10.529 -8.892 -1.938 628 1HB ASP 82 1HB ASP 82 -8.388 -6.941 -2.861 629 2HB ASP 82 2HB ASP 82 -8.717 -8.480 -3.650 630 HA PRO 83 HA PRO 83 -7.543 -11.245 0.377 631 1HB PRO 83 1HB PRO 83 -7.396 -13.547 -1.110 632 2HB PRO 83 2HB PRO 83 -8.834 -13.090 -0.148 633 1HG PRO 83 1HG PRO 83 -8.375 -12.644 -3.108 634 2HG PRO 83 2HG PRO 83 -9.808 -13.364 -2.315 635 1HD PRO 83 1HD PRO 83 -9.744 -10.752 -3.033 636 2HD PRO 83 2HD PRO 83 -10.521 -11.251 -1.500 637 H SER 84 H SER 84 -7.094 -10.749 -3.122 638 HA SER 84 HA SER 84 -4.217 -11.276 -3.061 639 1HB SER 84 1HB SER 84 -6.076 -10.267 -5.248 640 2HB SER 84 2HB SER 84 -4.365 -10.703 -5.453 641 HG SER 84 HG SER 84 -4.915 -12.801 -4.720 642 H ALA 85 H ALA 85 -3.915 -9.623 -1.300 643 HA ALA 85 HA ALA 85 -3.869 -6.814 -1.947 644 1HB ALA 85 1HB ALA 85 -3.787 -7.694 0.365 645 2HB ALA 85 2HB ALA 85 -2.208 -8.432 0.031 646 3HB ALA 85 3HB ALA 85 -2.386 -6.664 0.010 647 H LYS 86 H LYS 86 -1.711 -5.620 -2.150 648 HA LYS 86 HA LYS 86 0.271 -7.049 -3.787 649 1HB LYS 86 1HB LYS 86 -0.180 -5.688 -5.771 650 2HB LYS 86 2HB LYS 86 -1.489 -6.780 -5.345 651 1HG LYS 86 1HG LYS 86 -2.699 -4.874 -4.239 652 2HG LYS 86 2HG LYS 86 -1.459 -3.774 -4.864 653 1HD LYS 86 1HD LYS 86 -3.123 -5.628 -6.617 654 2HD LYS 86 2HD LYS 86 -3.648 -3.999 -6.181 655 1HE LYS 86 1HE LYS 86 -1.034 -4.573 -7.640 656 2HE LYS 86 2HE LYS 86 -2.563 -4.155 -8.427 657 1HZ LYS 86 1HZ LYS 86 -2.586 -2.108 -7.234 658 2HZ LYS 86 2HZ LYS 86 -1.159 -2.466 -6.491 659 3HZ LYS 86 3HZ LYS 86 -1.204 -2.244 -8.123 660 H ILE 87 H ILE 87 2.162 -6.364 -3.361 661 HA ILE 87 HA ILE 87 2.739 -3.708 -2.180 662 HB ILE 87 HB ILE 87 4.277 -6.317 -2.523 663 1HG1 ILE 87 1HG1 ILE 87 4.539 -6.262 -0.120 664 2HG1 ILE 87 2HG1 ILE 87 3.707 -4.678 -0.039 665 1HG2 ILE 87 1HG2 ILE 87 5.345 -3.607 -1.644 666 2HG2 ILE 87 2HG2 ILE 87 6.178 -5.147 -1.349 667 3HG2 ILE 87 3HG2 ILE 87 5.925 -4.600 -3.000 668 1HD1 ILE 87 1HD1 ILE 87 2.393 -7.258 -0.986 669 2HD1 ILE 87 2HD1 ILE 87 2.352 -6.683 0.688 670 3HD1 ILE 87 3HD1 ILE 87 1.588 -5.717 -0.574 671 H GLU 88 H GLU 88 3.340 -2.117 -3.571 672 HA GLU 88 HA GLU 88 4.685 -2.812 -6.171 673 1HB GLU 88 1HB GLU 88 2.837 -0.524 -5.420 674 2HB GLU 88 2HB GLU 88 3.946 -0.464 -6.795 675 1HG GLU 88 1HG GLU 88 1.749 -1.120 -7.547 676 2HG GLU 88 2HG GLU 88 2.906 -2.432 -7.795 677 H VAL 89 H VAL 89 6.619 -3.099 -4.790 678 HA VAL 89 HA VAL 89 7.640 -0.801 -3.380 679 HB VAL 89 HB VAL 89 8.093 -2.997 -2.597 680 1HG1 VAL 89 1HG1 VAL 89 8.333 -4.241 -4.758 681 2HG1 VAL 89 2HG1 VAL 89 9.951 -3.516 -4.944 682 3HG1 VAL 89 3HG1 VAL 89 9.600 -4.567 -3.572 683 1HG2 VAL 89 1HG2 VAL 89 9.641 -1.157 -2.062 684 2HG2 VAL 89 2HG2 VAL 89 10.451 -2.732 -2.083 685 3HG2 VAL 89 3HG2 VAL 89 10.662 -1.618 -3.445 686 H THR 90 H THR 90 7.573 0.879 -4.738 687 HA THR 90 HA THR 90 8.859 0.778 -7.369 688 HB THR 90 1HB THR 90 7.191 2.948 -6.040 689 HG1 THR 90 HG1 THR 90 6.061 1.009 -6.385 690 1HG2 THR 90 1HG2 THR 90 8.601 3.819 -7.897 691 2HG2 THR 90 2HG2 THR 90 8.043 2.496 -8.942 692 H TYR 91 H TYR 91 11.012 0.742 -6.898 693 HA TYR 91 HA TYR 91 12.277 3.019 -5.475 694 1HB TYR 91 1HB TYR 91 14.378 1.692 -6.028 695 2HB TYR 91 2HB TYR 91 13.248 0.965 -4.908 696 HD1 TYR 91 HD1 TYR 91 14.399 0.844 -8.464 697 HD2 TYR 91 HD2 TYR 91 12.226 -1.148 -5.320 698 HE1 TYR 91 HE1 TYR 91 14.376 -1.248 -9.794 699 HE2 TYR 91 HE2 TYR 91 12.265 -3.253 -6.622 700 HH TYR 91 HH TYR 91 13.904 -3.503 -9.799 701 H TYR 92 H TYR 92 14.177 3.966 -6.617 702 HA TYR 92 HA TYR 92 14.190 3.942 -9.525 703 1HB TYR 92 1HB TYR 92 13.933 6.334 -9.811 704 2HB TYR 92 2HB TYR 92 12.470 5.592 -9.193 705 HD1 TYR 92 HD1 TYR 92 11.880 5.839 -6.703 706 HD2 TYR 92 HD2 TYR 92 14.889 8.211 -8.690 707 HE1 TYR 92 HE1 TYR 92 11.911 7.409 -4.792 708 HE2 TYR 92 HE2 TYR 92 14.856 9.809 -6.812 709 HH TYR 92 HH TYR 92 14.087 10.272 -4.711 710 H ASP 93 H ASP 93 15.992 2.750 -8.385 711 HA ASP 93 HA ASP 93 18.172 4.315 -7.274 712 1HB ASP 93 1HB ASP 93 17.763 2.046 -6.523 713 2HB ASP 93 2HB ASP 93 17.887 1.429 -8.166 714 H LYS 94 H LYS 94 18.536 5.870 -8.907 715 HA LYS 94 HA LYS 94 19.134 5.156 -11.651 716 1HB LYS 94 1HB LYS 94 17.956 7.200 -10.940 717 2HB LYS 94 2HB LYS 94 19.409 7.769 -10.109 718 1HG LYS 94 1HG LYS 94 20.607 7.912 -12.255 719 2HG LYS 94 2HG LYS 94 19.222 7.197 -13.104 720 1HD LYS 94 1HD LYS 94 17.811 9.091 -12.522 721 2HD LYS 94 2HD LYS 94 19.080 9.800 -11.507 722 1HE LYS 94 1HE LYS 94 19.360 9.335 -14.510 723 2HE LYS 94 2HE LYS 94 18.834 10.861 -13.774 724 1HZ LYS 94 1HZ LYS 94 20.905 10.963 -12.609 725 2HZ LYS 94 2HZ LYS 94 21.418 9.559 -13.305 726 3HZ LYS 94 3HZ LYS 94 21.152 10.891 -14.237 727 H ASN 95 H ASN 95 20.798 3.557 -10.954 728 HA ASN 95 HA ASN 95 23.515 4.699 -10.954 729 1HB ASN 95 1HB ASN 95 22.513 2.781 -8.796 730 2HB ASN 95 2HB ASN 95 24.201 3.227 -9.090 731 1HD2 ASN 95 1HD2 ASN 95 21.712 5.806 -7.081 732 2HD2 ASN 95 2HD2 ASN 95 21.077 4.379 -7.872 733 H LYS 96 H LYS 96 21.660 1.607 -10.613 734 HA LYS 96 HA LYS 96 22.749 0.610 -13.135 735 1HB LYS 96 1HB LYS 96 23.792 -1.372 -12.168 736 2HB LYS 96 2HB LYS 96 24.609 0.077 -11.610 737 1HG LYS 96 1HG LYS 96 22.401 -0.884 -9.818 738 2HG LYS 96 2HG LYS 96 23.769 -1.987 -10.002 739 1HD LYS 96 1HD LYS 96 25.331 -0.368 -9.193 740 2HD LYS 96 2HD LYS 96 24.148 0.942 -9.316 741 1HE LYS 96 1HE LYS 96 24.451 0.243 -6.981 742 2HE LYS 96 2HE LYS 96 22.790 -0.026 -7.532 743 1HZ LYS 96 1HZ LYS 96 24.883 -2.076 -7.358 744 2HZ LYS 96 2HZ LYS 96 23.635 -1.880 -6.299 745 3HZ LYS 96 3HZ LYS 96 23.332 -2.326 -7.856 746 H LYS 97 H LYS 97 20.081 1.242 -12.210 747 HA LYS 97 HA LYS 97 18.744 -1.368 -12.504 748 1HB LYS 97 1HB LYS 97 19.343 -1.145 -10.038 749 2HB LYS 97 2HB LYS 97 18.468 0.372 -10.036 750 1HG LYS 97 1HG LYS 97 16.751 -0.826 -9.318 751 2HG LYS 97 2HG LYS 97 16.496 -1.276 -10.999 752 1HD LYS 97 1HD LYS 97 18.040 -2.882 -8.905 753 2HD LYS 97 2HD LYS 97 16.384 -3.168 -9.443 754 1HE LYS 97 1HE LYS 97 17.537 -4.752 -10.650 755 2HE LYS 97 2HE LYS 97 17.406 -3.439 -11.833 756 1HZ LYS 97 1HZ LYS 97 19.725 -4.031 -10.124 757 2HZ LYS 97 2HZ LYS 97 19.591 -4.393 -11.726 758 3HZ LYS 97 3HZ LYS 97 19.650 -2.821 -11.240 759 H LYS 98 H LYS 98 18.337 2.084 -11.638 760 HA LYS 98 HA LYS 98 16.933 3.678 -12.256 761 1HB LYS 98 1HB LYS 98 17.452 2.602 -14.620 762 2HB LYS 98 2HB LYS 98 15.752 2.118 -14.551 763 1HG LYS 98 1HG LYS 98 15.353 4.675 -13.942 764 2HG LYS 98 2HG LYS 98 16.995 4.896 -14.537 765 1HD LYS 98 1HD LYS 98 14.662 3.683 -16.092 766 2HD LYS 98 2HD LYS 98 15.280 5.334 -16.262 767 1HE LYS 98 1HE LYS 98 17.484 4.425 -16.994 768 2HE LYS 98 2HE LYS 98 16.823 2.779 -16.901 769 1HZ LYS 98 1HZ LYS 98 15.818 4.922 -18.624 770 2HZ LYS 98 2HZ LYS 98 16.732 3.634 -19.103 771 3HZ LYS 98 3HZ LYS 98 15.206 3.393 -18.526 772 H GLU 99 H GLU 99 14.172 3.206 -13.432 773 HA GLU 99 HA GLU 99 12.911 2.621 -10.848 774 1HB GLU 99 1HB GLU 99 12.498 4.765 -11.906 775 2HB GLU 99 2HB GLU 99 11.889 3.966 -13.371 776 1HG GLU 99 1HG GLU 99 10.009 3.001 -12.096 777 2HG GLU 99 2HG GLU 99 10.647 3.687 -10.596 778 H GLU 100 H GLU 100 11.697 0.903 -10.450 779 HA GLU 100 HA GLU 100 10.294 -0.509 -12.632 780 1HB GLU 100 1HB GLU 100 11.950 -1.952 -10.531 781 2HB GLU 100 2HB GLU 100 10.881 -2.699 -11.719 782 1HG GLU 100 1HG GLU 100 12.332 -1.892 -13.551 783 2HG GLU 100 2HG GLU 100 13.405 -1.109 -12.375 784 H THR 101 H THR 101 8.217 -0.485 -12.033 785 HA THR 101 HA THR 101 7.363 -0.279 -9.221 786 HB THR 101 1HB THR 101 5.799 -0.511 -11.827 787 HG1 THR 101 HG1 THR 101 6.989 1.412 -11.587 788 1HG2 THR 101 1HG2 THR 101 4.883 0.187 -8.999 789 2HG2 THR 101 2HG2 THR 101 3.890 0.291 -10.464 790 H LYS 102 H LYS 102 8.306 -2.213 -8.431 791 HA LYS 102 HA LYS 102 7.877 -4.750 -9.734 792 1HB LYS 102 1HB LYS 102 9.954 -4.150 -8.555 793 2HB LYS 102 2HB LYS 102 9.070 -3.993 -7.048 794 1HG LYS 102 1HG LYS 102 10.270 -6.118 -7.141 795 2HG LYS 102 2HG LYS 102 8.534 -6.387 -7.040 796 1HD LYS 102 1HD LYS 102 9.637 -7.935 -8.606 797 2HD LYS 102 2HD LYS 102 8.405 -6.959 -9.402 798 1HE LYS 102 1HE LYS 102 10.428 -7.216 -10.788 799 2HE LYS 102 2HE LYS 102 10.154 -5.518 -10.397 800 1HZ LYS 102 1HZ LYS 102 12.043 -7.308 -9.039 801 2HZ LYS 102 2HZ LYS 102 12.433 -6.147 -10.144 802 3HZ LYS 102 3HZ LYS 102 11.806 -5.715 -8.682 803 H SER 103 H SER 103 5.730 -5.270 -9.793 804 HA SER 103 HA SER 103 3.973 -4.846 -7.509 805 1HB SER 103 1HB SER 103 2.214 -5.498 -9.102 806 2HB SER 103 2HB SER 103 3.247 -4.190 -9.701 807 HG SER 103 HG SER 103 2.871 -5.794 -11.276 808 H PHE 104 H PHE 104 5.327 -6.459 -6.211 809 HA PHE 104 HA PHE 104 4.900 -9.274 -6.580 810 1HB PHE 104 1HB PHE 104 6.711 -8.426 -5.215 811 2HB PHE 104 2HB PHE 104 5.591 -7.569 -4.164 812 HD1 PHE 104 HD1 PHE 104 6.953 -10.893 -5.073 813 HD2 PHE 104 HD2 PHE 104 4.272 -8.756 -2.458 814 HE1 PHE 104 HE1 PHE 104 6.704 -12.919 -3.663 815 HE2 PHE 104 HE2 PHE 104 3.990 -10.794 -1.088 816 HZ PHE 104 1HZ PHE 104 5.216 -12.875 -1.671 817 HA PRO 105 HA PRO 105 0.615 -9.033 -5.157 818 1HB PRO 105 1HB PRO 105 -0.146 -11.618 -5.249 819 2HB PRO 105 2HB PRO 105 0.378 -10.741 -6.699 820 1HG PRO 105 1HG PRO 105 2.129 -12.537 -4.986 821 2HG PRO 105 2HG PRO 105 1.847 -12.638 -6.749 822 1HD PRO 105 1HD PRO 105 3.980 -11.299 -5.693 823 2HD PRO 105 2HD PRO 105 3.139 -10.711 -7.158 824 H ILE 106 H ILE 106 0.660 -12.034 -3.527 825 HA ILE 106 HA ILE 106 1.698 -11.216 -0.988 826 HB ILE 106 HB ILE 106 -0.525 -9.931 -1.203 827 1HG1 ILE 106 1HG1 ILE 106 -1.413 -10.591 1.044 828 2HG1 ILE 106 2HG1 ILE 106 -0.147 -11.867 1.082 829 1HG2 ILE 106 1HG2 ILE 106 -1.781 -11.728 -2.376 830 2HG2 ILE 106 2HG2 ILE 106 -1.784 -12.680 -0.870 831 3HG2 ILE 106 3HG2 ILE 106 -2.597 -11.115 -0.929 832 1HD1 ILE 106 1HD1 ILE 106 0.322 -8.851 0.759 833 2HD1 ILE 106 2HD1 ILE 106 0.476 -9.745 2.279 834 3HD1 ILE 106 3HD1 ILE 106 1.583 -10.087 0.940 835 H THR 107 H THR 107 1.636 -13.004 0.528 836 HA THR 107 HA THR 107 0.522 -15.570 -0.493 837 HB THR 107 HB THR 107 2.471 -16.778 0.357 838 HG1 THR 107 HG1 THR 107 4.329 -15.591 0.901 839 1HG2 THR 107 1HG2 THR 107 2.411 -16.114 -2.040 840 2HG2 THR 107 2HG2 THR 107 3.314 -14.634 -1.644 841 H GLU 108 H GLU 108 0.060 -17.094 1.138 842 HA GLU 108 HA GLU 108 -1.362 -15.871 3.324 843 1HB GLU 108 1HB GLU 108 -0.987 -18.750 2.406 844 2HB GLU 108 2HB GLU 108 -2.005 -18.270 3.766 845 1HG GLU 108 1HG GLU 108 -3.414 -18.560 1.855 846 2HG GLU 108 2HG GLU 108 -3.377 -16.854 2.299 847 H LYS 109 H LYS 109 1.738 -17.480 3.012 848 HA LYS 109 HA LYS 109 1.833 -18.843 5.432 849 1HB LYS 109 1HB LYS 109 4.088 -17.804 3.677 850 2HB LYS 109 2HB LYS 109 4.272 -18.996 4.980 851 1HG LYS 109 1HG LYS 109 2.646 -20.494 3.846 852 2HG LYS 109 2HG LYS 109 2.503 -19.335 2.510 853 1HD LYS 109 1HD LYS 109 4.921 -19.576 2.033 854 2HD LYS 109 2HD LYS 109 5.060 -20.758 3.354 855 1HE LYS 109 1HE LYS 109 3.412 -22.226 2.210 856 2HE LYS 109 2HE LYS 109 3.274 -21.046 0.892 857 1HZ LYS 109 1HZ LYS 109 5.586 -21.382 0.432 858 2HZ LYS 109 2HZ LYS 109 5.715 -22.478 1.657 859 3HZ LYS 109 3HZ LYS 109 4.764 -22.808 0.351 860 H GLY 110 H GLY 110 3.064 -15.533 4.726 861 1HA GLY 110 1HA GLY 110 3.063 -13.832 6.452 862 2HA GLY 110 2HA GLY 110 3.362 -15.058 7.674 863 H PHE 111 H PHE 111 4.759 -13.831 4.591 864 HA PHE 111 HA PHE 111 7.457 -14.557 5.326 865 1HB PHE 111 1HB PHE 111 8.139 -13.505 3.304 866 2HB PHE 111 2HB PHE 111 6.731 -14.510 2.999 867 HD1 PHE 111 HD1 PHE 111 4.497 -13.440 2.555 868 HD2 PHE 111 HD2 PHE 111 8.102 -11.108 2.908 869 HE1 PHE 111 HE1 PHE 111 3.388 -11.557 1.397 870 HE2 PHE 111 HE2 PHE 111 6.979 -9.209 1.779 871 HZ PHE 111 1HZ PHE 111 4.620 -9.424 1.026 872 H VAL 112 H VAL 112 8.830 -13.441 6.569 873 HA VAL 112 HA VAL 112 8.155 -10.814 7.639 874 HB VAL 112 HB VAL 112 10.543 -12.674 7.947 875 1HG1 VAL 112 1HG1 VAL 112 10.026 -9.933 9.150 876 2HG1 VAL 112 2HG1 VAL 112 11.190 -11.095 9.826 877 3HG1 VAL 112 3HG1 VAL 112 11.440 -10.443 8.203 878 1HG2 VAL 112 1HG2 VAL 112 8.424 -13.381 9.061 879 2HG2 VAL 112 2HG2 VAL 112 9.661 -12.918 10.240 880 3HG2 VAL 112 3HG2 VAL 112 8.333 -11.800 9.868 881 H VAL 113 H VAL 113 8.806 -8.890 6.828 882 HA VAL 113 HA VAL 113 10.088 -8.703 4.280 883 HB VAL 113 HB VAL 113 9.575 -6.553 6.374 884 1HG1 VAL 113 1HG1 VAL 113 11.253 -5.864 4.661 885 2HG1 VAL 113 2HG1 VAL 113 10.124 -6.339 3.376 886 3HG1 VAL 113 3HG1 VAL 113 9.726 -4.994 4.464 887 1HG2 VAL 113 1HG2 VAL 113 7.906 -7.472 3.990 888 2HG2 VAL 113 2HG2 VAL 113 7.471 -7.628 5.705 889 3HG2 VAL 113 3HG2 VAL 113 7.587 -6.027 4.973 890 HA PRO 114 HA PRO 114 14.149 -9.104 6.287 891 1HB PRO 114 1HB PRO 114 15.776 -9.196 4.100 892 2HB PRO 114 2HB PRO 114 14.658 -10.506 4.539 893 1HG PRO 114 1HG PRO 114 14.182 -8.350 2.464 894 2HG PRO 114 2HG PRO 114 13.927 -10.106 2.325 895 1HD PRO 114 1HD PRO 114 11.929 -8.318 2.949 896 2HD PRO 114 2HD PRO 114 11.940 -10.006 3.539 897 H ASP 115 H ASP 115 15.301 -7.217 3.568 898 HA ASP 115 HA ASP 115 14.500 -4.657 4.338 899 1HB ASP 115 1HB ASP 115 16.054 -4.748 6.215 900 2HB ASP 115 2HB ASP 115 17.354 -5.345 5.186 901 H LEU 116 H LEU 116 17.754 -5.615 3.212 902 HA LEU 116 HA LEU 116 17.069 -5.315 0.374 903 1HB LEU 116 1HB LEU 116 18.933 -3.465 1.941 904 2HB LEU 116 2HB LEU 116 19.029 -3.638 0.190 905 HG LEU 116 HG LEU 116 16.568 -2.604 1.665 906 1HD1 LEU 116 1HD1 LEU 116 18.744 -1.179 0.105 907 2HD1 LEU 116 2HD1 LEU 116 17.251 -0.433 0.724 908 3HD1 LEU 116 3HD1 LEU 116 18.456 -1.076 1.853 909 1HD2 LEU 116 1HD2 LEU 116 17.296 -2.862 -1.295 910 2HD2 LEU 116 2HD2 LEU 116 15.940 -3.667 -0.479 911 3HD2 LEU 116 3HD2 LEU 116 15.919 -1.926 -0.682 912 H SER 117 H SER 117 18.820 -5.841 -1.022 913 HA SER 117 HA SER 117 20.766 -7.776 0.142 914 1HB SER 117 1HB SER 117 19.291 -8.712 -1.543 915 2HB SER 117 2HB SER 117 19.709 -7.433 -2.694 916 HG SER 117 HG SER 117 21.505 -9.307 -1.541 917 H GLU 118 H GLU 118 20.724 -5.591 -2.718 918 HA GLU 118 HA GLU 118 23.024 -4.046 -1.887 919 1HB GLU 118 1HB GLU 118 24.014 -6.315 -2.402 920 2HB GLU 118 2HB GLU 118 23.436 -6.168 -4.059 921 1HG GLU 118 1HG GLU 118 25.358 -4.236 -2.662 922 2HG GLU 118 2HG GLU 118 25.863 -5.608 -3.658 923 H HIS 119 H HIS 119 21.164 -5.353 -4.627 924 HA HIS 119 HA HIS 119 21.858 -3.733 -6.633 925 1HB HIS 119 1HB HIS 119 19.906 -4.424 -7.789 926 2HB HIS 119 2HB HIS 119 20.496 -5.757 -6.801 927 HD1 HIS 119 HD1 HIS 119 17.373 -4.784 -7.894 928 HD2 HIS 119 HD2 HIS 119 18.992 -5.313 -4.045 929 HE1 HIS 119 HE1 HIS 119 15.409 -5.203 -6.315 930 H ILE 120 H ILE 120 19.460 -2.760 -4.176 931 HA ILE 120 HA ILE 120 19.447 -0.024 -5.361 932 HB ILE 120 HB ILE 120 17.082 0.202 -4.891 933 1HG1 ILE 120 1HG1 ILE 120 17.213 -2.691 -3.927 934 2HG1 ILE 120 2HG1 ILE 120 16.859 -1.237 -2.987 935 1HG2 ILE 120 1HG2 ILE 120 17.890 -0.698 -7.100 936 2HG2 ILE 120 2HG2 ILE 120 17.459 -2.318 -6.530 937 3HG2 ILE 120 3HG2 ILE 120 16.210 -1.075 -6.707 938 1HD1 ILE 120 1HD1 ILE 120 14.823 -0.876 -4.380 939 2HD1 ILE 120 2HD1 ILE 120 15.126 -2.446 -5.172 940 3HD1 ILE 120 3HD1 ILE 120 14.785 -2.379 -3.435 941 H LYS 121 H LYS 121 18.504 1.568 -3.779 942 HA LYS 121 HA LYS 121 18.583 0.894 -0.977 943 1HB LYS 121 1HB LYS 121 20.264 2.549 -0.317 944 2HB LYS 121 2HB LYS 121 20.951 1.183 -1.174 945 1HG LYS 121 1HG LYS 121 20.303 3.733 -2.694 946 2HG LYS 121 2HG LYS 121 21.744 3.621 -1.676 947 1HD LYS 121 1HD LYS 121 22.480 1.589 -2.931 948 2HD LYS 121 2HD LYS 121 21.117 1.811 -4.041 949 1HE LYS 121 1HE LYS 121 21.978 4.105 -4.569 950 2HE LYS 121 2HE LYS 121 23.382 3.781 -3.538 951 1HZ LYS 121 1HZ LYS 121 23.923 1.948 -4.970 952 2HZ LYS 121 2HZ LYS 121 22.616 2.258 -5.927 953 3HZ LYS 121 3HZ LYS 121 23.843 3.354 -5.829 954 H ASN 122 H ASN 122 16.537 1.643 -2.643 955 HA ASN 122 HA ASN 122 15.420 3.653 -0.954 956 1HB ASN 122 1HB ASN 122 14.827 5.345 -2.481 957 2HB ASN 122 2HB ASN 122 16.567 5.163 -2.566 958 1HD2 ASN 122 1HD2 ASN 122 16.098 3.419 -5.925 959 2HD2 ASN 122 2HD2 ASN 122 16.732 2.889 -4.389 960 HA PRO 123 HA PRO 123 13.149 -0.047 -2.955 961 1HB PRO 123 1HB PRO 123 11.841 -0.715 -0.537 962 2HB PRO 123 2HB PRO 123 13.243 -1.509 -1.299 963 1HG PRO 123 1HG PRO 123 13.218 0.614 0.831 964 2HG PRO 123 2HG PRO 123 14.280 -0.816 0.715 965 1HD PRO 123 1HD PRO 123 15.252 1.561 0.002 966 2HD PRO 123 2HD PRO 123 15.535 0.200 -1.096 967 H GLY 124 H GLY 124 11.606 2.063 -0.437 968 1HA GLY 124 1HA GLY 124 9.781 3.440 -0.595 969 2HA GLY 124 2HA GLY 124 10.021 3.417 -2.348 970 H PHE 125 H PHE 125 8.810 1.339 0.315 971 HA PHE 125 HA PHE 125 7.217 -0.372 -1.311 972 1HB PHE 125 1HB PHE 125 7.261 0.220 1.647 973 2HB PHE 125 2HB PHE 125 6.195 -0.974 0.913 974 HD1 PHE 125 HD1 PHE 125 9.747 -0.151 1.640 975 HD2 PHE 125 HD2 PHE 125 7.002 -3.103 0.116 976 HE1 PHE 125 HE1 PHE 125 11.520 -1.884 1.784 977 HE2 PHE 125 HE2 PHE 125 8.782 -4.824 0.241 978 HZ PHE 125 1HZ PHE 125 11.041 -4.219 1.088 979 H ASN 126 H ASN 126 5.111 -0.343 -1.881 980 HA ASN 126 HA ASN 126 3.323 1.855 -0.930 981 1HB ASN 126 1HB ASN 126 3.536 0.796 -3.765 982 2HB ASN 126 2HB ASN 126 2.326 1.920 -3.172 983 1HD2 ASN 126 1HD2 ASN 126 4.379 4.792 -3.322 984 2HD2 ASN 126 2HD2 ASN 126 2.873 4.092 -2.770 985 H LEU 127 H LEU 127 2.551 0.406 0.615 986 HA LEU 127 HA LEU 127 1.270 -2.121 -0.097 987 1HB LEU 127 1HB LEU 127 1.279 -0.331 2.372 988 2HB LEU 127 2HB LEU 127 0.315 -1.794 2.263 989 HG LEU 127 HG LEU 127 2.428 -2.013 3.537 990 1HD1 LEU 127 1HD1 LEU 127 2.050 -3.810 1.124 991 2HD1 LEU 127 2HD1 LEU 127 3.145 -4.177 2.476 992 3HD1 LEU 127 3HD1 LEU 127 1.410 -4.017 2.757 993 1HD2 LEU 127 1HD2 LEU 127 3.882 -0.592 2.075 994 2HD2 LEU 127 2HD2 LEU 127 4.573 -2.166 2.502 995 3HD2 LEU 127 3HD2 LEU 127 3.898 -1.921 0.884 996 H ILE 128 H ILE 128 -0.294 -1.784 -1.638 997 HA ILE 128 HA ILE 128 -2.553 0.065 -1.018 998 HB ILE 128 HB ILE 128 -1.137 -0.198 -3.688 999 1HG1 ILE 128 1HG1 ILE 128 -1.346 2.123 -1.707 1000 2HG1 ILE 128 2HG1 ILE 128 0.113 1.181 -2.116 1001 1HG2 ILE 128 1HG2 ILE 128 -3.656 0.052 -3.837 1002 2HG2 ILE 128 2HG2 ILE 128 -3.515 1.534 -2.875 1003 3HG2 ILE 128 3HG2 ILE 128 -2.787 1.425 -4.493 1004 1HD1 ILE 128 1HD1 ILE 128 -0.090 2.001 -4.484 1005 2HD1 ILE 128 2HD1 ILE 128 -1.397 3.090 -3.951 1006 3HD1 ILE 128 3HD1 ILE 128 0.228 3.272 -3.287 1007 H THR 129 H THR 129 -3.912 -1.562 -0.371 1008 HA THR 129 HA THR 129 -4.348 -3.947 -2.031 1009 HB THR 129 HB THR 129 -5.695 -2.923 0.501 1010 HG1 THR 129 HG1 THR 129 -4.403 -4.544 1.444 1011 1HG2 THR 129 1HG2 THR 129 -6.510 -5.254 0.743 1012 2HG2 THR 129 2HG2 THR 129 -7.207 -4.464 -0.662 1013 H LYS 130 H LYS 130 -6.247 -4.361 -3.195 1014 HA LYS 130 HA LYS 130 -7.846 -2.060 -4.107 1015 1HB LYS 130 1HB LYS 130 -6.882 -3.914 -5.560 1016 2HB LYS 130 2HB LYS 130 -8.060 -5.011 -4.846 1017 1HG LYS 130 1HG LYS 130 -8.630 -2.502 -6.495 1018 2HG LYS 130 2HG LYS 130 -8.731 -4.181 -7.028 1019 1HD LYS 130 1HD LYS 130 -10.517 -4.434 -5.096 1020 2HD LYS 130 2HD LYS 130 -10.567 -2.663 -5.173 1021 1HE LYS 130 1HE LYS 130 -12.298 -3.425 -6.598 1022 2HE LYS 130 2HE LYS 130 -10.993 -2.898 -7.677 1023 1HZ LYS 130 1HZ LYS 130 -11.558 -5.666 -6.876 1024 2HZ LYS 130 2HZ LYS 130 -11.934 -4.988 -8.331 1025 3HZ LYS 130 3HZ LYS 130 -10.356 -5.192 -7.900 1026 H VAL 131 H VAL 131 -9.747 -1.530 -3.032 1027 HA VAL 131 HA VAL 131 -11.206 -3.682 -1.564 1028 HB VAL 131 HB VAL 131 -11.653 -2.235 0.270 1029 1HG1 VAL 131 1HG1 VAL 131 -9.571 -3.596 0.332 1030 2HG1 VAL 131 2HG1 VAL 131 -8.653 -2.212 -0.290 1031 3HG1 VAL 131 3HG1 VAL 131 -9.441 -2.110 1.288 1032 1HG2 VAL 131 1HG2 VAL 131 -9.946 -0.115 -1.097 1033 2HG2 VAL 131 2HG2 VAL 131 -11.693 -0.029 -0.760 1034 3HG2 VAL 131 3HG2 VAL 131 -10.546 -0.054 0.574 1035 H VAL 132 H VAL 132 -13.345 -3.720 -1.775 1036 HA VAL 132 HA VAL 132 -14.586 -1.871 -3.737 1037 HB VAL 132 HB VAL 132 -15.461 -4.573 -2.642 1038 1HG1 VAL 132 1HG1 VAL 132 -16.655 -2.778 -4.805 1039 2HG1 VAL 132 2HG1 VAL 132 -17.153 -4.452 -4.481 1040 3HG1 VAL 132 3HG1 VAL 132 -17.424 -3.201 -3.263 1041 1HG2 VAL 132 1HG2 VAL 132 -14.358 -3.753 -5.363 1042 2HG2 VAL 132 2HG2 VAL 132 -13.497 -4.729 -4.151 1043 3HG2 VAL 132 3HG2 VAL 132 -14.952 -5.367 -4.926 1044 H ILE 133 H ILE 133 -15.269 -0.077 -2.670 1045 HA ILE 133 HA ILE 133 -16.390 -0.171 0.015 1046 HB ILE 133 HB ILE 133 -15.993 2.080 -1.976 1047 1HG1 ILE 133 1HG1 ILE 133 -14.536 1.225 0.566 1048 2HG1 ILE 133 2HG1 ILE 133 -13.931 1.127 -1.123 1049 1HG2 ILE 133 1HG2 ILE 133 -16.980 2.188 0.907 1050 2HG2 ILE 133 2HG2 ILE 133 -16.579 3.600 -0.099 1051 3HG2 ILE 133 3HG2 ILE 133 -17.938 2.594 -0.531 1052 1HD1 ILE 133 1HD1 ILE 133 -14.069 3.649 -1.220 1053 2HD1 ILE 133 2HD1 ILE 133 -14.477 3.659 0.516 1054 3HD1 ILE 133 3HD1 ILE 133 -12.922 3.025 -0.011 1055 H GLU 134 H GLU 134 -18.452 -0.529 0.470 1056 HA GLU 134 HA GLU 134 -20.576 0.463 -1.377 1057 1HB GLU 134 1HB GLU 134 -22.182 -0.730 -0.013 1058 2HB GLU 134 2HB GLU 134 -21.027 -1.831 -0.761 1059 1HG GLU 134 1HG GLU 134 -19.771 -1.930 1.414 1060 2HG GLU 134 2HG GLU 134 -21.002 -0.885 2.140 1061 H LYS 135 H LYS 135 -21.807 2.141 -0.643 1062 HA LYS 135 HA LYS 135 -20.745 3.619 1.716 1063 1HB LYS 135 1HB LYS 135 -21.389 5.619 0.585 1064 2HB LYS 135 2HB LYS 135 -20.365 4.629 -0.470 1065 1HG LYS 135 1HG LYS 135 -22.581 3.797 -1.532 1066 2HG LYS 135 2HG LYS 135 -23.360 5.123 -0.659 1067 1HD LYS 135 1HD LYS 135 -21.156 5.344 -2.765 1068 2HD LYS 135 2HD LYS 135 -22.870 5.719 -2.954 1069 1HE LYS 135 1HE LYS 135 -21.949 7.819 -2.688 1070 2HE LYS 135 2HE LYS 135 -22.513 7.465 -1.048 1071 1HZ LYS 135 1HZ LYS 135 -19.768 7.148 -2.070 1072 2HZ LYS 135 2HZ LYS 135 -20.299 8.380 -1.112 1073 3HZ LYS 135 3HZ LYS 135 -20.241 6.844 -0.522 1074 H LYS 136 H LYS 136 -22.069 4.321 3.304 1075 HA LYS 136 HA LYS 136 -24.952 4.409 3.031 1076 1HB LYS 136 1HB LYS 136 -25.514 2.779 4.723 1077 2HB LYS 136 2HB LYS 136 -24.614 2.001 3.428 1078 1HG LYS 136 1HG LYS 136 -23.588 1.029 5.205 1079 2HG LYS 136 2HG LYS 136 -22.519 2.418 5.018 1080 1HD LYS 136 1HD LYS 136 -23.904 3.585 6.839 1081 2HD LYS 136 2HD LYS 136 -24.861 2.103 6.961 1082 1HE LYS 136 1HE LYS 136 -23.235 2.113 8.728 1083 2HE LYS 136 2HE LYS 136 -22.767 0.856 7.571 1084 1HZ LYS 136 1HZ LYS 136 -21.636 3.566 7.731 1085 2HZ LYS 136 2HZ LYS 136 -20.917 2.190 8.284 1086 3HZ LYS 136 3HZ LYS 136 -21.168 2.396 6.668 No H/Q in entry = 1086 Start of MODEL 15 1 H SER 1 H SER 1 -15.728 8.484 7.850 2 HA SER 1 HA SER 1 -18.123 9.371 7.182 3 1HB SER 1 1HB SER 1 -16.557 10.643 8.600 4 2HB SER 1 2HB SER 1 -15.666 11.185 7.172 5 HG SER 1 HG SER 1 -18.411 11.668 7.719 6 H SER 2 H SER 2 -15.376 10.512 5.152 7 HA SER 2 HA SER 2 -16.821 10.153 2.648 8 1HB SER 2 1HB SER 2 -17.035 12.555 2.146 9 2HB SER 2 2HB SER 2 -17.952 12.164 3.601 10 HG SER 2 HG SER 2 -16.170 12.923 4.826 11 H SER 3 H SER 3 -15.509 11.753 0.985 12 HA SER 3 HA SER 3 -12.872 10.697 0.775 13 1HB SER 3 1HB SER 3 -12.691 12.248 -1.138 14 2HB SER 3 2HB SER 3 -14.191 11.299 -1.165 15 HG SER 3 HG SER 3 -13.941 13.969 -0.262 16 H PHE 4 H PHE 4 -11.401 11.157 2.332 17 HA PHE 4 HA PHE 4 -11.113 13.780 3.546 18 1HB PHE 4 1HB PHE 4 -10.585 11.680 4.720 19 2HB PHE 4 2HB PHE 4 -9.300 11.336 3.570 20 HD1 PHE 4 HD1 PHE 4 -10.474 13.883 6.072 21 HD2 PHE 4 HD2 PHE 4 -7.099 12.196 3.991 22 HE1 PHE 4 HE1 PHE 4 -8.930 15.185 7.513 23 HE2 PHE 4 HE2 PHE 4 -5.560 13.423 5.502 24 HZ PHE 4 1HZ PHE 4 -6.471 14.949 7.234 25 H ASP 5 H ASP 5 -10.615 15.351 2.114 26 HA ASP 5 HA ASP 5 -9.582 14.894 -0.414 27 1HB ASP 5 1HB ASP 5 -11.123 16.684 0.183 28 2HB ASP 5 2HB ASP 5 -9.851 17.517 1.085 29 H LYS 6 H LYS 6 -7.593 13.913 -0.425 30 HA LYS 6 HA LYS 6 -5.206 15.623 -0.089 31 1HB LYS 6 1HB LYS 6 -5.591 12.862 1.153 32 2HB LYS 6 2HB LYS 6 -4.038 13.691 1.014 33 1HG LYS 6 1HG LYS 6 -6.399 14.659 2.672 34 2HG LYS 6 2HG LYS 6 -4.973 13.795 3.250 35 1HD LYS 6 1HD LYS 6 -3.507 15.639 2.479 36 2HD LYS 6 2HD LYS 6 -4.930 16.564 1.980 37 1HE LYS 6 1HE LYS 6 -5.788 16.491 4.311 38 2HE LYS 6 2HE LYS 6 -4.340 15.591 4.808 39 1HZ LYS 6 1HZ LYS 6 -4.365 18.290 3.665 40 2HZ LYS 6 2HZ LYS 6 -4.136 17.910 5.253 41 3HZ LYS 6 3HZ LYS 6 -3.022 17.450 4.127 42 H GLY 7 H GLY 7 -5.526 15.654 -2.410 43 1HA GLY 7 1HA GLY 7 -5.622 13.226 -3.980 44 2HA GLY 7 2HA GLY 7 -5.441 14.888 -4.549 45 H LYS 8 H LYS 8 -3.784 11.960 -3.662 46 HA LYS 8 HA LYS 8 -1.657 11.211 -3.848 47 1HB LYS 8 1HB LYS 8 -1.799 13.135 -6.192 48 2HB LYS 8 2HB LYS 8 -0.355 12.197 -5.834 49 1HG LYS 8 1HG LYS 8 -1.647 11.042 -7.488 50 2HG LYS 8 2HG LYS 8 -1.501 10.101 -6.005 51 1HD LYS 8 1HD LYS 8 -3.709 9.830 -6.925 52 2HD LYS 8 2HD LYS 8 -3.840 10.691 -5.396 53 1HE LYS 8 1HE LYS 8 -4.054 12.848 -6.682 54 2HE LYS 8 2HE LYS 8 -3.965 11.912 -8.186 55 1HZ LYS 8 1HZ LYS 8 -5.935 10.754 -7.488 56 2HZ LYS 8 2HZ LYS 8 -6.001 11.625 -6.090 57 3HZ LYS 8 3HZ LYS 8 -6.210 12.379 -7.540 58 H TYR 9 H TYR 9 -1.612 12.337 -1.693 59 HA TYR 9 HA TYR 9 0.361 14.573 -1.546 60 1HB TYR 9 1HB TYR 9 -1.683 15.240 -0.608 61 2HB TYR 9 2HB TYR 9 -1.988 13.660 0.086 62 HD1 TYR 9 HD1 TYR 9 0.675 16.328 0.364 63 HD2 TYR 9 HD2 TYR 9 -1.861 13.497 2.405 64 HE1 TYR 9 HE1 TYR 9 1.641 17.020 2.540 65 HE2 TYR 9 HE2 TYR 9 -0.912 14.204 4.573 66 HH TYR 9 HH TYR 9 1.665 16.685 4.817 67 H LYS 10 H LYS 10 -0.681 11.849 0.541 68 HA LYS 10 HA LYS 10 0.391 10.456 1.897 69 1HB LYS 10 1HB LYS 10 2.979 10.828 0.361 70 2HB LYS 10 2HB LYS 10 2.494 9.496 1.403 71 1HG LYS 10 1HG LYS 10 1.367 10.162 -1.331 72 2HG LYS 10 2HG LYS 10 2.381 8.796 -0.881 73 1HD LYS 10 1HD LYS 10 -0.479 9.305 -0.003 74 2HD LYS 10 2HD LYS 10 0.069 8.090 -1.161 75 1HE LYS 10 1HE LYS 10 1.394 7.046 0.752 76 2HE LYS 10 2HE LYS 10 0.525 8.140 1.844 77 1HZ LYS 10 1HZ LYS 10 -0.717 6.193 0.043 78 2HZ LYS 10 2HZ LYS 10 -0.482 5.989 1.662 79 3HZ LYS 10 3HZ LYS 10 -1.499 7.167 1.123 80 H LYS 11 H LYS 11 2.130 10.283 3.567 81 HA LYS 11 HA LYS 11 2.057 12.353 5.313 82 1HB LYS 11 1HB LYS 11 2.743 10.062 5.870 83 2HB LYS 11 2HB LYS 11 4.261 10.277 4.983 84 1HG LYS 11 1HG LYS 11 4.657 10.411 7.339 85 2HG LYS 11 2HG LYS 11 5.002 11.978 6.606 86 1HD LYS 11 1HD LYS 11 2.837 12.859 7.418 87 2HD LYS 11 2HD LYS 11 2.407 11.255 8.054 88 1HE LYS 11 1HE LYS 11 4.351 11.357 9.591 89 2HE LYS 11 2HE LYS 11 4.780 12.953 8.941 90 1HZ LYS 11 1HZ LYS 11 2.675 13.762 9.727 91 2HZ LYS 11 2HZ LYS 11 2.280 12.277 10.325 92 3HZ LYS 11 3HZ LYS 11 3.545 13.115 10.971 93 H GLY 12 H GLY 12 4.833 11.667 3.133 94 1HA GLY 12 1HA GLY 12 5.609 14.124 2.299 95 2HA GLY 12 2HA GLY 12 6.258 14.087 3.952 96 H ASP 13 H ASP 13 6.547 11.046 3.693 97 HA ASP 13 HA ASP 13 9.296 10.998 3.116 98 1HB ASP 13 1HB ASP 13 7.451 8.592 3.130 99 2HB ASP 13 2HB ASP 13 9.165 8.654 3.543 100 H ASP 14 H ASP 14 6.550 10.657 0.946 101 HA ASP 14 HA ASP 14 7.680 9.107 -1.090 102 1HB ASP 14 1HB ASP 14 5.279 9.751 -0.941 103 2HB ASP 14 2HB ASP 14 5.712 11.405 -1.376 104 H ALA 15 H ALA 15 9.209 9.495 -2.608 105 HA ALA 15 HA ALA 15 9.727 12.176 -3.629 106 1HB ALA 15 1HB ALA 15 11.182 12.128 -1.608 107 2HB ALA 15 2HB ALA 15 11.964 10.655 -2.217 108 3HB ALA 15 3HB ALA 15 12.117 12.187 -3.111 109 H SER 16 H SER 16 8.510 10.247 -4.949 110 HA SER 16 HA SER 16 10.029 8.228 -6.170 111 1HB SER 16 1HB SER 16 7.566 9.692 -7.202 112 2HB SER 16 2HB SER 16 8.177 8.134 -7.798 113 HG SER 16 HG SER 16 7.318 8.699 -5.152 114 H TYR 17 H TYR 17 11.199 8.086 -8.040 115 HA TYR 17 HA TYR 17 12.491 8.628 -9.759 116 1HB TYR 17 1HB TYR 17 10.035 10.195 -10.231 117 2HB TYR 17 2HB TYR 17 11.427 10.933 -10.978 118 HD1 TYR 17 HD1 TYR 17 12.910 9.534 -12.533 119 HD2 TYR 17 HD2 TYR 17 8.989 8.291 -11.233 120 HE1 TYR 17 HE1 TYR 17 12.759 7.995 -14.462 121 HE2 TYR 17 HE2 TYR 17 8.815 6.799 -13.202 122 HH TYR 17 HH TYR 17 9.867 5.969 -15.076 123 H PHE 18 H PHE 18 13.733 10.439 -10.908 124 HA PHE 18 HA PHE 18 15.447 11.830 -10.888 125 1HB PHE 18 1HB PHE 18 13.657 13.459 -10.758 126 2HB PHE 18 2HB PHE 18 13.675 13.411 -8.998 127 HD1 PHE 18 HD1 PHE 18 15.994 14.022 -11.915 128 HD2 PHE 18 HD2 PHE 18 14.982 15.020 -7.841 129 HE1 PHE 18 HE1 PHE 18 17.856 15.658 -11.848 130 HE2 PHE 18 HE2 PHE 18 16.836 16.663 -7.788 131 HZ PHE 18 1HZ PHE 18 18.283 16.976 -9.784 132 H GLU 19 H GLU 19 16.980 10.484 -10.052 133 HA GLU 19 HA GLU 19 18.759 10.009 -8.872 134 1HB GLU 19 1HB GLU 19 18.118 12.138 -6.804 135 2HB GLU 19 2HB GLU 19 19.681 11.446 -7.209 136 1HG GLU 19 1HG GLU 19 18.009 13.338 -8.916 137 2HG GLU 19 2HG GLU 19 19.517 13.690 -8.077 138 HA PRO 20 HA PRO 20 17.370 7.459 -5.332 139 1HB PRO 20 1HB PRO 20 20.232 7.621 -4.397 140 2HB PRO 20 2HB PRO 20 19.206 6.192 -4.648 141 1HG PRO 20 1HG PRO 20 21.169 6.820 -6.411 142 2HG PRO 20 2HG PRO 20 19.580 6.236 -6.988 143 1HD PRO 20 1HD PRO 20 20.529 9.111 -6.795 144 2HD PRO 20 2HD PRO 20 19.766 8.244 -8.165 145 H THR 21 H THR 21 16.098 8.919 -4.140 146 HA THR 21 HA THR 21 17.437 11.130 -2.643 147 HB THR 21 HB THR 21 15.081 12.057 -2.571 148 HG1 THR 21 HG1 THR 21 13.731 11.264 -4.240 149 1HG2 THR 21 1HG2 THR 21 15.222 12.934 -4.884 150 2HG2 THR 21 2HG2 THR 21 16.788 12.979 -4.051 151 H GLY 22 H GLY 22 14.425 9.200 -2.149 152 1HA GLY 22 1HA GLY 22 15.183 8.568 0.612 153 2HA GLY 22 2HA GLY 22 14.025 9.878 0.423 154 HA PRO 23 HA PRO 23 11.918 5.748 -0.970 155 1HB PRO 23 1HB PRO 23 12.340 3.624 0.700 156 2HB PRO 23 2HB PRO 23 13.396 4.044 -0.665 157 1HG PRO 23 1HG PRO 23 13.754 4.805 2.254 158 2HG PRO 23 2HG PRO 23 14.965 4.032 1.194 159 1HD PRO 23 1HD PRO 23 14.904 6.694 1.657 160 2HD PRO 23 2HD PRO 23 15.339 6.071 0.034 161 H TYR 24 H TYR 24 10.270 4.281 0.314 162 HA TYR 24 HA TYR 24 8.989 5.568 2.592 163 1HB TYR 24 1HB TYR 24 7.066 6.342 1.126 164 2HB TYR 24 2HB TYR 24 8.537 7.282 1.012 165 HD1 TYR 24 HD1 TYR 24 6.629 4.561 -0.707 166 HD2 TYR 24 HD2 TYR 24 9.643 7.607 -1.089 167 HE1 TYR 24 HE1 TYR 24 6.710 4.172 -3.152 168 HE2 TYR 24 HE2 TYR 24 9.668 7.281 -3.537 169 HH TYR 24 HH TYR 24 8.884 6.026 -5.313 170 H LEU 25 H LEU 25 6.560 4.809 2.540 171 HA LEU 25 HA LEU 25 6.086 2.177 1.385 172 1HB LEU 25 1HB LEU 25 7.450 1.696 3.384 173 2HB LEU 25 2HB LEU 25 6.299 2.546 4.407 174 HG LEU 25 HG LEU 25 4.963 0.507 2.753 175 1HD1 LEU 25 1HD1 LEU 25 7.159 -0.641 2.846 176 2HD1 LEU 25 2HD1 LEU 25 7.171 -0.477 4.614 177 3HD1 LEU 25 3HD1 LEU 25 5.947 -1.487 3.817 178 1HD2 LEU 25 1HD2 LEU 25 4.053 1.524 4.840 179 2HD2 LEU 25 2HD2 LEU 25 4.109 -0.243 4.926 180 3HD2 LEU 25 3HD2 LEU 25 5.329 0.731 5.778 181 H MET 26 H MET 26 4.403 3.078 0.331 182 HA MET 26 HA MET 26 2.581 4.973 1.588 183 1HB MET 26 1HB MET 26 2.855 3.803 -1.205 184 2HB MET 26 2HB MET 26 1.634 5.005 -0.754 185 1HG MET 26 1HG MET 26 3.279 6.653 -0.279 186 2HG MET 26 2HG MET 26 4.588 5.487 -0.269 187 1HE MET 26 1HE MET 26 1.855 7.168 -2.572 188 2HE MET 26 2HE MET 26 2.471 6.763 -4.188 189 3HE MET 26 3HE MET 26 1.819 5.484 -3.148 190 H VAL 27 H VAL 27 1.154 4.010 2.997 191 HA VAL 27 HA VAL 27 -0.211 1.488 2.249 192 HB VAL 27 HB VAL 27 -0.307 2.998 4.883 193 1HG1 VAL 27 1HG1 VAL 27 -2.090 1.284 4.433 194 2HG1 VAL 27 2HG1 VAL 27 -0.818 0.070 4.198 195 3HG1 VAL 27 3HG1 VAL 27 -1.028 0.850 5.779 196 1HG2 VAL 27 1HG2 VAL 27 1.624 0.826 3.982 197 2HG2 VAL 27 2HG2 VAL 27 2.014 2.484 4.505 198 3HG2 VAL 27 3HG2 VAL 27 1.371 1.326 5.669 199 H ASN 28 H ASN 28 -2.050 1.765 1.088 200 HA ASN 28 HA ASN 28 -4.332 2.930 2.201 201 1HB ASN 28 1HB ASN 28 -2.760 4.770 0.434 202 2HB ASN 28 2HB ASN 28 -4.436 4.583 -0.033 203 1HD2 ASN 28 1HD2 ASN 28 -5.779 5.970 3.077 204 2HD2 ASN 28 2HD2 ASN 28 -6.014 4.570 2.052 205 H VAL 29 H VAL 29 -6.177 3.016 0.505 206 HA VAL 29 HA VAL 29 -5.788 1.020 -1.639 207 HB VAL 29 HB VAL 29 -8.096 0.087 -0.792 208 1HG1 VAL 29 1HG1 VAL 29 -5.405 -0.678 0.336 209 2HG1 VAL 29 2HG1 VAL 29 -6.878 -1.649 0.537 210 3HG1 VAL 29 3HG1 VAL 29 -6.255 -1.318 -1.080 211 1HG2 VAL 29 1HG2 VAL 29 -8.328 1.685 1.104 212 2HG2 VAL 29 2HG2 VAL 29 -8.350 -0.018 1.609 213 3HG2 VAL 29 3HG2 VAL 29 -6.899 0.957 1.874 214 H THR 30 H THR 30 -7.015 1.224 -3.364 215 HA THR 30 HA THR 30 -8.432 3.657 -3.940 216 HB THR 30 HB THR 30 -8.156 1.039 -5.477 217 HG1 THR 30 HG1 THR 30 -6.691 3.458 -5.571 218 1HG2 THR 30 1HG2 THR 30 -8.671 2.361 -7.461 219 2HG2 THR 30 2HG2 THR 30 -10.026 2.479 -6.326 220 H GLY 31 H GLY 31 -10.296 3.946 -2.800 221 1HA GLY 31 1HA GLY 31 -12.055 1.716 -2.085 222 2HA GLY 31 2HA GLY 31 -12.123 3.405 -1.573 223 H VAL 32 H VAL 32 -12.935 1.177 -4.227 224 HA VAL 32 HA VAL 32 -14.558 3.183 -5.624 225 HB VAL 32 HB VAL 32 -14.925 1.504 -7.273 226 1HG1 VAL 32 1HG1 VAL 32 -12.664 2.592 -7.217 227 2HG1 VAL 32 2HG1 VAL 32 -12.043 1.186 -6.326 228 3HG1 VAL 32 3HG1 VAL 32 -12.658 0.989 -7.969 229 1HG2 VAL 32 1HG2 VAL 32 -15.335 -0.492 -5.840 230 2HG2 VAL 32 2HG2 VAL 32 -14.151 -0.807 -7.108 231 3HG2 VAL 32 3HG2 VAL 32 -13.609 -0.543 -5.441 232 H ASP 33 H ASP 33 -16.878 2.598 -6.203 233 HA ASP 33 HA ASP 33 -18.369 1.536 -3.892 234 1HB ASP 33 1HB ASP 33 -20.367 1.999 -5.166 235 2HB ASP 33 2HB ASP 33 -19.342 3.426 -5.060 236 H SER 34 H SER 34 -17.526 0.646 -7.245 237 HA SER 34 HA SER 34 -17.443 -2.155 -6.748 238 1HB SER 34 1HB SER 34 -19.915 -2.017 -6.710 239 2HB SER 34 2HB SER 34 -19.904 -1.132 -8.247 240 HG SER 34 HG SER 34 -20.294 -3.360 -8.510 241 H LYS 35 H LYS 35 -18.246 0.275 -9.241 242 HA LYS 35 HA LYS 35 -17.145 -1.422 -11.315 243 1HB LYS 35 1HB LYS 35 -18.362 0.040 -12.816 244 2HB LYS 35 2HB LYS 35 -19.347 -0.498 -11.459 245 1HG LYS 35 1HG LYS 35 -18.911 1.765 -10.339 246 2HG LYS 35 2HG LYS 35 -18.079 2.254 -11.818 247 1HD LYS 35 1HD LYS 35 -20.256 3.127 -11.960 248 2HD LYS 35 2HD LYS 35 -20.217 1.760 -13.087 249 1HE LYS 35 1HE LYS 35 -21.406 0.355 -11.413 250 2HE LYS 35 2HE LYS 35 -21.334 1.684 -10.239 251 1HZ LYS 35 1HZ LYS 35 -22.678 2.972 -11.717 252 2HZ LYS 35 2HZ LYS 35 -22.742 1.736 -12.806 253 3HZ LYS 35 3HZ LYS 35 -23.433 1.561 -11.319 254 H GLY 36 H GLY 36 -14.983 -0.410 -9.782 255 1HA GLY 36 1HA GLY 36 -12.869 0.360 -10.179 256 2HA GLY 36 2HA GLY 36 -13.262 0.226 -11.895 257 H ASN 37 H ASN 37 -14.134 2.365 -9.131 258 HA ASN 37 HA ASN 37 -13.309 4.782 -10.546 259 1HB ASN 37 1HB ASN 37 -15.518 5.816 -10.499 260 2HB ASN 37 2HB ASN 37 -15.438 4.452 -11.614 261 1HD2 ASN 37 1HD2 ASN 37 -18.653 4.451 -9.566 262 2HD2 ASN 37 2HD2 ASN 37 -17.804 5.717 -10.429 263 H GLU 38 H GLU 38 -12.017 5.378 -8.937 264 HA GLU 38 HA GLU 38 -12.353 4.849 -6.221 265 1HB GLU 38 1HB GLU 38 -10.241 5.400 -7.476 266 2HB GLU 38 2HB GLU 38 -10.729 7.097 -7.473 267 1HG GLU 38 1HG GLU 38 -10.806 7.006 -4.951 268 2HG GLU 38 2HG GLU 38 -10.224 5.342 -5.023 269 H LEU 39 H LEU 39 -13.753 5.666 -4.789 270 HA LEU 39 HA LEU 39 -15.295 8.086 -5.247 271 1HB LEU 39 1HB LEU 39 -15.015 6.366 -2.752 272 2HB LEU 39 2HB LEU 39 -16.272 7.564 -3.064 273 HG LEU 39 HG LEU 39 -15.867 4.985 -4.659 274 1HD1 LEU 39 1HD1 LEU 39 -16.567 4.594 -2.325 275 2HD1 LEU 39 2HD1 LEU 39 -17.924 5.721 -2.539 276 3HD1 LEU 39 3HD1 LEU 39 -17.865 4.206 -3.461 277 1HD2 LEU 39 1HD2 LEU 39 -18.082 7.077 -4.752 278 2HD2 LEU 39 2HD2 LEU 39 -16.925 6.701 -6.051 279 3HD2 LEU 39 3HD2 LEU 39 -18.121 5.498 -5.565 280 H LEU 40 H LEU 40 -12.693 7.053 -3.016 281 HA LEU 40 HA LEU 40 -12.623 9.643 -1.675 282 1HB LEU 40 1HB LEU 40 -10.775 7.275 -1.290 283 2HB LEU 40 2HB LEU 40 -11.156 8.563 -0.138 284 HG LEU 40 HG LEU 40 -12.995 6.311 -1.054 285 1HD1 LEU 40 1HD1 LEU 40 -11.694 6.983 1.617 286 2HD1 LEU 40 2HD1 LEU 40 -12.852 5.673 1.334 287 3HD1 LEU 40 3HD1 LEU 40 -11.266 5.637 0.537 288 1HD2 LEU 40 1HD2 LEU 40 -14.325 8.409 -0.666 289 2HD2 LEU 40 2HD2 LEU 40 -14.637 7.152 0.532 290 3HD2 LEU 40 3HD2 LEU 40 -13.595 8.525 0.953 291 H SER 41 H SER 41 -10.075 10.057 -1.035 292 HA SER 41 HA SER 41 -8.314 9.927 -3.423 293 1HB SER 41 1HB SER 41 -7.371 12.130 -2.813 294 2HB SER 41 2HB SER 41 -9.021 12.198 -3.453 295 HG SER 41 HG SER 41 -8.776 13.499 -1.626 296 HA PRO 42 HA PRO 42 -6.997 7.995 0.557 297 1HB PRO 42 1HB PRO 42 -6.576 5.466 -0.243 298 2HB PRO 42 2HB PRO 42 -8.214 6.162 -0.217 299 1HG PRO 42 1HG PRO 42 -6.381 5.909 -2.623 300 2HG PRO 42 2HG PRO 42 -8.099 5.440 -2.487 301 1HD PRO 42 1HD PRO 42 -7.255 7.859 -3.495 302 2HD PRO 42 2HD PRO 42 -8.830 7.605 -2.685 303 H HIS 43 H HIS 43 -5.220 9.610 0.263 304 HA HIS 43 HA HIS 43 -2.623 8.282 -0.144 305 1HB HIS 43 1HB HIS 43 -3.530 10.726 -1.712 306 2HB HIS 43 2HB HIS 43 -1.854 10.199 -1.576 307 HD1 HIS 43 HD1 HIS 43 -1.190 7.935 -2.899 308 HD2 HIS 43 HD2 HIS 43 -5.130 9.337 -3.368 309 HE1 HIS 43 HE1 HIS 43 -2.199 6.649 -4.863 310 H TYR 44 H TYR 44 -2.529 8.506 2.163 311 HA TYR 44 HA TYR 44 -1.504 11.089 3.015 312 1HB TYR 44 1HB TYR 44 -3.101 11.165 5.008 313 2HB TYR 44 2HB TYR 44 -3.592 11.806 3.456 314 HD1 TYR 44 HD1 TYR 44 -5.306 10.743 2.065 315 HD2 TYR 44 HD2 TYR 44 -4.358 9.333 6.019 316 HE1 TYR 44 HE1 TYR 44 -7.498 9.617 2.184 317 HE2 TYR 44 HE2 TYR 44 -6.522 8.123 6.100 318 HH TYR 44 HH TYR 44 -8.903 8.299 3.422 319 H VAL 45 H VAL 45 -2.520 7.800 4.175 320 HA VAL 45 HA VAL 45 -0.586 7.916 6.333 321 HB VAL 45 HB VAL 45 -2.105 5.538 5.217 322 1HG1 VAL 45 1HG1 VAL 45 -0.610 5.917 7.849 323 2HG1 VAL 45 2HG1 VAL 45 -1.598 4.507 7.412 324 3HG1 VAL 45 3HG1 VAL 45 -0.114 4.849 6.520 325 1HG2 VAL 45 1HG2 VAL 45 -2.731 7.489 7.463 326 2HG2 VAL 45 2HG2 VAL 45 -3.706 7.106 6.022 327 3HG2 VAL 45 3HG2 VAL 45 -3.507 5.903 7.295 328 H GLU 46 H GLU 46 1.546 7.669 6.128 329 HA GLU 46 HA GLU 46 2.725 5.645 4.396 330 1HB GLU 46 1HB GLU 46 2.494 7.436 2.790 331 2HB GLU 46 2HB GLU 46 3.126 8.613 3.937 332 1HG GLU 46 1HG GLU 46 5.362 7.477 3.814 333 2HG GLU 46 2HG GLU 46 4.687 6.355 2.621 334 H PHE 47 H PHE 47 4.883 5.220 4.923 335 HA PHE 47 HA PHE 47 6.001 6.511 7.361 336 1HB PHE 47 1HB PHE 47 5.997 3.540 6.704 337 2HB PHE 47 2HB PHE 47 6.671 4.286 8.146 338 HD1 PHE 47 HD1 PHE 47 5.131 5.333 9.857 339 HD2 PHE 47 HD2 PHE 47 3.609 3.150 6.467 340 HE1 PHE 47 HE1 PHE 47 2.884 5.260 10.906 341 HE2 PHE 47 HE2 PHE 47 1.364 3.087 7.515 342 HZ PHE 47 1HZ PHE 47 0.996 4.142 9.734 343 HA PRO 48 HA PRO 48 9.632 6.547 4.706 344 1HB PRO 48 1HB PRO 48 11.614 7.159 6.439 345 2HB PRO 48 2HB PRO 48 10.241 8.253 6.191 346 1HG PRO 48 1HG PRO 48 10.532 6.192 8.399 347 2HG PRO 48 2HG PRO 48 10.178 7.935 8.575 348 1HD PRO 48 1HD PRO 48 8.201 6.044 8.522 349 2HD PRO 48 2HD PRO 48 7.978 7.658 7.785 350 H ILE 49 H ILE 49 8.884 4.053 4.691 351 HA ILE 49 HA ILE 49 9.191 1.886 4.981 352 HB ILE 49 HB ILE 49 10.426 2.182 3.050 353 1HG1 ILE 49 1HG1 ILE 49 11.967 0.366 3.009 354 2HG1 ILE 49 2HG1 ILE 49 12.218 0.454 4.786 355 1HG2 ILE 49 1HG2 ILE 49 12.889 2.919 4.675 356 2HG2 ILE 49 2HG2 ILE 49 12.843 2.609 2.935 357 3HG2 ILE 49 3HG2 ILE 49 11.947 3.978 3.599 358 1HD1 ILE 49 1HD1 ILE 49 9.550 -0.213 3.468 359 2HD1 ILE 49 2HD1 ILE 49 10.733 -1.429 3.996 360 3HD1 ILE 49 3HD1 ILE 49 9.969 -0.372 5.187 361 H LYS 50 H LYS 50 8.752 1.488 7.064 362 HA LYS 50 HA LYS 50 10.999 1.222 9.003 363 1HB LYS 50 1HB LYS 50 9.211 2.748 9.573 364 2HB LYS 50 2HB LYS 50 8.015 1.450 9.461 365 1HG LYS 50 1HG LYS 50 9.195 0.211 11.265 366 2HG LYS 50 2HG LYS 50 10.418 1.486 11.360 367 1HD LYS 50 1HD LYS 50 7.437 1.886 11.892 368 2HD LYS 50 2HD LYS 50 8.662 1.584 13.135 369 1HE LYS 50 1HE LYS 50 9.876 3.657 12.412 370 2HE LYS 50 2HE LYS 50 8.543 4.014 11.294 371 1HZ LYS 50 1HZ LYS 50 8.305 3.741 14.196 372 2HZ LYS 50 2HZ LYS 50 8.301 5.154 13.346 373 3HZ LYS 50 3HZ LYS 50 7.072 4.072 13.152 374 HA PRO 51 HA PRO 51 9.904 -3.094 7.719 375 1HB PRO 51 1HB PRO 51 12.352 -4.271 8.006 376 2HB PRO 51 2HB PRO 51 11.961 -3.216 6.615 377 1HG PRO 51 1HG PRO 51 13.373 -2.430 9.178 378 2HG PRO 51 2HG PRO 51 13.912 -2.133 7.498 379 1HD PRO 51 1HD PRO 51 12.601 -0.243 8.899 380 2HD PRO 51 2HD PRO 51 12.255 -0.493 7.157 381 H GLY 52 H GLY 52 9.705 -5.061 8.943 382 1HA GLY 52 1HA GLY 52 10.525 -6.036 11.226 383 2HA GLY 52 2HA GLY 52 9.662 -4.636 11.889 384 H THR 53 H THR 53 7.455 -4.393 10.314 385 HA THR 53 HA THR 53 5.709 -6.370 11.342 386 HB THR 53 HB THR 53 5.060 -4.049 10.853 387 HG1 THR 53 HG1 THR 53 3.055 -4.608 9.942 388 1HG2 THR 53 1HG2 THR 53 6.252 -3.746 8.661 389 2HG2 THR 53 2HG2 THR 53 5.072 -4.840 7.903 390 H THR 54 H THR 54 4.536 -8.044 10.317 391 HA THR 54 HA THR 54 6.118 -9.475 8.386 392 HB THR 54 HB THR 54 3.400 -10.281 9.421 393 HG1 THR 54 HG1 THR 54 5.961 -10.637 10.588 394 1HG2 THR 54 1HG2 THR 54 5.840 -11.893 8.560 395 2HG2 THR 54 2HG2 THR 54 4.270 -12.539 9.086 396 H LEU 55 H LEU 55 5.997 -9.164 6.241 397 HA LEU 55 HA LEU 55 3.815 -7.765 4.961 398 1HB LEU 55 1HB LEU 55 6.279 -7.574 4.440 399 2HB LEU 55 2HB LEU 55 6.235 -9.171 3.729 400 HG LEU 55 HG LEU 55 6.180 -7.304 2.123 401 1HD1 LEU 55 1HD1 LEU 55 5.131 -9.518 1.552 402 2HD1 LEU 55 2HD1 LEU 55 3.551 -8.805 1.942 403 3HD1 LEU 55 3HD1 LEU 55 4.527 -8.143 0.622 404 1HD2 LEU 55 1HD2 LEU 55 4.777 -5.748 3.571 405 2HD2 LEU 55 2HD2 LEU 55 4.355 -5.802 1.855 406 3HD2 LEU 55 3HD2 LEU 55 3.350 -6.658 3.034 407 H THR 56 H THR 56 2.035 -9.119 5.369 408 HA THR 56 HA THR 56 1.766 -11.530 3.695 409 HB THR 56 HB THR 56 0.700 -12.615 5.815 410 HG1 THR 56 HG1 THR 56 1.709 -11.990 7.737 411 1HG2 THR 56 1HG2 THR 56 2.796 -13.687 6.450 412 2HG2 THR 56 2HG2 THR 56 2.676 -13.520 4.686 413 H LYS 57 H LYS 57 -0.361 -12.159 3.340 414 HA LYS 57 HA LYS 57 -2.210 -10.160 2.854 415 1HB LYS 57 1HB LYS 57 -2.123 -12.461 1.841 416 2HB LYS 57 2HB LYS 57 -2.760 -13.109 3.342 417 1HG LYS 57 1HG LYS 57 -4.557 -11.013 2.640 418 2HG LYS 57 2HG LYS 57 -4.103 -11.752 1.113 419 1HD LYS 57 1HD LYS 57 -6.102 -12.789 1.947 420 2HD LYS 57 2HD LYS 57 -4.796 -13.982 1.995 421 1HE LYS 57 1HE LYS 57 -4.577 -13.701 4.427 422 2HE LYS 57 2HE LYS 57 -5.664 -12.308 4.400 423 1HZ LYS 57 1HZ LYS 57 -7.412 -13.769 3.715 424 2HZ LYS 57 2HZ LYS 57 -6.390 -15.065 3.729 425 3HZ LYS 57 3HZ LYS 57 -6.747 -14.279 5.136 426 H GLU 58 H GLU 58 -2.256 -12.533 5.561 427 HA GLU 58 HA GLU 58 -4.616 -11.834 6.762 428 1HB GLU 58 1HB GLU 58 -3.745 -12.873 8.789 429 2HB GLU 58 2HB GLU 58 -3.349 -13.787 7.333 430 1HG GLU 58 1HG GLU 58 -1.043 -12.610 7.404 431 2HG GLU 58 2HG GLU 58 -1.490 -12.091 9.037 432 H LYS 59 H LYS 59 -1.430 -10.247 7.392 433 HA LYS 59 HA LYS 59 -2.601 -8.443 9.339 434 1HB LYS 59 1HB LYS 59 0.130 -8.425 8.012 435 2HB LYS 59 2HB LYS 59 -0.431 -7.311 9.274 436 1HG LYS 59 1HG LYS 59 -1.020 -9.461 10.635 437 2HG LYS 59 2HG LYS 59 0.037 -10.294 9.479 438 1HD LYS 59 1HD LYS 59 1.901 -8.787 10.121 439 2HD LYS 59 2HD LYS 59 0.817 -7.875 11.176 440 1HE LYS 59 1HE LYS 59 2.186 -9.427 12.491 441 2HE LYS 59 2HE LYS 59 0.461 -9.811 12.618 442 1HZ LYS 59 1HZ LYS 59 0.793 -11.553 11.021 443 2HZ LYS 59 2HZ LYS 59 2.400 -11.200 10.909 444 3HZ LYS 59 3HZ LYS 59 1.776 -11.758 12.327 445 H ILE 60 H ILE 60 -1.434 -8.096 5.971 446 HA ILE 60 HA ILE 60 -1.850 -5.364 5.684 447 HB ILE 60 HB ILE 60 -1.863 -7.643 3.702 448 1HG1 ILE 60 1HG1 ILE 60 0.291 -7.129 4.854 449 2HG1 ILE 60 2HG1 ILE 60 0.319 -6.882 3.096 450 1HG2 ILE 60 1HG2 ILE 60 -2.104 -4.685 3.065 451 2HG2 ILE 60 2HG2 ILE 60 -1.536 -5.909 1.909 452 3HG2 ILE 60 3HG2 ILE 60 -3.171 -6.010 2.565 453 1HD1 ILE 60 1HD1 ILE 60 0.110 -4.406 3.507 454 2HD1 ILE 60 2HD1 ILE 60 0.200 -4.722 5.253 455 3HD1 ILE 60 3HD1 ILE 60 1.561 -5.130 4.208 456 H GLU 61 H GLU 61 -4.300 -7.952 5.317 457 HA GLU 61 HA GLU 61 -6.297 -6.487 4.044 458 1HB GLU 61 1HB GLU 61 -6.353 -8.765 6.042 459 2HB GLU 61 2HB GLU 61 -7.857 -8.030 5.469 460 1HG GLU 61 1HG GLU 61 -7.158 -8.426 3.108 461 2HG GLU 61 2HG GLU 61 -5.730 -9.275 3.685 462 H TYR 62 H TYR 62 -6.048 -6.893 7.647 463 HA TYR 62 HA TYR 62 -8.048 -4.861 8.071 464 1HB TYR 62 1HB TYR 62 -7.583 -5.114 10.416 465 2HB TYR 62 2HB TYR 62 -7.837 -6.653 9.619 466 HD1 TYR 62 HD1 TYR 62 -5.154 -4.380 10.964 467 HD2 TYR 62 HD2 TYR 62 -6.299 -8.416 9.960 468 HE1 TYR 62 HE1 TYR 62 -3.118 -5.232 12.070 469 HE2 TYR 62 HE2 TYR 62 -4.332 -9.271 11.192 470 HH TYR 62 HH TYR 62 -1.909 -7.091 12.686 471 H TYR 63 H TYR 63 -4.480 -4.850 8.027 472 HA TYR 63 HA TYR 63 -4.107 -2.393 9.351 473 1HB TYR 63 1HB TYR 63 -2.368 -4.065 9.081 474 2HB TYR 63 2HB TYR 63 -2.405 -3.872 7.329 475 HD1 TYR 63 HD1 TYR 63 -1.928 -1.777 10.433 476 HD2 TYR 63 HD2 TYR 63 -0.724 -2.546 6.363 477 HE1 TYR 63 HE1 TYR 63 -0.124 -0.091 10.645 478 HE2 TYR 63 HE2 TYR 63 1.116 -0.911 6.599 479 HH TYR 63 HH TYR 63 2.161 0.615 7.973 480 H VAL 64 H VAL 64 -4.284 -3.106 5.821 481 HA VAL 64 HA VAL 64 -3.926 -0.363 5.069 482 HB VAL 64 HB VAL 64 -3.414 -2.539 3.750 483 1HG1 VAL 64 1HG1 VAL 64 -5.803 -3.400 3.772 484 2HG1 VAL 64 2HG1 VAL 64 -6.246 -2.046 2.726 485 3HG1 VAL 64 3HG1 VAL 64 -5.089 -3.260 2.157 486 1HG2 VAL 64 1HG2 VAL 64 -4.611 -0.088 2.423 487 2HG2 VAL 64 2HG2 VAL 64 -2.925 -0.322 2.917 488 3HG2 VAL 64 3HG2 VAL 64 -3.594 -1.317 1.624 489 H GLU 65 H GLU 65 -6.737 -2.344 5.892 490 HA GLU 65 HA GLU 65 -8.753 -0.568 4.883 491 1HB GLU 65 1HB GLU 65 -9.195 -2.900 5.494 492 2HB GLU 65 2HB GLU 65 -8.833 -2.547 7.191 493 1HG GLU 65 1HG GLU 65 -10.738 -0.981 7.294 494 2HG GLU 65 2HG GLU 65 -11.047 -1.229 5.567 495 H TRP 66 H TRP 66 -7.007 -0.861 8.026 496 HA TRP 66 HA TRP 66 -8.303 1.371 9.295 497 1HB TRP 66 1HB TRP 66 -5.570 0.228 9.855 498 2HB TRP 66 2HB TRP 66 -6.554 1.216 10.930 499 HD1 TRP 66 HD1 TRP 66 -5.353 -1.528 11.762 500 HE1 TRP 66 HE1 TRP 66 -6.816 -3.451 12.541 501 HE3 TRP 66 HE3 TRP 66 -9.840 -0.103 9.630 502 HZ2 TRP 66 HZ2 TRP 66 -9.556 -4.306 12.270 503 HZ3 TRP 66 HZ3 TRP 66 -11.819 -1.510 9.911 504 HH2 TRP 66 HH2 TRP 66 -11.706 -3.618 11.217 505 H ALA 67 H ALA 67 -5.785 1.237 6.842 506 HA ALA 67 HA ALA 67 -4.609 3.772 7.476 507 1HB ALA 67 1HB ALA 67 -3.490 2.047 6.131 508 2HB ALA 67 2HB ALA 67 -4.646 2.325 4.805 509 3HB ALA 67 3HB ALA 67 -3.556 3.621 5.314 510 H LEU 68 H LEU 68 -7.191 2.768 5.132 511 HA LEU 68 HA LEU 68 -7.765 5.480 4.357 512 1HB LEU 68 1HB LEU 68 -9.292 4.656 2.930 513 2HB LEU 68 2HB LEU 68 -8.291 3.234 3.152 514 HG LEU 68 HG LEU 68 -10.132 2.643 5.018 515 1HD1 LEU 68 1HD1 LEU 68 -11.680 4.392 3.050 516 2HD1 LEU 68 2HD1 LEU 68 -12.386 3.371 4.310 517 3HD1 LEU 68 3HD1 LEU 68 -11.437 4.791 4.757 518 1HD2 LEU 68 1HD2 LEU 68 -10.550 2.334 2.036 519 2HD2 LEU 68 2HD2 LEU 68 -9.661 1.243 3.130 520 3HD2 LEU 68 3HD2 LEU 68 -11.411 1.426 3.299 521 H ASP 69 H ASP 69 -8.972 3.244 6.841 522 HA ASP 69 HA ASP 69 -10.888 5.228 7.895 523 1HB ASP 69 1HB ASP 69 -10.294 2.323 8.596 524 2HB ASP 69 2HB ASP 69 -11.521 3.300 9.383 525 H ALA 70 H ALA 70 -8.449 6.293 8.090 526 HA ALA 70 HA ALA 70 -7.627 6.007 10.958 527 1HB ALA 70 1HB ALA 70 -6.116 7.122 8.554 528 2HB ALA 70 2HB ALA 70 -5.566 7.176 10.241 529 3HB ALA 70 3HB ALA 70 -5.758 5.620 9.423 530 H THR 71 H THR 71 -7.935 8.389 8.296 531 HA THR 71 HA THR 71 -8.221 10.615 10.133 532 HB THR 71 HB THR 71 -8.338 11.931 8.042 533 HG1 THR 71 HG1 THR 71 -7.968 10.753 6.088 534 1HG2 THR 71 1HG2 THR 71 -6.147 11.371 9.033 535 2HG2 THR 71 2HG2 THR 71 -6.090 9.860 8.101 536 H ALA 72 H ALA 72 -10.332 9.021 7.683 537 HA ALA 72 HA ALA 72 -12.628 10.666 8.437 538 1HB ALA 72 1HB ALA 72 -12.267 8.431 6.407 539 2HB ALA 72 2HB ALA 72 -13.738 9.420 6.621 540 3HB ALA 72 3HB ALA 72 -12.223 10.176 6.112 541 H TYR 73 H TYR 73 -13.157 7.264 7.779 542 HA TYR 73 HA TYR 73 -14.181 5.636 8.853 543 1HB TYR 73 1HB TYR 73 -11.975 5.501 9.899 544 2HB TYR 73 2HB TYR 73 -12.469 6.590 11.177 545 HD1 TYR 73 HD1 TYR 73 -14.049 3.505 9.608 546 HD2 TYR 73 HD2 TYR 73 -12.665 5.444 13.211 547 HE1 TYR 73 HE1 TYR 73 -14.814 1.579 10.940 548 HE2 TYR 73 HE2 TYR 73 -13.442 3.507 14.539 549 HH TYR 73 HH TYR 73 -14.998 0.648 13.035 550 H LYS 74 H LYS 74 -16.312 6.396 8.748 551 HA LYS 74 HA LYS 74 -17.574 6.578 11.337 552 1HB LYS 74 1HB LYS 74 -16.880 8.984 10.875 553 2HB LYS 74 2HB LYS 74 -17.960 8.957 9.476 554 1HG LYS 74 1HG LYS 74 -19.884 8.495 10.968 555 2HG LYS 74 2HG LYS 74 -18.784 8.439 12.363 556 1HD LYS 74 1HD LYS 74 -18.107 10.795 11.903 557 2HD LYS 74 2HD LYS 74 -19.258 10.850 10.551 558 1HE LYS 74 1HE LYS 74 -21.127 10.423 12.122 559 2HE LYS 74 2HE LYS 74 -19.976 10.326 13.473 560 1HZ LYS 74 1HZ LYS 74 -19.368 12.586 13.041 561 2HZ LYS 74 2HZ LYS 74 -20.441 12.683 11.792 562 3HZ LYS 74 3HZ LYS 74 -20.986 12.465 13.334 563 H GLU 75 H GLU 75 -17.975 7.129 7.823 564 HA GLU 75 HA GLU 75 -20.518 5.552 7.833 565 1HB GLU 75 1HB GLU 75 -19.686 7.920 6.120 566 2HB GLU 75 2HB GLU 75 -21.207 7.034 5.982 567 1HG GLU 75 1HG GLU 75 -21.840 7.698 8.268 568 2HG GLU 75 2HG GLU 75 -20.325 8.596 8.449 569 H PHE 76 H PHE 76 -18.244 4.096 7.684 570 HA PHE 76 HA PHE 76 -18.202 3.189 4.861 571 1HB PHE 76 1HB PHE 76 -15.749 3.703 6.579 572 2HB PHE 76 2HB PHE 76 -15.747 2.832 5.045 573 HD1 PHE 76 HD1 PHE 76 -17.357 4.409 3.212 574 HD2 PHE 76 HD2 PHE 76 -14.551 5.704 6.229 575 HE1 PHE 76 HE1 PHE 76 -16.942 6.480 1.941 576 HE2 PHE 76 HE2 PHE 76 -14.069 7.729 4.884 577 HZ PHE 76 1HZ PHE 76 -15.291 8.137 2.766 578 H ARG 77 H ARG 77 -19.521 1.511 5.394 579 HA ARG 77 HA ARG 77 -18.912 -0.392 7.495 580 1HB ARG 77 1HB ARG 77 -21.171 -0.138 6.919 581 2HB ARG 77 2HB ARG 77 -20.860 -0.278 5.184 582 1HG ARG 77 1HG ARG 77 -20.364 -2.634 5.369 583 2HG ARG 77 2HG ARG 77 -20.397 -2.559 7.146 584 1HD ARG 77 1HD ARG 77 -22.790 -2.145 7.142 585 2HD ARG 77 2HD ARG 77 -22.788 -1.866 5.396 586 HE ARG 77 HE ARG 77 -22.926 -4.081 4.992 587 1HH1 ARG 77 1HH1 ARG 77 -21.802 -3.728 8.357 588 2HH1 ARG 77 2HH1 ARG 77 -21.853 -5.448 8.660 589 1HH2 ARG 77 1HH2 ARG 77 -22.977 -6.303 5.430 590 2HH2 ARG 77 2HH2 ARG 77 -22.521 -6.906 7.007 591 H VAL 78 H VAL 78 -18.297 -0.165 3.984 592 HA VAL 78 HA VAL 78 -16.894 -1.212 2.609 593 HB VAL 78 HB VAL 78 -15.689 -2.734 4.934 594 1HG1 VAL 78 1HG1 VAL 78 -14.705 -2.194 2.108 595 2HG1 VAL 78 2HG1 VAL 78 -13.784 -2.980 3.405 596 3HG1 VAL 78 3HG1 VAL 78 -15.226 -3.766 2.755 597 1HG2 VAL 78 1HG2 VAL 78 -14.906 -0.100 3.598 598 2HG2 VAL 78 2HG2 VAL 78 -15.452 -0.292 5.277 599 3HG2 VAL 78 3HG2 VAL 78 -13.912 -0.989 4.767 600 H VAL 79 H VAL 79 -17.873 -2.471 1.147 601 HA VAL 79 HA VAL 79 -19.618 -4.660 1.770 602 HB VAL 79 HB VAL 79 -18.138 -4.058 -0.840 603 1HG1 VAL 79 1HG1 VAL 79 -20.566 -5.803 -0.259 604 2HG1 VAL 79 2HG1 VAL 79 -19.948 -5.402 -1.875 605 3HG1 VAL 79 3HG1 VAL 79 -18.967 -6.373 -0.780 606 1HG2 VAL 79 1HG2 VAL 79 -20.939 -3.259 0.012 607 2HG2 VAL 79 2HG2 VAL 79 -19.554 -2.166 -0.279 608 3HG2 VAL 79 3HG2 VAL 79 -20.253 -3.076 -1.613 609 H GLU 80 H GLU 80 -16.440 -4.662 0.129 610 HA GLU 80 HA GLU 80 -15.423 -6.908 1.736 611 1HB GLU 80 1HB GLU 80 -15.854 -6.919 -1.289 612 2HB GLU 80 2HB GLU 80 -14.631 -7.934 -0.528 613 1HG GLU 80 1HG GLU 80 -17.611 -8.080 0.073 614 2HG GLU 80 2HG GLU 80 -16.699 -9.171 -0.968 615 H LEU 81 H LEU 81 -13.153 -7.257 1.297 616 HA LEU 81 HA LEU 81 -11.700 -5.066 -0.050 617 1HB LEU 81 1HB LEU 81 -10.010 -5.002 1.724 618 2HB LEU 81 2HB LEU 81 -11.604 -4.491 2.266 619 HG LEU 81 HG LEU 81 -11.718 -7.133 2.994 620 1HD1 LEU 81 1HD1 LEU 81 -9.318 -7.491 2.232 621 2HD1 LEU 81 2HD1 LEU 81 -8.820 -6.306 3.450 622 3HD1 LEU 81 3HD1 LEU 81 -9.612 -7.819 3.946 623 1HD2 LEU 81 1HD2 LEU 81 -10.492 -4.851 4.590 624 2HD2 LEU 81 2HD2 LEU 81 -12.224 -5.223 4.437 625 3HD2 LEU 81 3HD2 LEU 81 -11.146 -6.358 5.267 626 H ASP 82 H ASP 82 -10.255 -5.848 -1.473 627 HA ASP 82 HA ASP 82 -10.571 -8.570 -2.122 628 1HB ASP 82 1HB ASP 82 -8.705 -6.461 -3.247 629 2HB ASP 82 2HB ASP 82 -8.894 -8.079 -3.924 630 HA PRO 83 HA PRO 83 -7.141 -10.187 0.320 631 1HB PRO 83 1HB PRO 83 -7.060 -12.752 -0.571 632 2HB PRO 83 2HB PRO 83 -8.435 -12.126 0.386 633 1HG PRO 83 1HG PRO 83 -8.253 -12.351 -2.633 634 2HG PRO 83 2HG PRO 83 -9.560 -12.950 -1.569 635 1HD PRO 83 1HD PRO 83 -9.717 -10.551 -2.841 636 2HD PRO 83 2HD PRO 83 -10.365 -10.756 -1.183 637 H SER 84 H SER 84 -7.218 -10.097 -3.212 638 HA SER 84 HA SER 84 -4.421 -10.855 -3.570 639 1HB SER 84 1HB SER 84 -6.513 -9.760 -5.492 640 2HB SER 84 2HB SER 84 -4.910 -10.386 -5.939 641 HG SER 84 HG SER 84 -5.535 -12.379 -5.002 642 H ALA 85 H ALA 85 -3.877 -9.094 -1.883 643 HA ALA 85 HA ALA 85 -3.691 -6.367 -2.845 644 1HB ALA 85 1HB ALA 85 -3.786 -6.919 -0.431 645 2HB ALA 85 2HB ALA 85 -2.249 -7.797 -0.570 646 3HB ALA 85 3HB ALA 85 -2.297 -6.043 -0.833 647 H LYS 86 H LYS 86 -1.488 -5.300 -3.061 648 HA LYS 86 HA LYS 86 0.585 -7.047 -4.189 649 1HB LYS 86 1HB LYS 86 0.625 -5.979 -6.335 650 2HB LYS 86 2HB LYS 86 -0.948 -6.736 -6.045 651 1HG LYS 86 1HG LYS 86 -1.814 -4.430 -5.351 652 2HG LYS 86 2HG LYS 86 -0.284 -3.765 -5.946 653 1HD LYS 86 1HD LYS 86 -2.405 -5.252 -7.543 654 2HD LYS 86 2HD LYS 86 -1.970 -3.537 -7.641 655 1HE LYS 86 1HE LYS 86 0.362 -4.290 -8.377 656 2HE LYS 86 2HE LYS 86 -0.297 -5.929 -8.517 657 1HZ LYS 86 1HZ LYS 86 -1.887 -5.084 -10.075 658 2HZ LYS 86 2HZ LYS 86 -1.264 -3.562 -9.947 659 3HZ LYS 86 3HZ LYS 86 -0.347 -4.777 -10.582 660 H ILE 87 H ILE 87 2.526 -6.383 -3.882 661 HA ILE 87 HA ILE 87 3.153 -3.657 -2.874 662 HB ILE 87 HB ILE 87 4.669 -6.305 -2.947 663 1HG1 ILE 87 1HG1 ILE 87 4.855 -5.981 -0.520 664 2HG1 ILE 87 2HG1 ILE 87 3.844 -4.495 -0.626 665 1HG2 ILE 87 1HG2 ILE 87 5.660 -3.526 -2.212 666 2HG2 ILE 87 2HG2 ILE 87 6.509 -5.031 -1.791 667 3HG2 ILE 87 3HG2 ILE 87 6.300 -4.594 -3.480 668 1HD1 ILE 87 1HD1 ILE 87 2.906 -7.302 -1.386 669 2HD1 ILE 87 2HD1 ILE 87 2.668 -6.564 0.207 670 3HD1 ILE 87 3HD1 ILE 87 1.897 -5.845 -1.199 671 H GLU 88 H GLU 88 3.581 -2.260 -4.521 672 HA GLU 88 HA GLU 88 4.862 -3.253 -7.048 673 1HB GLU 88 1HB GLU 88 3.139 -0.813 -6.495 674 2HB GLU 88 2HB GLU 88 3.948 -1.177 -8.030 675 1HG GLU 88 1HG GLU 88 2.671 -3.256 -8.249 676 2HG GLU 88 2HG GLU 88 1.890 -2.977 -6.685 677 H VAL 89 H VAL 89 6.657 -3.244 -5.182 678 HA VAL 89 HA VAL 89 7.676 -0.763 -4.348 679 HB VAL 89 HB VAL 89 8.048 -2.773 -3.126 680 1HG1 VAL 89 1HG1 VAL 89 8.392 -4.392 -5.027 681 2HG1 VAL 89 2HG1 VAL 89 10.038 -3.739 -5.209 682 3HG1 VAL 89 3HG1 VAL 89 9.558 -4.531 -3.707 683 1HG2 VAL 89 1HG2 VAL 89 9.639 -0.909 -2.832 684 2HG2 VAL 89 2HG2 VAL 89 10.385 -2.482 -2.523 685 3HG2 VAL 89 3HG2 VAL 89 10.709 -1.637 -4.045 686 H THR 90 H THR 90 8.237 0.772 -5.673 687 HA THR 90 HA THR 90 9.666 0.229 -8.211 688 HB THR 90 HB THR 90 8.229 2.707 -7.172 689 HG1 THR 90 HG1 THR 90 6.677 2.040 -8.692 690 1HG2 THR 90 1HG2 THR 90 8.354 3.426 -9.553 691 2HG2 THR 90 2HG2 THR 90 9.971 3.274 -8.845 692 H TYR 91 H TYR 91 11.797 0.033 -7.724 693 HA TYR 91 HA TYR 91 13.078 1.989 -5.898 694 1HB TYR 91 1HB TYR 91 15.027 0.383 -6.088 695 2HB TYR 91 2HB TYR 91 13.609 -0.105 -5.180 696 HD1 TYR 91 HD1 TYR 91 12.107 -1.861 -5.894 697 HD2 TYR 91 HD2 TYR 91 15.666 -0.899 -8.129 698 HE1 TYR 91 HE1 TYR 91 12.068 -4.111 -6.923 699 HE2 TYR 91 HE2 TYR 91 15.593 -3.131 -9.185 700 HH TYR 91 HH TYR 91 14.546 -5.167 -9.293 701 H TYR 92 H TYR 92 12.956 3.713 -7.261 702 HA TYR 92 HA TYR 92 14.276 3.893 -9.823 703 1HB TYR 92 1HB TYR 92 13.923 6.323 -9.530 704 2HB TYR 92 2HB TYR 92 12.468 5.353 -9.388 705 HD1 TYR 92 HD1 TYR 92 11.341 5.003 -7.183 706 HD2 TYR 92 HD2 TYR 92 14.577 7.795 -7.704 707 HE1 TYR 92 HE1 TYR 92 11.076 5.741 -4.839 708 HE2 TYR 92 HE2 TYR 92 14.262 8.588 -5.386 709 HH TYR 92 HH TYR 92 13.144 8.292 -3.390 710 H ASP 93 H ASP 93 16.223 2.790 -9.220 711 HA ASP 93 HA ASP 93 18.184 4.350 -7.590 712 1HB ASP 93 1HB ASP 93 17.303 2.268 -6.562 713 2HB ASP 93 2HB ASP 93 17.848 1.344 -7.964 714 H LYS 94 H LYS 94 18.321 5.400 -9.857 715 HA LYS 94 HA LYS 94 19.536 3.891 -11.963 716 1HB LYS 94 1HB LYS 94 19.660 5.944 -13.170 717 2HB LYS 94 2HB LYS 94 18.101 5.770 -12.371 718 1HG LYS 94 1HG LYS 94 18.386 7.899 -11.727 719 2HG LYS 94 2HG LYS 94 19.455 7.254 -10.482 720 1HD LYS 94 1HD LYS 94 21.380 7.556 -12.181 721 2HD LYS 94 2HD LYS 94 20.203 8.349 -13.238 722 1HE LYS 94 1HE LYS 94 19.751 10.028 -11.483 723 2HE LYS 94 2HE LYS 94 20.926 9.238 -10.410 724 1HZ LYS 94 1HZ LYS 94 21.531 10.444 -13.016 725 2HZ LYS 94 2HZ LYS 94 21.877 11.095 -11.541 726 3HZ LYS 94 3HZ LYS 94 22.618 9.702 -12.021 727 H ASN 95 H ASN 95 21.450 3.064 -11.859 728 HA ASN 95 HA ASN 95 23.875 4.435 -11.688 729 1HB ASN 95 1HB ASN 95 24.735 3.331 -9.527 730 2HB ASN 95 2HB ASN 95 23.801 4.811 -9.396 731 1HD2 ASN 95 1HD2 ASN 95 21.316 3.441 -7.329 732 2HD2 ASN 95 2HD2 ASN 95 21.990 4.848 -8.117 733 H LYS 96 H LYS 96 22.257 1.355 -10.849 734 HA LYS 96 HA LYS 96 23.499 0.083 -13.133 735 1HB LYS 96 1HB LYS 96 24.606 -1.720 -12.032 736 2HB LYS 96 2HB LYS 96 25.238 -0.206 -11.403 737 1HG LYS 96 1HG LYS 96 25.027 -1.261 -9.427 738 2HG LYS 96 2HG LYS 96 23.370 -0.653 -9.493 739 1HD LYS 96 1HD LYS 96 22.706 -2.884 -10.548 740 2HD LYS 96 2HD LYS 96 24.371 -3.430 -10.315 741 1HE LYS 96 1HE LYS 96 22.478 -2.530 -8.105 742 2HE LYS 96 2HE LYS 96 22.824 -4.212 -8.536 743 1HZ LYS 96 1HZ LYS 96 25.114 -3.819 -7.976 744 2HZ LYS 96 2HZ LYS 96 24.780 -2.264 -7.541 745 3HZ LYS 96 3HZ LYS 96 24.131 -3.515 -6.689 746 H LYS 97 H LYS 97 21.354 -0.117 -10.293 747 HA LYS 97 HA LYS 97 19.986 -2.468 -11.246 748 1HB LYS 97 1HB LYS 97 20.306 -1.633 -8.805 749 2HB LYS 97 2HB LYS 97 18.977 -0.528 -9.149 750 1HG LYS 97 1HG LYS 97 17.865 -2.360 -8.243 751 2HG LYS 97 2HG LYS 97 17.718 -2.690 -9.975 752 1HD LYS 97 1HD LYS 97 19.689 -4.247 -9.799 753 2HD LYS 97 2HD LYS 97 19.828 -3.833 -8.082 754 1HE LYS 97 1HE LYS 97 18.701 -5.936 -8.221 755 2HE LYS 97 2HE LYS 97 17.502 -4.731 -7.722 756 1HZ LYS 97 1HZ LYS 97 17.880 -5.782 -10.441 757 2HZ LYS 97 2HZ LYS 97 16.660 -6.182 -9.407 758 3HZ LYS 97 3HZ LYS 97 16.764 -4.651 -10.007 759 H LYS 98 H LYS 98 19.102 0.999 -10.936 760 HA LYS 98 HA LYS 98 17.765 2.356 -12.070 761 1HB LYS 98 1HB LYS 98 18.721 0.808 -14.055 762 2HB LYS 98 2HB LYS 98 17.003 0.406 -14.214 763 1HG LYS 98 1HG LYS 98 16.573 2.934 -14.322 764 2HG LYS 98 2HG LYS 98 18.324 3.159 -14.344 765 1HD LYS 98 1HD LYS 98 16.674 1.602 -16.390 766 2HD LYS 98 2HD LYS 98 17.292 3.248 -16.586 767 1HE LYS 98 1HE LYS 98 19.632 2.368 -16.359 768 2HE LYS 98 2HE LYS 98 18.972 0.717 -16.323 769 1HZ LYS 98 1HZ LYS 98 18.029 1.107 -18.467 770 2HZ LYS 98 2HZ LYS 98 18.653 2.633 -18.511 771 3HZ LYS 98 3HZ LYS 98 19.663 1.330 -18.495 772 H GLU 99 H GLU 99 15.381 2.616 -12.879 773 HA GLU 99 HA GLU 99 13.712 1.739 -10.789 774 1HB GLU 99 1HB GLU 99 13.441 3.856 -12.065 775 2HB GLU 99 2HB GLU 99 12.860 2.917 -13.452 776 1HG GLU 99 1HG GLU 99 11.003 2.013 -12.062 777 2HG GLU 99 2HG GLU 99 11.643 2.871 -10.650 778 H GLU 100 H GLU 100 12.612 -0.054 -10.485 779 HA GLU 100 HA GLU 100 11.503 -1.606 -12.754 780 1HB GLU 100 1HB GLU 100 13.132 -2.764 -10.470 781 2HB GLU 100 2HB GLU 100 12.157 -3.711 -11.602 782 1HG GLU 100 1HG GLU 100 13.591 -2.999 -13.468 783 2HG GLU 100 2HG GLU 100 14.529 -1.954 -12.386 784 H THR 101 H THR 101 9.388 -1.267 -12.328 785 HA THR 101 HA THR 101 8.282 -1.106 -9.630 786 HB THR 101 HB THR 101 6.954 -1.283 -12.365 787 HG1 THR 101 HG1 THR 101 6.739 0.953 -12.032 788 1HG2 THR 101 1HG2 THR 101 5.379 -1.951 -10.566 789 2HG2 THR 101 2HG2 THR 101 5.839 -0.522 -9.621 790 H LYS 102 H LYS 102 8.996 -3.065 -8.717 791 HA LYS 102 HA LYS 102 8.459 -5.616 -9.977 792 1HB LYS 102 1HB LYS 102 10.477 -5.174 -8.637 793 2HB LYS 102 2HB LYS 102 9.489 -4.854 -7.221 794 1HG LYS 102 1HG LYS 102 10.458 -7.090 -7.121 795 2HG LYS 102 2HG LYS 102 8.700 -7.166 -7.160 796 1HD LYS 102 1HD LYS 102 9.751 -8.904 -8.555 797 2HD LYS 102 2HD LYS 102 8.703 -7.848 -9.497 798 1HE LYS 102 1HE LYS 102 10.787 -8.386 -10.691 799 2HE LYS 102 2HE LYS 102 10.674 -6.650 -10.395 800 1HZ LYS 102 1HZ LYS 102 12.238 -8.564 -8.809 801 2HZ LYS 102 2HZ LYS 102 12.842 -7.508 -9.923 802 3HZ LYS 102 3HZ LYS 102 12.151 -6.939 -8.539 803 H SER 103 H SER 103 6.299 -5.984 -10.189 804 HA SER 103 HA SER 103 4.384 -5.294 -8.092 805 1HB SER 103 1HB SER 103 2.723 -5.943 -9.784 806 2HB SER 103 2HB SER 103 3.882 -4.744 -10.380 807 HG SER 103 HG SER 103 3.999 -7.538 -10.853 808 H PHE 104 H PHE 104 5.702 -6.927 -6.689 809 HA PHE 104 HA PHE 104 5.052 -9.711 -6.856 810 1HB PHE 104 1HB PHE 104 6.896 -8.936 -5.508 811 2HB PHE 104 2HB PHE 104 5.851 -7.863 -4.584 812 HD1 PHE 104 HD1 PHE 104 6.673 -11.449 -5.225 813 HD2 PHE 104 HD2 PHE 104 4.605 -8.655 -2.674 814 HE1 PHE 104 HE1 PHE 104 6.158 -13.276 -3.627 815 HE2 PHE 104 HE2 PHE 104 4.130 -10.474 -1.066 816 HZ PHE 104 1HZ PHE 104 4.864 -12.797 -1.561 817 HA PRO 105 HA PRO 105 0.767 -9.027 -5.538 818 1HB PRO 105 1HB PRO 105 -0.186 -11.553 -5.448 819 2HB PRO 105 2HB PRO 105 0.384 -10.816 -6.958 820 1HG PRO 105 1HG PRO 105 2.015 -12.610 -5.133 821 2HG PRO 105 2HG PRO 105 1.708 -12.817 -6.883 822 1HD PRO 105 1HD PRO 105 3.945 -11.575 -5.949 823 2HD PRO 105 2HD PRO 105 3.127 -11.012 -7.436 824 H ILE 106 H ILE 106 0.525 -11.878 -3.673 825 HA ILE 106 HA ILE 106 1.797 -10.971 -1.284 826 HB ILE 106 HB ILE 106 -0.205 -9.422 -1.426 827 1HG1 ILE 106 1HG1 ILE 106 -1.029 -9.708 0.834 828 2HG1 ILE 106 2HG1 ILE 106 -0.267 -11.328 0.937 829 1HG2 ILE 106 1HG2 ILE 106 -1.788 -11.008 -2.497 830 2HG2 ILE 106 2HG2 ILE 106 -1.856 -11.941 -0.982 831 3HG2 ILE 106 3HG2 ILE 106 -2.428 -10.270 -1.019 832 1HD1 ILE 106 1HD1 ILE 106 1.252 -8.719 0.414 833 2HD1 ILE 106 2HD1 ILE 106 1.004 -9.409 2.027 834 3HD1 ILE 106 3HD1 ILE 106 1.947 -10.306 0.831 835 H THR 107 H THR 107 1.663 -12.518 0.411 836 HA THR 107 HA THR 107 0.506 -15.181 -0.298 837 HB THR 107 1HB THR 107 2.543 -16.151 0.806 838 HG1 THR 107 HG1 THR 107 3.182 -14.214 1.864 839 1HG2 THR 107 1HG2 THR 107 3.093 -14.475 -1.686 840 2HG2 THR 107 2HG2 THR 107 4.029 -15.876 -1.131 841 H GLU 108 H GLU 108 -0.165 -16.445 1.461 842 HA GLU 108 HA GLU 108 -1.343 -14.898 3.543 843 1HB GLU 108 1HB GLU 108 -1.762 -17.435 2.374 844 2HB GLU 108 2HB GLU 108 -1.425 -17.790 4.064 845 1HG GLU 108 1HG GLU 108 -3.484 -15.757 3.100 846 2HG GLU 108 2HG GLU 108 -3.832 -17.445 3.471 847 H LYS 109 H LYS 109 0.883 -17.712 3.873 848 HA LYS 109 HA LYS 109 2.180 -16.408 6.251 849 1HB LYS 109 1HB LYS 109 1.626 -19.296 5.515 850 2HB LYS 109 2HB LYS 109 3.015 -18.862 6.518 851 1HG LYS 109 1HG LYS 109 1.168 -19.489 7.922 852 2HG LYS 109 2HG LYS 109 1.600 -17.793 8.178 853 1HD LYS 109 1HD LYS 109 -0.343 -17.062 6.881 854 2HD LYS 109 2HD LYS 109 -0.743 -18.744 6.462 855 1HE LYS 109 1HE LYS 109 -1.140 -19.225 8.853 856 2HE LYS 109 2HE LYS 109 -0.657 -17.571 9.280 857 1HZ LYS 109 1HZ LYS 109 -2.494 -16.765 8.001 858 2HZ LYS 109 2HZ LYS 109 -2.949 -18.297 7.601 859 3HZ LYS 109 3HZ LYS 109 -3.016 -17.801 9.172 860 H GLY 110 H GLY 110 3.777 -15.234 5.343 861 1HA GLY 110 1HA GLY 110 5.478 -16.434 3.183 862 2HA GLY 110 2HA GLY 110 4.852 -14.785 3.174 863 H PHE 111 H PHE 111 5.882 -13.191 4.364 864 HA PHE 111 HA PHE 111 8.320 -13.796 5.888 865 1HB PHE 111 1HB PHE 111 9.824 -12.951 4.238 866 2HB PHE 111 2HB PHE 111 8.884 -14.218 3.480 867 HD1 PHE 111 HD1 PHE 111 6.712 -13.405 2.120 868 HD2 PHE 111 HD2 PHE 111 10.158 -10.971 3.020 869 HE1 PHE 111 HE1 PHE 111 6.021 -11.789 0.399 870 HE2 PHE 111 HE2 PHE 111 9.488 -9.382 1.240 871 HZ PHE 111 1HZ PHE 111 7.411 -9.776 -0.066 872 H VAL 112 H VAL 112 9.653 -11.640 5.987 873 HA VAL 112 HA VAL 112 7.827 -9.554 7.044 874 HB VAL 112 HB VAL 112 10.704 -10.343 7.636 875 1HG1 VAL 112 1HG1 VAL 112 9.059 -8.064 8.798 876 2HG1 VAL 112 2HG1 VAL 112 10.550 -8.694 9.523 877 3HG1 VAL 112 3HG1 VAL 112 10.605 -7.938 7.933 878 1HG2 VAL 112 1HG2 VAL 112 8.970 -11.854 8.590 879 2HG2 VAL 112 2HG2 VAL 112 9.800 -10.937 9.852 880 3HG2 VAL 112 3HG2 VAL 112 8.172 -10.455 9.340 881 H VAL 113 H VAL 113 8.211 -7.346 6.639 882 HA VAL 113 HA VAL 113 8.913 -6.537 4.058 883 HB VAL 113 HB VAL 113 8.874 -4.976 6.666 884 1HG1 VAL 113 1HG1 VAL 113 8.972 -3.957 3.784 885 2HG1 VAL 113 2HG1 VAL 113 8.668 -2.956 5.218 886 3HG1 VAL 113 3HG1 VAL 113 10.238 -3.731 5.007 887 1HG2 VAL 113 1HG2 VAL 113 6.674 -5.926 5.994 888 2HG2 VAL 113 2HG2 VAL 113 6.697 -4.166 5.846 889 3HG2 VAL 113 3HG2 VAL 113 6.859 -5.171 4.394 890 HA PRO 114 HA PRO 114 13.323 -7.155 4.825 891 1HB PRO 114 1HB PRO 114 14.306 -7.016 2.302 892 2HB PRO 114 2HB PRO 114 13.240 -8.352 2.831 893 1HG PRO 114 1HG PRO 114 12.444 -5.841 1.341 894 2HG PRO 114 2HG PRO 114 12.040 -7.530 0.922 895 1HD PRO 114 1HD PRO 114 10.325 -5.928 2.333 896 2HD PRO 114 2HD PRO 114 10.455 -7.678 2.657 897 H ASP 115 H ASP 115 15.168 -5.924 5.063 898 HA ASP 115 HA ASP 115 14.965 -2.997 4.643 899 1HB ASP 115 1HB ASP 115 16.708 -2.822 6.261 900 2HB ASP 115 2HB ASP 115 15.485 -3.920 6.896 901 H LEU 116 H LEU 116 17.407 -2.123 4.300 902 HA LEU 116 HA LEU 116 18.083 -2.873 1.595 903 1HB LEU 116 1HB LEU 116 19.193 -0.907 3.639 904 2HB LEU 116 2HB LEU 116 20.017 -1.185 2.113 905 HG LEU 116 HG LEU 116 18.703 0.763 1.915 906 1HD1 LEU 116 1HD1 LEU 116 18.906 -0.950 0.003 907 2HD1 LEU 116 2HD1 LEU 116 17.191 -1.307 0.290 908 3HD1 LEU 116 3HD1 LEU 116 17.695 0.327 -0.159 909 1HD2 LEU 116 1HD2 LEU 116 16.953 0.248 3.622 910 2HD2 LEU 116 2HD2 LEU 116 16.307 0.893 2.103 911 3HD2 LEU 116 3HD2 LEU 116 16.169 -0.838 2.451 912 H SER 117 H SER 117 20.322 -3.237 0.893 913 HA SER 117 HA SER 117 22.010 -4.822 2.734 914 1HB SER 117 1HB SER 117 20.532 -6.480 1.706 915 2HB SER 117 2HB SER 117 20.910 -5.872 0.086 916 HG SER 117 HG SER 117 22.760 -6.964 1.943 917 H GLU 118 H GLU 118 21.796 -4.106 -0.790 918 HA GLU 118 HA GLU 118 24.127 -2.376 -0.786 919 1HB GLU 118 1HB GLU 118 25.208 -4.562 -0.475 920 2HB GLU 118 2HB GLU 118 24.367 -5.228 -1.874 921 1HG GLU 118 1HG GLU 118 26.279 -2.842 -1.985 922 2HG GLU 118 2HG GLU 118 26.794 -4.521 -2.189 923 H HIS 119 H HIS 119 22.205 -4.662 -2.724 924 HA HIS 119 HA HIS 119 22.529 -3.840 -5.238 925 1HB HIS 119 1HB HIS 119 20.343 -4.784 -5.748 926 2HB HIS 119 2HB HIS 119 21.242 -5.775 -4.600 927 HD1 HIS 119 HD1 HIS 119 20.425 -4.678 -1.839 928 HD2 HIS 119 HD2 HIS 119 17.836 -5.059 -5.134 929 HE1 HIS 119 HE1 HIS 119 18.058 -4.832 -0.898 930 H ILE 120 H ILE 120 20.216 -2.225 -3.003 931 HA ILE 120 HA ILE 120 20.166 0.088 -4.863 932 HB ILE 120 HB ILE 120 17.766 0.367 -4.523 933 1HG1 ILE 120 1HG1 ILE 120 17.929 -2.236 -2.942 934 2HG1 ILE 120 2HG1 ILE 120 17.495 -0.620 -2.330 935 1HG2 ILE 120 1HG2 ILE 120 18.665 -0.940 -6.450 936 2HG2 ILE 120 2HG2 ILE 120 18.308 -2.435 -5.559 937 3HG2 ILE 120 3HG2 ILE 120 17.001 -1.328 -6.017 938 1HD1 ILE 120 1HD1 ILE 120 15.522 -0.632 -3.856 939 2HD1 ILE 120 2HD1 ILE 120 15.881 -2.323 -4.287 940 3HD1 ILE 120 3HD1 ILE 120 15.478 -1.904 -2.617 941 H LYS 121 H LYS 121 19.053 1.961 -3.802 942 HA LYS 121 HA LYS 121 20.023 2.360 -1.008 943 1HB LYS 121 1HB LYS 121 21.073 3.761 -2.697 944 2HB LYS 121 2HB LYS 121 19.512 4.318 -3.291 945 1HG LYS 121 1HG LYS 121 20.341 4.751 -0.397 946 2HG LYS 121 2HG LYS 121 20.936 5.794 -1.694 947 1HD LYS 121 1HD LYS 121 18.590 6.369 -2.331 948 2HD LYS 121 2HD LYS 121 18.000 5.413 -0.970 949 1HE LYS 121 1HE LYS 121 18.006 7.667 -0.275 950 2HE LYS 121 2HE LYS 121 19.316 6.848 0.591 951 1HZ LYS 121 1HZ LYS 121 19.617 8.524 -1.804 952 2HZ LYS 121 2HZ LYS 121 19.968 8.980 -0.260 953 3HZ LYS 121 3HZ LYS 121 20.846 7.790 -0.985 954 H ASN 122 H ASN 122 17.372 2.890 -3.349 955 HA ASN 122 HA ASN 122 15.504 3.533 -1.126 956 1HB ASN 122 1HB ASN 122 14.343 4.986 -2.681 957 2HB ASN 122 2HB ASN 122 16.011 5.484 -2.428 958 1HD2 ASN 122 1HD2 ASN 122 17.058 4.771 -5.817 959 2HD2 ASN 122 2HD2 ASN 122 17.628 4.778 -4.163 960 HA PRO 123 HA PRO 123 13.491 -0.244 -2.826 961 1HB PRO 123 1HB PRO 123 12.012 0.265 -0.250 962 2HB PRO 123 2HB PRO 123 12.484 -1.294 -0.996 963 1HG PRO 123 1HG PRO 123 13.937 -0.283 1.046 964 2HG PRO 123 2HG PRO 123 14.788 -0.918 -0.397 965 1HD PRO 123 1HD PRO 123 14.097 1.956 0.244 966 2HD PRO 123 2HD PRO 123 15.661 1.287 -0.285 967 H GLY 124 H GLY 124 11.649 2.308 -1.028 968 1HA GLY 124 1HA GLY 124 9.864 3.597 -1.607 969 2HA GLY 124 2HA GLY 124 10.304 3.361 -3.304 970 H PHE 125 H PHE 125 8.865 1.553 -0.540 971 HA PHE 125 HA PHE 125 7.463 -0.367 -2.156 972 1HB PHE 125 1HB PHE 125 7.280 0.440 0.748 973 2HB PHE 125 2HB PHE 125 6.287 -0.825 0.039 974 HD1 PHE 125 HD1 PHE 125 9.758 0.139 0.952 975 HD2 PHE 125 HD2 PHE 125 7.163 -3.011 -0.429 976 HE1 PHE 125 HE1 PHE 125 11.504 -1.546 1.485 977 HE2 PHE 125 HE2 PHE 125 8.935 -4.680 0.046 978 HZ PHE 125 1HZ PHE 125 11.109 -3.941 1.005 979 H ASN 126 H ASN 126 5.319 -0.525 -2.691 980 HA ASN 126 HA ASN 126 3.514 1.803 -2.187 981 1HB ASN 126 1HB ASN 126 4.042 0.409 -4.828 982 2HB ASN 126 2HB ASN 126 2.701 1.518 -4.525 983 1HD2 ASN 126 1HD2 ASN 126 6.475 2.971 -5.231 984 2HD2 ASN 126 2HD2 ASN 126 6.172 1.254 -5.081 985 H LEU 127 H LEU 127 2.444 0.667 -0.590 986 HA LEU 127 HA LEU 127 1.133 -1.911 -1.214 987 1HB LEU 127 1HB LEU 127 1.327 -0.112 1.229 988 2HB LEU 127 2HB LEU 127 0.145 -1.415 1.147 989 HG LEU 127 HG LEU 127 2.159 -2.000 2.389 990 1HD1 LEU 127 1HD1 LEU 127 0.706 -3.708 1.337 991 2HD1 LEU 127 2HD1 LEU 127 1.747 -3.711 -0.092 992 3HD1 LEU 127 3HD1 LEU 127 2.393 -4.232 1.476 993 1HD2 LEU 127 1HD2 LEU 127 3.840 -0.789 0.984 994 2HD2 LEU 127 2HD2 LEU 127 4.272 -2.473 1.339 995 3HD2 LEU 127 3HD2 LEU 127 3.653 -2.045 -0.263 996 H ILE 128 H ILE 128 0.299 -0.570 -3.147 997 HA ILE 128 HA ILE 128 -2.290 0.768 -2.517 998 HB ILE 128 HB ILE 128 -0.384 0.840 -4.854 999 1HG1 ILE 128 1HG1 ILE 128 -0.766 3.236 -4.719 1000 2HG1 ILE 128 2HG1 ILE 128 -2.067 3.005 -3.498 1001 1HG2 ILE 128 1HG2 ILE 128 -3.362 1.476 -4.972 1002 2HG2 ILE 128 2HG2 ILE 128 -2.168 2.001 -6.175 1003 3HG2 ILE 128 3HG2 ILE 128 -2.484 0.283 -5.960 1004 1HD1 ILE 128 1HD1 ILE 128 0.877 2.298 -3.037 1005 2HD1 ILE 128 2HD1 ILE 128 0.132 3.849 -2.601 1006 3HD1 ILE 128 3HD1 ILE 128 -0.439 2.372 -1.832 1007 H THR 129 H THR 129 -4.050 -0.378 -2.696 1008 HA THR 129 HA THR 129 -4.297 -2.742 -4.460 1009 HB THR 129 1HB THR 129 -4.569 -2.684 -1.422 1010 HG1 THR 129 HG1 THR 129 -2.554 -3.154 -2.275 1011 1HG2 THR 129 1HG2 THR 129 -5.581 -4.845 -3.316 1012 2HG2 THR 129 2HG2 THR 129 -5.318 -5.053 -1.573 1013 H LYS 130 H LYS 130 -6.755 -3.427 -4.345 1014 HA LYS 130 HA LYS 130 -8.432 -0.948 -4.361 1015 1HB LYS 130 1HB LYS 130 -7.831 -1.876 -6.551 1016 2HB LYS 130 2HB LYS 130 -8.574 -3.412 -6.146 1017 1HG LYS 130 1HG LYS 130 -10.057 -0.734 -6.161 1018 2HG LYS 130 2HG LYS 130 -9.858 -1.721 -7.604 1019 1HD LYS 130 1HD LYS 130 -11.436 -2.536 -5.132 1020 2HD LYS 130 2HD LYS 130 -12.048 -2.030 -6.699 1021 1HE LYS 130 1HE LYS 130 -10.933 -3.997 -7.762 1022 2HE LYS 130 2HE LYS 130 -10.464 -4.566 -6.145 1023 1HZ LYS 130 1HZ LYS 130 -13.206 -4.119 -7.056 1024 2HZ LYS 130 2HZ LYS 130 -12.463 -5.582 -6.885 1025 3HZ LYS 130 3HZ LYS 130 -12.755 -4.644 -5.558 1026 H VAL 131 H VAL 131 -10.204 -0.949 -3.109 1027 HA VAL 131 HA VAL 131 -11.330 -3.519 -2.120 1028 HB VAL 131 HB VAL 131 -11.694 -2.595 0.071 1029 1HG1 VAL 131 1HG1 VAL 131 -9.560 -3.771 -0.368 1030 2HG1 VAL 131 2HG1 VAL 131 -8.781 -2.221 -0.716 1031 3HG1 VAL 131 3HG1 VAL 131 -9.409 -2.549 0.910 1032 1HG2 VAL 131 1HG2 VAL 131 -10.352 -0.059 -0.946 1033 2HG2 VAL 131 2HG2 VAL 131 -12.011 -0.246 -0.352 1034 3HG2 VAL 131 3HG2 VAL 131 -10.659 -0.426 0.766 1035 H VAL 132 H VAL 132 -13.540 -3.435 -1.563 1036 HA VAL 132 HA VAL 132 -15.080 -1.509 -3.223 1037 HB VAL 132 HB VAL 132 -15.897 -4.230 -2.132 1038 1HG1 VAL 132 1HG1 VAL 132 -17.755 -2.614 -2.725 1039 2HG1 VAL 132 2HG1 VAL 132 -17.051 -2.492 -4.349 1040 3HG1 VAL 132 3HG1 VAL 132 -17.702 -4.040 -3.777 1041 1HG2 VAL 132 1HG2 VAL 132 -14.788 -3.453 -4.863 1042 2HG2 VAL 132 2HG2 VAL 132 -14.045 -4.571 -3.697 1043 3HG2 VAL 132 3HG2 VAL 132 -15.566 -5.003 -4.484 1044 H ILE 133 H ILE 133 -15.604 0.209 -1.945 1045 HA ILE 133 HA ILE 133 -16.203 -0.083 0.880 1046 HB ILE 133 HB ILE 133 -16.130 2.285 -1.008 1047 1HG1 ILE 133 1HG1 ILE 133 -14.362 1.251 1.262 1048 2HG1 ILE 133 2HG1 ILE 133 -13.984 1.330 -0.473 1049 1HG2 ILE 133 1HG2 ILE 133 -16.710 2.303 1.982 1050 2HG2 ILE 133 2HG2 ILE 133 -16.437 3.733 0.957 1051 3HG2 ILE 133 3HG2 ILE 133 -17.854 2.756 0.694 1052 1HD1 ILE 133 1HD1 ILE 133 -14.146 3.855 -0.295 1053 2HD1 ILE 133 2HD1 ILE 133 -14.285 3.658 1.472 1054 3HD1 ILE 133 3HD1 ILE 133 -12.827 3.117 0.645 1055 H GLU 134 H GLU 134 -18.121 0.012 1.871 1056 HA GLU 134 HA GLU 134 -20.640 0.469 0.355 1057 1HB GLU 134 1HB GLU 134 -20.645 -1.681 1.608 1058 2HB GLU 134 2HB GLU 134 -20.140 -0.850 3.064 1059 1HG GLU 134 1HG GLU 134 -22.548 -1.355 3.061 1060 2HG GLU 134 2HG GLU 134 -22.250 0.383 3.155 1061 H LYS 135 H LYS 135 -21.551 2.436 0.772 1062 HA LYS 135 HA LYS 135 -20.164 4.278 2.566 1063 1HB LYS 135 1HB LYS 135 -21.075 4.627 0.139 1064 2HB LYS 135 2HB LYS 135 -22.615 4.972 0.915 1065 1HG LYS 135 1HG LYS 135 -19.927 6.347 1.409 1066 2HG LYS 135 2HG LYS 135 -21.256 6.972 0.425 1067 1HD LYS 135 1HD LYS 135 -22.704 7.082 2.453 1068 2HD LYS 135 2HD LYS 135 -21.333 6.527 3.443 1069 1HE LYS 135 1HE LYS 135 -20.004 8.477 2.718 1070 2HE LYS 135 2HE LYS 135 -21.360 9.041 1.722 1071 1HZ LYS 135 1HZ LYS 135 -22.658 9.239 3.710 1072 2HZ LYS 135 2HZ LYS 135 -21.395 8.721 4.635 1073 3HZ LYS 135 3HZ LYS 135 -21.287 10.150 3.818 1074 H LYS 136 H LYS 136 -20.719 2.981 4.477 1075 HA LYS 136 HA LYS 136 -21.797 2.527 6.362 1076 1HB LYS 136 1HB LYS 136 -22.319 5.075 6.112 1077 2HB LYS 136 2HB LYS 136 -23.968 4.562 5.767 1078 1HG LYS 136 1HG LYS 136 -22.354 3.982 8.302 1079 2HG LYS 136 2HG LYS 136 -23.615 5.195 8.099 1080 1HD LYS 136 1HD LYS 136 -24.960 3.649 9.011 1081 2HD LYS 136 2HD LYS 136 -25.042 2.992 7.375 1082 1HE LYS 136 1HE LYS 136 -23.084 1.461 8.034 1083 2HE LYS 136 2HE LYS 136 -23.209 2.122 9.668 1084 1HZ LYS 136 1HZ LYS 136 -25.442 1.304 9.763 1085 2HZ LYS 136 2HZ LYS 136 -25.328 0.692 8.236 1086 3HZ LYS 136 3HZ LYS 136 -24.385 0.079 9.442 No H/Q in entry = 1086 Start of MODEL 16 1 H SER 1 H SER 1 -17.644 12.298 5.807 2 HA SER 1 HA SER 1 -19.762 10.387 6.280 3 1HB SER 1 1HB SER 1 -20.034 12.327 3.938 4 2HB SER 1 2HB SER 1 -21.019 10.869 4.167 5 HG SER 1 HG SER 1 -22.023 12.747 4.983 6 H SER 2 H SER 2 -17.130 9.957 6.235 7 HA SER 2 HA SER 2 -15.333 9.025 5.300 8 1HB SER 2 1HB SER 2 -16.886 7.115 5.286 9 2HB SER 2 2HB SER 2 -17.348 7.488 3.611 10 HG SER 2 HG SER 2 -15.135 7.205 3.060 11 H SER 3 H SER 3 -15.566 11.481 4.395 12 HA SER 3 HA SER 3 -15.258 11.488 1.433 13 1HB SER 3 1HB SER 3 -16.911 13.014 2.436 14 2HB SER 3 2HB SER 3 -15.634 13.775 3.405 15 HG SER 3 HG SER 3 -14.595 14.282 1.402 16 H PHE 4 H PHE 4 -13.190 11.070 0.865 17 HA PHE 4 HA PHE 4 -10.912 11.635 2.545 18 1HB PHE 4 1HB PHE 4 -10.952 9.732 1.045 19 2HB PHE 4 2HB PHE 4 -11.188 10.774 -0.356 20 HD1 PHE 4 HD1 PHE 4 -8.817 10.345 2.544 21 HD2 PHE 4 HD2 PHE 4 -9.263 11.308 -1.635 22 HE1 PHE 4 HE1 PHE 4 -6.378 10.682 2.359 23 HE2 PHE 4 HE2 PHE 4 -6.806 11.566 -1.832 24 HZ PHE 4 1HZ PHE 4 -5.358 11.286 0.165 25 H ASP 5 H ASP 5 -10.448 13.739 2.940 26 HA ASP 5 HA ASP 5 -10.366 15.701 0.674 27 1HB ASP 5 1HB ASP 5 -11.216 16.167 3.557 28 2HB ASP 5 2HB ASP 5 -11.163 17.378 2.264 29 H LYS 6 H LYS 6 -8.123 14.319 1.040 30 HA LYS 6 HA LYS 6 -6.310 16.324 2.311 31 1HB LYS 6 1HB LYS 6 -5.881 13.332 2.061 32 2HB LYS 6 2HB LYS 6 -4.696 14.477 2.681 33 1HG LYS 6 1HG LYS 6 -7.410 14.185 4.046 34 2HG LYS 6 2HG LYS 6 -6.142 12.994 4.269 35 1HD LYS 6 1HD LYS 6 -6.023 14.463 6.091 36 2HD LYS 6 2HD LYS 6 -4.585 14.730 5.102 37 1HE LYS 6 1HE LYS 6 -5.485 16.822 4.257 38 2HE LYS 6 2HE LYS 6 -7.064 16.498 5.018 39 1HZ LYS 6 1HZ LYS 6 -4.523 16.913 6.416 40 2HZ LYS 6 2HZ LYS 6 -5.745 18.012 6.276 41 3HZ LYS 6 3HZ LYS 6 -5.982 16.621 7.129 42 H GLY 7 H GLY 7 -6.578 13.724 -0.151 43 1HA GLY 7 1HA GLY 7 -6.295 13.855 -2.408 44 2HA GLY 7 2HA GLY 7 -6.002 15.585 -2.253 45 H LYS 8 H LYS 8 -4.469 12.382 -1.874 46 HA LYS 8 HA LYS 8 -2.434 11.588 -2.402 47 1HB LYS 8 1HB LYS 8 -3.368 12.414 -4.568 48 2HB LYS 8 2HB LYS 8 -2.448 13.910 -4.370 49 1HG LYS 8 1HG LYS 8 -0.324 12.538 -4.381 50 2HG LYS 8 2HG LYS 8 -1.312 11.091 -4.574 51 1HD LYS 8 1HD LYS 8 -0.395 11.742 -6.709 52 2HD LYS 8 2HD LYS 8 -2.158 11.861 -6.725 53 1HE LYS 8 1HE LYS 8 -1.050 13.742 -7.898 54 2HE LYS 8 2HE LYS 8 -2.042 14.305 -6.550 55 1HZ LYS 8 1HZ LYS 8 0.872 13.932 -6.497 56 2HZ LYS 8 2HZ LYS 8 0.088 15.376 -6.632 57 3HZ LYS 8 3HZ LYS 8 -0.047 14.492 -5.248 58 H TYR 9 H TYR 9 -1.682 12.251 -0.224 59 HA TYR 9 HA TYR 9 0.311 14.484 -0.225 60 1HB TYR 9 1HB TYR 9 -1.681 14.685 1.250 61 2HB TYR 9 2HB TYR 9 -1.225 13.189 2.054 62 HD1 TYR 9 HD1 TYR 9 0.208 16.559 1.134 63 HD2 TYR 9 HD2 TYR 9 0.016 13.399 4.063 64 HE1 TYR 9 HE1 TYR 9 1.644 17.882 2.658 65 HE2 TYR 9 HE2 TYR 9 1.449 14.724 5.584 66 HH TYR 9 HH TYR 9 2.630 16.677 5.888 67 H LYS 10 H LYS 10 1.483 12.581 -1.454 68 HA LYS 10 HA LYS 10 3.317 11.225 0.337 69 1HB LYS 10 1HB LYS 10 2.538 8.906 -0.620 70 2HB LYS 10 2HB LYS 10 1.740 9.622 0.752 71 1HG LYS 10 1HG LYS 10 0.221 8.586 -0.890 72 2HG LYS 10 2HG LYS 10 -0.171 10.248 -0.487 73 1HD LYS 10 1HD LYS 10 -0.549 9.922 -2.813 74 2HD LYS 10 2HD LYS 10 0.791 11.038 -2.627 75 1HE LYS 10 1HE LYS 10 2.310 8.951 -2.966 76 2HE LYS 10 2HE LYS 10 0.854 8.155 -3.555 77 1HZ LYS 10 1HZ LYS 10 0.606 9.874 -5.165 78 2HZ LYS 10 2HZ LYS 10 1.974 10.626 -4.635 79 3HZ LYS 10 3HZ LYS 10 2.069 9.128 -5.319 80 H LYS 11 H LYS 11 4.497 9.442 -0.978 81 HA LYS 11 HA LYS 11 6.159 9.056 -2.345 82 1HB LYS 11 1HB LYS 11 4.249 8.830 -4.020 83 2HB LYS 11 2HB LYS 11 4.716 10.424 -4.642 84 1HG LYS 11 1HG LYS 11 7.075 9.435 -4.940 85 2HG LYS 11 2HG LYS 11 6.390 7.879 -4.438 86 1HD LYS 11 1HD LYS 11 4.691 8.170 -6.347 87 2HD LYS 11 2HD LYS 11 5.708 9.509 -6.911 88 1HE LYS 11 1HE LYS 11 6.497 6.579 -6.586 89 2HE LYS 11 2HE LYS 11 6.292 7.461 -8.106 90 1HZ LYS 11 1HZ LYS 11 8.138 8.853 -7.446 91 2HZ LYS 11 2HZ LYS 11 8.347 7.968 -6.073 92 3HZ LYS 11 3HZ LYS 11 8.575 7.266 -7.548 93 H GLY 12 H GLY 12 6.663 10.927 -0.686 94 1HA GLY 12 1HA GLY 12 8.457 12.811 -2.155 95 2HA GLY 12 2HA GLY 12 7.530 13.326 -0.731 96 H ASP 13 H ASP 13 7.968 12.341 1.309 97 HA ASP 13 HA ASP 13 9.303 11.598 2.961 98 1HB ASP 13 1HB ASP 13 8.416 9.510 1.766 99 2HB ASP 13 2HB ASP 13 10.031 9.310 1.088 100 H ASP 14 H ASP 14 10.516 13.610 2.203 101 HA ASP 14 HA ASP 14 12.383 14.785 1.888 102 1HB ASP 14 1HB ASP 14 14.002 12.227 2.241 103 2HB ASP 14 2HB ASP 14 14.561 13.892 2.389 104 H ALA 15 H ALA 15 11.035 14.393 -0.290 105 HA ALA 15 HA ALA 15 11.067 14.563 -2.516 106 1HB ALA 15 1HB ALA 15 12.725 16.279 -2.011 107 2HB ALA 15 2HB ALA 15 14.040 15.094 -2.135 108 3HB ALA 15 3HB ALA 15 13.068 15.493 -3.564 109 H SER 16 H SER 16 10.425 12.499 -3.098 110 HA SER 16 HA SER 16 11.933 10.172 -3.115 111 1HB SER 16 1HB SER 16 9.487 10.264 -3.341 112 2HB SER 16 2HB SER 16 9.637 10.962 -4.965 113 HG SER 16 HG SER 16 10.709 9.048 -5.590 114 H TYR 17 H TYR 17 11.333 12.375 -5.902 115 HA TYR 17 HA TYR 17 13.095 10.916 -7.662 116 1HB TYR 17 1HB TYR 17 11.756 13.623 -7.950 117 2HB TYR 17 2HB TYR 17 12.529 12.720 -9.251 118 HD1 TYR 17 HD1 TYR 17 11.650 10.364 -9.817 119 HD2 TYR 17 HD2 TYR 17 9.454 13.190 -7.410 120 HE1 TYR 17 HE1 TYR 17 9.540 9.172 -10.340 121 HE2 TYR 17 HE2 TYR 17 7.347 11.997 -7.935 122 HH TYR 17 HH TYR 17 6.364 10.271 -9.094 123 H PHE 18 H PHE 18 14.646 12.337 -9.024 124 HA PHE 18 HA PHE 18 16.679 13.178 -9.240 125 1HB PHE 18 1HB PHE 18 15.603 15.295 -8.670 126 2HB PHE 18 2HB PHE 18 15.933 15.045 -6.960 127 HD1 PHE 18 HD1 PHE 18 17.625 15.324 -10.304 128 HD2 PHE 18 HD2 PHE 18 18.019 15.772 -6.032 129 HE1 PHE 18 HE1 PHE 18 19.906 16.251 -10.606 130 HE2 PHE 18 HE2 PHE 18 20.297 16.694 -6.342 131 HZ PHE 18 1HZ PHE 18 21.245 16.935 -8.626 132 H GLU 19 H GLU 19 17.622 11.225 -8.736 133 HA GLU 19 HA GLU 19 19.106 9.873 -7.850 134 1HB GLU 19 1HB GLU 19 19.818 12.135 -5.931 135 2HB GLU 19 2HB GLU 19 20.774 10.689 -6.224 136 1HG GLU 19 1HG GLU 19 21.022 11.297 -8.607 137 2HG GLU 19 2HG GLU 19 20.085 12.775 -8.338 138 HA PRO 20 HA PRO 20 17.388 7.697 -4.310 139 1HB PRO 20 1HB PRO 20 20.306 7.335 -3.555 140 2HB PRO 20 2HB PRO 20 18.988 6.132 -3.465 141 1HG PRO 20 1HG PRO 20 20.692 6.067 -5.546 142 2HG PRO 20 2HG PRO 20 18.934 5.978 -5.879 143 1HD PRO 20 1HD PRO 20 20.734 8.406 -6.047 144 2HD PRO 20 2HD PRO 20 19.524 7.808 -7.223 145 H THR 21 H THR 21 16.609 8.560 -2.443 146 HA THR 21 HA THR 21 18.278 10.458 -0.841 147 HB THR 21 HB THR 21 16.148 11.574 -0.223 148 HG1 THR 21 HG1 THR 21 14.382 11.259 -1.637 149 1HG2 THR 21 1HG2 THR 21 16.749 11.701 -3.207 150 2HG2 THR 21 2HG2 THR 21 16.025 12.971 -2.203 151 H GLY 22 H GLY 22 15.322 8.374 -0.680 152 1HA GLY 22 1HA GLY 22 16.445 6.607 1.120 153 2HA GLY 22 2HA GLY 22 15.598 7.813 2.122 154 HA PRO 23 HA PRO 23 12.891 4.277 0.506 155 1HB PRO 23 1HB PRO 23 12.397 3.887 3.443 156 2HB PRO 23 2HB PRO 23 12.636 2.645 2.179 157 1HG PRO 23 1HG PRO 23 14.640 3.243 3.927 158 2HG PRO 23 2HG PRO 23 15.010 3.026 2.193 159 1HD PRO 23 1HD PRO 23 14.559 5.618 3.694 160 2HD PRO 23 2HD PRO 23 15.890 5.158 2.602 161 H TYR 24 H TYR 24 10.580 3.868 0.768 162 HA TYR 24 HA TYR 24 9.004 5.446 2.559 163 1HB TYR 24 1HB TYR 24 7.520 6.496 0.950 164 2HB TYR 24 2HB TYR 24 9.150 7.129 0.859 165 HD1 TYR 24 HD1 TYR 24 10.667 6.516 -1.052 166 HD2 TYR 24 HD2 TYR 24 6.467 5.527 -0.994 167 HE1 TYR 24 HE1 TYR 24 10.698 6.237 -3.511 168 HE2 TYR 24 HE2 TYR 24 6.491 5.306 -3.462 169 HH TYR 24 HH TYR 24 7.774 5.346 -5.374 170 H LEU 25 H LEU 25 6.684 4.767 2.472 171 HA LEU 25 HA LEU 25 6.145 2.142 1.305 172 1HB LEU 25 1HB LEU 25 7.655 1.686 3.192 173 2HB LEU 25 2HB LEU 25 6.561 2.479 4.314 174 HG LEU 25 HG LEU 25 5.457 0.225 2.636 175 1HD1 LEU 25 1HD1 LEU 25 7.315 -0.219 5.008 176 2HD1 LEU 25 2HD1 LEU 25 6.346 -1.467 4.195 177 3HD1 LEU 25 3HD1 LEU 25 7.654 -0.661 3.318 178 1HD2 LEU 25 1HD2 LEU 25 5.157 0.973 5.583 179 2HD2 LEU 25 2HD2 LEU 25 4.007 1.348 4.288 180 3HD2 LEU 25 3HD2 LEU 25 4.289 -0.330 4.746 181 H MET 26 H MET 26 4.250 2.843 0.446 182 HA MET 26 HA MET 26 2.356 4.514 1.965 183 1HB MET 26 1HB MET 26 2.559 3.560 -0.900 184 2HB MET 26 2HB MET 26 1.167 4.468 -0.296 185 1HG MET 26 1HG MET 26 2.375 6.411 0.035 186 2HG MET 26 2HG MET 26 3.934 5.589 0.166 187 1HE MET 26 1HE MET 26 1.011 6.102 -2.372 188 2HE MET 26 2HE MET 26 1.855 5.958 -3.937 189 3HE MET 26 3HE MET 26 1.671 4.536 -2.893 190 H VAL 27 H VAL 27 0.207 3.905 2.407 191 HA VAL 27 HA VAL 27 -0.469 1.003 2.330 192 HB VAL 27 HB VAL 27 -0.318 2.686 4.872 193 1HG1 VAL 27 1HG1 VAL 27 -2.014 0.841 4.871 194 2HG1 VAL 27 2HG1 VAL 27 -0.716 -0.313 4.495 195 3HG1 VAL 27 3HG1 VAL 27 -0.713 0.584 6.030 196 1HG2 VAL 27 1HG2 VAL 27 1.613 0.566 3.870 197 2HG2 VAL 27 2HG2 VAL 27 1.953 2.289 4.206 198 3HG2 VAL 27 3HG2 VAL 27 1.559 1.199 5.525 199 H ASN 28 H ASN 28 -2.251 1.525 0.948 200 HA ASN 28 HA ASN 28 -4.647 2.442 2.357 201 1HB ASN 28 1HB ASN 28 -3.425 3.972 0.042 202 2HB ASN 28 2HB ASN 28 -5.139 4.116 0.452 203 1HD2 ASN 28 1HD2 ASN 28 -4.642 5.961 3.484 204 2HD2 ASN 28 2HD2 ASN 28 -5.689 4.780 2.725 205 H VAL 29 H VAL 29 -6.522 2.522 0.553 206 HA VAL 29 HA VAL 29 -6.284 0.082 -1.152 207 HB VAL 29 HB VAL 29 -8.512 -0.584 -0.453 208 1HG1 VAL 29 1HG1 VAL 29 -6.518 -1.305 0.914 209 2HG1 VAL 29 2HG1 VAL 29 -6.930 -0.006 2.063 210 3HG1 VAL 29 3HG1 VAL 29 -8.073 -1.332 1.770 211 1HG2 VAL 29 1HG2 VAL 29 -8.524 1.915 1.250 212 2HG2 VAL 29 2HG2 VAL 29 -9.659 1.450 -0.036 213 3HG2 VAL 29 3HG2 VAL 29 -9.638 0.548 1.480 214 H THR 30 H THR 30 -7.577 0.008 -3.015 215 HA THR 30 HA THR 30 -8.537 2.592 -4.054 216 HB THR 30 HB THR 30 -8.807 -0.125 -5.387 217 HG1 THR 30 HG1 THR 30 -6.682 1.693 -5.701 218 1HG2 THR 30 1HG2 THR 30 -10.116 1.821 -6.299 219 2HG2 THR 30 2HG2 THR 30 -8.594 2.708 -6.491 220 H GLY 31 H GLY 31 -10.231 3.125 -2.666 221 1HA GLY 31 1HA GLY 31 -12.214 1.165 -1.828 222 2HA GLY 31 2HA GLY 31 -12.119 2.881 -1.411 223 H VAL 32 H VAL 32 -12.868 0.712 -4.190 224 HA VAL 32 HA VAL 32 -14.285 2.736 -5.642 225 HB VAL 32 HB VAL 32 -14.959 0.971 -7.136 226 1HG1 VAL 32 1HG1 VAL 32 -12.646 1.915 -7.262 227 2HG1 VAL 32 2HG1 VAL 32 -12.070 0.531 -6.302 228 3HG1 VAL 32 3HG1 VAL 32 -12.779 0.267 -7.904 229 1HG2 VAL 32 1HG2 VAL 32 -15.464 -0.865 -5.579 230 2HG2 VAL 32 2HG2 VAL 32 -14.327 -1.368 -6.831 231 3HG2 VAL 32 3HG2 VAL 32 -13.734 -1.023 -5.198 232 H ASP 33 H ASP 33 -16.478 2.996 -5.990 233 HA ASP 33 HA ASP 33 -18.245 2.439 -3.764 234 1HB ASP 33 1HB ASP 33 -18.210 4.565 -5.073 235 2HB ASP 33 2HB ASP 33 -18.752 3.677 -6.504 236 H SER 34 H SER 34 -20.582 1.674 -4.504 237 HA SER 34 HA SER 34 -20.779 -0.926 -5.498 238 1HB SER 34 1HB SER 34 -22.568 0.408 -4.351 239 2HB SER 34 2HB SER 34 -22.754 1.381 -5.811 240 HG SER 34 HG SER 34 -23.091 -1.432 -5.621 241 H LYS 35 H LYS 35 -20.870 2.225 -7.220 242 HA LYS 35 HA LYS 35 -20.849 0.849 -9.864 243 1HB LYS 35 1HB LYS 35 -21.497 3.739 -9.218 244 2HB LYS 35 2HB LYS 35 -21.775 2.882 -10.742 245 1HG LYS 35 1HG LYS 35 -23.202 2.430 -8.085 246 2HG LYS 35 2HG LYS 35 -23.856 3.176 -9.543 247 1HD LYS 35 1HD LYS 35 -23.620 1.027 -10.769 248 2HD LYS 35 2HD LYS 35 -22.997 0.257 -9.294 249 1HE LYS 35 1HE LYS 35 -25.100 0.820 -8.105 250 2HE LYS 35 2HE LYS 35 -25.747 1.517 -9.605 251 1HZ LYS 35 1HZ LYS 35 -24.911 -1.269 -9.222 252 2HZ LYS 35 2HZ LYS 35 -26.467 -0.723 -9.275 253 3HZ LYS 35 3HZ LYS 35 -25.514 -0.631 -10.618 254 H GLY 36 H GLY 36 -18.411 1.059 -8.216 255 1HA GLY 36 1HA GLY 36 -16.289 1.005 -9.037 256 2HA GLY 36 2HA GLY 36 -16.783 1.902 -10.464 257 H ASN 37 H ASN 37 -17.916 4.103 -8.575 258 HA ASN 37 HA ASN 37 -15.817 5.867 -9.051 259 1HB ASN 37 1HB ASN 37 -18.117 6.191 -7.078 260 2HB ASN 37 2HB ASN 37 -17.129 7.488 -7.760 261 1HD2 ASN 37 1HD2 ASN 37 -20.234 5.881 -9.904 262 2HD2 ASN 37 2HD2 ASN 37 -19.781 5.266 -8.330 263 H GLU 38 H GLU 38 -13.957 6.346 -8.001 264 HA GLU 38 HA GLU 38 -13.161 4.959 -5.643 265 1HB GLU 38 1HB GLU 38 -11.654 5.655 -7.453 266 2HB GLU 38 2HB GLU 38 -11.896 7.356 -7.025 267 1HG GLU 38 1HG GLU 38 -10.935 6.911 -4.769 268 2HG GLU 38 2HG GLU 38 -10.735 5.202 -5.196 269 H LEU 39 H LEU 39 -14.311 5.363 -3.807 270 HA LEU 39 HA LEU 39 -15.263 7.958 -2.986 271 1HB LEU 39 1HB LEU 39 -14.893 5.392 -1.388 272 2HB LEU 39 2HB LEU 39 -15.837 6.798 -0.894 273 HG LEU 39 HG LEU 39 -16.443 4.983 -3.275 274 1HD1 LEU 39 1HD1 LEU 39 -16.814 3.933 -1.088 275 2HD1 LEU 39 2HD1 LEU 39 -17.828 5.303 -0.583 276 3HD1 LEU 39 3HD1 LEU 39 -18.350 4.247 -1.913 277 1HD2 LEU 39 1HD2 LEU 39 -17.940 7.397 -2.152 278 2HD2 LEU 39 2HD2 LEU 39 -17.258 7.229 -3.788 279 3HD2 LEU 39 3HD2 LEU 39 -18.634 6.236 -3.299 280 H LEU 40 H LEU 40 -12.597 5.816 -1.904 281 HA LEU 40 HA LEU 40 -11.105 8.199 -0.976 282 1HB LEU 40 1HB LEU 40 -10.315 6.964 1.005 283 2HB LEU 40 2HB LEU 40 -12.030 7.355 0.994 284 HG LEU 40 HG LEU 40 -12.427 4.910 0.180 285 1HD1 LEU 40 1HD1 LEU 40 -9.628 4.647 1.386 286 2HD1 LEU 40 2HD1 LEU 40 -10.746 3.312 1.039 287 3HD1 LEU 40 3HD1 LEU 40 -10.075 4.259 -0.288 288 1HD2 LEU 40 1HD2 LEU 40 -11.431 5.521 2.988 289 2HD2 LEU 40 2HD2 LEU 40 -13.079 5.784 2.377 290 3HD2 LEU 40 3HD2 LEU 40 -12.444 4.139 2.519 291 H SER 41 H SER 41 -8.867 8.020 -1.005 292 HA SER 41 HA SER 41 -8.160 6.909 -3.530 293 1HB SER 41 1HB SER 41 -7.581 9.177 -2.832 294 2HB SER 41 2HB SER 41 -6.584 8.540 -1.503 295 HG SER 41 HG SER 41 -6.170 8.194 -4.285 296 HA PRO 42 HA PRO 42 -5.551 3.501 -1.940 297 1HB PRO 42 1HB PRO 42 -4.333 2.719 -4.232 298 2HB PRO 42 2HB PRO 42 -6.081 2.562 -3.992 299 1HG PRO 42 1HG PRO 42 -4.641 4.815 -5.407 300 2HG PRO 42 2HG PRO 42 -5.972 3.809 -6.050 301 1HD PRO 42 1HD PRO 42 -6.423 6.225 -4.893 302 2HD PRO 42 2HD PRO 42 -7.556 4.863 -4.652 303 H HIS 43 H HIS 43 -4.677 6.439 -1.790 304 HA HIS 43 HA HIS 43 -2.031 5.889 -0.914 305 1HB HIS 43 1HB HIS 43 -0.924 7.537 -2.458 306 2HB HIS 43 2HB HIS 43 -1.279 5.964 -3.149 307 HD1 HIS 43 HD1 HIS 43 -2.781 9.544 -3.240 308 HD2 HIS 43 HD2 HIS 43 -2.494 5.961 -5.425 309 HE1 HIS 43 HE1 HIS 43 -3.841 9.990 -5.524 310 H TYR 44 H TYR 44 -1.561 7.288 0.662 311 HA TYR 44 HA TYR 44 -2.387 10.036 0.717 312 1HB TYR 44 1HB TYR 44 -4.559 9.226 1.331 313 2HB TYR 44 2HB TYR 44 -3.885 8.007 2.399 314 HD1 TYR 44 HD1 TYR 44 -3.305 11.732 2.066 315 HD2 TYR 44 HD2 TYR 44 -4.444 8.453 4.632 316 HE1 TYR 44 HE1 TYR 44 -3.047 13.186 4.048 317 HE2 TYR 44 HE2 TYR 44 -4.294 9.949 6.597 318 HH TYR 44 HH TYR 44 -3.787 12.050 7.368 319 H VAL 45 H VAL 45 -1.946 7.519 3.257 320 HA VAL 45 HA VAL 45 0.161 9.162 4.484 321 HB VAL 45 HB VAL 45 -1.691 8.275 5.826 322 1HG1 VAL 45 1HG1 VAL 45 -2.056 6.079 4.719 323 2HG1 VAL 45 2HG1 VAL 45 -0.491 5.509 5.342 324 3HG1 VAL 45 3HG1 VAL 45 -1.798 5.925 6.463 325 1HG2 VAL 45 1HG2 VAL 45 0.506 8.803 6.848 326 2HG2 VAL 45 2HG2 VAL 45 -0.360 7.517 7.705 327 3HG2 VAL 45 3HG2 VAL 45 0.999 7.107 6.645 328 H GLU 46 H GLU 46 2.270 8.447 4.865 329 HA GLU 46 HA GLU 46 3.091 5.827 3.873 330 1HB GLU 46 1HB GLU 46 4.882 6.626 2.488 331 2HB GLU 46 2HB GLU 46 3.357 7.323 1.922 332 1HG GLU 46 1HG GLU 46 3.893 9.453 3.079 333 2HG GLU 46 2HG GLU 46 5.437 8.770 3.619 334 H PHE 47 H PHE 47 5.400 5.379 4.412 335 HA PHE 47 HA PHE 47 6.295 6.671 6.925 336 1HB PHE 47 1HB PHE 47 5.992 3.669 6.547 337 2HB PHE 47 2HB PHE 47 6.496 4.508 8.010 338 HD1 PHE 47 HD1 PHE 47 4.776 6.086 9.150 339 HD2 PHE 47 HD2 PHE 47 3.693 3.202 6.132 340 HE1 PHE 47 HE1 PHE 47 2.393 6.262 9.826 341 HE2 PHE 47 HE2 PHE 47 1.316 3.389 6.809 342 HZ PHE 47 1HZ PHE 47 0.664 4.912 8.657 343 HA PRO 48 HA PRO 48 10.163 5.948 4.714 344 1HB PRO 48 1HB PRO 48 11.996 6.706 6.549 345 2HB PRO 48 2HB PRO 48 10.780 7.850 5.937 346 1HG PRO 48 1HG PRO 48 10.584 6.230 8.493 347 2HG PRO 48 2HG PRO 48 10.427 8.003 8.307 348 1HD PRO 48 1HD PRO 48 8.244 6.363 8.320 349 2HD PRO 48 2HD PRO 48 8.325 7.795 7.250 350 H ILE 49 H ILE 49 9.239 3.628 4.925 351 HA ILE 49 HA ILE 49 9.171 1.548 5.482 352 HB ILE 49 HB ILE 49 10.963 1.813 3.782 353 1HG1 ILE 49 1HG1 ILE 49 10.981 -0.720 5.473 354 2HG1 ILE 49 2HG1 ILE 49 9.756 -0.268 4.245 355 1HG2 ILE 49 1HG2 ILE 49 12.806 2.534 5.412 356 2HG2 ILE 49 2HG2 ILE 49 12.892 0.837 5.930 357 3HG2 ILE 49 3HG2 ILE 49 13.244 1.273 4.258 358 1HD1 ILE 49 1HD1 ILE 49 11.567 -0.246 2.517 359 2HD1 ILE 49 2HD1 ILE 49 12.706 -0.884 3.730 360 3HD1 ILE 49 3HD1 ILE 49 11.290 -1.835 3.260 361 H LYS 50 H LYS 50 8.551 0.674 7.299 362 HA LYS 50 HA LYS 50 10.431 0.531 9.637 363 1HB LYS 50 1HB LYS 50 7.424 0.906 9.604 364 2HB LYS 50 2HB LYS 50 8.417 0.551 11.034 365 1HG LYS 50 1HG LYS 50 9.764 2.612 10.576 366 2HG LYS 50 2HG LYS 50 8.668 3.009 9.238 367 1HD LYS 50 1HD LYS 50 6.766 3.109 10.815 368 2HD LYS 50 2HD LYS 50 7.849 2.677 12.157 369 1HE LYS 50 1HE LYS 50 9.191 4.728 11.729 370 2HE LYS 50 2HE LYS 50 8.087 5.167 10.410 371 1HZ LYS 50 1HZ LYS 50 7.351 4.865 13.233 372 2HZ LYS 50 2HZ LYS 50 7.554 6.291 12.430 373 3HZ LYS 50 3HZ LYS 50 6.324 5.276 12.008 374 HA PRO 51 HA PRO 51 9.378 -3.697 8.084 375 1HB PRO 51 1HB PRO 51 11.842 -4.748 7.811 376 2HB PRO 51 2HB PRO 51 11.291 -3.448 6.723 377 1HG PRO 51 1HG PRO 51 12.949 -3.122 9.241 378 2HG PRO 51 2HG PRO 51 13.349 -2.550 7.592 379 1HD PRO 51 1HD PRO 51 12.109 -0.950 9.426 380 2HD PRO 51 2HD PRO 51 11.717 -0.867 7.684 381 H GLY 52 H GLY 52 10.546 -5.923 9.034 382 1HA GLY 52 1HA GLY 52 11.318 -7.052 10.975 383 2HA GLY 52 2HA GLY 52 10.738 -5.747 12.015 384 H THR 53 H THR 53 8.152 -5.380 10.846 385 HA THR 53 HA THR 53 6.625 -7.489 12.036 386 HB THR 53 HB THR 53 5.874 -5.148 11.897 387 HG1 THR 53 HG1 THR 53 4.189 -6.936 10.495 388 1HG2 THR 53 1HG2 THR 53 6.682 -4.565 9.602 389 2HG2 THR 53 2HG2 THR 53 5.448 -5.641 8.911 390 H THR 54 H THR 54 5.217 -8.999 10.989 391 HA THR 54 HA THR 54 6.193 -10.185 8.536 392 HB THR 54 HB THR 54 3.612 -10.698 10.065 393 HG1 THR 54 HG1 THR 54 4.851 -12.368 10.987 394 1HG2 THR 54 1HG2 THR 54 5.149 -12.394 8.047 395 2HG2 THR 54 2HG2 THR 54 3.769 -12.948 9.014 396 H LEU 55 H LEU 55 5.089 -10.241 6.531 397 HA LEU 55 HA LEU 55 3.059 -8.118 6.062 398 1HB LEU 55 1HB LEU 55 5.247 -7.323 5.378 399 2HB LEU 55 2HB LEU 55 5.511 -8.758 4.380 400 HG LEU 55 HG LEU 55 3.723 -8.080 2.855 401 1HD1 LEU 55 1HD1 LEU 55 3.243 -5.796 4.823 402 2HD1 LEU 55 2HD1 LEU 55 2.600 -5.846 3.172 403 3HD1 LEU 55 3HD1 LEU 55 2.084 -7.060 4.339 404 1HD2 LEU 55 1HD2 LEU 55 5.976 -7.094 2.531 405 2HD2 LEU 55 2HD2 LEU 55 4.714 -5.955 2.032 406 3HD2 LEU 55 3HD2 LEU 55 5.538 -5.732 3.582 407 H THR 56 H THR 56 1.308 -9.286 5.814 408 HA THR 56 HA THR 56 1.113 -11.459 3.844 409 HB THR 56 HB THR 56 1.928 -12.497 5.924 410 HG1 THR 56 HG1 THR 56 0.270 -14.023 6.088 411 1HG2 THR 56 1HG2 THR 56 1.071 -10.960 7.604 412 2HG2 THR 56 2HG2 THR 56 -0.594 -11.466 7.239 413 H LYS 57 H LYS 57 -1.328 -12.309 4.015 414 HA LYS 57 HA LYS 57 -2.880 -10.089 3.237 415 1HB LYS 57 1HB LYS 57 -3.118 -12.474 2.462 416 2HB LYS 57 2HB LYS 57 -3.939 -12.829 3.994 417 1HG LYS 57 1HG LYS 57 -5.642 -11.042 3.419 418 2HG LYS 57 2HG LYS 57 -4.759 -10.735 1.919 419 1HD LYS 57 1HD LYS 57 -6.607 -12.079 1.335 420 2HD LYS 57 2HD LYS 57 -5.189 -13.138 1.250 421 1HE LYS 57 1HE LYS 57 -5.788 -14.086 3.479 422 2HE LYS 57 2HE LYS 57 -7.159 -12.966 3.584 423 1HZ LYS 57 1HZ LYS 57 -8.081 -14.008 1.657 424 2HZ LYS 57 2HZ LYS 57 -6.805 -15.048 1.553 425 3HZ LYS 57 3HZ LYS 57 -7.822 -15.118 2.851 426 H GLU 58 H GLU 58 -3.017 -12.052 6.282 427 HA GLU 58 HA GLU 58 -5.225 -10.596 7.340 428 1HB GLU 58 1HB GLU 58 -4.873 -11.786 9.394 429 2HB GLU 58 2HB GLU 58 -4.799 -12.832 7.987 430 1HG GLU 58 1HG GLU 58 -3.140 -13.617 9.434 431 2HG GLU 58 2HG GLU 58 -2.285 -12.813 8.125 432 H LYS 59 H LYS 59 -1.752 -9.935 7.473 433 HA LYS 59 HA LYS 59 -1.876 -7.883 9.495 434 1HB LYS 59 1HB LYS 59 0.033 -8.584 7.251 435 2HB LYS 59 2HB LYS 59 0.234 -7.082 8.147 436 1HG LYS 59 1HG LYS 59 0.050 -9.756 9.573 437 2HG LYS 59 2HG LYS 59 1.570 -9.123 8.931 438 1HD LYS 59 1HD LYS 59 1.259 -7.036 10.274 439 2HD LYS 59 2HD LYS 59 -0.187 -7.768 10.999 440 1HE LYS 59 1HE LYS 59 1.205 -9.635 11.865 441 2HE LYS 59 2HE LYS 59 2.646 -8.875 11.154 442 1HZ LYS 59 1HZ LYS 59 0.938 -7.679 13.209 443 2HZ LYS 59 2HZ LYS 59 2.420 -8.361 13.456 444 3HZ LYS 59 3HZ LYS 59 2.282 -6.992 12.545 445 H ILE 60 H ILE 60 -1.855 -7.825 5.913 446 HA ILE 60 HA ILE 60 -2.200 -5.106 5.499 447 HB ILE 60 HB ILE 60 -2.949 -7.572 3.922 448 1HG1 ILE 60 1HG1 ILE 60 -0.541 -6.856 4.242 449 2HG1 ILE 60 2HG1 ILE 60 -1.107 -7.087 2.546 450 1HG2 ILE 60 1HG2 ILE 60 -3.451 -4.726 3.006 451 2HG2 ILE 60 2HG2 ILE 60 -3.342 -6.133 1.929 452 3HG2 ILE 60 3HG2 ILE 60 -4.622 -6.052 3.139 453 1HD1 ILE 60 1HD1 ILE 60 -0.838 -4.358 3.953 454 2HD1 ILE 60 2HD1 ILE 60 0.357 -5.098 2.884 455 3HD1 ILE 60 3HD1 ILE 60 -1.233 -4.661 2.245 456 H GLU 61 H GLU 61 -4.796 -7.572 5.858 457 HA GLU 61 HA GLU 61 -7.015 -6.089 5.297 458 1HB GLU 61 1HB GLU 61 -6.514 -8.289 7.311 459 2HB GLU 61 2HB GLU 61 -8.117 -7.549 7.167 460 1HG GLU 61 1HG GLU 61 -8.294 -8.104 4.847 461 2HG GLU 61 2HG GLU 61 -6.634 -8.693 4.771 462 H TYR 62 H TYR 62 -5.616 -6.281 8.650 463 HA TYR 62 HA TYR 62 -7.418 -4.201 9.546 464 1HB TYR 62 1HB TYR 62 -6.451 -4.416 11.659 465 2HB TYR 62 2HB TYR 62 -6.676 -6.020 10.994 466 HD1 TYR 62 HD1 TYR 62 -4.091 -3.346 11.577 467 HD2 TYR 62 HD2 TYR 62 -4.877 -7.561 11.136 468 HE1 TYR 62 HE1 TYR 62 -1.857 -3.850 12.480 469 HE2 TYR 62 HE2 TYR 62 -2.644 -8.066 12.076 470 HH TYR 62 HH TYR 62 -0.418 -5.483 13.201 471 H TYR 63 H TYR 63 -4.023 -4.291 8.451 472 HA TYR 63 HA TYR 63 -3.263 -1.857 9.607 473 1HB TYR 63 1HB TYR 63 -1.707 -3.606 8.944 474 2HB TYR 63 2HB TYR 63 -2.128 -3.379 7.245 475 HD1 TYR 63 HD1 TYR 63 -1.384 -0.680 9.795 476 HD2 TYR 63 HD2 TYR 63 0.035 -2.915 6.380 477 HE1 TYR 63 HE1 TYR 63 0.591 0.782 9.656 478 HE2 TYR 63 HE2 TYR 63 2.042 -1.473 6.285 479 HH TYR 63 HH TYR 63 3.170 0.310 7.214 480 H VAL 64 H VAL 64 -4.301 -2.531 6.211 481 HA VAL 64 HA VAL 64 -4.081 0.212 5.389 482 HB VAL 64 HB VAL 64 -5.137 -0.407 3.379 483 1HG1 VAL 64 1HG1 VAL 64 -2.832 -1.119 3.610 484 2HG1 VAL 64 2HG1 VAL 64 -3.339 -2.692 4.255 485 3HG1 VAL 64 3HG1 VAL 64 -3.741 -2.236 2.587 486 1HG2 VAL 64 1HG2 VAL 64 -6.083 -2.935 4.776 487 2HG2 VAL 64 2HG2 VAL 64 -7.055 -1.674 4.024 488 3HG2 VAL 64 3HG2 VAL 64 -6.065 -2.739 3.016 489 H GLU 65 H GLU 65 -6.661 -1.702 6.887 490 HA GLU 65 HA GLU 65 -8.784 0.141 6.444 491 1HB GLU 65 1HB GLU 65 -9.074 -2.220 7.044 492 2HB GLU 65 2HB GLU 65 -8.426 -1.901 8.666 493 1HG GLU 65 1HG GLU 65 -10.307 -0.369 9.126 494 2HG GLU 65 2HG GLU 65 -10.881 -0.548 7.460 495 H TRP 66 H TRP 66 -6.350 -0.205 9.069 496 HA TRP 66 HA TRP 66 -7.377 1.949 10.700 497 1HB TRP 66 1HB TRP 66 -4.621 0.722 10.584 498 2HB TRP 66 2HB TRP 66 -5.245 1.779 11.849 499 HD1 TRP 66 HD1 TRP 66 -4.052 -0.809 12.713 500 HE1 TRP 66 HE1 TRP 66 -5.350 -2.697 13.804 501 HE3 TRP 66 HE3 TRP 66 -8.808 0.357 11.062 502 HZ2 TRP 66 HZ2 TRP 66 -8.072 -3.636 13.926 503 HZ3 TRP 66 HZ3 TRP 66 -10.694 -1.063 11.689 504 HH2 TRP 66 HH2 TRP 66 -10.355 -3.077 13.098 505 H ALA 67 H ALA 67 -5.050 1.746 8.005 506 HA ALA 67 HA ALA 67 -3.898 4.317 8.316 507 1HB ALA 67 1HB ALA 67 -2.901 2.522 6.962 508 2HB ALA 67 2HB ALA 67 -4.239 2.644 5.798 509 3HB ALA 67 3HB ALA 67 -3.131 4.008 6.020 510 H LEU 68 H LEU 68 -6.652 3.196 6.262 511 HA LEU 68 HA LEU 68 -7.269 5.869 5.355 512 1HB LEU 68 1HB LEU 68 -9.149 4.896 4.222 513 2HB LEU 68 2HB LEU 68 -7.677 3.961 3.975 514 HG LEU 68 HG LEU 68 -8.602 2.487 5.962 515 1HD1 LEU 68 1HD1 LEU 68 -10.621 3.923 6.457 516 2HD1 LEU 68 2HD1 LEU 68 -11.201 3.602 4.818 517 3HD1 LEU 68 3HD1 LEU 68 -11.022 2.273 5.984 518 1HD2 LEU 68 1HD2 LEU 68 -8.231 1.705 3.661 519 2HD2 LEU 68 2HD2 LEU 68 -9.736 1.043 4.322 520 3HD2 LEU 68 3HD2 LEU 68 -9.800 2.402 3.181 521 H ASP 69 H ASP 69 -8.065 4.091 8.263 522 HA ASP 69 HA ASP 69 -10.328 5.818 8.967 523 1HB ASP 69 1HB ASP 69 -8.693 3.773 10.512 524 2HB ASP 69 2HB ASP 69 -9.992 4.698 11.245 525 H ALA 70 H ALA 70 -7.317 6.779 8.414 526 HA ALA 70 HA ALA 70 -6.989 8.605 10.671 527 1HB ALA 70 1HB ALA 70 -5.925 8.628 7.818 528 2HB ALA 70 2HB ALA 70 -5.436 9.736 9.119 529 3HB ALA 70 3HB ALA 70 -5.079 8.002 9.251 530 H THR 71 H THR 71 -8.512 8.500 7.439 531 HA THR 71 HA THR 71 -9.588 11.245 7.735 532 HB THR 71 HB THR 71 -9.967 11.084 5.317 533 HG1 THR 71 HG1 THR 71 -8.680 8.567 5.546 534 1HG2 THR 71 1HG2 THR 71 -7.808 11.961 6.180 535 2HG2 THR 71 2HG2 THR 71 -7.116 10.325 6.104 536 H ALA 72 H ALA 72 -10.674 7.915 6.851 537 HA ALA 72 HA ALA 72 -13.400 8.800 6.521 538 1HB ALA 72 1HB ALA 72 -12.118 6.046 6.383 539 2HB ALA 72 2HB ALA 72 -13.809 6.416 5.980 540 3HB ALA 72 3HB ALA 72 -12.489 7.141 5.041 541 H TYR 73 H TYR 73 -12.568 5.874 8.336 542 HA TYR 73 HA TYR 73 -13.329 4.943 10.195 543 1HB TYR 73 1HB TYR 73 -12.760 6.109 12.236 544 2HB TYR 73 2HB TYR 73 -11.548 6.331 10.998 545 HD1 TYR 73 HD1 TYR 73 -14.216 8.054 12.939 546 HD2 TYR 73 HD2 TYR 73 -10.967 8.514 10.136 547 HE1 TYR 73 HE1 TYR 73 -14.390 10.506 13.137 548 HE2 TYR 73 HE2 TYR 73 -11.086 10.969 10.415 549 HH TYR 73 HH TYR 73 -13.555 12.544 12.479 550 H LYS 74 H LYS 74 -15.601 6.374 8.662 551 HA LYS 74 HA LYS 74 -17.459 6.790 10.977 552 1HB LYS 74 1HB LYS 74 -16.531 8.875 10.129 553 2HB LYS 74 2HB LYS 74 -17.095 8.505 8.496 554 1HG LYS 74 1HG LYS 74 -19.454 8.520 9.350 555 2HG LYS 74 2HG LYS 74 -18.841 8.882 10.977 556 1HD LYS 74 1HD LYS 74 -17.843 10.987 10.139 557 2HD LYS 74 2HD LYS 74 -18.384 10.597 8.495 558 1HE LYS 74 1HE LYS 74 -20.747 10.641 9.266 559 2HE LYS 74 2HE LYS 74 -20.196 11.062 10.902 560 1HZ LYS 74 1HZ LYS 74 -19.242 13.051 9.995 561 2HZ LYS 74 2HZ LYS 74 -19.764 12.661 8.480 562 3HZ LYS 74 3HZ LYS 74 -20.858 12.981 9.673 563 H GLU 75 H GLU 75 -17.945 6.958 7.442 564 HA GLU 75 HA GLU 75 -20.595 5.847 7.962 565 1HB GLU 75 1HB GLU 75 -20.273 8.026 6.932 566 2HB GLU 75 2HB GLU 75 -19.375 7.303 5.587 567 1HG GLU 75 1HG GLU 75 -21.377 6.026 4.921 568 2HG GLU 75 2HG GLU 75 -22.273 6.687 6.305 569 H PHE 76 H PHE 76 -18.064 5.398 5.505 570 HA PHE 76 HA PHE 76 -19.126 3.630 3.817 571 1HB PHE 76 1HB PHE 76 -16.934 3.119 3.117 572 2HB PHE 76 2HB PHE 76 -16.949 4.789 3.637 573 HD1 PHE 76 HD1 PHE 76 -16.269 4.999 6.383 574 HD2 PHE 76 HD2 PHE 76 -15.010 1.943 3.602 575 HE1 PHE 76 HE1 PHE 76 -14.566 4.238 7.984 576 HE2 PHE 76 HE2 PHE 76 -13.198 1.300 5.159 577 HZ PHE 76 1HZ PHE 76 -13.064 2.341 7.404 578 H ARG 77 H ARG 77 -19.177 1.436 3.404 579 HA ARG 77 HA ARG 77 -19.682 -0.192 5.751 580 1HB ARG 77 1HB ARG 77 -21.263 -0.074 3.909 581 2HB ARG 77 2HB ARG 77 -20.045 -0.645 2.770 582 1HG ARG 77 1HG ARG 77 -21.623 -2.378 3.282 583 2HG ARG 77 2HG ARG 77 -20.019 -2.862 3.821 584 1HD ARG 77 1HD ARG 77 -22.061 -1.600 5.698 585 2HD ARG 77 2HD ARG 77 -22.041 -3.341 5.356 586 HE ARG 77 HE ARG 77 -19.440 -2.804 6.044 587 1HH1 ARG 77 1HH1 ARG 77 -22.578 -2.404 7.679 588 2HH1 ARG 77 2HH1 ARG 77 -21.888 -2.590 9.274 589 1HH2 ARG 77 1HH2 ARG 77 -18.580 -3.036 8.129 590 2HH2 ARG 77 2HH2 ARG 77 -19.622 -2.953 9.531 591 H VAL 78 H VAL 78 -17.846 -0.739 2.717 592 HA VAL 78 HA VAL 78 -16.135 -2.047 2.145 593 HB VAL 78 HB VAL 78 -15.539 -2.750 5.047 594 1HG1 VAL 78 1HG1 VAL 78 -13.903 -2.936 2.485 595 2HG1 VAL 78 2HG1 VAL 78 -13.339 -3.331 4.121 596 3HG1 VAL 78 3HG1 VAL 78 -14.608 -4.307 3.368 597 1HG2 VAL 78 1HG2 VAL 78 -14.394 -0.541 3.283 598 2HG2 VAL 78 2HG2 VAL 78 -15.337 -0.322 4.778 599 3HG2 VAL 78 3HG2 VAL 78 -13.735 -1.065 4.848 600 H VAL 79 H VAL 79 -17.378 -3.456 1.042 601 HA VAL 79 HA VAL 79 -19.079 -5.438 2.264 602 HB VAL 79 HB VAL 79 -18.064 -5.148 -0.602 603 1HG1 VAL 79 1HG1 VAL 79 -20.365 -6.785 0.553 604 2HG1 VAL 79 2HG1 VAL 79 -20.030 -6.551 -1.174 605 3HG1 VAL 79 3HG1 VAL 79 -18.882 -7.441 -0.171 606 1HG2 VAL 79 1HG2 VAL 79 -20.639 -4.219 0.724 607 2HG2 VAL 79 2HG2 VAL 79 -19.343 -3.176 0.093 608 3HG2 VAL 79 3HG2 VAL 79 -20.295 -4.169 -1.019 609 H GLU 80 H GLU 80 -16.159 -5.773 0.178 610 HA GLU 80 HA GLU 80 -14.996 -7.851 1.831 611 1HB GLU 80 1HB GLU 80 -16.805 -9.118 0.705 612 2HB GLU 80 2HB GLU 80 -16.267 -8.521 -0.867 613 1HG GLU 80 1HG GLU 80 -15.552 -10.841 -0.437 614 2HG GLU 80 2HG GLU 80 -14.180 -9.765 -0.688 615 H LEU 81 H LEU 81 -12.844 -7.984 1.442 616 HA LEU 81 HA LEU 81 -11.665 -6.184 -0.544 617 1HB LEU 81 1HB LEU 81 -9.551 -6.739 0.502 618 2HB LEU 81 2HB LEU 81 -10.717 -6.144 1.676 619 HG LEU 81 HG LEU 81 -10.685 -9.120 1.425 620 1HD1 LEU 81 1HD1 LEU 81 -8.230 -7.654 2.455 621 2HD1 LEU 81 2HD1 LEU 81 -8.563 -9.393 2.640 622 3HD1 LEU 81 3HD1 LEU 81 -8.308 -8.708 1.028 623 1HD2 LEU 81 1HD2 LEU 81 -11.918 -7.905 3.215 624 2HD2 LEU 81 2HD2 LEU 81 -10.679 -8.988 3.867 625 3HD2 LEU 81 3HD2 LEU 81 -10.383 -7.238 3.802 626 H ASP 82 H ASP 82 -10.117 -6.826 -2.101 627 HA ASP 82 HA ASP 82 -10.621 -9.445 -3.306 628 1HB ASP 82 1HB ASP 82 -8.924 -7.058 -4.123 629 2HB ASP 82 2HB ASP 82 -8.972 -8.573 -5.023 630 HA PRO 83 HA PRO 83 -7.075 -11.323 -1.322 631 1HB PRO 83 1HB PRO 83 -6.492 -13.374 -3.015 632 2HB PRO 83 2HB PRO 83 -8.001 -13.322 -2.059 633 1HG PRO 83 1HG PRO 83 -7.623 -12.433 -4.935 634 2HG PRO 83 2HG PRO 83 -8.858 -13.561 -4.297 635 1HD PRO 83 1HD PRO 83 -9.405 -10.934 -4.672 636 2HD PRO 83 2HD PRO 83 -10.039 -11.792 -3.235 637 H SER 84 H SER 84 -6.917 -9.846 -4.490 638 HA SER 84 HA SER 84 -4.042 -10.162 -4.833 639 1HB SER 84 1HB SER 84 -5.639 -10.200 -6.720 640 2HB SER 84 2HB SER 84 -6.078 -8.514 -6.384 641 HG SER 84 HG SER 84 -3.483 -9.496 -7.016 642 H ALA 85 H ALA 85 -4.024 -9.148 -2.452 643 HA ALA 85 HA ALA 85 -3.484 -6.256 -2.534 644 1HB ALA 85 1HB ALA 85 -4.064 -7.347 -0.383 645 2HB ALA 85 2HB ALA 85 -2.665 -8.425 -0.546 646 3HB ALA 85 3HB ALA 85 -2.415 -6.681 -0.352 647 H LYS 86 H LYS 86 -1.396 -5.407 -2.954 648 HA LYS 86 HA LYS 86 0.724 -7.300 -3.728 649 1HB LYS 86 1HB LYS 86 0.909 -6.423 -5.970 650 2HB LYS 86 2HB LYS 86 -0.651 -7.213 -5.701 651 1HG LYS 86 1HG LYS 86 -1.680 -4.927 -5.345 652 2HG LYS 86 2HG LYS 86 -0.133 -4.212 -5.823 653 1HD LYS 86 1HD LYS 86 -1.951 -5.976 -7.514 654 2HD LYS 86 2HD LYS 86 -1.646 -4.240 -7.702 655 1HE LYS 86 1HE LYS 86 0.812 -4.836 -8.105 656 2HE LYS 86 2HE LYS 86 0.300 -6.532 -8.199 657 1HZ LYS 86 1HZ LYS 86 -1.151 -5.933 -9.984 658 2HZ LYS 86 2HZ LYS 86 -0.672 -4.357 -9.901 659 3HZ LYS 86 3HZ LYS 86 0.408 -5.524 -10.336 660 H ILE 87 H ILE 87 2.654 -6.657 -3.347 661 HA ILE 87 HA ILE 87 3.336 -3.954 -2.452 662 HB ILE 87 HB ILE 87 4.899 -6.522 -2.951 663 1HG1 ILE 87 1HG1 ILE 87 5.436 -6.321 -0.530 664 2HG1 ILE 87 2HG1 ILE 87 4.303 -4.936 -0.440 665 1HG2 ILE 87 1HG2 ILE 87 5.941 -3.785 -2.147 666 2HG2 ILE 87 2HG2 ILE 87 6.864 -5.298 -1.995 667 3HG2 ILE 87 3HG2 ILE 87 6.390 -4.727 -3.586 668 1HD1 ILE 87 1HD1 ILE 87 3.536 -7.777 -1.220 669 2HD1 ILE 87 2HD1 ILE 87 3.408 -7.129 0.416 670 3HD1 ILE 87 3HD1 ILE 87 2.419 -6.440 -0.871 671 H GLU 88 H GLU 88 3.532 -2.396 -3.929 672 HA GLU 88 HA GLU 88 4.592 -2.997 -6.665 673 1HB GLU 88 1HB GLU 88 2.755 -0.840 -5.583 674 2HB GLU 88 2HB GLU 88 3.539 -0.693 -7.153 675 1HG GLU 88 1HG GLU 88 1.877 -3.139 -6.483 676 2HG GLU 88 2HG GLU 88 1.120 -1.626 -6.990 677 H VAL 89 H VAL 89 6.595 -3.231 -5.324 678 HA VAL 89 HA VAL 89 7.684 -1.003 -3.979 679 HB VAL 89 HB VAL 89 8.284 -3.219 -3.392 680 1HG1 VAL 89 1HG1 VAL 89 8.338 -4.330 -5.603 681 2HG1 VAL 89 2HG1 VAL 89 9.834 -3.461 -6.001 682 3HG1 VAL 89 3HG1 VAL 89 9.807 -4.616 -4.664 683 1HG2 VAL 89 1HG2 VAL 89 9.769 -1.388 -2.826 684 2HG2 VAL 89 2HG2 VAL 89 10.696 -2.871 -3.117 685 3HG2 VAL 89 3HG2 VAL 89 10.661 -1.589 -4.346 686 H THR 90 H THR 90 8.379 0.830 -4.786 687 HA THR 90 HA THR 90 9.211 1.039 -7.641 688 HB THR 90 HB THR 90 7.966 3.076 -5.754 689 HG1 THR 90 HG1 THR 90 6.902 1.602 -7.919 690 1HG2 THR 90 1HG2 THR 90 9.354 4.151 -7.521 691 2HG2 THR 90 2HG2 THR 90 8.515 3.176 -8.754 692 H TYR 91 H TYR 91 11.363 0.492 -7.271 693 HA TYR 91 HA TYR 91 13.001 2.198 -5.475 694 1HB TYR 91 1HB TYR 91 14.765 0.384 -6.299 695 2HB TYR 91 2HB TYR 91 13.718 0.224 -4.913 696 HD1 TYR 91 HD1 TYR 91 13.032 -0.445 -8.594 697 HD2 TYR 91 HD2 TYR 91 13.275 -2.001 -4.570 698 HE1 TYR 91 HE1 TYR 91 12.300 -2.666 -9.391 699 HE2 TYR 91 HE2 TYR 91 12.590 -4.222 -5.392 700 HH TYR 91 HH TYR 91 11.968 -5.484 -7.210 701 H TYR 92 H TYR 92 12.940 4.073 -6.635 702 HA TYR 92 HA TYR 92 14.086 4.313 -9.298 703 1HB TYR 92 1HB TYR 92 12.452 5.921 -8.641 704 2HB TYR 92 2HB TYR 92 13.242 6.204 -7.097 705 HD1 TYR 92 HD1 TYR 92 14.374 6.329 -10.725 706 HD2 TYR 92 HD2 TYR 92 14.229 8.276 -6.878 707 HE1 TYR 92 HE1 TYR 92 15.723 8.196 -11.615 708 HE2 TYR 92 HE2 TYR 92 15.594 10.116 -7.757 709 HH TYR 92 HH TYR 92 16.728 10.219 -11.168 710 H ASP 93 H ASP 93 16.066 3.159 -9.061 711 HA ASP 93 HA ASP 93 18.213 4.770 -7.763 712 1HB ASP 93 1HB ASP 93 17.484 2.738 -6.391 713 2HB ASP 93 2HB ASP 93 18.121 1.736 -7.689 714 H LYS 94 H LYS 94 18.085 5.587 -9.986 715 HA LYS 94 HA LYS 94 18.589 4.189 -12.317 716 1HB LYS 94 1HB LYS 94 19.350 6.339 -13.223 717 2HB LYS 94 2HB LYS 94 17.873 6.495 -12.260 718 1HG LYS 94 1HG LYS 94 19.171 7.368 -10.349 719 2HG LYS 94 2HG LYS 94 20.683 7.155 -11.254 720 1HD LYS 94 1HD LYS 94 19.935 8.769 -12.945 721 2HD LYS 94 2HD LYS 94 18.376 8.950 -12.111 722 1HE LYS 94 1HE LYS 94 19.525 9.812 -10.110 723 2HE LYS 94 2HE LYS 94 21.102 9.604 -10.899 724 1HZ LYS 94 1HZ LYS 94 18.948 11.376 -11.807 725 2HZ LYS 94 2HZ LYS 94 20.325 11.842 -11.029 726 3HZ LYS 94 3HZ LYS 94 20.413 11.186 -12.540 727 H ASN 95 H ASN 95 20.881 4.810 -9.762 728 HA ASN 95 HA ASN 95 23.310 4.778 -11.159 729 1HB ASN 95 1HB ASN 95 22.672 3.757 -8.365 730 2HB ASN 95 2HB ASN 95 24.286 4.091 -9.000 731 1HD2 ASN 95 1HD2 ASN 95 21.813 7.181 -7.819 732 2HD2 ASN 95 2HD2 ASN 95 21.204 5.547 -7.971 733 H LYS 96 H LYS 96 21.171 2.050 -10.274 734 HA LYS 96 HA LYS 96 22.725 0.408 -12.130 735 1HB LYS 96 1HB LYS 96 22.754 -1.550 -10.663 736 2HB LYS 96 2HB LYS 96 23.877 -0.281 -10.215 737 1HG LYS 96 1HG LYS 96 21.193 -0.442 -8.810 738 2HG LYS 96 2HG LYS 96 22.434 -1.609 -8.417 739 1HD LYS 96 1HD LYS 96 22.876 1.400 -8.277 740 2HD LYS 96 2HD LYS 96 22.304 0.423 -6.929 741 1HE LYS 96 1HE LYS 96 24.996 0.075 -8.325 742 2HE LYS 96 2HE LYS 96 24.705 0.867 -6.773 743 1HZ LYS 96 1HZ LYS 96 23.875 -1.201 -5.929 744 2HZ LYS 96 2HZ LYS 96 24.188 -1.954 -7.363 745 3HZ LYS 96 3HZ LYS 96 25.428 -1.349 -6.464 746 H LYS 97 H LYS 97 19.820 0.404 -9.969 747 HA LYS 97 HA LYS 97 18.659 -1.681 -11.634 748 1HB LYS 97 1HB LYS 97 18.575 -1.707 -9.174 749 2HB LYS 97 2HB LYS 97 17.496 -0.299 -9.195 750 1HG LYS 97 1HG LYS 97 15.859 -1.573 -10.551 751 2HG LYS 97 2HG LYS 97 16.944 -2.969 -10.591 752 1HD LYS 97 1HD LYS 97 15.711 -1.773 -8.072 753 2HD LYS 97 2HD LYS 97 15.085 -3.166 -8.978 754 1HE LYS 97 1HE LYS 97 17.262 -4.356 -8.574 755 2HE LYS 97 2HE LYS 97 17.731 -3.030 -7.490 756 1HZ LYS 97 1HZ LYS 97 15.779 -3.504 -6.194 757 2HZ LYS 97 2HZ LYS 97 15.378 -4.751 -7.193 758 3HZ LYS 97 3HZ LYS 97 16.762 -4.824 -6.298 759 H LYS 98 H LYS 98 17.561 1.570 -10.582 760 HA LYS 98 HA LYS 98 16.465 3.212 -11.636 761 1HB LYS 98 1HB LYS 98 17.448 2.286 -13.799 762 2HB LYS 98 2HB LYS 98 15.884 1.495 -14.074 763 1HG LYS 98 1HG LYS 98 14.753 3.674 -14.035 764 2HG LYS 98 2HG LYS 98 16.287 4.494 -13.697 765 1HD LYS 98 1HD LYS 98 15.651 2.836 -16.185 766 2HD LYS 98 2HD LYS 98 15.528 4.598 -16.071 767 1HE LYS 98 1HE LYS 98 17.973 4.714 -15.533 768 2HE LYS 98 2HE LYS 98 18.090 2.963 -15.817 769 1HZ LYS 98 1HZ LYS 98 17.218 4.949 -17.779 770 2HZ LYS 98 2HZ LYS 98 18.686 4.197 -17.738 771 3HZ LYS 98 3HZ LYS 98 17.318 3.322 -18.030 772 H GLU 99 H GLU 99 14.175 3.787 -12.118 773 HA GLU 99 HA GLU 99 12.516 2.539 -10.212 774 1HB GLU 99 1HB GLU 99 12.533 4.950 -10.878 775 2HB GLU 99 2HB GLU 99 11.716 4.521 -12.379 776 1HG GLU 99 1HG GLU 99 9.807 3.611 -11.059 777 2HG GLU 99 2HG GLU 99 10.701 3.932 -9.562 778 H GLU 100 H GLU 100 12.026 0.419 -10.611 779 HA GLU 100 HA GLU 100 10.046 -0.076 -12.799 780 1HB GLU 100 1HB GLU 100 12.076 -2.009 -11.603 781 2HB GLU 100 2HB GLU 100 10.622 -2.500 -12.477 782 1HG GLU 100 1HG GLU 100 12.317 -2.580 -14.080 783 2HG GLU 100 2HG GLU 100 11.410 -1.112 -14.450 784 H THR 101 H THR 101 8.076 -0.302 -12.002 785 HA THR 101 HA THR 101 7.623 -0.586 -9.108 786 HB THR 101 1HB THR 101 5.728 -0.060 -11.431 787 HG1 THR 101 HG1 THR 101 7.254 1.588 -11.057 788 1HG2 THR 101 1HG2 THR 101 4.221 0.755 -9.605 789 2HG2 THR 101 2HG2 THR 101 4.522 -0.984 -9.501 790 H LYS 102 H LYS 102 8.395 -2.747 -8.892 791 HA LYS 102 HA LYS 102 7.542 -4.871 -10.592 792 1HB LYS 102 1HB LYS 102 9.711 -4.591 -9.345 793 2HB LYS 102 2HB LYS 102 8.882 -5.075 -7.867 794 1HG LYS 102 1HG LYS 102 9.165 -6.747 -10.414 795 2HG LYS 102 2HG LYS 102 10.173 -6.874 -8.968 796 1HD LYS 102 1HD LYS 102 8.058 -7.433 -7.653 797 2HD LYS 102 2HD LYS 102 7.241 -7.599 -9.226 798 1HE LYS 102 1HE LYS 102 8.910 -9.285 -9.923 799 2HE LYS 102 2HE LYS 102 9.662 -9.186 -8.317 800 1HZ LYS 102 1HZ LYS 102 6.891 -9.979 -8.865 801 2HZ LYS 102 2HZ LYS 102 8.132 -10.998 -8.484 802 3HZ LYS 102 3HZ LYS 102 7.595 -9.901 -7.376 803 H SER 103 H SER 103 5.658 -5.924 -10.531 804 HA SER 103 HA SER 103 3.755 -5.644 -8.326 805 1HB SER 103 1HB SER 103 3.608 -7.087 -11.007 806 2HB SER 103 2HB SER 103 2.256 -6.844 -9.884 807 HG SER 103 HG SER 103 2.565 -4.598 -10.142 808 H PHE 104 H PHE 104 5.252 -6.791 -6.772 809 HA PHE 104 HA PHE 104 5.105 -9.722 -6.864 810 1HB PHE 104 1HB PHE 104 6.994 -8.686 -5.749 811 2HB PHE 104 2HB PHE 104 5.927 -7.767 -4.700 812 HD1 PHE 104 HD1 PHE 104 7.294 -11.142 -5.434 813 HD2 PHE 104 HD2 PHE 104 4.754 -8.842 -2.827 814 HE1 PHE 104 HE1 PHE 104 7.144 -13.064 -3.874 815 HE2 PHE 104 HE2 PHE 104 4.571 -10.773 -1.291 816 HZ PHE 104 1HZ PHE 104 5.776 -12.889 -1.804 817 HA PRO 105 HA PRO 105 0.906 -9.261 -5.256 818 1HB PRO 105 1HB PRO 105 0.072 -11.819 -5.164 819 2HB PRO 105 2HB PRO 105 0.589 -11.066 -6.682 820 1HG PRO 105 1HG PRO 105 2.336 -12.766 -4.873 821 2HG PRO 105 2HG PRO 105 1.993 -13.017 -6.610 822 1HD PRO 105 1HD PRO 105 4.196 -11.645 -5.754 823 2HD PRO 105 2HD PRO 105 3.309 -11.161 -7.231 824 H ILE 106 H ILE 106 0.758 -12.073 -3.403 825 HA ILE 106 HA ILE 106 2.009 -11.132 -0.989 826 HB ILE 106 HB ILE 106 -0.069 -9.685 -1.193 827 1HG1 ILE 106 1HG1 ILE 106 -0.967 -10.006 1.041 828 2HG1 ILE 106 2HG1 ILE 106 -0.099 -11.581 1.164 829 1HG2 ILE 106 1HG2 ILE 106 -1.520 -11.380 -2.313 830 2HG2 ILE 106 2HG2 ILE 106 -1.605 -12.287 -0.786 831 3HG2 ILE 106 3HG2 ILE 106 -2.278 -10.659 -0.888 832 1HD1 ILE 106 1HD1 ILE 106 1.260 -8.874 0.670 833 2HD1 ILE 106 2HD1 ILE 106 1.007 -9.550 2.286 834 3HD1 ILE 106 3HD1 ILE 106 2.044 -10.404 1.135 835 H THR 107 H THR 107 1.808 -12.721 0.724 836 HA THR 107 HA THR 107 0.707 -15.378 -0.105 837 HB THR 107 HB THR 107 2.540 -16.440 1.097 838 HG1 THR 107 HG1 THR 107 3.591 -13.820 1.327 839 1HG2 THR 107 1HG2 THR 107 4.339 -16.039 -0.498 840 2HG2 THR 107 2HG2 THR 107 2.780 -16.032 -1.346 841 H GLU 108 H GLU 108 -0.560 -16.353 1.374 842 HA GLU 108 HA GLU 108 -1.457 -14.894 3.713 843 1HB GLU 108 1HB GLU 108 -2.064 -17.691 2.678 844 2HB GLU 108 2HB GLU 108 -2.849 -16.923 4.071 845 1HG GLU 108 1HG GLU 108 -3.622 -15.064 2.614 846 2HG GLU 108 2HG GLU 108 -2.893 -15.858 1.211 847 H LYS 109 H LYS 109 0.778 -17.591 3.073 848 HA LYS 109 HA LYS 109 1.219 -18.235 5.847 849 1HB LYS 109 1HB LYS 109 3.129 -19.536 5.047 850 2HB LYS 109 2HB LYS 109 1.599 -19.901 4.277 851 1HG LYS 109 1HG LYS 109 3.208 -20.057 2.602 852 2HG LYS 109 2HG LYS 109 2.272 -18.617 2.250 853 1HD LYS 109 1HD LYS 109 4.647 -18.334 1.783 854 2HD LYS 109 2HD LYS 109 4.149 -17.201 3.031 855 1HE LYS 109 1HE LYS 109 5.183 -18.597 4.770 856 2HE LYS 109 2HE LYS 109 5.510 -19.879 3.582 857 1HZ LYS 109 1HZ LYS 109 6.964 -18.372 2.456 858 2HZ LYS 109 2HZ LYS 109 6.655 -17.181 3.556 859 3HZ LYS 109 3HZ LYS 109 7.427 -18.561 4.028 860 H GLY 110 H GLY 110 2.342 -15.651 3.790 861 1HA GLY 110 1HA GLY 110 3.203 -13.686 4.464 862 2HA GLY 110 2HA GLY 110 3.239 -14.292 6.135 863 H PHE 111 H PHE 111 5.147 -12.631 5.585 864 HA PHE 111 HA PHE 111 7.574 -14.183 5.829 865 1HB PHE 111 1HB PHE 111 8.773 -13.087 3.974 866 2HB PHE 111 2HB PHE 111 7.497 -14.152 3.409 867 HD1 PHE 111 HD1 PHE 111 5.406 -13.231 2.433 868 HD2 PHE 111 HD2 PHE 111 8.690 -10.674 3.536 869 HE1 PHE 111 HE1 PHE 111 4.419 -11.395 1.093 870 HE2 PHE 111 HE2 PHE 111 7.731 -8.853 2.156 871 HZ PHE 111 1HZ PHE 111 5.586 -9.202 0.942 872 H VAL 112 H VAL 112 9.005 -13.120 7.088 873 HA VAL 112 HA VAL 112 8.382 -10.522 8.220 874 HB VAL 112 HB VAL 112 10.761 -12.401 8.445 875 1HG1 VAL 112 1HG1 VAL 112 10.245 -9.735 9.817 876 2HG1 VAL 112 2HG1 VAL 112 11.420 -10.936 10.393 877 3HG1 VAL 112 3HG1 VAL 112 11.645 -10.171 8.817 878 1HG2 VAL 112 1HG2 VAL 112 8.648 -13.173 9.510 879 2HG2 VAL 112 2HG2 VAL 112 9.867 -12.755 10.723 880 3HG2 VAL 112 3HG2 VAL 112 8.532 -11.634 10.389 881 H VAL 113 H VAL 113 8.928 -8.590 7.411 882 HA VAL 113 HA VAL 113 10.412 -8.329 4.959 883 HB VAL 113 HB VAL 113 9.495 -6.193 6.918 884 1HG1 VAL 113 1HG1 VAL 113 11.255 -5.427 5.309 885 2HG1 VAL 113 2HG1 VAL 113 10.265 -6.029 3.966 886 3HG1 VAL 113 3HG1 VAL 113 9.681 -4.690 4.974 887 1HG2 VAL 113 1HG2 VAL 113 8.141 -7.339 4.434 888 2HG2 VAL 113 2HG2 VAL 113 7.570 -7.502 6.108 889 3HG2 VAL 113 3HG2 VAL 113 7.597 -5.911 5.339 890 HA PRO 114 HA PRO 114 14.199 -8.404 7.421 891 1HB PRO 114 1HB PRO 114 16.082 -8.575 5.483 892 2HB PRO 114 2HB PRO 114 14.880 -9.854 5.761 893 1HG PRO 114 1HG PRO 114 14.701 -7.661 3.671 894 2HG PRO 114 2HG PRO 114 14.512 -9.421 3.447 895 1HD PRO 114 1HD PRO 114 12.381 -7.731 3.824 896 2HD PRO 114 2HD PRO 114 12.392 -9.414 4.427 897 H ASP 115 H ASP 115 15.863 -6.631 4.936 898 HA ASP 115 HA ASP 115 15.230 -3.964 5.811 899 1HB ASP 115 1HB ASP 115 16.624 -4.615 7.736 900 2HB ASP 115 2HB ASP 115 17.900 -5.178 6.650 901 H LEU 116 H LEU 116 15.197 -3.082 3.839 902 HA LEU 116 HA LEU 116 16.938 -4.050 1.693 903 1HB LEU 116 1HB LEU 116 14.503 -3.692 1.438 904 2HB LEU 116 2HB LEU 116 14.715 -1.972 1.720 905 HG LEU 116 HG LEU 116 14.396 -2.548 -0.626 906 1HD1 LEU 116 1HD1 LEU 116 15.880 -0.598 0.100 907 2HD1 LEU 116 2HD1 LEU 116 17.256 -1.588 -0.429 908 3HD1 LEU 116 3HD1 LEU 116 15.984 -1.132 -1.579 909 1HD2 LEU 116 1HD2 LEU 116 15.470 -4.796 -0.613 910 2HD2 LEU 116 2HD2 LEU 116 15.991 -3.770 -1.962 911 3HD2 LEU 116 3HD2 LEU 116 17.066 -4.012 -0.577 912 H SER 117 H SER 117 18.995 -3.332 2.116 913 HA SER 117 HA SER 117 19.690 -0.680 1.369 914 1HB SER 117 1HB SER 117 19.020 -0.063 3.672 915 2HB SER 117 2HB SER 117 20.079 -1.319 4.330 916 HG SER 117 HG SER 117 20.863 0.897 2.734 917 H GLU 118 H GLU 118 20.870 -2.011 -0.113 918 HA GLU 118 HA GLU 118 23.474 -2.903 0.888 919 1HB GLU 118 1HB GLU 118 22.058 -4.860 1.266 920 2HB GLU 118 2HB GLU 118 21.532 -4.875 -0.415 921 1HG GLU 118 1HG GLU 118 24.457 -5.119 0.443 922 2HG GLU 118 2HG GLU 118 23.378 -6.509 0.306 923 H HIS 119 H HIS 119 21.499 -3.488 -2.050 924 HA HIS 119 HA HIS 119 23.663 -2.363 -3.735 925 1HB HIS 119 1HB HIS 119 22.459 -3.347 -5.601 926 2HB HIS 119 2HB HIS 119 22.940 -4.529 -4.391 927 HD1 HIS 119 HD1 HIS 119 20.623 -4.914 -2.518 928 HD2 HIS 119 HD2 HIS 119 20.200 -4.062 -6.617 929 HE1 HIS 119 HE1 HIS 119 18.320 -5.769 -3.211 930 H ILE 120 H ILE 120 20.121 -2.104 -3.285 931 HA ILE 120 HA ILE 120 20.212 0.776 -4.087 932 HB ILE 120 HB ILE 120 17.804 0.513 -4.509 933 1HG1 ILE 120 1HG1 ILE 120 18.141 -2.506 -4.423 934 2HG1 ILE 120 2HG1 ILE 120 17.701 -1.618 -2.967 935 1HG2 ILE 120 1HG2 ILE 120 19.548 0.215 -6.320 936 2HG2 ILE 120 2HG2 ILE 120 19.427 -1.529 -6.102 937 3HG2 ILE 120 3HG2 ILE 120 18.016 -0.607 -6.649 938 1HD1 ILE 120 1HD1 ILE 120 16.157 -1.514 -5.581 939 2HD1 ILE 120 2HD1 ILE 120 15.714 -2.463 -4.149 940 3HD1 ILE 120 3HD1 ILE 120 15.729 -0.690 -4.064 941 H LYS 121 H LYS 121 18.499 2.081 -2.798 942 HA LYS 121 HA LYS 121 17.898 1.079 -0.136 943 1HB LYS 121 1HB LYS 121 19.295 2.657 1.118 944 2HB LYS 121 2HB LYS 121 20.234 1.508 0.190 945 1HG LYS 121 1HG LYS 121 21.345 3.543 0.009 946 2HG LYS 121 2HG LYS 121 20.618 3.276 -1.576 947 1HD LYS 121 1HD LYS 121 18.912 4.950 -1.135 948 2HD LYS 121 2HD LYS 121 19.363 5.032 0.587 949 1HE LYS 121 1HE LYS 121 21.568 5.949 -0.035 950 2HE LYS 121 2HE LYS 121 21.127 5.857 -1.751 951 1HZ LYS 121 1HZ LYS 121 19.334 7.374 -1.286 952 2HZ LYS 121 2HZ LYS 121 19.767 7.457 0.302 953 3HZ LYS 121 3HZ LYS 121 20.783 8.035 -0.862 954 H ASN 122 H ASN 122 16.555 2.535 -2.533 955 HA ASN 122 HA ASN 122 14.948 4.241 -0.724 956 1HB ASN 122 1HB ASN 122 14.854 6.097 -2.128 957 2HB ASN 122 2HB ASN 122 16.555 5.748 -1.838 958 1HD2 ASN 122 1HD2 ASN 122 17.054 4.600 -5.317 959 2HD2 ASN 122 2HD2 ASN 122 17.441 4.069 -3.695 960 HA PRO 123 HA PRO 123 12.434 1.388 -3.433 961 1HB PRO 123 1HB PRO 123 11.376 -0.237 -1.548 962 2HB PRO 123 2HB PRO 123 13.037 -0.477 -2.159 963 1HG PRO 123 1HG PRO 123 12.201 1.045 0.332 964 2HG PRO 123 2HG PRO 123 13.389 -0.288 0.231 965 1HD PRO 123 1HD PRO 123 14.214 2.274 0.155 966 2HD PRO 123 2HD PRO 123 14.939 1.081 -0.958 967 H GLY 124 H GLY 124 10.028 0.986 -3.212 968 1HA GLY 124 1HA GLY 124 8.572 3.097 -1.688 969 2HA GLY 124 2HA GLY 124 8.474 3.018 -3.455 970 H PHE 125 H PHE 125 8.235 0.859 -0.606 971 HA PHE 125 HA PHE 125 6.660 -1.187 -1.809 972 1HB PHE 125 1HB PHE 125 7.193 -0.324 1.043 973 2HB PHE 125 2HB PHE 125 6.165 -1.701 0.657 974 HD1 PHE 125 HD1 PHE 125 9.661 -0.414 0.478 975 HD2 PHE 125 HD2 PHE 125 7.051 -3.820 0.044 976 HE1 PHE 125 HE1 PHE 125 11.629 -1.929 0.400 977 HE2 PHE 125 HE2 PHE 125 9.022 -5.315 -0.081 978 HZ PHE 125 1HZ PHE 125 11.315 -4.368 0.095 979 H ASN 126 H ASN 126 4.931 -0.202 -2.935 980 HA ASN 126 HA ASN 126 2.985 1.406 -1.378 981 1HB ASN 126 1HB ASN 126 3.261 0.935 -4.358 982 2HB ASN 126 2HB ASN 126 2.113 2.028 -3.569 983 1HD2 ASN 126 1HD2 ASN 126 5.143 3.926 -4.812 984 2HD2 ASN 126 2HD2 ASN 126 4.000 2.829 -5.556 985 H LEU 127 H LEU 127 1.749 0.062 -0.225 986 HA LEU 127 HA LEU 127 0.750 -2.479 -1.292 987 1HB LEU 127 1HB LEU 127 0.442 -1.007 1.356 988 2HB LEU 127 2HB LEU 127 -0.417 -2.493 0.971 989 HG LEU 127 HG LEU 127 1.473 -2.962 2.342 990 1HD1 LEU 127 1HD1 LEU 127 0.753 -4.602 0.564 991 2HD1 LEU 127 2HD1 LEU 127 2.084 -4.010 -0.446 992 3HD1 LEU 127 3HD1 LEU 127 2.431 -4.776 1.108 993 1HD2 LEU 127 1HD2 LEU 127 2.962 -1.080 1.645 994 2HD2 LEU 127 2HD2 LEU 127 3.770 -2.654 1.745 995 3HD2 LEU 127 3HD2 LEU 127 3.351 -1.991 0.162 996 H ILE 128 H ILE 128 -0.573 -1.938 -3.004 997 HA ILE 128 HA ILE 128 -3.075 -0.430 -2.398 998 HB ILE 128 HB ILE 128 -1.823 -1.338 -5.022 999 1HG1 ILE 128 1HG1 ILE 128 -2.110 1.131 -5.547 1000 2HG1 ILE 128 2HG1 ILE 128 -2.497 1.377 -3.832 1001 1HG2 ILE 128 1HG2 ILE 128 -4.558 -0.107 -4.478 1002 2HG2 ILE 128 2HG2 ILE 128 -3.818 -0.257 -6.085 1003 3HG2 ILE 128 3HG2 ILE 128 -4.240 -1.708 -5.186 1004 1HD1 ILE 128 1HD1 ILE 128 0.120 0.172 -4.824 1005 2HD1 ILE 128 2HD1 ILE 128 -0.129 1.913 -4.592 1006 3HD1 ILE 128 3HD1 ILE 128 -0.233 0.834 -3.202 1007 H THR 129 H THR 129 -4.927 -1.521 -2.146 1008 HA THR 129 HA THR 129 -5.230 -4.307 -3.086 1009 HB THR 129 HB THR 129 -5.847 -3.433 -0.220 1010 HG1 THR 129 HG1 THR 129 -4.188 -4.881 0.303 1011 1HG2 THR 129 1HG2 THR 129 -6.325 -5.847 0.115 1012 2HG2 THR 129 2HG2 THR 129 -7.424 -5.138 -1.079 1013 H LYS 130 H LYS 130 -7.038 -4.149 -4.373 1014 HA LYS 130 HA LYS 130 -8.854 -1.927 -4.074 1015 1HB LYS 130 1HB LYS 130 -8.238 -2.942 -6.234 1016 2HB LYS 130 2HB LYS 130 -9.105 -4.420 -5.812 1017 1HG LYS 130 1HG LYS 130 -10.544 -1.754 -5.680 1018 2HG LYS 130 2HG LYS 130 -10.189 -2.424 -7.266 1019 1HD LYS 130 1HD LYS 130 -11.716 -4.003 -5.156 1020 2HD LYS 130 2HD LYS 130 -12.478 -2.913 -6.316 1021 1HE LYS 130 1HE LYS 130 -11.544 -4.185 -8.203 1022 2HE LYS 130 2HE LYS 130 -10.781 -5.322 -7.080 1023 1HZ LYS 130 1HZ LYS 130 -13.659 -4.816 -7.319 1024 2HZ LYS 130 2HZ LYS 130 -12.852 -6.135 -7.893 1025 3HZ LYS 130 3HZ LYS 130 -12.953 -5.873 -6.268 1026 H VAL 131 H VAL 131 -10.777 -1.828 -3.025 1027 HA VAL 131 HA VAL 131 -11.994 -4.312 -1.954 1028 HB VAL 131 HB VAL 131 -12.346 -3.361 0.203 1029 1HG1 VAL 131 1HG1 VAL 131 -10.129 -4.490 -0.252 1030 2HG1 VAL 131 2HG1 VAL 131 -9.410 -2.883 -0.432 1031 3HG1 VAL 131 3HG1 VAL 131 -10.125 -3.362 1.114 1032 1HG2 VAL 131 1HG2 VAL 131 -10.939 -0.849 -0.796 1033 2HG2 VAL 131 2HG2 VAL 131 -12.619 -0.996 -0.232 1034 3HG2 VAL 131 3HG2 VAL 131 -11.293 -1.204 0.908 1035 H VAL 132 H VAL 132 -14.156 -4.376 -2.074 1036 HA VAL 132 HA VAL 132 -15.552 -2.251 -3.531 1037 HB VAL 132 HB VAL 132 -16.477 -4.950 -2.464 1038 1HG1 VAL 132 1HG1 VAL 132 -17.833 -2.973 -4.356 1039 2HG1 VAL 132 2HG1 VAL 132 -18.395 -4.624 -4.025 1040 3HG1 VAL 132 3HG1 VAL 132 -18.395 -3.422 -2.732 1041 1HG2 VAL 132 1HG2 VAL 132 -15.658 -4.054 -5.265 1042 2HG2 VAL 132 2HG2 VAL 132 -14.767 -5.190 -4.229 1043 3HG2 VAL 132 3HG2 VAL 132 -16.361 -5.631 -4.852 1044 H ILE 133 H ILE 133 -17.033 -0.862 -2.650 1045 HA ILE 133 HA ILE 133 -17.642 -0.993 0.265 1046 HB ILE 133 HB ILE 133 -16.651 1.458 -1.247 1047 1HG1 ILE 133 1HG1 ILE 133 -15.224 -0.248 0.837 1048 2HG1 ILE 133 2HG1 ILE 133 -14.808 -0.084 -0.902 1049 1HG2 ILE 133 1HG2 ILE 133 -18.306 1.979 0.520 1050 2HG2 ILE 133 2HG2 ILE 133 -17.313 1.096 1.699 1051 3HG2 ILE 133 3HG2 ILE 133 -16.719 2.581 0.919 1052 1HD1 ILE 133 1HD1 ILE 133 -14.422 2.391 -0.465 1053 2HD1 ILE 133 2HD1 ILE 133 -14.606 2.076 1.276 1054 3HD1 ILE 133 3HD1 ILE 133 -13.299 1.306 0.384 1055 H GLU 134 H GLU 134 -19.730 -0.579 0.679 1056 HA GLU 134 HA GLU 134 -21.412 0.911 -1.299 1057 1HB GLU 134 1HB GLU 134 -22.254 -0.558 1.233 1058 2HB GLU 134 2HB GLU 134 -23.310 0.224 0.048 1059 1HG GLU 134 1HG GLU 134 -21.577 -2.234 -0.380 1060 2HG GLU 134 2HG GLU 134 -23.334 -2.193 -0.252 1061 H LYS 135 H LYS 135 -21.809 3.042 -0.827 1062 HA LYS 135 HA LYS 135 -20.516 4.269 1.446 1063 1HB LYS 135 1HB LYS 135 -20.728 5.337 -0.758 1064 2HB LYS 135 2HB LYS 135 -22.484 5.456 -0.553 1065 1HG LYS 135 1HG LYS 135 -22.180 6.899 1.417 1066 2HG LYS 135 2HG LYS 135 -20.420 6.654 1.356 1067 1HD LYS 135 1HD LYS 135 -20.347 7.741 -0.873 1068 2HD LYS 135 2HD LYS 135 -22.099 8.022 -0.790 1069 1HE LYS 135 1HE LYS 135 -21.788 9.417 1.229 1070 2HE LYS 135 2HE LYS 135 -20.040 9.095 1.194 1071 1HZ LYS 135 1HZ LYS 135 -19.944 10.181 -0.918 1072 2HZ LYS 135 2HZ LYS 135 -21.566 10.484 -0.887 1073 3HZ LYS 135 3HZ LYS 135 -20.574 11.189 0.226 1074 H LYS 136 H LYS 136 -21.326 3.544 3.346 1075 HA LYS 136 HA LYS 136 -22.645 3.107 5.065 1076 1HB LYS 136 1HB LYS 136 -23.590 5.505 4.419 1077 2HB LYS 136 2HB LYS 136 -25.025 4.604 3.951 1078 1HG LYS 136 1HG LYS 136 -23.691 4.588 6.708 1079 2HG LYS 136 2HG LYS 136 -25.120 5.502 6.230 1080 1HD LYS 136 1HD LYS 136 -26.223 3.790 7.174 1081 2HD LYS 136 2HD LYS 136 -26.037 3.051 5.581 1082 1HE LYS 136 1HE LYS 136 -23.969 1.864 6.482 1083 2HE LYS 136 2HE LYS 136 -24.274 2.626 8.050 1084 1HZ LYS 136 1HZ LYS 136 -26.369 1.502 8.114 1085 2HZ LYS 136 2HZ LYS 136 -26.091 0.805 6.646 1086 3HZ LYS 136 3HZ LYS 136 -25.137 0.421 7.935 No H/Q in entry = 1086 Start of MODEL 17 1 H SER 1 H SER 1 -13.645 9.988 5.543 2 HA SER 1 HA SER 1 -16.554 10.340 5.261 3 1HB SER 1 1HB SER 1 -14.522 12.141 3.860 4 2HB SER 1 2HB SER 1 -16.265 12.077 3.513 5 HG SER 1 HG SER 1 -15.022 12.825 5.942 6 H SER 2 H SER 2 -15.912 7.981 4.960 7 HA SER 2 HA SER 2 -15.803 6.178 3.638 8 1HB SER 2 1HB SER 2 -17.587 7.567 2.498 9 2HB SER 2 2HB SER 2 -16.387 8.040 1.293 10 HG SER 2 HG SER 2 -17.215 5.406 1.941 11 H SER 3 H SER 3 -13.368 6.978 4.329 12 HA SER 3 HA SER 3 -11.180 6.884 3.932 13 1HB SER 3 1HB SER 3 -11.685 4.802 2.701 14 2HB SER 3 2HB SER 3 -11.812 5.712 1.195 15 HG SER 3 HG SER 3 -9.761 4.811 1.491 16 H PHE 4 H PHE 4 -9.395 7.961 2.755 17 HA PHE 4 HA PHE 4 -8.423 9.821 1.946 18 1HB PHE 4 1HB PHE 4 -9.195 8.711 -0.109 19 2HB PHE 4 2HB PHE 4 -10.638 9.715 -0.141 20 HD1 PHE 4 HD1 PHE 4 -6.955 9.628 -0.515 21 HD2 PHE 4 HD2 PHE 4 -10.534 11.947 -1.091 22 HE1 PHE 4 HE1 PHE 4 -5.694 11.210 -1.946 23 HE2 PHE 4 HE2 PHE 4 -9.278 13.516 -2.537 24 HZ PHE 4 1HZ PHE 4 -6.857 13.155 -2.966 25 H ASP 5 H ASP 5 -9.322 10.650 4.082 26 HA ASP 5 HA ASP 5 -11.005 13.087 3.631 27 1HB ASP 5 1HB ASP 5 -11.968 11.326 5.107 28 2HB ASP 5 2HB ASP 5 -10.579 11.485 6.180 29 H LYS 6 H LYS 6 -8.353 13.030 2.840 30 HA LYS 6 HA LYS 6 -7.013 14.900 4.727 31 1HB LYS 6 1HB LYS 6 -6.011 12.325 3.508 32 2HB LYS 6 2HB LYS 6 -4.867 13.643 3.720 33 1HG LYS 6 1HG LYS 6 -6.560 12.955 6.105 34 2HG LYS 6 2HG LYS 6 -5.334 11.789 5.612 35 1HD LYS 6 1HD LYS 6 -4.447 13.266 7.302 36 2HD LYS 6 2HD LYS 6 -3.562 13.426 5.782 37 1HE LYS 6 1HE LYS 6 -4.758 15.534 5.288 38 2HE LYS 6 2HE LYS 6 -5.722 15.341 6.771 39 1HZ LYS 6 1HZ LYS 6 -2.809 15.648 6.645 40 2HZ LYS 6 2HZ LYS 6 -3.887 16.824 7.063 41 3HZ LYS 6 3HZ LYS 6 -3.707 15.494 8.019 42 H GLY 7 H GLY 7 -7.117 13.504 1.413 43 1HA GLY 7 1HA GLY 7 -7.325 14.685 -0.569 44 2HA GLY 7 2HA GLY 7 -6.983 16.207 0.251 45 H LYS 8 H LYS 8 -5.308 13.055 -0.180 46 HA LYS 8 HA LYS 8 -3.251 12.459 -0.765 47 1HB LYS 8 1HB LYS 8 -4.168 13.354 -2.903 48 2HB LYS 8 2HB LYS 8 -3.302 14.871 -2.608 49 1HG LYS 8 1HG LYS 8 -1.143 13.638 -2.640 50 2HG LYS 8 2HG LYS 8 -2.016 12.103 -2.750 51 1HD LYS 8 1HD LYS 8 -1.162 12.676 -4.922 52 2HD LYS 8 2HD LYS 8 -2.931 12.758 -4.956 53 1HE LYS 8 1HE LYS 8 -2.837 15.223 -4.810 54 2HE LYS 8 2HE LYS 8 -1.070 15.161 -4.640 55 1HZ LYS 8 1HZ LYS 8 -0.968 14.205 -6.818 56 2HZ LYS 8 2HZ LYS 8 -2.610 14.257 -6.966 57 3HZ LYS 8 3HZ LYS 8 -1.745 15.658 -6.860 58 H TYR 9 H TYR 9 -2.702 13.004 1.461 59 HA TYR 9 HA TYR 9 -1.044 15.381 1.932 60 1HB TYR 9 1HB TYR 9 -2.799 14.698 3.475 61 2HB TYR 9 2HB TYR 9 -2.043 13.127 3.701 62 HD1 TYR 9 HD1 TYR 9 -1.420 16.815 4.099 63 HD2 TYR 9 HD2 TYR 9 -0.552 12.838 5.525 64 HE1 TYR 9 HE1 TYR 9 -0.218 17.772 6.044 65 HE2 TYR 9 HE2 TYR 9 0.644 13.797 7.468 66 HH TYR 9 HH TYR 9 1.306 15.715 8.555 67 H LYS 10 H LYS 10 -0.383 12.429 0.535 68 HA LYS 10 HA LYS 10 1.968 11.654 2.018 69 1HB LYS 10 1HB LYS 10 2.238 9.971 0.205 70 2HB LYS 10 2HB LYS 10 0.716 9.956 1.045 71 1HG LYS 10 1HG LYS 10 0.270 9.509 -1.207 72 2HG LYS 10 2HG LYS 10 -0.425 11.065 -0.811 73 1HD LYS 10 1HD LYS 10 0.367 11.400 -2.908 74 2HD LYS 10 2HD LYS 10 1.674 12.100 -1.976 75 1HE LYS 10 1HE LYS 10 1.618 9.276 -3.176 76 2HE LYS 10 2HE LYS 10 2.351 10.691 -3.941 77 1HZ LYS 10 1HZ LYS 10 3.846 10.865 -2.106 78 2HZ LYS 10 2HZ LYS 10 3.217 9.505 -1.413 79 3HZ LYS 10 3HZ LYS 10 3.986 9.408 -2.863 80 H LYS 11 H LYS 11 3.913 11.056 0.393 81 HA LYS 11 HA LYS 11 5.499 11.634 -1.063 82 1HB LYS 11 1HB LYS 11 3.782 13.200 -2.195 83 2HB LYS 11 2HB LYS 11 4.624 14.508 -1.336 84 1HG LYS 11 1HG LYS 11 6.746 13.805 -2.450 85 2HG LYS 11 2HG LYS 11 5.866 12.464 -3.218 86 1HD LYS 11 1HD LYS 11 4.375 14.107 -4.357 87 2HD LYS 11 2HD LYS 11 5.291 15.428 -3.609 88 1HE LYS 11 1HE LYS 11 6.054 15.120 -5.887 89 2HE LYS 11 2HE LYS 11 7.351 14.632 -4.782 90 1HZ LYS 11 1HZ LYS 11 5.477 12.827 -6.156 91 2HZ LYS 11 2HZ LYS 11 7.049 13.087 -6.581 92 3HZ LYS 11 3HZ LYS 11 6.694 12.355 -5.149 93 H GLY 12 H GLY 12 4.706 13.374 1.813 94 1HA GLY 12 1HA GLY 12 6.898 15.046 2.190 95 2HA GLY 12 2HA GLY 12 5.891 14.337 3.456 96 H ASP 13 H ASP 13 6.665 11.527 2.824 97 HA ASP 13 HA ASP 13 9.040 11.491 4.516 98 1HB ASP 13 1HB ASP 13 6.970 10.091 4.846 99 2HB ASP 13 2HB ASP 13 7.416 9.188 3.392 100 H ASP 14 H ASP 14 10.020 12.603 2.347 101 HA ASP 14 HA ASP 14 11.472 12.527 0.625 102 1HB ASP 14 1HB ASP 14 12.512 10.095 2.139 103 2HB ASP 14 2HB ASP 14 13.421 11.093 0.994 104 H ALA 15 H ALA 15 9.104 11.498 -0.214 105 HA ALA 15 HA ALA 15 9.733 9.035 -1.797 106 1HB ALA 15 1HB ALA 15 8.015 8.793 -0.021 107 2HB ALA 15 2HB ALA 15 7.095 10.115 -0.741 108 3HB ALA 15 3HB ALA 15 7.317 8.602 -1.646 109 H SER 16 H SER 16 10.751 11.205 -2.922 110 HA SER 16 HA SER 16 8.777 12.686 -4.473 111 1HB SER 16 1HB SER 16 11.799 12.895 -4.330 112 2HB SER 16 2HB SER 16 10.698 14.055 -5.117 113 HG SER 16 HG SER 16 9.709 14.341 -3.072 114 H TYR 17 H TYR 17 11.478 12.550 -6.388 115 HA TYR 17 HA TYR 17 10.935 10.188 -7.972 116 1HB TYR 17 1HB TYR 17 9.007 11.721 -8.531 117 2HB TYR 17 2HB TYR 17 10.166 12.937 -9.045 118 HD1 TYR 17 HD1 TYR 17 11.525 12.572 -11.126 119 HD2 TYR 17 HD2 TYR 17 8.430 9.832 -9.903 120 HE1 TYR 17 HE1 TYR 17 11.524 11.562 -13.388 121 HE2 TYR 17 HE2 TYR 17 8.408 8.844 -12.173 122 HH TYR 17 HH TYR 17 9.312 8.888 -14.289 123 H PHE 18 H PHE 18 12.630 9.875 -9.448 124 HA PHE 18 HA PHE 18 14.653 10.003 -10.371 125 1HB PHE 18 1HB PHE 18 13.988 11.935 -11.543 126 2HB PHE 18 2HB PHE 18 14.201 12.995 -10.162 127 HD1 PHE 18 HD1 PHE 18 16.026 11.016 -12.722 128 HD2 PHE 18 HD2 PHE 18 16.314 13.943 -9.568 129 HE1 PHE 18 HE1 PHE 18 18.330 11.590 -13.454 130 HE2 PHE 18 HE2 PHE 18 18.594 14.539 -10.331 131 HZ PHE 18 1HZ PHE 18 19.614 13.350 -12.261 132 H GLU 19 H GLU 19 16.376 9.223 -9.410 133 HA GLU 19 HA GLU 19 18.078 8.829 -8.078 134 1HB GLU 19 1HB GLU 19 17.853 11.767 -7.303 135 2HB GLU 19 2HB GLU 19 19.117 10.709 -6.706 136 1HG GLU 19 1HG GLU 19 19.873 10.192 -8.959 137 2HG GLU 19 2HG GLU 19 18.578 11.169 -9.664 138 HA PRO 20 HA PRO 20 16.269 7.424 -4.354 139 1HB PRO 20 1HB PRO 20 18.393 6.652 -2.828 140 2HB PRO 20 2HB PRO 20 17.958 5.838 -4.355 141 1HG PRO 20 1HG PRO 20 20.042 7.999 -3.999 142 2HG PRO 20 2HG PRO 20 20.224 6.407 -4.792 143 1HD PRO 20 1HD PRO 20 19.701 8.617 -6.247 144 2HD PRO 20 2HD PRO 20 18.868 7.087 -6.637 145 H THR 21 H THR 21 15.263 9.345 -3.653 146 HA THR 21 HA THR 21 16.640 11.267 -1.952 147 HB THR 21 1HB THR 21 14.336 12.153 -1.594 148 HG1 THR 21 HG1 THR 21 13.183 10.218 -1.900 149 1HG2 THR 21 1HG2 THR 21 14.079 13.019 -3.856 150 2HG2 THR 21 2HG2 THR 21 15.802 12.922 -3.463 151 H GLY 22 H GLY 22 14.410 8.488 -1.488 152 1HA GLY 22 1HA GLY 22 15.656 7.471 0.701 153 2HA GLY 22 2HA GLY 22 14.494 8.610 1.418 154 HA PRO 23 HA PRO 23 12.256 4.596 0.278 155 1HB PRO 23 1HB PRO 23 12.327 3.150 2.551 156 2HB PRO 23 2HB PRO 23 13.729 3.193 1.450 157 1HG PRO 23 1HG PRO 23 13.315 4.899 3.926 158 2HG PRO 23 2HG PRO 23 14.736 3.885 3.530 159 1HD PRO 23 1HD PRO 23 14.662 6.557 2.959 160 2HD PRO 23 2HD PRO 23 15.445 5.392 1.850 161 H TYR 24 H TYR 24 10.200 3.832 1.291 162 HA TYR 24 HA TYR 24 8.896 5.384 3.345 163 1HB TYR 24 1HB TYR 24 7.175 6.387 1.811 164 2HB TYR 24 2HB TYR 24 8.763 7.100 1.710 165 HD1 TYR 24 HD1 TYR 24 10.250 6.710 -0.244 166 HD2 TYR 24 HD2 TYR 24 6.150 5.397 -0.164 167 HE1 TYR 24 HE1 TYR 24 10.275 6.521 -2.707 168 HE2 TYR 24 HE2 TYR 24 6.129 5.388 -2.648 169 HH TYR 24 HH TYR 24 9.048 6.057 -4.598 170 H LEU 25 H LEU 25 6.395 4.910 3.171 171 HA LEU 25 HA LEU 25 5.768 2.231 2.210 172 1HB LEU 25 1HB LEU 25 7.066 1.773 4.237 173 2HB LEU 25 2HB LEU 25 6.030 2.818 5.193 174 HG LEU 25 HG LEU 25 4.471 0.760 3.759 175 1HD1 LEU 25 1HD1 LEU 25 6.558 -0.563 4.010 176 2HD1 LEU 25 2HD1 LEU 25 6.573 -0.200 5.747 177 3HD1 LEU 25 3HD1 LEU 25 5.265 -1.177 5.047 178 1HD2 LEU 25 1HD2 LEU 25 4.885 1.338 6.734 179 2HD2 LEU 25 2HD2 LEU 25 3.605 2.032 5.723 180 3HD2 LEU 25 3HD2 LEU 25 3.629 0.295 6.044 181 H MET 26 H MET 26 4.043 3.187 1.087 182 HA MET 26 HA MET 26 2.006 4.718 2.602 183 1HB MET 26 1HB MET 26 2.243 3.999 -0.346 184 2HB MET 26 2HB MET 26 0.872 4.851 0.389 185 1HG MET 26 1HG MET 26 2.469 6.547 1.296 186 2HG MET 26 2HG MET 26 3.752 5.819 0.317 187 1HE MET 26 1HE MET 26 3.952 6.100 -2.247 188 2HE MET 26 2HE MET 26 2.423 5.212 -2.474 189 3HE MET 26 3HE MET 26 2.687 6.763 -3.299 190 H VAL 27 H VAL 27 -0.047 3.998 2.996 191 HA VAL 27 HA VAL 27 -0.722 1.148 2.499 192 HB VAL 27 HB VAL 27 -0.500 2.442 5.251 193 1HG1 VAL 27 1HG1 VAL 27 -1.429 -0.336 4.411 194 2HG1 VAL 27 2HG1 VAL 27 -1.105 0.170 6.084 195 3HG1 VAL 27 3HG1 VAL 27 -2.405 0.935 5.179 196 1HG2 VAL 27 1HG2 VAL 27 1.107 0.174 4.006 197 2HG2 VAL 27 2HG2 VAL 27 1.715 1.789 4.439 198 3HG2 VAL 27 3HG2 VAL 27 1.175 0.692 5.699 199 H ASN 28 H ASN 28 -2.372 1.867 1.152 200 HA ASN 28 HA ASN 28 -4.831 2.598 2.541 201 1HB ASN 28 1HB ASN 28 -3.615 4.341 0.359 202 2HB ASN 28 2HB ASN 28 -5.340 4.374 0.749 203 1HD2 ASN 28 1HD2 ASN 28 -4.860 5.815 4.060 204 2HD2 ASN 28 2HD2 ASN 28 -5.671 4.452 3.330 205 H VAL 29 H VAL 29 -6.703 2.383 1.177 206 HA VAL 29 HA VAL 29 -6.409 0.284 -0.898 207 HB VAL 29 HB VAL 29 -8.745 -0.109 -0.612 208 1HG1 VAL 29 1HG1 VAL 29 -7.166 -1.117 1.055 209 2HG1 VAL 29 2HG1 VAL 29 -7.562 0.210 2.167 210 3HG1 VAL 29 3HG1 VAL 29 -8.820 -0.923 1.662 211 1HG2 VAL 29 1HG2 VAL 29 -8.775 2.342 1.201 212 2HG2 VAL 29 2HG2 VAL 29 -9.700 2.081 -0.291 213 3HG2 VAL 29 3HG2 VAL 29 -10.074 1.139 1.155 214 H THR 30 H THR 30 -7.475 0.499 -2.909 215 HA THR 30 HA THR 30 -7.920 3.254 -3.909 216 HB THR 30 1HB THR 30 -7.965 0.593 -5.403 217 HG1 THR 30 HG1 THR 30 -5.918 1.077 -4.561 218 1HG2 THR 30 1HG2 THR 30 -7.687 2.095 -7.377 219 2HG2 THR 30 2HG2 THR 30 -9.222 2.398 -6.541 220 H GLY 31 H GLY 31 -9.820 3.824 -2.874 221 1HA GLY 31 1HA GLY 31 -11.990 2.057 -2.346 222 2HA GLY 31 2HA GLY 31 -11.999 3.823 -2.240 223 H VAL 32 H VAL 32 -13.026 1.112 -4.044 224 HA VAL 32 HA VAL 32 -14.062 2.791 -6.284 225 HB VAL 32 HB VAL 32 -14.352 0.650 -7.473 226 1HG1 VAL 32 1HG1 VAL 32 -11.493 1.244 -6.632 227 2HG1 VAL 32 2HG1 VAL 32 -11.995 0.294 -8.046 228 3HG1 VAL 32 3HG1 VAL 32 -12.398 2.009 -7.956 229 1HG2 VAL 32 1HG2 VAL 32 -14.395 -0.880 -5.483 230 2HG2 VAL 32 2HG2 VAL 32 -13.271 -1.385 -6.749 231 3HG2 VAL 32 3HG2 VAL 32 -12.649 -0.609 -5.285 232 H ASP 33 H ASP 33 -16.192 2.003 -7.117 233 HA ASP 33 HA ASP 33 -18.122 1.373 -4.946 234 1HB ASP 33 1HB ASP 33 -18.457 2.107 -7.884 235 2HB ASP 33 2HB ASP 33 -19.791 1.740 -6.787 236 H SER 34 H SER 34 -19.905 -0.220 -5.914 237 HA SER 34 HA SER 34 -18.777 -2.818 -6.134 238 1HB SER 34 1HB SER 34 -21.029 -2.349 -5.249 239 2HB SER 34 2HB SER 34 -21.562 -1.808 -6.856 240 HG SER 34 HG SER 34 -20.575 -4.388 -6.194 241 H LYS 35 H LYS 35 -19.938 -0.475 -8.562 242 HA LYS 35 HA LYS 35 -19.599 -2.250 -10.839 243 1HB LYS 35 1HB LYS 35 -19.933 0.759 -10.709 244 2HB LYS 35 2HB LYS 35 -20.173 -0.264 -12.131 245 1HG LYS 35 1HG LYS 35 -21.893 -0.244 -9.599 246 2HG LYS 35 2HG LYS 35 -22.270 0.447 -11.171 247 1HD LYS 35 1HD LYS 35 -23.437 -1.464 -11.397 248 2HD LYS 35 2HD LYS 35 -21.897 -2.049 -12.038 249 1HE LYS 35 1HE LYS 35 -21.408 -3.079 -9.803 250 2HE LYS 35 2HE LYS 35 -22.906 -2.385 -9.164 251 1HZ LYS 35 1HZ LYS 35 -24.103 -3.706 -10.733 252 2HZ LYS 35 2HZ LYS 35 -22.704 -4.339 -11.337 253 3HZ LYS 35 3HZ LYS 35 -23.150 -4.656 -9.780 254 H GLY 36 H GLY 36 -17.266 -0.811 -8.891 255 1HA GLY 36 1HA GLY 36 -15.009 -0.751 -9.173 256 2HA GLY 36 2HA GLY 36 -15.193 -1.315 -10.836 257 H ASN 37 H ASN 37 -16.301 1.597 -9.024 258 HA ASN 37 HA ASN 37 -15.139 3.382 -11.140 259 1HB ASN 37 1HB ASN 37 -17.675 3.712 -9.499 260 2HB ASN 37 2HB ASN 37 -17.017 4.888 -10.644 261 1HD2 ASN 37 1HD2 ASN 37 -19.772 2.935 -12.289 262 2HD2 ASN 37 2HD2 ASN 37 -19.635 3.924 -10.850 263 H GLU 38 H GLU 38 -13.332 4.227 -10.269 264 HA GLU 38 HA GLU 38 -12.762 4.214 -7.519 265 1HB GLU 38 1HB GLU 38 -11.111 4.085 -9.338 266 2HB GLU 38 2HB GLU 38 -11.380 5.801 -9.706 267 1HG GLU 38 1HG GLU 38 -10.674 6.400 -7.400 268 2HG GLU 38 2HG GLU 38 -10.444 4.683 -7.021 269 H LEU 39 H LEU 39 -13.486 5.445 -5.949 270 HA LEU 39 HA LEU 39 -14.524 8.165 -6.324 271 1HB LEU 39 1HB LEU 39 -13.991 6.554 -3.787 272 2HB LEU 39 2HB LEU 39 -14.777 8.125 -3.906 273 HG LEU 39 HG LEU 39 -16.447 6.803 -5.535 274 1HD1 LEU 39 1HD1 LEU 39 -15.364 4.648 -3.645 275 2HD1 LEU 39 2HD1 LEU 39 -16.864 4.517 -4.571 276 3HD1 LEU 39 3HD1 LEU 39 -15.321 4.614 -5.420 277 1HD2 LEU 39 1HD2 LEU 39 -16.500 6.647 -2.491 278 2HD2 LEU 39 2HD2 LEU 39 -17.081 8.004 -3.483 279 3HD2 LEU 39 3HD2 LEU 39 -17.900 6.437 -3.566 280 H LEU 40 H LEU 40 -11.645 6.464 -5.068 281 HA LEU 40 HA LEU 40 -10.136 8.985 -4.746 282 1HB LEU 40 1HB LEU 40 -9.667 8.417 -2.386 283 2HB LEU 40 2HB LEU 40 -11.359 8.788 -2.698 284 HG LEU 40 HG LEU 40 -11.348 6.019 -3.020 285 1HD1 LEU 40 1HD1 LEU 40 -9.013 5.806 -2.225 286 2HD1 LEU 40 2HD1 LEU 40 -9.456 6.614 -0.711 287 3HD1 LEU 40 3HD1 LEU 40 -10.169 5.052 -1.115 288 1HD2 LEU 40 1HD2 LEU 40 -12.975 7.425 -1.779 289 2HD2 LEU 40 2HD2 LEU 40 -12.514 5.950 -0.927 290 3HD2 LEU 40 3HD2 LEU 40 -11.821 7.518 -0.435 291 H SER 41 H SER 41 -7.941 8.739 -4.364 292 HA SER 41 HA SER 41 -6.742 6.378 -5.598 293 1HB SER 41 1HB SER 41 -5.599 9.044 -4.660 294 2HB SER 41 2HB SER 41 -4.688 7.805 -5.541 295 HG SER 41 HG SER 41 -6.224 8.007 -7.230 296 HA PRO 42 HA PRO 42 -5.302 4.818 -1.621 297 1HB PRO 42 1HB PRO 42 -3.507 2.962 -2.379 298 2HB PRO 42 2HB PRO 42 -5.169 2.880 -2.999 299 1HG PRO 42 1HG PRO 42 -2.809 4.176 -4.395 300 2HG PRO 42 2HG PRO 42 -3.868 2.898 -5.047 301 1HD PRO 42 1HD PRO 42 -4.350 5.521 -5.555 302 2HD PRO 42 2HD PRO 42 -5.688 4.373 -5.270 303 H HIS 43 H HIS 43 -4.354 7.402 -1.958 304 HA HIS 43 HA HIS 43 -1.465 7.346 -1.229 305 1HB HIS 43 1HB HIS 43 -2.733 8.849 -3.567 306 2HB HIS 43 2HB HIS 43 -1.085 9.085 -2.993 307 HD1 HIS 43 HD1 HIS 43 -2.579 7.579 -5.787 308 HD2 HIS 43 HD2 HIS 43 0.134 6.255 -2.863 309 HE1 HIS 43 HE1 HIS 43 -1.301 5.614 -6.806 310 H TYR 44 H TYR 44 -1.916 8.160 0.852 311 HA TYR 44 HA TYR 44 -2.106 10.991 0.885 312 1HB TYR 44 1HB TYR 44 -4.020 11.301 2.364 313 2HB TYR 44 2HB TYR 44 -4.462 10.813 0.748 314 HD1 TYR 44 HD1 TYR 44 -5.181 8.390 0.300 315 HD2 TYR 44 HD2 TYR 44 -4.712 10.021 4.258 316 HE1 TYR 44 HE1 TYR 44 -6.996 6.924 1.116 317 HE2 TYR 44 HE2 TYR 44 -6.423 8.438 5.105 318 HH TYR 44 HH TYR 44 -8.329 6.362 2.906 319 H VAL 45 H VAL 45 -2.560 8.187 3.176 320 HA VAL 45 HA VAL 45 -0.653 9.513 5.020 321 HB VAL 45 HB VAL 45 -0.876 7.418 6.363 322 1HG1 VAL 45 1HG1 VAL 45 -2.048 9.495 6.932 323 2HG1 VAL 45 2HG1 VAL 45 -3.402 9.038 5.880 324 3HG1 VAL 45 3HG1 VAL 45 -3.033 8.075 7.322 325 1HG2 VAL 45 1HG2 VAL 45 -1.787 5.923 4.557 326 2HG2 VAL 45 2HG2 VAL 45 -2.772 5.961 6.030 327 3HG2 VAL 45 3HG2 VAL 45 -3.289 6.883 4.615 328 H GLU 46 H GLU 46 1.418 8.896 5.353 329 HA GLU 46 HA GLU 46 2.612 6.718 3.769 330 1HB GLU 46 1HB GLU 46 2.645 8.689 2.288 331 2HB GLU 46 2HB GLU 46 3.487 9.630 3.528 332 1HG GLU 46 1HG GLU 46 5.413 8.121 3.423 333 2HG GLU 46 2HG GLU 46 4.556 7.022 2.346 334 H PHE 47 H PHE 47 3.543 5.587 5.292 335 HA PHE 47 HA PHE 47 4.595 6.806 7.746 336 1HB PHE 47 1HB PHE 47 4.271 3.909 6.887 337 2HB PHE 47 2HB PHE 47 4.678 4.452 8.502 338 HD1 PHE 47 HD1 PHE 47 1.952 4.220 5.972 339 HD2 PHE 47 HD2 PHE 47 2.975 5.323 10.017 340 HE1 PHE 47 HE1 PHE 47 -0.450 4.400 6.535 341 HE2 PHE 47 HE2 PHE 47 0.564 5.415 10.591 342 HZ PHE 47 1HZ PHE 47 -1.151 4.959 8.850 343 HA PRO 48 HA PRO 48 8.877 5.968 6.400 344 1HB PRO 48 1HB PRO 48 10.168 5.743 8.780 345 2HB PRO 48 2HB PRO 48 9.509 7.304 8.210 346 1HG PRO 48 1HG PRO 48 8.196 5.343 10.112 347 2HG PRO 48 2HG PRO 48 8.436 7.098 10.351 348 1HD PRO 48 1HD PRO 48 6.096 6.071 9.419 349 2HD PRO 48 2HD PRO 48 6.729 7.617 8.784 350 H ILE 49 H ILE 49 10.151 4.124 6.068 351 HA ILE 49 HA ILE 49 8.867 1.610 6.481 352 HB ILE 49 HB ILE 49 10.216 2.104 4.500 353 1HG1 ILE 49 1HG1 ILE 49 11.508 0.044 4.334 354 2HG1 ILE 49 2HG1 ILE 49 11.425 -0.183 6.090 355 1HG2 ILE 49 1HG2 ILE 49 12.026 3.459 5.533 356 2HG2 ILE 49 2HG2 ILE 49 12.669 1.999 6.315 357 3HG2 ILE 49 3HG2 ILE 49 12.665 2.125 4.562 358 1HD1 ILE 49 1HD1 ILE 49 8.978 -0.061 4.296 359 2HD1 ILE 49 2HD1 ILE 49 9.810 -1.571 4.722 360 3HD1 ILE 49 3HD1 ILE 49 9.043 -0.605 5.986 361 H LYS 50 H LYS 50 9.217 0.019 7.954 362 HA LYS 50 HA LYS 50 11.573 0.075 9.714 363 1HB LYS 50 1HB LYS 50 8.710 0.025 10.733 364 2HB LYS 50 2HB LYS 50 10.116 -0.521 11.664 365 1HG LYS 50 1HG LYS 50 11.163 1.731 11.366 366 2HG LYS 50 2HG LYS 50 9.669 2.288 10.579 367 1HD LYS 50 1HD LYS 50 8.386 1.866 12.613 368 2HD LYS 50 2HD LYS 50 9.792 1.112 13.387 369 1HE LYS 50 1HE LYS 50 9.509 3.380 14.225 370 2HE LYS 50 2HE LYS 50 11.020 3.254 13.309 371 1HZ LYS 50 1HZ LYS 50 8.493 4.357 12.300 372 2HZ LYS 50 2HZ LYS 50 9.805 5.231 12.783 373 3HZ LYS 50 3HZ LYS 50 9.907 4.260 11.457 374 HA PRO 51 HA PRO 51 10.835 -4.094 8.052 375 1HB PRO 51 1HB PRO 51 13.305 -5.164 8.378 376 2HB PRO 51 2HB PRO 51 13.030 -3.812 7.244 377 1HG PRO 51 1HG PRO 51 13.973 -3.618 10.123 378 2HG PRO 51 2HG PRO 51 14.785 -2.949 8.681 379 1HD PRO 51 1HD PRO 51 13.114 -1.451 10.199 380 2HD PRO 51 2HD PRO 51 13.119 -1.275 8.415 381 H GLY 52 H GLY 52 11.413 -6.422 8.963 382 1HA GLY 52 1HA GLY 52 11.669 -7.886 10.756 383 2HA GLY 52 2HA GLY 52 11.394 -6.591 11.921 384 H THR 53 H THR 53 8.919 -5.705 10.311 385 HA THR 53 HA THR 53 7.005 -7.194 11.793 386 HB THR 53 HB THR 53 6.729 -4.844 11.186 387 HG1 THR 53 HG1 THR 53 4.738 -6.529 10.087 388 1HG2 THR 53 1HG2 THR 53 6.048 -4.133 8.965 389 2HG2 THR 53 2HG2 THR 53 7.642 -4.894 8.846 390 H THR 54 H THR 54 5.567 -8.781 11.210 391 HA THR 54 HA THR 54 6.165 -10.487 8.942 392 HB THR 54 HB THR 54 3.836 -10.507 10.909 393 HG1 THR 54 HG1 THR 54 6.312 -11.890 10.888 394 1HG2 THR 54 1HG2 THR 54 4.936 -12.666 9.057 395 2HG2 THR 54 2HG2 THR 54 3.677 -12.908 10.285 396 H LEU 55 H LEU 55 5.028 -10.637 7.025 397 HA LEU 55 HA LEU 55 2.945 -8.584 6.471 398 1HB LEU 55 1HB LEU 55 5.491 -8.133 5.828 399 2HB LEU 55 2HB LEU 55 5.132 -9.214 4.494 400 HG LEU 55 HG LEU 55 4.862 -7.007 3.717 401 1HD1 LEU 55 1HD1 LEU 55 3.029 -8.590 3.054 402 2HD1 LEU 55 2HD1 LEU 55 2.003 -7.856 4.313 403 3HD1 LEU 55 3HD1 LEU 55 2.591 -6.876 2.964 404 1HD2 LEU 55 1HD2 LEU 55 4.720 -5.857 5.894 405 2HD2 LEU 55 2HD2 LEU 55 3.496 -5.280 4.751 406 3HD2 LEU 55 3HD2 LEU 55 3.029 -6.369 6.068 407 H THR 56 H THR 56 1.196 -9.542 5.778 408 HA THR 56 HA THR 56 1.056 -11.456 3.665 409 HB THR 56 HB THR 56 1.744 -13.072 5.299 410 HG1 THR 56 HG1 THR 56 -0.085 -14.376 5.397 411 1HG2 THR 56 1HG2 THR 56 1.272 -11.890 7.410 412 2HG2 THR 56 2HG2 THR 56 -0.474 -12.023 7.107 413 H LYS 57 H LYS 57 -1.400 -12.270 3.629 414 HA LYS 57 HA LYS 57 -2.917 -9.964 3.194 415 1HB LYS 57 1HB LYS 57 -3.215 -12.098 2.064 416 2HB LYS 57 2HB LYS 57 -3.880 -12.839 3.523 417 1HG LYS 57 1HG LYS 57 -5.136 -10.321 2.362 418 2HG LYS 57 2HG LYS 57 -5.412 -11.885 1.589 419 1HD LYS 57 1HD LYS 57 -6.311 -12.825 3.673 420 2HD LYS 57 2HD LYS 57 -6.101 -11.267 4.494 421 1HE LYS 57 1HE LYS 57 -7.631 -10.183 2.919 422 2HE LYS 57 2HE LYS 57 -7.811 -11.701 2.014 423 1HZ LYS 57 1HZ LYS 57 -8.579 -11.292 4.813 424 2HZ LYS 57 2HZ LYS 57 -9.609 -11.345 3.528 425 3HZ LYS 57 3HZ LYS 57 -8.756 -12.689 3.956 426 H GLU 58 H GLU 58 -3.220 -12.340 5.909 427 HA GLU 58 HA GLU 58 -5.315 -10.915 7.172 428 1HB GLU 58 1HB GLU 58 -5.008 -12.408 9.055 429 2HB GLU 58 2HB GLU 58 -5.027 -13.228 7.503 430 1HG GLU 58 1HG GLU 58 -3.395 -14.345 8.709 431 2HG GLU 58 2HG GLU 58 -2.488 -13.344 7.580 432 H LYS 59 H LYS 59 -1.794 -10.500 7.456 433 HA LYS 59 HA LYS 59 -1.854 -8.815 9.784 434 1HB LYS 59 1HB LYS 59 0.108 -9.261 7.519 435 2HB LYS 59 2HB LYS 59 0.388 -7.985 8.704 436 1HG LYS 59 1HG LYS 59 -0.128 -10.858 9.500 437 2HG LYS 59 2HG LYS 59 1.492 -10.243 9.164 438 1HD LYS 59 1HD LYS 59 1.670 -9.181 11.137 439 2HD LYS 59 2HD LYS 59 0.069 -8.463 11.005 440 1HE LYS 59 1HE LYS 59 0.176 -9.898 12.969 441 2HE LYS 59 2HE LYS 59 -0.973 -10.561 11.797 442 1HZ LYS 59 1HZ LYS 59 1.797 -11.462 12.191 443 2HZ LYS 59 2HZ LYS 59 0.439 -12.241 12.714 444 3HZ LYS 59 3HZ LYS 59 0.732 -12.089 11.099 445 H ILE 60 H ILE 60 -1.583 -8.079 6.288 446 HA ILE 60 HA ILE 60 -1.664 -5.284 6.698 447 HB ILE 60 HB ILE 60 -0.709 -6.874 4.793 448 1HG1 ILE 60 1HG1 ILE 60 0.062 -4.673 5.113 449 2HG1 ILE 60 2HG1 ILE 60 -0.276 -4.981 3.368 450 1HG2 ILE 60 1HG2 ILE 60 -2.877 -7.524 3.865 451 2HG2 ILE 60 2HG2 ILE 60 -3.217 -5.838 3.427 452 3HG2 ILE 60 3HG2 ILE 60 -1.853 -6.693 2.687 453 1HD1 ILE 60 1HD1 ILE 60 -2.413 -3.688 3.628 454 2HD1 ILE 60 2HD1 ILE 60 -1.929 -3.281 5.298 455 3HD1 ILE 60 3HD1 ILE 60 -0.950 -2.741 3.937 456 H GLU 61 H GLU 61 -4.229 -7.635 6.309 457 HA GLU 61 HA GLU 61 -6.255 -6.079 5.163 458 1HB GLU 61 1HB GLU 61 -6.461 -8.465 5.379 459 2HB GLU 61 2HB GLU 61 -6.384 -8.377 7.152 460 1HG GLU 61 1HG GLU 61 -8.555 -7.219 7.201 461 2HG GLU 61 2HG GLU 61 -8.557 -7.107 5.431 462 H TYR 62 H TYR 62 -5.707 -6.678 8.720 463 HA TYR 62 HA TYR 62 -7.676 -4.734 9.461 464 1HB TYR 62 1HB TYR 62 -6.859 -4.981 11.710 465 2HB TYR 62 2HB TYR 62 -7.118 -6.529 10.931 466 HD1 TYR 62 HD1 TYR 62 -4.450 -4.079 11.938 467 HD2 TYR 62 HD2 TYR 62 -5.425 -8.172 11.002 468 HE1 TYR 62 HE1 TYR 62 -2.220 -4.788 12.725 469 HE2 TYR 62 HE2 TYR 62 -3.217 -8.889 11.862 470 HH TYR 62 HH TYR 62 -0.817 -6.556 13.153 471 H TYR 63 H TYR 63 -4.153 -4.531 8.919 472 HA TYR 63 HA TYR 63 -3.741 -2.068 10.172 473 1HB TYR 63 1HB TYR 63 -1.951 -3.610 9.628 474 2HB TYR 63 2HB TYR 63 -2.279 -3.429 7.905 475 HD1 TYR 63 HD1 TYR 63 -2.139 -0.482 10.237 476 HD2 TYR 63 HD2 TYR 63 0.019 -2.903 7.385 477 HE1 TYR 63 HE1 TYR 63 -0.466 1.305 9.984 478 HE2 TYR 63 HE2 TYR 63 1.763 -1.157 7.241 479 HH TYR 63 HH TYR 63 1.475 1.988 8.951 480 H VAL 64 H VAL 64 -4.419 -2.734 6.667 481 HA VAL 64 HA VAL 64 -4.236 0.003 5.939 482 HB VAL 64 HB VAL 64 -3.985 -1.994 4.426 483 1HG1 VAL 64 1HG1 VAL 64 -6.126 -3.150 5.001 484 2HG1 VAL 64 2HG1 VAL 64 -7.023 -1.843 4.200 485 3HG1 VAL 64 3HG1 VAL 64 -5.922 -2.870 3.268 486 1HG2 VAL 64 1HG2 VAL 64 -5.746 0.316 3.542 487 2HG2 VAL 64 2HG2 VAL 64 -3.977 0.261 3.556 488 3HG2 VAL 64 3HG2 VAL 64 -4.876 -0.787 2.453 489 H GLU 65 H GLU 65 -6.969 -1.973 7.039 490 HA GLU 65 HA GLU 65 -9.036 -0.071 6.532 491 1HB GLU 65 1HB GLU 65 -8.785 -2.329 8.552 492 2HB GLU 65 2HB GLU 65 -10.268 -1.407 8.282 493 1HG GLU 65 1HG GLU 65 -8.825 -2.955 6.077 494 2HG GLU 65 2HG GLU 65 -10.145 -3.607 7.053 495 H TRP 66 H TRP 66 -6.758 -0.495 9.272 496 HA TRP 66 HA TRP 66 -8.016 1.564 10.906 497 1HB TRP 66 1HB TRP 66 -5.222 0.427 11.060 498 2HB TRP 66 2HB TRP 66 -6.070 1.339 12.305 499 HD1 TRP 66 HD1 TRP 66 -4.786 -1.348 12.956 500 HE1 TRP 66 HE1 TRP 66 -6.109 -3.369 13.738 501 HE3 TRP 66 HE3 TRP 66 -9.452 -0.071 11.134 502 HZ2 TRP 66 HZ2 TRP 66 -8.810 -4.358 13.567 503 HZ3 TRP 66 HZ3 TRP 66 -11.329 -1.610 11.421 504 HH2 TRP 66 HH2 TRP 66 -11.041 -3.755 12.635 505 H ALA 67 H ALA 67 -5.350 1.443 8.534 506 HA ALA 67 HA ALA 67 -4.234 3.974 9.064 507 1HB ALA 67 1HB ALA 67 -3.121 2.194 7.768 508 2HB ALA 67 2HB ALA 67 -4.292 2.419 6.449 509 3HB ALA 67 3HB ALA 67 -3.171 3.725 6.875 510 H LEU 68 H LEU 68 -6.835 3.001 6.764 511 HA LEU 68 HA LEU 68 -7.140 5.678 5.749 512 1HB LEU 68 1HB LEU 68 -8.988 4.822 4.461 513 2HB LEU 68 2HB LEU 68 -7.580 3.768 4.371 514 HG LEU 68 HG LEU 68 -8.889 2.466 6.309 515 1HD1 LEU 68 1HD1 LEU 68 -10.801 4.219 6.286 516 2HD1 LEU 68 2HD1 LEU 68 -11.157 3.665 4.661 517 3HD1 LEU 68 3HD1 LEU 68 -11.293 2.538 6.027 518 1HD2 LEU 68 1HD2 LEU 68 -9.643 2.348 3.366 519 2HD2 LEU 68 2HD2 LEU 68 -8.258 1.522 4.112 520 3HD2 LEU 68 3HD2 LEU 68 -9.912 1.057 4.549 521 H ASP 69 H ASP 69 -8.861 3.739 8.235 522 HA ASP 69 HA ASP 69 -10.842 5.812 8.709 523 1HB ASP 69 1HB ASP 69 -10.122 3.265 10.205 524 2HB ASP 69 2HB ASP 69 -11.431 4.348 10.678 525 H ALA 70 H ALA 70 -7.568 5.743 9.521 526 HA ALA 70 HA ALA 70 -7.543 6.800 12.143 527 1HB ALA 70 1HB ALA 70 -5.526 6.072 10.907 528 2HB ALA 70 2HB ALA 70 -5.722 7.437 9.784 529 3HB ALA 70 3HB ALA 70 -5.367 7.738 11.496 530 H THR 71 H THR 71 -8.010 8.314 8.950 531 HA THR 71 HA THR 71 -8.652 10.935 10.194 532 HB THR 71 HB THR 71 -6.860 10.951 8.564 533 HG1 THR 71 HG1 THR 71 -9.255 12.138 7.642 534 1HG2 THR 71 1HG2 THR 71 -7.487 9.059 7.111 535 2HG2 THR 71 2HG2 THR 71 -8.893 9.958 6.507 536 H ALA 72 H ALA 72 -9.973 8.384 8.033 537 HA ALA 72 HA ALA 72 -12.318 9.956 7.402 538 1HB ALA 72 1HB ALA 72 -11.581 7.082 6.745 539 2HB ALA 72 2HB ALA 72 -12.999 7.953 6.129 540 3HB ALA 72 3HB ALA 72 -11.366 8.522 5.733 541 H TYR 73 H TYR 73 -12.936 6.612 8.168 542 HA TYR 73 HA TYR 73 -14.099 5.522 9.688 543 1HB TYR 73 1HB TYR 73 -12.710 6.652 11.378 544 2HB TYR 73 2HB TYR 73 -13.906 7.935 11.520 545 HD1 TYR 73 HD1 TYR 73 -13.588 4.195 11.786 546 HD2 TYR 73 HD2 TYR 73 -15.611 7.764 13.124 547 HE1 TYR 73 HE1 TYR 73 -14.733 2.888 13.550 548 HE2 TYR 73 HE2 TYR 73 -16.741 6.457 14.894 549 HH TYR 73 HH TYR 73 -16.992 4.397 15.889 550 H LYS 74 H LYS 74 -15.286 8.851 9.240 551 HA LYS 74 HA LYS 74 -17.799 8.616 10.313 552 1HB LYS 74 1HB LYS 74 -16.710 10.341 8.069 553 2HB LYS 74 2HB LYS 74 -18.352 10.535 8.705 554 1HG LYS 74 1HG LYS 74 -17.580 10.971 10.920 555 2HG LYS 74 2HG LYS 74 -15.899 10.610 10.520 556 1HD LYS 74 1HD LYS 74 -17.237 12.761 8.897 557 2HD LYS 74 2HD LYS 74 -16.938 13.114 10.603 558 1HE LYS 74 1HE LYS 74 -15.075 13.891 9.214 559 2HE LYS 74 2HE LYS 74 -14.556 12.653 10.370 560 1HZ LYS 74 1HZ LYS 74 -15.151 12.192 7.537 561 2HZ LYS 74 2HZ LYS 74 -13.643 12.315 8.194 562 3HZ LYS 74 3HZ LYS 74 -14.625 11.058 8.610 563 H GLU 75 H GLU 75 -17.259 8.503 6.725 564 HA GLU 75 HA GLU 75 -19.867 7.069 6.496 565 1HB GLU 75 1HB GLU 75 -18.340 8.700 4.450 566 2HB GLU 75 2HB GLU 75 -19.936 7.951 4.243 567 1HG GLU 75 1HG GLU 75 -20.849 9.359 6.048 568 2HG GLU 75 2HG GLU 75 -19.277 10.159 6.225 569 H PHE 76 H PHE 76 -17.139 5.766 7.065 570 HA PHE 76 HA PHE 76 -16.625 4.306 4.556 571 1HB PHE 76 1HB PHE 76 -14.748 5.183 5.849 572 2HB PHE 76 2HB PHE 76 -15.264 4.263 7.263 573 HD1 PHE 76 HD1 PHE 76 -14.012 3.951 3.752 574 HD2 PHE 76 HD2 PHE 76 -14.769 1.900 7.467 575 HE1 PHE 76 HE1 PHE 76 -12.815 1.942 2.900 576 HE2 PHE 76 HE2 PHE 76 -13.648 -0.118 6.582 577 HZ PHE 76 1HZ PHE 76 -12.643 -0.086 4.297 578 H ARG 77 H ARG 77 -17.129 2.263 4.156 579 HA ARG 77 HA ARG 77 -17.563 0.271 6.168 580 1HB ARG 77 1HB ARG 77 -19.782 1.274 6.319 581 2HB ARG 77 2HB ARG 77 -19.979 1.202 4.566 582 1HG ARG 77 1HG ARG 77 -19.847 -1.307 4.687 583 2HG ARG 77 2HG ARG 77 -19.723 -1.188 6.451 584 1HD ARG 77 1HD ARG 77 -22.025 -0.147 4.738 585 2HD ARG 77 2HD ARG 77 -22.022 -1.694 5.605 586 HE ARG 77 HE ARG 77 -21.431 0.226 7.531 587 1HH1 ARG 77 1HH1 ARG 77 -24.148 -0.455 5.335 588 2HH1 ARG 77 2HH1 ARG 77 -25.339 0.223 6.419 589 1HH2 ARG 77 1HH2 ARG 77 -23.014 1.102 8.921 590 2HH2 ARG 77 2HH2 ARG 77 -24.698 1.102 8.453 591 H VAL 78 H VAL 78 -16.231 -1.163 5.189 592 HA VAL 78 HA VAL 78 -16.234 -1.594 2.307 593 HB VAL 78 HB VAL 78 -14.197 -1.763 3.685 594 1HG1 VAL 78 1HG1 VAL 78 -15.119 -2.851 5.720 595 2HG1 VAL 78 2HG1 VAL 78 -15.396 -4.342 4.793 596 3HG1 VAL 78 3HG1 VAL 78 -13.751 -3.749 5.046 597 1HG2 VAL 78 1HG2 VAL 78 -14.387 -2.890 1.485 598 2HG2 VAL 78 2HG2 VAL 78 -13.268 -3.701 2.593 599 3HG2 VAL 78 3HG2 VAL 78 -14.877 -4.388 2.311 600 H VAL 79 H VAL 79 -16.990 -3.474 1.255 601 HA VAL 79 HA VAL 79 -18.734 -5.328 2.807 602 HB VAL 79 HB VAL 79 -20.106 -3.751 1.511 603 1HG1 VAL 79 1HG1 VAL 79 -18.569 -3.361 -0.414 604 2HG1 VAL 79 2HG1 VAL 79 -18.910 -5.000 -1.006 605 3HG1 VAL 79 3HG1 VAL 79 -20.208 -3.814 -0.914 606 1HG2 VAL 79 1HG2 VAL 79 -20.889 -6.044 1.998 607 2HG2 VAL 79 2HG2 VAL 79 -21.533 -5.437 0.463 608 3HG2 VAL 79 3HG2 VAL 79 -20.202 -6.610 0.461 609 H GLU 80 H GLU 80 -16.708 -4.827 -0.089 610 HA GLU 80 HA GLU 80 -15.752 -7.648 0.112 611 1HB GLU 80 1HB GLU 80 -16.438 -6.068 -2.402 612 2HB GLU 80 2HB GLU 80 -15.532 -7.587 -2.383 613 1HG GLU 80 1HG GLU 80 -17.436 -8.775 -1.405 614 2HG GLU 80 2HG GLU 80 -18.377 -7.279 -1.332 615 H LEU 81 H LEU 81 -13.582 -7.921 -0.455 616 HA LEU 81 HA LEU 81 -11.939 -5.549 -1.014 617 1HB LEU 81 1HB LEU 81 -10.402 -5.993 0.832 618 2HB LEU 81 2HB LEU 81 -12.025 -5.607 1.390 619 HG LEU 81 HG LEU 81 -12.212 -8.340 1.367 620 1HD1 LEU 81 1HD1 LEU 81 -9.810 -8.631 0.679 621 2HD1 LEU 81 2HD1 LEU 81 -9.315 -7.736 2.126 622 3HD1 LEU 81 3HD1 LEU 81 -10.147 -9.293 2.284 623 1HD2 LEU 81 1HD2 LEU 81 -12.766 -6.837 3.236 624 2HD2 LEU 81 2HD2 LEU 81 -11.824 -8.232 3.781 625 3HD2 LEU 81 3HD2 LEU 81 -11.037 -6.648 3.606 626 H ASP 82 H ASP 82 -10.062 -5.976 -2.096 627 HA ASP 82 HA ASP 82 -10.038 -8.369 -3.652 628 1HB ASP 82 1HB ASP 82 -9.371 -6.329 -4.655 629 2HB ASP 82 2HB ASP 82 -8.169 -6.005 -3.395 630 HA PRO 83 HA PRO 83 -7.529 -10.507 -0.476 631 1HB PRO 83 1HB PRO 83 -7.413 -12.986 -1.578 632 2HB PRO 83 2HB PRO 83 -8.917 -12.331 -0.869 633 1HG PRO 83 1HG PRO 83 -8.115 -12.336 -3.791 634 2HG PRO 83 2HG PRO 83 -9.658 -12.894 -3.080 635 1HD PRO 83 1HD PRO 83 -9.362 -10.412 -4.138 636 2HD PRO 83 2HD PRO 83 -10.375 -10.677 -2.689 637 H SER 84 H SER 84 -6.864 -10.272 -3.954 638 HA SER 84 HA SER 84 -4.036 -11.017 -3.684 639 1HB SER 84 1HB SER 84 -5.675 -10.082 -6.074 640 2HB SER 84 2HB SER 84 -4.011 -10.700 -6.115 641 HG SER 84 HG SER 84 -6.314 -12.105 -5.245 642 H ALA 85 H ALA 85 -4.247 -9.009 -1.980 643 HA ALA 85 HA ALA 85 -3.734 -6.387 -3.044 644 1HB ALA 85 1HB ALA 85 -4.359 -6.798 -0.689 645 2HB ALA 85 2HB ALA 85 -2.839 -7.678 -0.430 646 3HB ALA 85 3HB ALA 85 -2.806 -5.946 -0.807 647 H LYS 86 H LYS 86 -1.464 -5.354 -2.770 648 HA LYS 86 HA LYS 86 0.739 -7.184 -3.417 649 1HB LYS 86 1HB LYS 86 1.108 -6.237 -5.643 650 2HB LYS 86 2HB LYS 86 -0.424 -7.114 -5.533 651 1HG LYS 86 1HG LYS 86 -1.604 -4.891 -5.195 652 2HG LYS 86 2HG LYS 86 -0.064 -4.086 -5.527 653 1HD LYS 86 1HD LYS 86 -1.640 -5.905 -7.401 654 2HD LYS 86 2HD LYS 86 -1.476 -4.145 -7.504 655 1HE LYS 86 1HE LYS 86 1.033 -4.494 -7.770 656 2HE LYS 86 2HE LYS 86 0.704 -6.229 -7.929 657 1HZ LYS 86 1HZ LYS 86 -0.379 -4.118 -9.648 658 2HZ LYS 86 2HZ LYS 86 0.841 -5.156 -10.038 659 3HZ LYS 86 3HZ LYS 86 -0.685 -5.732 -9.795 660 H ILE 87 H ILE 87 2.686 -6.404 -3.233 661 HA ILE 87 HA ILE 87 3.147 -3.778 -1.988 662 HB ILE 87 HB ILE 87 4.897 -6.205 -2.589 663 1HG1 ILE 87 1HG1 ILE 87 5.151 -6.350 -0.149 664 2HG1 ILE 87 2HG1 ILE 87 3.963 -5.014 0.035 665 1HG2 ILE 87 1HG2 ILE 87 5.646 -3.570 -1.263 666 2HG2 ILE 87 2HG2 ILE 87 6.657 -5.033 -1.291 667 3HG2 ILE 87 3HG2 ILE 87 6.286 -4.205 -2.796 668 1HD1 ILE 87 1HD1 ILE 87 3.338 -7.700 -1.266 669 2HD1 ILE 87 2HD1 ILE 87 3.116 -7.370 0.462 670 3HD1 ILE 87 3HD1 ILE 87 2.175 -6.464 -0.717 671 H GLU 88 H GLU 88 3.248 -2.128 -3.418 672 HA GLU 88 HA GLU 88 4.560 -2.469 -6.085 673 1HB GLU 88 1HB GLU 88 2.671 -0.384 -4.940 674 2HB GLU 88 2HB GLU 88 3.515 -0.178 -6.477 675 1HG GLU 88 1HG GLU 88 1.768 -2.609 -5.952 676 2HG GLU 88 2HG GLU 88 1.085 -1.067 -6.472 677 H VAL 89 H VAL 89 6.538 -2.754 -4.695 678 HA VAL 89 HA VAL 89 7.520 -0.503 -3.237 679 HB VAL 89 HB VAL 89 8.124 -2.693 -2.596 680 1HG1 VAL 89 1HG1 VAL 89 8.291 -3.812 -4.824 681 2HG1 VAL 89 2HG1 VAL 89 9.850 -2.993 -5.080 682 3HG1 VAL 89 3HG1 VAL 89 9.653 -4.131 -3.746 683 1HG2 VAL 89 1HG2 VAL 89 9.595 -0.834 -2.016 684 2HG2 VAL 89 2HG2 VAL 89 10.507 -2.339 -2.221 685 3HG2 VAL 89 3HG2 VAL 89 10.551 -1.100 -3.490 686 H THR 90 H THR 90 7.694 1.347 -4.289 687 HA THR 90 HA THR 90 8.800 1.479 -7.025 688 HB THR 90 1HB THR 90 7.322 3.503 -5.299 689 HG1 THR 90 HG1 THR 90 6.070 1.746 -6.012 690 1HG2 THR 90 1HG2 THR 90 8.185 3.604 -8.229 691 2HG2 THR 90 2HG2 THR 90 7.074 4.749 -7.451 692 H TYR 91 H TYR 91 10.829 2.131 -7.357 693 HA TYR 91 HA TYR 91 12.232 3.860 -5.388 694 1HB TYR 91 1HB TYR 91 14.236 2.373 -5.682 695 2HB TYR 91 2HB TYR 91 12.923 1.709 -4.725 696 HD1 TYR 91 HD1 TYR 91 14.786 1.403 -7.914 697 HD2 TYR 91 HD2 TYR 91 11.632 -0.208 -5.458 698 HE1 TYR 91 HE1 TYR 91 14.831 -0.694 -9.228 699 HE2 TYR 91 HE2 TYR 91 11.666 -2.301 -6.785 700 HH TYR 91 HH TYR 91 13.942 -2.797 -9.507 701 H TYR 92 H TYR 92 13.363 5.410 -6.320 702 HA TYR 92 HA TYR 92 13.654 5.507 -9.281 703 1HB TYR 92 1HB TYR 92 13.886 7.700 -7.187 704 2HB TYR 92 2HB TYR 92 13.888 7.898 -8.941 705 HD1 TYR 92 HD1 TYR 92 11.787 7.224 -10.239 706 HD2 TYR 92 HD2 TYR 92 11.839 7.639 -5.952 707 HE1 TYR 92 HE1 TYR 92 9.303 7.180 -10.201 708 HE2 TYR 92 HE2 TYR 92 9.365 7.713 -5.928 709 HH TYR 92 HH TYR 92 7.434 7.571 -7.170 710 H ASP 93 H ASP 93 15.379 3.730 -8.525 711 HA ASP 93 HA ASP 93 17.831 4.828 -7.400 712 1HB ASP 93 1HB ASP 93 17.038 2.553 -6.897 713 2HB ASP 93 2HB ASP 93 17.227 2.095 -8.593 714 H LYS 94 H LYS 94 18.210 6.519 -8.979 715 HA LYS 94 HA LYS 94 18.994 5.769 -11.723 716 1HB LYS 94 1HB LYS 94 19.051 8.370 -10.162 717 2HB LYS 94 2HB LYS 94 19.554 8.229 -11.840 718 1HG LYS 94 1HG LYS 94 16.761 7.579 -10.778 719 2HG LYS 94 2HG LYS 94 17.234 9.105 -11.519 720 1HD LYS 94 1HD LYS 94 17.224 6.398 -12.931 721 2HD LYS 94 2HD LYS 94 16.010 7.670 -13.074 722 1HE LYS 94 1HE LYS 94 17.753 9.226 -13.962 723 2HE LYS 94 2HE LYS 94 18.925 7.890 -13.946 724 1HZ LYS 94 1HZ LYS 94 16.423 7.935 -15.458 725 2HZ LYS 94 2HZ LYS 94 17.935 8.173 -16.068 726 3HZ LYS 94 3HZ LYS 94 17.522 6.706 -15.438 727 H ASN 95 H ASN 95 20.431 4.147 -10.649 728 HA ASN 95 HA ASN 95 23.194 5.188 -10.417 729 1HB ASN 95 1HB ASN 95 21.888 3.282 -8.419 730 2HB ASN 95 2HB ASN 95 23.601 3.702 -8.489 731 1HD2 ASN 95 1HD2 ASN 95 20.880 6.289 -6.795 732 2HD2 ASN 95 2HD2 ASN 95 20.351 4.874 -7.680 733 H LYS 96 H LYS 96 21.015 2.318 -10.497 734 HA LYS 96 HA LYS 96 22.481 1.153 -12.711 735 1HB LYS 96 1HB LYS 96 22.948 -0.989 -11.363 736 2HB LYS 96 2HB LYS 96 24.045 0.384 -11.222 737 1HG LYS 96 1HG LYS 96 23.030 1.039 -9.075 738 2HG LYS 96 2HG LYS 96 21.913 -0.338 -9.165 739 1HD LYS 96 1HD LYS 96 23.747 -1.910 -9.034 740 2HD LYS 96 2HD LYS 96 24.949 -0.623 -9.278 741 1HE LYS 96 1HE LYS 96 24.328 0.414 -7.135 742 2HE LYS 96 2HE LYS 96 23.113 -0.848 -6.866 743 1HZ LYS 96 1HZ LYS 96 25.997 -1.290 -7.135 744 2HZ LYS 96 2HZ LYS 96 25.147 -1.308 -5.724 745 3HZ LYS 96 3HZ LYS 96 24.865 -2.457 -6.870 746 H LYS 97 H LYS 97 20.129 0.321 -10.065 747 HA LYS 97 HA LYS 97 18.935 -1.654 -11.753 748 1HB LYS 97 1HB LYS 97 19.094 -1.622 -9.193 749 2HB LYS 97 2HB LYS 97 17.655 -0.581 -9.236 750 1HG LYS 97 1HG LYS 97 16.438 -2.343 -10.496 751 2HG LYS 97 2HG LYS 97 17.910 -3.330 -10.555 752 1HD LYS 97 1HD LYS 97 17.866 -3.458 -8.055 753 2HD LYS 97 2HD LYS 97 16.319 -2.576 -8.078 754 1HE LYS 97 1HE LYS 97 15.376 -4.391 -9.550 755 2HE LYS 97 2HE LYS 97 16.899 -5.279 -9.366 756 1HZ LYS 97 1HZ LYS 97 15.103 -4.504 -7.179 757 2HZ LYS 97 2HZ LYS 97 15.231 -6.011 -7.836 758 3HZ LYS 97 3HZ LYS 97 16.506 -5.357 -7.023 759 H LYS 98 H LYS 98 18.313 1.757 -11.363 760 HA LYS 98 HA LYS 98 17.094 3.170 -12.559 761 1HB LYS 98 1HB LYS 98 17.604 1.636 -14.450 762 2HB LYS 98 2HB LYS 98 16.037 0.840 -14.215 763 1HG LYS 98 1HG LYS 98 14.834 2.843 -14.777 764 2HG LYS 98 2HG LYS 98 16.331 3.809 -14.787 765 1HD LYS 98 1HD LYS 98 17.137 2.511 -16.722 766 2HD LYS 98 2HD LYS 98 15.695 1.473 -16.644 767 1HE LYS 98 1HE LYS 98 14.249 3.452 -17.057 768 2HE LYS 98 2HE LYS 98 15.691 4.482 -17.156 769 1HZ LYS 98 1HZ LYS 98 15.066 2.228 -18.926 770 2HZ LYS 98 2HZ LYS 98 14.905 3.827 -19.300 771 3HZ LYS 98 3HZ LYS 98 16.403 3.189 -19.028 772 H GLU 99 H GLU 99 14.865 3.927 -12.989 773 HA GLU 99 HA GLU 99 13.069 3.611 -10.863 774 1HB GLU 99 1HB GLU 99 13.180 5.563 -12.276 775 2HB GLU 99 2HB GLU 99 12.630 4.637 -13.686 776 1HG GLU 99 1HG GLU 99 10.468 4.178 -12.565 777 2HG GLU 99 2HG GLU 99 11.018 5.041 -11.123 778 H GLU 100 H GLU 100 12.184 1.662 -10.363 779 HA GLU 100 HA GLU 100 10.469 0.311 -12.353 780 1HB GLU 100 1HB GLU 100 12.643 -1.082 -10.740 781 2HB GLU 100 2HB GLU 100 11.361 -1.910 -11.636 782 1HG GLU 100 1HG GLU 100 12.207 -0.869 -13.743 783 2HG GLU 100 2HG GLU 100 13.563 -0.176 -12.832 784 H THR 101 H THR 101 8.734 -0.707 -11.459 785 HA THR 101 HA THR 101 8.334 -0.558 -8.499 786 HB THR 101 HB THR 101 6.297 -0.138 -10.722 787 HG1 THR 101 HG1 THR 101 7.366 1.600 -8.755 788 1HG2 THR 101 1HG2 THR 101 6.024 -0.133 -7.677 789 2HG2 THR 101 2HG2 THR 101 4.776 0.420 -8.815 790 H LYS 102 H LYS 102 9.000 -2.644 -8.068 791 HA LYS 102 HA LYS 102 8.199 -4.931 -9.632 792 1HB LYS 102 1HB LYS 102 9.339 -4.617 -6.834 793 2HB LYS 102 2HB LYS 102 9.055 -6.184 -7.592 794 1HG LYS 102 1HG LYS 102 10.806 -4.040 -8.874 795 2HG LYS 102 2HG LYS 102 11.427 -5.223 -7.715 796 1HD LYS 102 1HD LYS 102 10.703 -7.083 -9.133 797 2HD LYS 102 2HD LYS 102 10.061 -5.961 -10.344 798 1HE LYS 102 1HE LYS 102 12.979 -6.053 -9.467 799 2HE LYS 102 2HE LYS 102 12.319 -6.876 -10.892 800 1HZ LYS 102 1HZ LYS 102 11.645 -4.758 -11.745 801 2HZ LYS 102 2HZ LYS 102 12.276 -3.980 -10.437 802 3HZ LYS 102 3HZ LYS 102 13.270 -4.787 -11.474 803 H SER 103 H SER 103 6.333 -5.984 -9.603 804 HA SER 103 HA SER 103 4.202 -5.191 -7.707 805 1HB SER 103 1HB SER 103 4.146 -6.734 -10.337 806 2HB SER 103 2HB SER 103 2.731 -6.215 -9.396 807 HG SER 103 HG SER 103 3.448 -4.060 -9.696 808 H PHE 104 H PHE 104 5.686 -6.515 -6.115 809 HA PHE 104 HA PHE 104 5.529 -9.374 -6.298 810 1HB PHE 104 1HB PHE 104 7.340 -8.216 -5.160 811 2HB PHE 104 2HB PHE 104 6.222 -7.555 -3.975 812 HD1 PHE 104 HD1 PHE 104 7.749 -10.697 -5.280 813 HD2 PHE 104 HD2 PHE 104 5.464 -8.906 -2.091 814 HE1 PHE 104 HE1 PHE 104 7.956 -12.784 -3.955 815 HE2 PHE 104 HE2 PHE 104 5.652 -11.009 -0.788 816 HZ PHE 104 1HZ PHE 104 6.904 -12.942 -1.707 817 HA PRO 105 HA PRO 105 1.287 -9.307 -4.746 818 1HB PRO 105 1HB PRO 105 0.666 -11.946 -4.829 819 2HB PRO 105 2HB PRO 105 0.997 -11.012 -6.318 820 1HG PRO 105 1HG PRO 105 2.952 -12.736 -4.762 821 2HG PRO 105 2HG PRO 105 2.580 -12.820 -6.511 822 1HD PRO 105 1HD PRO 105 4.706 -11.411 -5.558 823 2HD PRO 105 2HD PRO 105 3.742 -10.803 -6.940 824 H ILE 106 H ILE 106 0.006 -10.069 -2.925 825 HA ILE 106 HA ILE 106 1.535 -10.317 -0.485 826 HB ILE 106 HB ILE 106 -0.586 -8.954 -0.850 827 1HG1 ILE 106 1HG1 ILE 106 -1.591 -9.390 1.334 828 2HG1 ILE 106 2HG1 ILE 106 -0.607 -10.883 1.471 829 1HG2 ILE 106 1HG2 ILE 106 -1.885 -10.760 -2.040 830 2HG2 ILE 106 2HG2 ILE 106 -2.011 -11.631 -0.497 831 3HG2 ILE 106 3HG2 ILE 106 -2.746 -10.036 -0.673 832 1HD1 ILE 106 1HD1 ILE 106 0.553 -8.075 1.104 833 2HD1 ILE 106 2HD1 ILE 106 0.270 -8.811 2.688 834 3HD1 ILE 106 3HD1 ILE 106 1.427 -9.553 1.577 835 H THR 107 H THR 107 1.318 -12.063 1.055 836 HA THR 107 HA THR 107 0.812 -14.734 -0.191 837 HB THR 107 HB THR 107 2.313 -15.612 1.484 838 HG1 THR 107 HG1 THR 107 3.285 -14.241 2.974 839 1HG2 THR 107 1HG2 THR 107 3.581 -13.144 0.228 840 2HG2 THR 107 2HG2 THR 107 4.408 -14.598 0.817 841 H GLU 108 H GLU 108 0.337 -16.359 1.664 842 HA GLU 108 HA GLU 108 -1.740 -15.350 3.550 843 1HB GLU 108 1HB GLU 108 -2.693 -17.549 3.573 844 2HB GLU 108 2HB GLU 108 -2.724 -16.888 1.941 845 1HG GLU 108 1HG GLU 108 -0.628 -18.890 2.931 846 2HG GLU 108 2HG GLU 108 -2.139 -19.339 2.147 847 H LYS 109 H LYS 109 1.454 -16.538 3.205 848 HA LYS 109 HA LYS 109 1.605 -18.094 5.627 849 1HB LYS 109 1HB LYS 109 3.692 -17.006 3.699 850 2HB LYS 109 2HB LYS 109 4.054 -18.058 5.084 851 1HG LYS 109 1HG LYS 109 2.633 -19.826 4.155 852 2HG LYS 109 2HG LYS 109 2.153 -18.771 2.811 853 1HD LYS 109 1HD LYS 109 4.496 -18.659 2.030 854 2HD LYS 109 2HD LYS 109 5.004 -19.668 3.397 855 1HE LYS 109 1HE LYS 109 4.836 -21.032 1.399 856 2HE LYS 109 2HE LYS 109 3.580 -21.526 2.547 857 1HZ LYS 109 1HZ LYS 109 3.186 -19.758 0.232 858 2HZ LYS 109 2HZ LYS 109 2.759 -21.349 0.312 859 3HZ LYS 109 3HZ LYS 109 2.013 -20.246 1.281 860 H GLY 110 H GLY 110 3.856 -15.404 4.930 861 1HA GLY 110 1HA GLY 110 3.388 -13.414 6.695 862 2HA GLY 110 2HA GLY 110 3.831 -14.729 7.786 863 H PHE 111 H PHE 111 4.994 -13.329 4.643 864 HA PHE 111 HA PHE 111 7.741 -14.000 5.271 865 1HB PHE 111 1HB PHE 111 8.355 -12.965 3.264 866 2HB PHE 111 2HB PHE 111 6.893 -13.887 2.957 867 HD1 PHE 111 HD1 PHE 111 4.749 -12.709 2.500 868 HD2 PHE 111 HD2 PHE 111 8.431 -10.543 3.023 869 HE1 PHE 111 HE1 PHE 111 3.712 -10.703 1.465 870 HE2 PHE 111 HE2 PHE 111 7.403 -8.545 1.976 871 HZ PHE 111 1HZ PHE 111 5.049 -8.621 1.193 872 H VAL 112 H VAL 112 9.123 -12.861 6.498 873 HA VAL 112 HA VAL 112 8.317 -10.364 7.752 874 HB VAL 112 HB VAL 112 10.840 -12.064 7.844 875 1HG1 VAL 112 1HG1 VAL 112 10.186 -9.468 9.276 876 2HG1 VAL 112 2HG1 VAL 112 11.440 -10.600 9.829 877 3HG1 VAL 112 3HG1 VAL 112 11.598 -9.811 8.256 878 1HG2 VAL 112 1HG2 VAL 112 8.821 -13.010 8.954 879 2HG2 VAL 112 2HG2 VAL 112 10.054 -12.547 10.136 880 3HG2 VAL 112 3HG2 VAL 112 8.636 -11.508 9.885 881 H VAL 113 H VAL 113 8.919 -8.327 7.177 882 HA VAL 113 HA VAL 113 9.980 -7.712 4.612 883 HB VAL 113 HB VAL 113 9.665 -6.012 7.108 884 1HG1 VAL 113 1HG1 VAL 113 10.184 -5.200 4.207 885 2HG1 VAL 113 2HG1 VAL 113 9.767 -4.090 5.528 886 3HG1 VAL 113 3HG1 VAL 113 11.301 -4.966 5.568 887 1HG2 VAL 113 1HG2 VAL 113 7.919 -6.342 4.625 888 2HG2 VAL 113 2HG2 VAL 113 7.526 -6.907 6.262 889 3HG2 VAL 113 3HG2 VAL 113 7.647 -5.175 5.936 890 HA PRO 114 HA PRO 114 14.038 -8.800 6.253 891 1HB PRO 114 1HB PRO 114 15.343 -9.409 3.981 892 2HB PRO 114 2HB PRO 114 13.848 -10.275 4.423 893 1HG PRO 114 1HG PRO 114 14.085 -7.887 2.561 894 2HG PRO 114 2HG PRO 114 13.332 -9.471 2.208 895 1HD PRO 114 1HD PRO 114 11.894 -7.301 3.112 896 2HD PRO 114 2HD PRO 114 11.474 -8.985 3.526 897 H ASP 115 H ASP 115 13.340 -5.773 5.373 898 HA ASP 115 HA ASP 115 14.345 -3.830 5.026 899 1HB ASP 115 1HB ASP 115 15.685 -4.640 7.070 900 2HB ASP 115 2HB ASP 115 16.995 -5.022 5.951 901 H LEU 116 H LEU 116 17.113 -3.322 3.990 902 HA LEU 116 HA LEU 116 17.414 -4.894 1.598 903 1HB LEU 116 1HB LEU 116 15.386 -3.506 1.079 904 2HB LEU 116 2HB LEU 116 16.337 -2.044 1.308 905 HG LEU 116 HG LEU 116 17.411 -4.105 -0.613 906 1HD1 LEU 116 1HD1 LEU 116 14.972 -2.391 -1.210 907 2HD1 LEU 116 2HD1 LEU 116 15.898 -3.301 -2.412 908 3HD1 LEU 116 3HD1 LEU 116 15.024 -4.165 -1.140 909 1HD2 LEU 116 1HD2 LEU 116 18.538 -1.844 -0.218 910 2HD2 LEU 116 2HD2 LEU 116 18.061 -2.148 -1.885 911 3HD2 LEU 116 3HD2 LEU 116 17.082 -1.080 -0.843 912 H SER 117 H SER 117 19.350 -4.474 0.556 913 HA SER 117 HA SER 117 20.877 -2.058 1.070 914 1HB SER 117 1HB SER 117 21.466 -3.485 3.047 915 2HB SER 117 2HB SER 117 22.009 -4.758 1.938 916 HG SER 117 HG SER 117 23.029 -2.111 2.092 917 H GLU 118 H GLU 118 22.839 -2.019 -0.258 918 HA GLU 118 HA GLU 118 24.259 -2.488 -1.858 919 1HB GLU 118 1HB GLU 118 24.015 -4.827 -0.974 920 2HB GLU 118 2HB GLU 118 22.956 -5.201 -2.338 921 1HG GLU 118 1HG GLU 118 25.830 -4.187 -2.523 922 2HG GLU 118 2HG GLU 118 25.325 -5.875 -2.655 923 H HIS 119 H HIS 119 21.399 -4.113 -3.326 924 HA HIS 119 HA HIS 119 22.086 -3.133 -5.883 925 1HB HIS 119 1HB HIS 119 19.966 -4.192 -6.613 926 2HB HIS 119 2HB HIS 119 21.059 -5.230 -5.701 927 HD1 HIS 119 HD1 HIS 119 20.304 -5.848 -3.149 928 HD2 HIS 119 HD2 HIS 119 17.497 -3.959 -5.649 929 HE1 HIS 119 HE1 HIS 119 18.006 -6.237 -2.101 930 H ILE 120 H ILE 120 19.532 -2.014 -3.622 931 HA ILE 120 HA ILE 120 19.625 0.588 -5.015 932 HB ILE 120 HB ILE 120 17.229 0.921 -4.925 933 1HG1 ILE 120 1HG1 ILE 120 17.014 -1.971 -3.988 934 2HG1 ILE 120 2HG1 ILE 120 16.729 -0.526 -3.010 935 1HG2 ILE 120 1HG2 ILE 120 18.318 -0.106 -6.942 936 2HG2 ILE 120 2HG2 ILE 120 17.763 -1.687 -6.371 937 3HG2 ILE 120 3HG2 ILE 120 16.592 -0.421 -6.796 938 1HD1 ILE 120 1HD1 ILE 120 14.874 0.128 -4.485 939 2HD1 ILE 120 2HD1 ILE 120 15.086 -1.382 -5.416 940 3HD1 ILE 120 3HD1 ILE 120 14.605 -1.445 -3.717 941 H LYS 121 H LYS 121 18.033 2.088 -3.446 942 HA LYS 121 HA LYS 121 18.525 1.556 -0.631 943 1HB LYS 121 1HB LYS 121 20.091 3.394 -0.262 944 2HB LYS 121 2HB LYS 121 20.760 2.218 -1.381 945 1HG LYS 121 1HG LYS 121 19.835 3.824 -3.273 946 2HG LYS 121 2HG LYS 121 19.670 4.980 -1.950 947 1HD LYS 121 1HD LYS 121 21.756 5.459 -2.928 948 2HD LYS 121 2HD LYS 121 22.115 4.622 -1.414 949 1HE LYS 121 1HE LYS 121 23.581 3.837 -3.193 950 2HE LYS 121 2HE LYS 121 22.517 2.508 -2.721 951 1HZ LYS 121 1HZ LYS 121 22.141 4.264 -5.046 952 2HZ LYS 121 2HZ LYS 121 22.729 2.724 -5.085 953 3HZ LYS 121 3HZ LYS 121 21.171 2.997 -4.630 954 H ASN 122 H ASN 122 16.218 2.205 -2.431 955 HA ASN 122 HA ASN 122 15.025 4.098 -0.592 956 1HB ASN 122 1HB ASN 122 14.392 5.793 -2.122 957 2HB ASN 122 2HB ASN 122 16.137 5.627 -2.216 958 1HD2 ASN 122 1HD2 ASN 122 15.892 4.053 -5.589 959 2HD2 ASN 122 2HD2 ASN 122 16.659 3.683 -4.062 960 HA PRO 123 HA PRO 123 12.231 0.873 -2.666 961 1HB PRO 123 1HB PRO 123 11.795 -0.812 -0.580 962 2HB PRO 123 2HB PRO 123 13.176 -0.969 -1.692 963 1HG PRO 123 1HG PRO 123 13.166 0.437 1.007 964 2HG PRO 123 2HG PRO 123 14.291 -0.833 0.454 965 1HD PRO 123 1HD PRO 123 14.988 1.751 0.231 966 2HD PRO 123 2HD PRO 123 15.292 0.640 -1.131 967 H GLY 124 H GLY 124 10.274 1.742 -2.788 968 1HA GLY 124 1HA GLY 124 9.033 3.170 -0.477 969 2HA GLY 124 2HA GLY 124 8.761 3.431 -2.199 970 H PHE 125 H PHE 125 8.397 0.957 0.317 971 HA PHE 125 HA PHE 125 6.861 -0.927 -1.099 972 1HB PHE 125 1HB PHE 125 7.084 -0.342 1.858 973 2HB PHE 125 2HB PHE 125 6.397 -1.815 1.175 974 HD1 PHE 125 HD1 PHE 125 7.847 -3.495 0.080 975 HD2 PHE 125 HD2 PHE 125 9.497 0.017 1.956 976 HE1 PHE 125 HE1 PHE 125 10.043 -4.631 0.279 977 HE2 PHE 125 HE2 PHE 125 11.664 -1.157 2.232 978 HZ PHE 125 1HZ PHE 125 11.945 -3.474 1.386 979 H ASN 126 H ASN 126 5.143 0.240 -2.199 980 HA ASN 126 HA ASN 126 3.099 1.572 -0.542 981 1HB ASN 126 1HB ASN 126 3.262 1.239 -3.544 982 2HB ASN 126 2HB ASN 126 2.157 2.285 -2.646 983 1HD2 ASN 126 1HD2 ASN 126 5.302 4.078 -3.976 984 2HD2 ASN 126 2HD2 ASN 126 4.240 2.902 -4.717 985 H LEU 127 H LEU 127 1.956 0.031 0.559 986 HA LEU 127 HA LEU 127 0.933 -2.394 -0.693 987 1HB LEU 127 1HB LEU 127 0.513 -1.016 1.981 988 2HB LEU 127 2HB LEU 127 -0.449 -2.404 1.485 989 HG LEU 127 HG LEU 127 1.370 -3.042 2.953 990 1HD1 LEU 127 1HD1 LEU 127 0.470 -4.617 1.218 991 2HD1 LEU 127 2HD1 LEU 127 1.826 -4.182 0.167 992 3HD1 LEU 127 3HD1 LEU 127 2.134 -4.961 1.725 993 1HD2 LEU 127 1HD2 LEU 127 3.056 -1.345 2.255 994 2HD2 LEU 127 2HD2 LEU 127 3.692 -2.997 2.346 995 3HD2 LEU 127 3HD2 LEU 127 3.343 -2.282 0.766 996 H ILE 128 H ILE 128 -0.254 -1.849 -2.441 997 HA ILE 128 HA ILE 128 -2.627 -0.076 -2.094 998 HB ILE 128 HB ILE 128 -1.037 -0.873 -4.554 999 1HG1 ILE 128 1HG1 ILE 128 -1.530 1.820 -3.185 1000 2HG1 ILE 128 2HG1 ILE 128 -0.050 0.848 -3.078 1001 1HG2 ILE 128 1HG2 ILE 128 -3.624 0.718 -4.273 1002 2HG2 ILE 128 2HG2 ILE 128 -2.662 0.625 -5.766 1003 3HG2 ILE 128 3HG2 ILE 128 -3.425 -0.821 -5.129 1004 1HD1 ILE 128 1HD1 ILE 128 0.241 1.068 -5.552 1005 2HD1 ILE 128 2HD1 ILE 128 -1.123 2.213 -5.570 1006 3HD1 ILE 128 3HD1 ILE 128 0.339 2.597 -4.658 1007 H THR 129 H THR 129 -4.469 -1.064 -1.864 1008 HA THR 129 HA THR 129 -5.011 -3.717 -3.127 1009 HB THR 129 HB THR 129 -6.176 -2.603 -0.536 1010 HG1 THR 129 HG1 THR 129 -4.790 -4.100 0.452 1011 1HG2 THR 129 1HG2 THR 129 -6.308 -5.361 -1.837 1012 2HG2 THR 129 2HG2 THR 129 -6.738 -5.045 -0.146 1013 H LYS 130 H LYS 130 -7.561 -3.863 -3.383 1014 HA LYS 130 HA LYS 130 -8.788 -1.226 -4.015 1015 1HB LYS 130 1HB LYS 130 -7.861 -2.107 -6.098 1016 2HB LYS 130 2HB LYS 130 -8.699 -3.651 -5.858 1017 1HG LYS 130 1HG LYS 130 -10.888 -2.466 -5.934 1018 2HG LYS 130 2HG LYS 130 -10.057 -0.932 -6.201 1019 1HD LYS 130 1HD LYS 130 -9.930 -3.386 -8.018 1020 2HD LYS 130 2HD LYS 130 -10.997 -2.003 -8.270 1021 1HE LYS 130 1HE LYS 130 -7.946 -1.922 -8.345 1022 2HE LYS 130 2HE LYS 130 -9.041 -1.877 -9.728 1023 1HZ LYS 130 1HZ LYS 130 -9.936 0.166 -8.906 1024 2HZ LYS 130 2HZ LYS 130 -8.910 0.145 -7.615 1025 3HZ LYS 130 3HZ LYS 130 -8.309 0.292 -9.143 1026 H VAL 131 H VAL 131 -10.522 -1.119 -2.710 1027 HA VAL 131 HA VAL 131 -12.104 -3.602 -2.219 1028 HB VAL 131 HB VAL 131 -12.350 -3.090 0.048 1029 1HG1 VAL 131 1HG1 VAL 131 -10.125 -4.070 -0.604 1030 2HG1 VAL 131 2HG1 VAL 131 -9.427 -2.443 -0.501 1031 3HG1 VAL 131 3HG1 VAL 131 -10.125 -3.199 0.941 1032 1HG2 VAL 131 1HG2 VAL 131 -11.088 -0.388 -0.511 1033 2HG2 VAL 131 2HG2 VAL 131 -12.727 -0.728 0.080 1034 3HG2 VAL 131 3HG2 VAL 131 -11.342 -1.052 1.121 1035 H VAL 132 H VAL 132 -14.286 -3.430 -2.042 1036 HA VAL 132 HA VAL 132 -15.546 -1.148 -3.362 1037 HB VAL 132 HB VAL 132 -16.682 -3.720 -2.203 1038 1HG1 VAL 132 1HG1 VAL 132 -17.943 -1.561 -3.941 1039 2HG1 VAL 132 2HG1 VAL 132 -18.688 -3.132 -3.573 1040 3HG1 VAL 132 3HG1 VAL 132 -18.402 -1.958 -2.282 1041 1HG2 VAL 132 1HG2 VAL 132 -16.046 -2.906 -5.076 1042 2HG2 VAL 132 2HG2 VAL 132 -15.192 -4.144 -4.129 1043 3HG2 VAL 132 3HG2 VAL 132 -16.883 -4.393 -4.585 1044 H ILE 133 H ILE 133 -15.894 0.646 -2.150 1045 HA ILE 133 HA ILE 133 -16.620 0.389 0.724 1046 HB ILE 133 HB ILE 133 -15.863 2.901 -0.796 1047 1HG1 ILE 133 1HG1 ILE 133 -14.104 1.140 0.968 1048 2HG1 ILE 133 2HG1 ILE 133 -13.988 1.299 -0.821 1049 1HG2 ILE 133 1HG2 ILE 133 -17.251 3.165 1.282 1050 2HG2 ILE 133 2HG2 ILE 133 -16.045 2.233 2.185 1051 3HG2 ILE 133 3HG2 ILE 133 -15.630 3.812 1.499 1052 1HD1 ILE 133 1HD1 ILE 133 -13.574 3.765 -0.500 1053 2HD1 ILE 133 2HD1 ILE 133 -13.469 3.511 1.252 1054 3HD1 ILE 133 3HD1 ILE 133 -12.304 2.724 0.182 1055 H GLU 134 H GLU 134 -18.770 0.153 0.949 1056 HA GLU 134 HA GLU 134 -20.714 1.543 -0.797 1057 1HB GLU 134 1HB GLU 134 -21.067 -0.291 1.613 1058 2HB GLU 134 2HB GLU 134 -22.371 0.359 0.603 1059 1HG GLU 134 1HG GLU 134 -20.130 -1.486 -0.329 1060 2HG GLU 134 2HG GLU 134 -21.794 -1.967 0.011 1061 H LYS 135 H LYS 135 -20.496 3.714 -0.388 1062 HA LYS 135 HA LYS 135 -19.806 4.845 2.073 1063 1HB LYS 135 1HB LYS 135 -19.564 5.955 -0.096 1064 2HB LYS 135 2HB LYS 135 -21.327 6.098 -0.249 1065 1HG LYS 135 1HG LYS 135 -21.423 7.571 1.718 1066 2HG LYS 135 2HG LYS 135 -19.732 7.232 2.074 1067 1HD LYS 135 1HD LYS 135 -19.812 9.411 1.112 1068 2HD LYS 135 2HD LYS 135 -19.058 8.326 -0.064 1069 1HE LYS 135 1HE LYS 135 -20.595 9.831 -1.187 1070 2HE LYS 135 2HE LYS 135 -21.245 8.189 -1.290 1071 1HZ LYS 135 1HZ LYS 135 -22.070 10.247 0.641 1072 2HZ LYS 135 2HZ LYS 135 -22.908 9.803 -0.708 1073 3HZ LYS 135 3HZ LYS 135 -22.705 8.730 0.526 1074 H LYS 136 H LYS 136 -20.919 5.258 3.905 1075 HA LYS 136 HA LYS 136 -23.708 4.499 4.174 1076 1HB LYS 136 1HB LYS 136 -21.835 5.903 6.109 1077 2HB LYS 136 2HB LYS 136 -23.406 5.189 6.505 1078 1HG LYS 136 1HG LYS 136 -22.521 2.954 5.739 1079 2HG LYS 136 2HG LYS 136 -20.917 3.688 5.567 1080 1HD LYS 136 1HD LYS 136 -22.549 3.521 8.144 1081 2HD LYS 136 2HD LYS 136 -21.162 2.509 7.714 1082 1HE LYS 136 1HE LYS 136 -19.771 4.633 7.567 1083 2HE LYS 136 2HE LYS 136 -21.154 5.495 8.274 1084 1HZ LYS 136 1HZ LYS 136 -21.013 4.046 10.153 1085 2HZ LYS 136 2HZ LYS 136 -19.727 3.249 9.496 1086 3HZ LYS 136 3HZ LYS 136 -19.584 4.836 9.918 No H/Q in entry = 1086 Start of MODEL 18 1 H SER 1 H SER 1 -14.348 11.699 8.417 2 HA SER 1 HA SER 1 -16.453 12.557 7.568 3 1HB SER 1 1HB SER 1 -14.320 13.661 6.837 4 2HB SER 1 2HB SER 1 -14.383 12.699 5.345 5 HG SER 1 HG SER 1 -15.331 14.764 5.119 6 H SER 2 H SER 2 -15.389 9.608 6.152 7 HA SER 2 HA SER 2 -16.135 8.175 4.611 8 1HB SER 2 1HB SER 2 -18.087 8.181 6.109 9 2HB SER 2 2HB SER 2 -18.881 9.410 5.109 10 HG SER 2 HG SER 2 -18.817 7.925 3.399 11 H SER 3 H SER 3 -14.828 10.194 3.498 12 HA SER 3 HA SER 3 -15.925 10.378 0.817 13 1HB SER 3 1HB SER 3 -16.080 12.834 0.735 14 2HB SER 3 2HB SER 3 -17.203 12.202 1.941 15 HG SER 3 HG SER 3 -15.630 12.690 3.532 16 H PHE 4 H PHE 4 -13.314 10.044 2.809 17 HA PHE 4 HA PHE 4 -11.127 10.346 2.720 18 1HB PHE 4 1HB PHE 4 -11.232 8.986 0.770 19 2HB PHE 4 2HB PHE 4 -11.682 10.341 -0.263 20 HD1 PHE 4 HD1 PHE 4 -8.920 10.496 2.277 21 HD2 PHE 4 HD2 PHE 4 -9.966 10.119 -1.896 22 HE1 PHE 4 HE1 PHE 4 -6.610 10.995 1.647 23 HE2 PHE 4 HE2 PHE 4 -7.596 10.480 -2.508 24 HZ PHE 4 1HZ PHE 4 -5.895 10.862 -0.741 25 H ASP 5 H ASP 5 -11.744 12.366 3.831 26 HA ASP 5 HA ASP 5 -11.534 14.873 2.325 27 1HB ASP 5 1HB ASP 5 -13.279 14.527 4.006 28 2HB ASP 5 2HB ASP 5 -12.059 14.283 5.261 29 H LYS 6 H LYS 6 -9.281 14.372 1.674 30 HA LYS 6 HA LYS 6 -7.514 15.977 3.255 31 1HB LYS 6 1HB LYS 6 -7.230 13.787 4.412 32 2HB LYS 6 2HB LYS 6 -6.703 13.054 2.905 33 1HG LYS 6 1HG LYS 6 -4.615 13.779 3.251 34 2HG LYS 6 2HG LYS 6 -5.136 15.462 3.339 35 1HD LYS 6 1HD LYS 6 -5.226 13.512 5.684 36 2HD LYS 6 2HD LYS 6 -3.898 14.638 5.360 37 1HE LYS 6 1HE LYS 6 -5.427 16.561 5.554 38 2HE LYS 6 2HE LYS 6 -6.790 15.473 5.876 39 1HZ LYS 6 1HZ LYS 6 -4.390 15.735 7.533 40 2HZ LYS 6 2HZ LYS 6 -5.882 16.350 7.872 41 3HZ LYS 6 3HZ LYS 6 -5.656 14.718 7.823 42 H GLY 7 H GLY 7 -7.257 13.337 0.802 43 1HA GLY 7 1HA GLY 7 -7.001 13.442 -1.458 44 2HA GLY 7 2HA GLY 7 -7.225 15.187 -1.377 45 H LYS 8 H LYS 8 -4.895 12.567 -1.371 46 HA LYS 8 HA LYS 8 -2.746 12.434 -2.043 47 1HB LYS 8 1HB LYS 8 -3.503 14.988 -3.522 48 2HB LYS 8 2HB LYS 8 -2.175 13.916 -3.948 49 1HG LYS 8 1HG LYS 8 -5.073 12.963 -3.871 50 2HG LYS 8 2HG LYS 8 -4.381 13.750 -5.279 51 1HD LYS 8 1HD LYS 8 -3.063 11.305 -4.059 52 2HD LYS 8 2HD LYS 8 -4.394 11.183 -5.222 53 1HE LYS 8 1HE LYS 8 -3.095 12.516 -6.863 54 2HE LYS 8 2HE LYS 8 -1.729 12.573 -5.733 55 1HZ LYS 8 1HZ LYS 8 -2.912 10.142 -6.862 56 2HZ LYS 8 2HZ LYS 8 -1.499 10.844 -7.344 57 3HZ LYS 8 3HZ LYS 8 -1.628 10.204 -5.830 58 H TYR 9 H TYR 9 -2.628 13.283 0.468 59 HA TYR 9 HA TYR 9 -1.254 15.840 0.722 60 1HB TYR 9 1HB TYR 9 -2.827 15.299 2.400 61 2HB TYR 9 2HB TYR 9 -2.142 13.692 2.644 62 HD1 TYR 9 HD1 TYR 9 -0.557 17.130 2.574 63 HD2 TYR 9 HD2 TYR 9 -1.335 13.534 4.833 64 HE1 TYR 9 HE1 TYR 9 0.979 17.905 4.350 65 HE2 TYR 9 HE2 TYR 9 0.112 14.368 6.651 66 HH TYR 9 HH TYR 9 1.602 15.989 7.317 67 H LYS 10 H LYS 10 -0.419 12.533 1.774 68 HA LYS 10 HA LYS 10 1.498 11.400 2.037 69 1HB LYS 10 1HB LYS 10 3.111 13.691 0.847 70 2HB LYS 10 2HB LYS 10 3.667 12.087 1.275 71 1HG LYS 10 1HG LYS 10 1.653 12.725 -0.922 72 2HG LYS 10 2HG LYS 10 3.355 12.289 -1.114 73 1HD LYS 10 1HD LYS 10 2.821 10.081 0.070 74 2HD LYS 10 2HD LYS 10 1.108 10.533 -0.043 75 1HE LYS 10 1HE LYS 10 1.584 9.096 -1.880 76 2HE LYS 10 2HE LYS 10 1.391 10.726 -2.545 77 1HZ LYS 10 1HZ LYS 10 3.948 9.392 -1.963 78 2HZ LYS 10 2HZ LYS 10 3.280 9.574 -3.459 79 3HZ LYS 10 3HZ LYS 10 3.780 10.896 -2.614 80 H LYS 11 H LYS 11 1.974 11.135 4.077 81 HA LYS 11 HA LYS 11 1.996 13.002 6.147 82 1HB LYS 11 1HB LYS 11 1.845 10.622 6.535 83 2HB LYS 11 2HB LYS 11 3.414 10.349 5.778 84 1HG LYS 11 1HG LYS 11 3.596 10.139 8.168 85 2HG LYS 11 2HG LYS 11 4.570 11.498 7.607 86 1HD LYS 11 1HD LYS 11 2.790 13.076 8.354 87 2HD LYS 11 2HD LYS 11 1.791 11.697 8.867 88 1HE LYS 11 1HE LYS 11 3.559 11.029 10.478 89 2HE LYS 11 2HE LYS 11 4.562 12.395 9.945 90 1HZ LYS 11 1HZ LYS 11 2.850 13.865 10.707 91 2HZ LYS 11 2HZ LYS 11 1.920 12.596 11.203 92 3HZ LYS 11 3HZ LYS 11 3.369 12.892 11.934 93 H GLY 12 H GLY 12 4.736 11.765 4.184 94 1HA GLY 12 1HA GLY 12 6.225 14.292 4.649 95 2HA GLY 12 2HA GLY 12 7.017 12.745 4.996 96 H ASP 13 H ASP 13 7.545 11.364 3.277 97 HA ASP 13 HA ASP 13 8.484 10.928 1.304 98 1HB ASP 13 1HB ASP 13 6.175 10.424 0.702 99 2HB ASP 13 2HB ASP 13 5.908 12.090 0.169 100 H ASP 14 H ASP 14 9.956 12.682 2.129 101 HA ASP 14 HA ASP 14 10.213 14.960 0.219 102 1HB ASP 14 1HB ASP 14 11.793 14.227 2.717 103 2HB ASP 14 2HB ASP 14 12.024 15.673 1.720 104 H ALA 15 H ALA 15 10.248 12.572 -0.995 105 HA ALA 15 HA ALA 15 12.810 12.173 -2.198 106 1HB ALA 15 1HB ALA 15 11.876 10.163 -0.083 107 2HB ALA 15 2HB ALA 15 13.115 9.842 -1.310 108 3HB ALA 15 3HB ALA 15 13.397 11.077 -0.074 109 H SER 16 H SER 16 10.973 12.724 -3.707 110 HA SER 16 HA SER 16 8.688 11.093 -3.896 111 1HB SER 16 1HB SER 16 8.758 13.415 -4.632 112 2HB SER 16 2HB SER 16 9.879 13.007 -5.943 113 HG SER 16 HG SER 16 8.249 11.629 -6.775 114 H TYR 17 H TYR 17 11.217 11.371 -6.483 115 HA TYR 17 HA TYR 17 11.096 8.499 -7.022 116 1HB TYR 17 1HB TYR 17 8.921 9.754 -7.857 117 2HB TYR 17 2HB TYR 17 9.952 10.360 -9.126 118 HD1 TYR 17 HD1 TYR 17 8.772 7.246 -7.402 119 HD2 TYR 17 HD2 TYR 17 10.188 8.977 -11.089 120 HE1 TYR 17 HE1 TYR 17 7.827 5.341 -8.656 121 HE2 TYR 17 HE2 TYR 17 9.276 7.048 -12.342 122 HH TYR 17 HH TYR 17 7.382 4.457 -10.747 123 H PHE 18 H PHE 18 13.296 10.216 -6.438 124 HA PHE 18 HA PHE 18 14.896 9.970 -8.890 125 1HB PHE 18 1HB PHE 18 13.769 12.113 -9.225 126 2HB PHE 18 2HB PHE 18 14.224 12.645 -7.612 127 HD1 PHE 18 HD1 PHE 18 15.745 11.454 -10.848 128 HD2 PHE 18 HD2 PHE 18 16.186 13.950 -7.357 129 HE1 PHE 18 HE1 PHE 18 17.795 12.460 -11.820 130 HE2 PHE 18 HE2 PHE 18 18.206 14.981 -8.355 131 HZ PHE 18 1HZ PHE 18 19.018 14.236 -10.583 132 H GLU 19 H GLU 19 16.651 9.008 -8.179 133 HA GLU 19 HA GLU 19 18.546 8.558 -7.205 134 1HB GLU 19 1HB GLU 19 18.321 11.387 -6.090 135 2HB GLU 19 2HB GLU 19 19.776 10.401 -5.979 136 1HG GLU 19 1HG GLU 19 19.863 10.175 -8.420 137 2HG GLU 19 2HG GLU 19 18.435 11.205 -8.585 138 HA PRO 20 HA PRO 20 18.053 7.010 -3.029 139 1HB PRO 20 1HB PRO 20 20.957 7.736 -2.568 140 2HB PRO 20 2HB PRO 20 20.093 6.217 -2.196 141 1HG PRO 20 1HG PRO 20 21.656 6.396 -4.374 142 2HG PRO 20 2HG PRO 20 20.031 5.659 -4.545 143 1HD PRO 20 1HD PRO 20 20.840 8.524 -5.147 144 2HD PRO 20 2HD PRO 20 19.973 7.353 -6.185 145 H THR 21 H THR 21 16.671 8.960 -2.718 146 HA THR 21 HA THR 21 17.731 11.026 -0.863 147 HB THR 21 HB THR 21 15.477 12.076 -1.351 148 HG1 THR 21 HG1 THR 21 15.483 10.185 -3.472 149 1HG2 THR 21 1HG2 THR 21 16.182 12.946 -3.552 150 2HG2 THR 21 2HG2 THR 21 17.546 12.867 -2.421 151 H GLY 22 H GLY 22 15.254 8.444 -1.226 152 1HA GLY 22 1HA GLY 22 15.568 7.411 1.246 153 2HA GLY 22 2HA GLY 22 14.339 8.661 1.537 154 HA PRO 23 HA PRO 23 12.178 4.875 -0.357 155 1HB PRO 23 1HB PRO 23 11.760 3.171 1.695 156 2HB PRO 23 2HB PRO 23 13.353 3.253 0.900 157 1HG PRO 23 1HG PRO 23 12.517 4.706 3.432 158 2HG PRO 23 2HG PRO 23 13.933 3.631 3.210 159 1HD PRO 23 1HD PRO 23 14.111 6.347 2.956 160 2HD PRO 23 2HD PRO 23 15.060 5.240 1.917 161 H TYR 24 H TYR 24 9.947 4.007 0.529 162 HA TYR 24 HA TYR 24 8.654 5.512 2.615 163 1HB TYR 24 1HB TYR 24 6.800 6.390 1.190 164 2HB TYR 24 2HB TYR 24 8.336 7.200 0.971 165 HD1 TYR 24 HD1 TYR 24 6.119 4.571 -0.561 166 HD2 TYR 24 HD2 TYR 24 9.318 7.402 -1.181 167 HE1 TYR 24 HE1 TYR 24 5.942 4.244 -3.002 168 HE2 TYR 24 HE2 TYR 24 9.077 7.128 -3.625 169 HH TYR 24 HH TYR 24 7.990 6.043 -5.336 170 H LEU 25 H LEU 25 6.313 4.835 2.791 171 HA LEU 25 HA LEU 25 5.736 2.105 1.812 172 1HB LEU 25 1HB LEU 25 7.006 1.890 3.958 173 2HB LEU 25 2HB LEU 25 5.810 2.920 4.738 174 HG LEU 25 HG LEU 25 4.056 1.151 4.025 175 1HD1 LEU 25 1HD1 LEU 25 5.448 -0.064 2.384 176 2HD1 LEU 25 2HD1 LEU 25 6.571 -0.527 3.677 177 3HD1 LEU 25 3HD1 LEU 25 4.902 -1.125 3.688 178 1HD2 LEU 25 1HD2 LEU 25 6.222 0.422 6.037 179 2HD2 LEU 25 2HD2 LEU 25 4.811 1.458 6.343 180 3HD2 LEU 25 3HD2 LEU 25 4.583 -0.261 5.978 181 H MET 26 H MET 26 4.156 3.162 0.544 182 HA MET 26 HA MET 26 2.167 4.933 1.733 183 1HB MET 26 1HB MET 26 2.652 3.806 -1.032 184 2HB MET 26 2HB MET 26 1.218 4.772 -0.626 185 1HG MET 26 1HG MET 26 2.507 6.673 -0.047 186 2HG MET 26 2HG MET 26 4.025 5.772 -0.058 187 1HE MET 26 1HE MET 26 0.983 6.816 -2.300 188 2HE MET 26 2HE MET 26 1.662 6.672 -3.941 189 3HE MET 26 3HE MET 26 1.360 5.214 -2.975 190 H VAL 27 H VAL 27 1.125 3.669 3.300 191 HA VAL 27 HA VAL 27 -0.293 1.209 2.516 192 HB VAL 27 HB VAL 27 -0.204 2.698 5.172 193 1HG1 VAL 27 1HG1 VAL 27 -2.178 1.198 4.902 194 2HG1 VAL 27 2HG1 VAL 27 -1.089 -0.139 4.470 195 3HG1 VAL 27 3HG1 VAL 27 -1.039 0.585 6.088 196 1HG2 VAL 27 1HG2 VAL 27 1.435 0.343 4.143 197 2HG2 VAL 27 2HG2 VAL 27 2.029 1.945 4.645 198 3HG2 VAL 27 3HG2 VAL 27 1.344 0.849 5.844 199 H ASN 28 H ASN 28 -1.814 1.947 1.015 200 HA ASN 28 HA ASN 28 -4.228 3.145 2.188 201 1HB ASN 28 1HB ASN 28 -2.822 4.301 -0.258 202 2HB ASN 28 2HB ASN 28 -4.466 4.722 0.259 203 1HD2 ASN 28 1HD2 ASN 28 -3.476 6.656 3.115 204 2HD2 ASN 28 2HD2 ASN 28 -4.690 5.511 2.589 205 H VAL 29 H VAL 29 -6.020 3.101 0.448 206 HA VAL 29 HA VAL 29 -5.735 0.840 -1.435 207 HB VAL 29 HB VAL 29 -7.973 -0.019 -0.565 208 1HG1 VAL 29 1HG1 VAL 29 -5.892 -1.246 -0.250 209 2HG1 VAL 29 2HG1 VAL 29 -5.542 -0.315 1.207 210 3HG1 VAL 29 3HG1 VAL 29 -6.942 -1.408 1.167 211 1HG2 VAL 29 1HG2 VAL 29 -8.587 1.901 0.872 212 2HG2 VAL 29 2HG2 VAL 29 -8.530 0.379 1.779 213 3HG2 VAL 29 3HG2 VAL 29 -7.209 1.544 1.939 214 H THR 30 H THR 30 -7.317 0.689 -3.001 215 HA THR 30 HA THR 30 -8.467 3.292 -3.785 216 HB THR 30 1HB THR 30 -8.219 0.718 -5.397 217 HG1 THR 30 HG1 THR 30 -6.190 1.402 -4.743 218 1HG2 THR 30 1HG2 THR 30 -8.349 2.319 -7.303 219 2HG2 THR 30 2HG2 THR 30 -9.813 2.399 -6.303 220 H GLY 31 H GLY 31 -10.339 3.432 -2.513 221 1HA GLY 31 1HA GLY 31 -12.220 1.292 -2.138 222 2HA GLY 31 2HA GLY 31 -12.508 3.008 -1.866 223 H VAL 32 H VAL 32 -13.369 0.407 -3.744 224 HA VAL 32 HA VAL 32 -14.556 2.094 -5.900 225 HB VAL 32 HB VAL 32 -14.455 0.101 -7.340 226 1HG1 VAL 32 1HG1 VAL 32 -12.773 1.871 -7.585 227 2HG1 VAL 32 2HG1 VAL 32 -11.725 1.048 -6.407 228 3HG1 VAL 32 3HG1 VAL 32 -12.107 0.277 -7.959 229 1HG2 VAL 32 1HG2 VAL 32 -14.177 -1.659 -5.568 230 2HG2 VAL 32 2HG2 VAL 32 -12.990 -1.767 -6.873 231 3HG2 VAL 32 3HG2 VAL 32 -12.513 -1.084 -5.314 232 H ASP 33 H ASP 33 -16.651 1.362 -6.629 233 HA ASP 33 HA ASP 33 -18.278 0.019 -4.564 234 1HB ASP 33 1HB ASP 33 -18.912 1.186 -7.302 235 2HB ASP 33 2HB ASP 33 -20.109 0.416 -6.255 236 H SER 34 H SER 34 -19.898 -1.655 -5.618 237 HA SER 34 HA SER 34 -18.472 -3.998 -6.368 238 1HB SER 34 1HB SER 34 -20.661 -4.010 -5.241 239 2HB SER 34 2HB SER 34 -21.425 -3.302 -6.679 240 HG SER 34 HG SER 34 -20.753 -5.163 -7.832 241 H LYS 35 H LYS 35 -20.397 -1.630 -8.252 242 HA LYS 35 HA LYS 35 -19.918 -2.828 -10.812 243 1HB LYS 35 1HB LYS 35 -20.947 -0.859 -11.715 244 2HB LYS 35 2HB LYS 35 -21.864 -1.449 -10.321 245 1HG LYS 35 1HG LYS 35 -20.654 0.309 -8.910 246 2HG LYS 35 2HG LYS 35 -20.007 0.967 -10.419 247 1HD LYS 35 1HD LYS 35 -22.956 0.675 -9.677 248 2HD LYS 35 2HD LYS 35 -22.013 2.171 -9.634 249 1HE LYS 35 1HE LYS 35 -21.634 1.953 -12.114 250 2HE LYS 35 2HE LYS 35 -22.715 0.546 -12.120 251 1HZ LYS 35 1HZ LYS 35 -23.456 3.250 -11.284 252 2HZ LYS 35 2HZ LYS 35 -23.860 2.524 -12.710 253 3HZ LYS 35 3HZ LYS 35 -24.447 1.932 -11.287 254 H GLY 36 H GLY 36 -17.903 -0.863 -8.778 255 1HA GLY 36 1HA GLY 36 -15.619 -0.825 -9.101 256 2HA GLY 36 2HA GLY 36 -15.800 -1.006 -10.842 257 H ASN 37 H ASN 37 -17.604 1.426 -8.952 258 HA ASN 37 HA ASN 37 -16.285 3.613 -10.458 259 1HB ASN 37 1HB ASN 37 -18.706 3.513 -8.625 260 2HB ASN 37 2HB ASN 37 -18.068 4.983 -9.375 261 1HD2 ASN 37 1HD2 ASN 37 -20.830 3.980 -11.557 262 2HD2 ASN 37 2HD2 ASN 37 -20.574 4.650 -9.959 263 H GLU 38 H GLU 38 -14.470 4.443 -9.595 264 HA GLU 38 HA GLU 38 -13.630 3.919 -6.943 265 1HB GLU 38 1HB GLU 38 -12.118 4.284 -8.855 266 2HB GLU 38 2HB GLU 38 -12.560 6.003 -8.874 267 1HG GLU 38 1HG GLU 38 -11.729 6.221 -6.524 268 2HG GLU 38 2HG GLU 38 -11.295 4.504 -6.528 269 H LEU 39 H LEU 39 -14.115 4.876 -5.096 270 HA LEU 39 HA LEU 39 -15.558 7.459 -5.020 271 1HB LEU 39 1HB LEU 39 -14.984 5.533 -2.745 272 2HB LEU 39 2HB LEU 39 -16.086 6.907 -2.774 273 HG LEU 39 HG LEU 39 -17.064 5.419 -4.899 274 1HD1 LEU 39 1HD1 LEU 39 -16.097 3.470 -2.744 275 2HD1 LEU 39 2HD1 LEU 39 -17.217 3.073 -4.055 276 3HD1 LEU 39 3HD1 LEU 39 -15.557 3.527 -4.433 277 1HD2 LEU 39 1HD2 LEU 39 -17.831 5.195 -1.974 278 2HD2 LEU 39 2HD2 LEU 39 -18.420 6.411 -3.141 279 3HD2 LEU 39 3HD2 LEU 39 -18.849 4.704 -3.345 280 H LEU 40 H LEU 40 -12.553 5.841 -3.936 281 HA LEU 40 HA LEU 40 -11.309 8.460 -3.407 282 1HB LEU 40 1HB LEU 40 -10.527 7.773 -1.199 283 2HB LEU 40 2HB LEU 40 -12.285 7.849 -1.301 284 HG LEU 40 HG LEU 40 -11.941 5.205 -1.836 285 1HD1 LEU 40 1HD1 LEU 40 -9.453 5.321 -1.577 286 2HD1 LEU 40 2HD1 LEU 40 -9.670 5.913 0.079 287 3HD1 LEU 40 3HD1 LEU 40 -10.208 4.280 -0.359 288 1HD2 LEU 40 1HD2 LEU 40 -11.990 6.463 0.935 289 2HD2 LEU 40 2HD2 LEU 40 -13.401 6.142 -0.099 290 3HD2 LEU 40 3HD2 LEU 40 -12.449 4.792 0.542 291 H SER 41 H SER 41 -9.066 8.453 -3.329 292 HA SER 41 HA SER 41 -7.881 6.468 -5.145 293 1HB SER 41 1HB SER 41 -7.997 8.967 -5.596 294 2HB SER 41 2HB SER 41 -6.833 9.193 -4.276 295 HG SER 41 HG SER 41 -6.469 7.650 -6.626 296 HA PRO 42 HA PRO 42 -5.479 4.859 -1.776 297 1HB PRO 42 1HB PRO 42 -3.617 3.357 -3.002 298 2HB PRO 42 2HB PRO 42 -5.343 3.068 -3.286 299 1HG PRO 42 1HG PRO 42 -3.517 4.766 -5.019 300 2HG PRO 42 2HG PRO 42 -4.514 3.390 -5.544 301 1HD PRO 42 1HD PRO 42 -5.425 5.909 -5.743 302 2HD PRO 42 2HD PRO 42 -6.527 4.611 -5.220 303 H HIS 43 H HIS 43 -4.849 7.259 -1.310 304 HA HIS 43 HA HIS 43 -1.895 7.523 -1.245 305 1HB HIS 43 1HB HIS 43 -3.792 9.574 -2.468 306 2HB HIS 43 2HB HIS 43 -2.063 9.824 -2.188 307 HD1 HIS 43 HD1 HIS 43 -4.418 8.141 -4.631 308 HD2 HIS 43 HD2 HIS 43 -0.319 8.385 -3.722 309 HE1 HIS 43 HE1 HIS 43 -3.167 7.097 -6.601 310 H TYR 44 H TYR 44 -1.482 9.777 -0.195 311 HA TYR 44 HA TYR 44 -1.842 11.393 1.216 312 1HB TYR 44 1HB TYR 44 -3.716 12.011 2.060 313 2HB TYR 44 2HB TYR 44 -4.441 10.681 1.234 314 HD1 TYR 44 HD1 TYR 44 -3.040 11.899 4.458 315 HD2 TYR 44 HD2 TYR 44 -5.612 8.967 2.611 316 HE1 TYR 44 HE1 TYR 44 -3.804 11.156 6.689 317 HE2 TYR 44 HE2 TYR 44 -6.376 8.238 4.836 318 HH TYR 44 HH TYR 44 -6.152 8.488 7.117 319 H VAL 45 H VAL 45 -2.053 8.086 2.564 320 HA VAL 45 HA VAL 45 -0.299 8.880 4.817 321 HB VAL 45 HB VAL 45 -1.572 6.210 4.120 322 1HG1 VAL 45 1HG1 VAL 45 0.057 7.063 6.547 323 2HG1 VAL 45 2HG1 VAL 45 -0.891 5.567 6.423 324 3HG1 VAL 45 3HG1 VAL 45 0.495 5.812 5.360 325 1HG2 VAL 45 1HG2 VAL 45 -2.222 8.339 6.211 326 2HG2 VAL 45 2HG2 VAL 45 -3.224 7.850 4.827 327 3HG2 VAL 45 3HG2 VAL 45 -2.953 6.724 6.160 328 H GLU 46 H GLU 46 1.818 8.470 4.892 329 HA GLU 46 HA GLU 46 2.937 6.237 3.469 330 1HB GLU 46 1HB GLU 46 4.671 7.324 2.252 331 2HB GLU 46 2HB GLU 46 3.150 8.079 1.795 332 1HG GLU 46 1HG GLU 46 4.522 9.907 2.038 333 2HG GLU 46 2HG GLU 46 3.693 9.880 3.580 334 H PHE 47 H PHE 47 5.376 6.034 4.155 335 HA PHE 47 HA PHE 47 5.975 7.221 6.740 336 1HB PHE 47 1HB PHE 47 4.316 5.559 7.406 337 2HB PHE 47 2HB PHE 47 5.133 4.310 6.484 338 HD1 PHE 47 HD1 PHE 47 5.451 6.572 9.439 339 HD2 PHE 47 HD2 PHE 47 6.897 3.017 7.473 340 HE1 PHE 47 HE1 PHE 47 6.719 5.955 11.480 341 HE2 PHE 47 HE2 PHE 47 8.132 2.387 9.528 342 HZ PHE 47 1HZ PHE 47 8.042 3.858 11.535 343 HA PRO 48 HA PRO 48 9.976 6.045 4.940 344 1HB PRO 48 1HB PRO 48 11.639 6.653 7.031 345 2HB PRO 48 2HB PRO 48 10.883 7.887 5.983 346 1HG PRO 48 1HG PRO 48 9.918 6.939 8.691 347 2HG PRO 48 2HG PRO 48 10.122 8.620 8.122 348 1HD PRO 48 1HD PRO 48 7.722 7.378 8.087 349 2HD PRO 48 2HD PRO 48 8.184 8.481 6.758 350 H ILE 49 H ILE 49 10.206 3.907 4.701 351 HA ILE 49 HA ILE 49 8.979 2.119 6.358 352 HB ILE 49 HB ILE 49 9.436 1.913 3.931 353 1HG1 ILE 49 1HG1 ILE 49 10.215 -0.569 5.532 354 2HG1 ILE 49 2HG1 ILE 49 8.559 0.060 5.339 355 1HG2 ILE 49 1HG2 ILE 49 11.916 2.415 4.096 356 2HG2 ILE 49 2HG2 ILE 49 12.153 0.765 4.692 357 3HG2 ILE 49 3HG2 ILE 49 11.499 1.042 3.067 358 1HD1 ILE 49 1HD1 ILE 49 8.855 -0.154 2.844 359 2HD1 ILE 49 2HD1 ILE 49 10.404 -0.984 3.150 360 3HD1 ILE 49 3HD1 ILE 49 8.886 -1.695 3.721 361 H LYS 50 H LYS 50 9.543 0.492 7.738 362 HA LYS 50 HA LYS 50 12.334 0.305 8.781 363 1HB LYS 50 1HB LYS 50 9.771 0.461 10.401 364 2HB LYS 50 2HB LYS 50 11.366 -0.003 11.028 365 1HG LYS 50 1HG LYS 50 12.275 2.207 10.314 366 2HG LYS 50 2HG LYS 50 10.656 2.678 9.760 367 1HD LYS 50 1HD LYS 50 9.788 2.323 12.074 368 2HD LYS 50 2HD LYS 50 11.440 1.961 12.615 369 1HE LYS 50 1HE LYS 50 12.182 4.210 11.908 370 2HE LYS 50 2HE LYS 50 10.552 4.577 11.307 371 1HZ LYS 50 1HZ LYS 50 11.252 3.990 14.094 372 2HZ LYS 50 2HZ LYS 50 10.922 5.479 13.469 373 3HZ LYS 50 3HZ LYS 50 9.740 4.332 13.530 374 HA PRO 51 HA PRO 51 10.464 -3.624 7.251 375 1HB PRO 51 1HB PRO 51 12.627 -4.734 6.031 376 2HB PRO 51 2HB PRO 51 11.763 -3.330 5.336 377 1HG PRO 51 1HG PRO 51 14.261 -3.279 7.048 378 2HG PRO 51 2HG PRO 51 14.011 -2.505 5.455 379 1HD PRO 51 1HD PRO 51 13.680 -1.147 7.784 380 2HD PRO 51 2HD PRO 51 12.596 -0.845 6.393 381 H GLY 52 H GLY 52 10.756 -5.891 7.791 382 1HA GLY 52 1HA GLY 52 12.291 -7.448 9.150 383 2HA GLY 52 2HA GLY 52 12.051 -6.276 10.456 384 H THR 53 H THR 53 9.274 -5.642 9.676 385 HA THR 53 HA THR 53 7.946 -7.654 11.221 386 HB THR 53 1HB THR 53 7.414 -5.245 11.286 387 HG1 THR 53 HG1 THR 53 5.888 -6.823 11.889 388 1HG2 THR 53 1HG2 THR 53 6.126 -5.654 8.545 389 2HG2 THR 53 2HG2 THR 53 6.047 -4.200 9.552 390 H THR 54 H THR 54 6.044 -8.876 10.556 391 HA THR 54 HA THR 54 6.423 -10.319 8.078 392 HB THR 54 HB THR 54 4.429 -11.581 8.824 393 HG1 THR 54 HG1 THR 54 3.553 -11.037 10.849 394 1HG2 THR 54 1HG2 THR 54 5.409 -12.549 10.833 395 2HG2 THR 54 2HG2 THR 54 6.680 -12.206 9.643 396 H LEU 55 H LEU 55 4.512 -10.759 6.623 397 HA LEU 55 HA LEU 55 2.676 -8.550 6.162 398 1HB LEU 55 1HB LEU 55 5.140 -8.054 5.211 399 2HB LEU 55 2HB LEU 55 4.626 -9.122 3.924 400 HG LEU 55 HG LEU 55 4.264 -6.895 3.225 401 1HD1 LEU 55 1HD1 LEU 55 2.393 -8.465 2.708 402 2HD1 LEU 55 2HD1 LEU 55 1.499 -7.805 4.099 403 3HD1 LEU 55 3HD1 LEU 55 1.916 -6.755 2.740 404 1HD2 LEU 55 1HD2 LEU 55 4.353 -5.787 5.423 405 2HD2 LEU 55 2HD2 LEU 55 3.000 -5.204 4.439 406 3HD2 LEU 55 3HD2 LEU 55 2.699 -6.324 5.777 407 H THR 56 H THR 56 0.862 -9.498 5.536 408 HA THR 56 HA THR 56 0.589 -11.524 3.527 409 HB THR 56 HB THR 56 1.376 -13.087 5.106 410 HG1 THR 56 HG1 THR 56 -0.449 -14.297 5.621 411 1HG2 THR 56 1HG2 THR 56 0.458 -13.308 7.425 412 2HG2 THR 56 2HG2 THR 56 1.378 -11.819 7.198 413 H LYS 57 H LYS 57 -1.929 -12.345 3.798 414 HA LYS 57 HA LYS 57 -3.447 -10.044 3.322 415 1HB LYS 57 1HB LYS 57 -3.989 -12.273 2.456 416 2HB LYS 57 2HB LYS 57 -4.460 -12.809 4.082 417 1HG LYS 57 1HG LYS 57 -6.229 -11.087 4.152 418 2HG LYS 57 2HG LYS 57 -5.716 -10.467 2.570 419 1HD LYS 57 1HD LYS 57 -6.289 -12.645 1.540 420 2HD LYS 57 2HD LYS 57 -6.828 -13.256 3.117 421 1HE LYS 57 1HE LYS 57 -8.003 -10.831 1.677 422 2HE LYS 57 2HE LYS 57 -8.703 -12.460 1.667 423 1HZ LYS 57 1HZ LYS 57 -8.927 -12.303 4.041 424 2HZ LYS 57 2HZ LYS 57 -8.309 -10.773 4.035 425 3HZ LYS 57 3HZ LYS 57 -9.741 -11.085 3.286 426 H GLU 58 H GLU 58 -3.328 -12.080 6.291 427 HA GLU 58 HA GLU 58 -5.156 -10.485 7.802 428 1HB GLU 58 1HB GLU 58 -4.318 -11.688 9.740 429 2HB GLU 58 2HB GLU 58 -4.710 -12.770 8.397 430 1HG GLU 58 1HG GLU 58 -2.302 -12.963 7.836 431 2HG GLU 58 2HG GLU 58 -1.898 -11.878 9.182 432 H LYS 59 H LYS 59 -1.665 -10.232 7.212 433 HA LYS 59 HA LYS 59 -1.463 -7.927 9.069 434 1HB LYS 59 1HB LYS 59 0.061 -9.956 9.299 435 2HB LYS 59 2HB LYS 59 0.772 -9.492 7.756 436 1HG LYS 59 1HG LYS 59 2.189 -8.647 9.426 437 2HG LYS 59 2HG LYS 59 1.335 -7.223 8.835 438 1HD LYS 59 1HD LYS 59 -0.212 -7.367 10.800 439 2HD LYS 59 2HD LYS 59 0.668 -8.791 11.374 440 1HE LYS 59 1HE LYS 59 1.905 -6.034 10.938 441 2HE LYS 59 2HE LYS 59 1.311 -6.643 12.494 442 1HZ LYS 59 1HZ LYS 59 2.895 -8.421 12.335 443 2HZ LYS 59 2HZ LYS 59 3.466 -7.837 10.903 444 3HZ LYS 59 3HZ LYS 59 3.646 -6.954 12.281 445 H ILE 60 H ILE 60 -2.912 -7.255 6.972 446 HA ILE 60 HA ILE 60 -1.360 -5.108 5.940 447 HB ILE 60 HB ILE 60 -0.957 -7.089 4.281 448 1HG1 ILE 60 1HG1 ILE 60 -0.032 -4.996 3.827 449 2HG1 ILE 60 2HG1 ILE 60 -0.826 -5.615 2.346 450 1HG2 ILE 60 1HG2 ILE 60 -3.302 -7.730 3.947 451 2HG2 ILE 60 2HG2 ILE 60 -3.631 -6.178 3.161 452 3HG2 ILE 60 3HG2 ILE 60 -2.483 -7.315 2.442 453 1HD1 ILE 60 1HD1 ILE 60 -2.799 -4.071 2.941 454 2HD1 ILE 60 2HD1 ILE 60 -1.711 -3.348 4.159 455 3HD1 ILE 60 3HD1 ILE 60 -1.294 -3.285 2.448 456 H GLU 61 H GLU 61 -4.394 -7.001 5.813 457 HA GLU 61 HA GLU 61 -6.134 -4.986 4.985 458 1HB GLU 61 1HB GLU 61 -7.914 -6.336 5.856 459 2HB GLU 61 2HB GLU 61 -6.702 -7.342 5.053 460 1HG GLU 61 1HG GLU 61 -5.781 -7.929 7.336 461 2HG GLU 61 2HG GLU 61 -7.124 -7.029 8.056 462 H TYR 62 H TYR 62 -5.066 -5.803 8.318 463 HA TYR 62 HA TYR 62 -6.674 -3.944 9.697 464 1HB TYR 62 1HB TYR 62 -5.376 -4.400 11.548 465 2HB TYR 62 2HB TYR 62 -5.235 -5.878 10.610 466 HD1 TYR 62 HD1 TYR 62 -3.077 -6.020 9.026 467 HD2 TYR 62 HD2 TYR 62 -3.455 -3.334 12.373 468 HE1 TYR 62 HE1 TYR 62 -0.666 -5.443 8.855 469 HE2 TYR 62 HE2 TYR 62 -1.062 -2.757 12.189 470 HH TYR 62 HH TYR 62 1.043 -4.132 9.635 471 H TYR 63 H TYR 63 -3.546 -3.604 8.065 472 HA TYR 63 HA TYR 63 -2.747 -1.199 9.231 473 1HB TYR 63 1HB TYR 63 -1.588 -3.115 7.715 474 2HB TYR 63 2HB TYR 63 -1.834 -1.942 6.444 475 HD1 TYR 63 HD1 TYR 63 -1.217 0.387 8.822 476 HD2 TYR 63 HD2 TYR 63 0.765 -3.009 7.031 477 HE1 TYR 63 HE1 TYR 63 0.968 1.369 9.371 478 HE2 TYR 63 HE2 TYR 63 2.959 -2.002 7.575 479 HH TYR 63 HH TYR 63 3.257 1.161 9.235 480 H VAL 64 H VAL 64 -4.253 -1.886 6.050 481 HA VAL 64 HA VAL 64 -4.433 0.858 5.226 482 HB VAL 64 HB VAL 64 -5.760 0.008 3.379 483 1HG1 VAL 64 1HG1 VAL 64 -3.229 -1.564 4.010 484 2HG1 VAL 64 2HG1 VAL 64 -3.977 -1.495 2.411 485 3HG1 VAL 64 3HG1 VAL 64 -3.353 -0.015 3.153 486 1HG2 VAL 64 1HG2 VAL 64 -5.562 -2.711 4.723 487 2HG2 VAL 64 2HG2 VAL 64 -7.048 -1.795 4.411 488 3HG2 VAL 64 3HG2 VAL 64 -6.097 -2.439 3.069 489 H GLU 65 H GLU 65 -6.660 -1.321 6.955 490 HA GLU 65 HA GLU 65 -8.988 0.331 6.760 491 1HB GLU 65 1HB GLU 65 -8.034 -1.723 8.782 492 2HB GLU 65 2HB GLU 65 -9.534 -0.806 9.007 493 1HG GLU 65 1HG GLU 65 -10.464 -1.610 6.932 494 2HG GLU 65 2HG GLU 65 -8.968 -2.438 6.502 495 H TRP 66 H TRP 66 -6.302 0.211 9.181 496 HA TRP 66 HA TRP 66 -7.294 2.376 10.762 497 1HB TRP 66 1HB TRP 66 -4.457 1.406 10.453 498 2HB TRP 66 2HB TRP 66 -5.101 2.392 11.766 499 HD1 TRP 66 HD1 TRP 66 -3.604 -0.090 12.511 500 HE1 TRP 66 HE1 TRP 66 -4.642 -2.121 13.622 501 HE3 TRP 66 HE3 TRP 66 -8.558 0.644 11.208 502 HZ2 TRP 66 HZ2 TRP 66 -7.229 -3.366 13.825 503 HZ3 TRP 66 HZ3 TRP 66 -10.231 -1.023 11.824 504 HH2 TRP 66 HH2 TRP 66 -9.599 -3.039 13.128 505 H ALA 67 H ALA 67 -5.249 2.301 7.843 506 HA ALA 67 HA ALA 67 -4.323 4.976 7.947 507 1HB ALA 67 1HB ALA 67 -3.357 3.265 6.474 508 2HB ALA 67 2HB ALA 67 -4.857 3.211 5.524 509 3HB ALA 67 3HB ALA 67 -3.884 4.684 5.547 510 H LEU 68 H LEU 68 -7.148 3.576 6.155 511 HA LEU 68 HA LEU 68 -8.075 6.191 5.380 512 1HB LEU 68 1HB LEU 68 -9.810 5.099 4.209 513 2HB LEU 68 2HB LEU 68 -8.310 4.208 3.998 514 HG LEU 68 HG LEU 68 -9.279 2.751 6.028 515 1HD1 LEU 68 1HD1 LEU 68 -11.805 3.792 4.655 516 2HD1 LEU 68 2HD1 LEU 68 -11.720 2.446 5.807 517 3HD1 LEU 68 3HD1 LEU 68 -11.371 4.089 6.348 518 1HD2 LEU 68 1HD2 LEU 68 -10.213 2.518 3.143 519 2HD2 LEU 68 2HD2 LEU 68 -8.695 1.888 3.821 520 3HD2 LEU 68 3HD2 LEU 68 -10.241 1.213 4.351 521 H ASP 69 H ASP 69 -8.491 4.385 8.305 522 HA ASP 69 HA ASP 69 -11.047 5.599 9.044 523 1HB ASP 69 1HB ASP 69 -9.004 3.928 10.547 524 2HB ASP 69 2HB ASP 69 -10.434 4.615 11.311 525 H ALA 70 H ALA 70 -10.208 7.720 8.403 526 HA ALA 70 HA ALA 70 -9.924 9.332 10.724 527 1HB ALA 70 1HB ALA 70 -7.522 9.242 8.839 528 2HB ALA 70 2HB ALA 70 -7.816 10.511 10.046 529 3HB ALA 70 3HB ALA 70 -7.517 8.845 10.568 530 H THR 71 H THR 71 -9.200 9.223 7.225 531 HA THR 71 HA THR 71 -10.538 11.774 6.685 532 HB THR 71 1HB THR 71 -9.642 11.410 4.418 533 HG1 THR 71 HG1 THR 71 -9.730 9.137 4.386 534 1HG2 THR 71 1HG2 THR 71 -7.588 10.932 6.622 535 2HG2 THR 71 2HG2 THR 71 -7.260 11.536 4.990 536 H ALA 72 H ALA 72 -11.051 8.294 6.150 537 HA ALA 72 HA ALA 72 -13.811 8.836 5.141 538 1HB ALA 72 1HB ALA 72 -11.887 6.634 4.299 539 2HB ALA 72 2HB ALA 72 -13.588 6.787 3.800 540 3HB ALA 72 3HB ALA 72 -12.404 8.017 3.317 541 H TYR 73 H TYR 73 -14.230 8.848 7.520 542 HA TYR 73 HA TYR 73 -14.122 6.148 8.769 543 1HB TYR 73 1HB TYR 73 -12.267 7.636 9.404 544 2HB TYR 73 2HB TYR 73 -13.421 8.819 10.003 545 HD1 TYR 73 HD1 TYR 73 -12.983 5.061 10.375 546 HD2 TYR 73 HD2 TYR 73 -13.434 8.868 12.362 547 HE1 TYR 73 HE1 TYR 73 -12.978 3.920 12.559 548 HE2 TYR 73 HE2 TYR 73 -13.413 7.716 14.552 549 HH TYR 73 HH TYR 73 -13.096 4.156 14.845 550 H LYS 74 H LYS 74 -16.074 8.981 8.195 551 HA LYS 74 HA LYS 74 -17.596 9.073 10.523 552 1HB LYS 74 1HB LYS 74 -17.455 10.776 8.760 553 2HB LYS 74 2HB LYS 74 -18.446 9.769 7.693 554 1HG LYS 74 1HG LYS 74 -20.323 9.938 9.331 555 2HG LYS 74 2HG LYS 74 -19.299 10.956 10.368 556 1HD LYS 74 1HD LYS 74 -19.085 12.610 8.532 557 2HD LYS 74 2HD LYS 74 -20.069 11.577 7.476 558 1HE LYS 74 1HE LYS 74 -21.984 11.806 9.034 559 2HE LYS 74 2HE LYS 74 -21.003 12.845 10.088 560 1HZ LYS 74 1HZ LYS 74 -21.717 13.420 7.300 561 2HZ LYS 74 2HZ LYS 74 -22.396 14.111 8.635 562 3HZ LYS 74 3HZ LYS 74 -20.809 14.386 8.281 563 H GLU 75 H GLU 75 -18.112 7.049 7.618 564 HA GLU 75 HA GLU 75 -20.090 5.379 9.055 565 1HB GLU 75 1HB GLU 75 -20.547 6.739 6.359 566 2HB GLU 75 2HB GLU 75 -21.476 5.355 6.952 567 1HG GLU 75 1HG GLU 75 -21.326 8.093 8.280 568 2HG GLU 75 2HG GLU 75 -22.645 7.495 7.274 569 H PHE 76 H PHE 76 -18.765 5.795 5.774 570 HA PHE 76 HA PHE 76 -18.136 4.297 4.243 571 1HB PHE 76 1HB PHE 76 -15.875 3.853 4.399 572 2HB PHE 76 2HB PHE 76 -16.163 5.351 5.265 573 HD1 PHE 76 HD1 PHE 76 -16.394 5.134 7.911 574 HD2 PHE 76 HD2 PHE 76 -14.477 2.238 5.364 575 HE1 PHE 76 HE1 PHE 76 -15.446 4.004 9.906 576 HE2 PHE 76 HE2 PHE 76 -13.462 1.166 7.355 577 HZ PHE 76 1HZ PHE 76 -13.985 2.016 9.631 578 H ARG 77 H ARG 77 -19.713 2.705 4.016 579 HA ARG 77 HA ARG 77 -19.710 0.300 5.638 580 1HB ARG 77 1HB ARG 77 -21.748 1.149 4.547 581 2HB ARG 77 2HB ARG 77 -21.011 0.879 2.960 582 1HG ARG 77 1HG ARG 77 -20.797 -1.575 3.532 583 2HG ARG 77 2HG ARG 77 -21.682 -1.248 5.034 584 1HD ARG 77 1HD ARG 77 -23.621 -0.472 3.711 585 2HD ARG 77 2HD ARG 77 -22.685 -0.678 2.214 586 HE ARG 77 HE ARG 77 -22.840 -3.092 3.828 587 1HH1 ARG 77 1HH1 ARG 77 -24.546 -1.208 1.328 588 2HH1 ARG 77 2HH1 ARG 77 -25.389 -2.606 0.704 589 1HH2 ARG 77 1HH2 ARG 77 -23.958 -4.881 2.988 590 2HH2 ARG 77 2HH2 ARG 77 -25.062 -4.684 1.645 591 H VAL 78 H VAL 78 -17.900 -0.962 5.557 592 HA VAL 78 HA VAL 78 -16.505 -1.492 3.006 593 HB VAL 78 HB VAL 78 -15.943 -2.543 5.810 594 1HG1 VAL 78 1HG1 VAL 78 -14.274 -2.508 3.252 595 2HG1 VAL 78 2HG1 VAL 78 -13.712 -3.056 4.844 596 3HG1 VAL 78 3HG1 VAL 78 -14.989 -3.947 4.008 597 1HG2 VAL 78 1HG2 VAL 78 -14.729 -0.174 4.328 598 2HG2 VAL 78 2HG2 VAL 78 -15.680 -0.119 5.828 599 3HG2 VAL 78 3HG2 VAL 78 -14.089 -0.885 5.822 600 H VAL 79 H VAL 79 -17.235 -3.129 1.736 601 HA VAL 79 HA VAL 79 -18.972 -5.252 2.769 602 HB VAL 79 HB VAL 79 -17.693 -4.831 0.043 603 1HG1 VAL 79 1HG1 VAL 79 -19.814 -6.821 0.962 604 2HG1 VAL 79 2HG1 VAL 79 -19.326 -6.535 -0.722 605 3HG1 VAL 79 3HG1 VAL 79 -18.171 -7.227 0.421 606 1HG2 VAL 79 1HG2 VAL 79 -20.525 -4.337 1.050 607 2HG2 VAL 79 2HG2 VAL 79 -19.350 -3.090 0.576 608 3HG2 VAL 79 3HG2 VAL 79 -19.990 -4.206 -0.637 609 H GLU 80 H GLU 80 -15.896 -5.444 0.900 610 HA GLU 80 HA GLU 80 -14.399 -6.655 2.993 611 1HB GLU 80 1HB GLU 80 -15.913 -8.608 2.367 612 2HB GLU 80 2HB GLU 80 -15.208 -8.561 0.747 613 1HG GLU 80 1HG GLU 80 -12.976 -9.053 1.723 614 2HG GLU 80 2HG GLU 80 -13.656 -8.955 3.351 615 H LEU 81 H LEU 81 -12.210 -6.760 2.436 616 HA LEU 81 HA LEU 81 -11.305 -5.246 0.194 617 1HB LEU 81 1HB LEU 81 -9.079 -5.884 0.857 618 2HB LEU 81 2HB LEU 81 -9.997 -5.314 2.242 619 HG LEU 81 HG LEU 81 -9.897 -8.306 1.771 620 1HD1 LEU 81 1HD1 LEU 81 -7.541 -6.676 2.788 621 2HD1 LEU 81 2HD1 LEU 81 -7.689 -8.447 2.870 622 3HD1 LEU 81 3HD1 LEU 81 -7.595 -7.641 1.298 623 1HD2 LEU 81 1HD2 LEU 81 -9.684 -6.536 4.251 624 2HD2 LEU 81 2HD2 LEU 81 -11.104 -7.481 3.767 625 3HD2 LEU 81 3HD2 LEU 81 -9.628 -8.308 4.256 626 H ASP 82 H ASP 82 -9.913 -5.989 -1.578 627 HA ASP 82 HA ASP 82 -10.899 -8.396 -2.839 628 1HB ASP 82 1HB ASP 82 -8.626 -6.516 -3.578 629 2HB ASP 82 2HB ASP 82 -9.108 -7.918 -4.526 630 HA PRO 83 HA PRO 83 -8.064 -11.054 -0.665 631 1HB PRO 83 1HB PRO 83 -8.099 -13.313 -2.208 632 2HB PRO 83 2HB PRO 83 -9.495 -12.768 -1.236 633 1HG PRO 83 1HG PRO 83 -9.000 -12.262 -4.182 634 2HG PRO 83 2HG PRO 83 -10.483 -12.902 -3.415 635 1HD PRO 83 1HD PRO 83 -10.232 -10.273 -4.038 636 2HD PRO 83 2HD PRO 83 -11.038 -10.772 -2.518 637 H SER 84 H SER 84 -7.546 -10.435 -4.135 638 HA SER 84 HA SER 84 -4.717 -11.223 -4.047 639 1HB SER 84 1HB SER 84 -6.456 -10.056 -6.256 640 2HB SER 84 2HB SER 84 -4.785 -10.640 -6.437 641 HG SER 84 HG SER 84 -5.528 -12.685 -5.719 642 H ALA 85 H ALA 85 -4.449 -9.561 -2.220 643 HA ALA 85 HA ALA 85 -4.090 -6.786 -3.036 644 1HB ALA 85 1HB ALA 85 -4.583 -7.410 -0.695 645 2HB ALA 85 2HB ALA 85 -3.059 -8.293 -0.598 646 3HB ALA 85 3HB ALA 85 -3.040 -6.541 -0.828 647 H LYS 86 H LYS 86 -1.764 -5.839 -2.725 648 HA LYS 86 HA LYS 86 0.342 -7.528 -3.876 649 1HB LYS 86 1HB LYS 86 0.411 -5.964 -5.919 650 2HB LYS 86 2HB LYS 86 -0.813 -7.240 -5.902 651 1HG LYS 86 1HG LYS 86 -2.590 -5.763 -5.526 652 2HG LYS 86 2HG LYS 86 -1.545 -4.545 -4.792 653 1HD LYS 86 1HD LYS 86 -2.333 -3.757 -6.931 654 2HD LYS 86 2HD LYS 86 -0.578 -3.962 -6.934 655 1HE LYS 86 1HE LYS 86 -0.816 -6.098 -8.163 656 2HE LYS 86 2HE LYS 86 -2.584 -5.925 -8.116 657 1HZ LYS 86 1HZ LYS 86 -0.710 -4.072 -9.411 658 2HZ LYS 86 2HZ LYS 86 -1.653 -5.182 -10.185 659 3HZ LYS 86 3HZ LYS 86 -2.351 -3.919 -9.385 660 H ILE 87 H ILE 87 2.308 -6.719 -3.821 661 HA ILE 87 HA ILE 87 2.851 -4.037 -2.624 662 HB ILE 87 HB ILE 87 4.457 -6.632 -2.768 663 1HG1 ILE 87 1HG1 ILE 87 4.614 -6.428 -0.336 664 2HG1 ILE 87 2HG1 ILE 87 3.591 -4.953 -0.384 665 1HG2 ILE 87 1HG2 ILE 87 5.338 -3.851 -1.894 666 2HG2 ILE 87 2HG2 ILE 87 6.245 -5.340 -1.559 667 3HG2 ILE 87 3HG2 ILE 87 6.020 -4.814 -3.222 668 1HD1 ILE 87 1HD1 ILE 87 2.641 -7.698 -1.320 669 2HD1 ILE 87 2HD1 ILE 87 2.479 -7.128 0.351 670 3HD1 ILE 87 3HD1 ILE 87 1.652 -6.261 -0.936 671 H GLU 88 H GLU 88 3.510 -2.558 -4.127 672 HA GLU 88 HA GLU 88 4.739 -3.497 -6.704 673 1HB GLU 88 1HB GLU 88 2.875 -1.160 -6.173 674 2HB GLU 88 2HB GLU 88 3.724 -1.477 -7.695 675 1HG GLU 88 1HG GLU 88 2.586 -3.694 -7.835 676 2HG GLU 88 2HG GLU 88 1.676 -3.297 -6.370 677 H VAL 89 H VAL 89 6.608 -3.448 -5.046 678 HA VAL 89 HA VAL 89 7.550 -0.909 -4.191 679 HB VAL 89 HB VAL 89 8.056 -2.912 -2.981 680 1HG1 VAL 89 1HG1 VAL 89 8.350 -4.533 -4.855 681 2HG1 VAL 89 2HG1 VAL 89 9.913 -3.772 -5.234 682 3HG1 VAL 89 3HG1 VAL 89 9.667 -4.574 -3.678 683 1HG2 VAL 89 1HG2 VAL 89 9.557 -0.968 -2.776 684 2HG2 VAL 89 2HG2 VAL 89 10.425 -2.498 -2.543 685 3HG2 VAL 89 3HG2 VAL 89 10.587 -1.611 -4.069 686 H THR 90 H THR 90 8.451 0.658 -5.278 687 HA THR 90 HA THR 90 9.579 0.124 -7.982 688 HB THR 90 HB THR 90 8.324 2.671 -6.889 689 HG1 THR 90 HG1 THR 90 7.261 0.680 -8.595 690 1HG2 THR 90 1HG2 THR 90 9.220 1.725 -9.655 691 2HG2 THR 90 2HG2 THR 90 8.204 3.146 -9.375 692 H TYR 91 H TYR 91 11.712 -0.123 -7.663 693 HA TYR 91 HA TYR 91 13.221 1.731 -5.923 694 1HB TYR 91 1HB TYR 91 15.092 0.066 -6.932 695 2HB TYR 91 2HB TYR 91 14.192 -0.160 -5.444 696 HD1 TYR 91 HD1 TYR 91 14.231 -1.202 -9.043 697 HD2 TYR 91 HD2 TYR 91 12.830 -2.024 -5.048 698 HE1 TYR 91 HE1 TYR 91 13.827 -3.568 -9.662 699 HE2 TYR 91 HE2 TYR 91 12.331 -4.357 -5.705 700 HH TYR 91 HH TYR 91 13.111 -5.630 -8.965 701 H TYR 92 H TYR 92 13.356 3.649 -6.872 702 HA TYR 92 HA TYR 92 14.133 3.940 -9.717 703 1HB TYR 92 1HB TYR 92 13.564 6.351 -9.284 704 2HB TYR 92 2HB TYR 92 12.252 5.199 -9.181 705 HD1 TYR 92 HD1 TYR 92 14.408 7.470 -7.154 706 HD2 TYR 92 HD2 TYR 92 11.014 4.811 -7.172 707 HE1 TYR 92 HE1 TYR 92 13.835 8.186 -4.863 708 HE2 TYR 92 HE2 TYR 92 10.477 5.484 -4.856 709 HH TYR 92 HH TYR 92 12.421 7.913 -3.069 710 H ASP 93 H ASP 93 16.154 2.801 -8.329 711 HA ASP 93 HA ASP 93 18.083 4.688 -7.319 712 1HB ASP 93 1HB ASP 93 18.182 2.423 -6.637 713 2HB ASP 93 2HB ASP 93 18.223 1.829 -8.296 714 H LYS 94 H LYS 94 18.738 6.297 -8.588 715 HA LYS 94 HA LYS 94 18.796 6.354 -11.394 716 1HB LYS 94 1HB LYS 94 18.666 8.314 -9.891 717 2HB LYS 94 2HB LYS 94 20.298 7.972 -9.313 718 1HG LYS 94 1HG LYS 94 20.398 9.806 -10.783 719 2HG LYS 94 2HG LYS 94 21.203 8.480 -11.600 720 1HD LYS 94 1HD LYS 94 18.262 9.042 -12.152 721 2HD LYS 94 2HD LYS 94 19.500 10.117 -12.811 722 1HE LYS 94 1HE LYS 94 20.617 8.193 -13.916 723 2HE LYS 94 2HE LYS 94 19.292 7.137 -13.389 724 1HZ LYS 94 1HZ LYS 94 19.015 9.498 -15.091 725 2HZ LYS 94 2HZ LYS 94 18.960 7.925 -15.585 726 3HZ LYS 94 3HZ LYS 94 17.785 8.519 -14.592 727 H ASN 95 H ASN 95 21.205 5.315 -9.021 728 HA ASN 95 HA ASN 95 23.565 5.764 -10.356 729 1HB ASN 95 1HB ASN 95 22.887 3.532 -8.405 730 2HB ASN 95 2HB ASN 95 24.517 3.974 -8.914 731 1HD2 ASN 95 1HD2 ASN 95 22.444 6.445 -6.319 732 2HD2 ASN 95 2HD2 ASN 95 21.600 5.209 -7.227 733 H LYS 96 H LYS 96 21.638 2.687 -10.530 734 HA LYS 96 HA LYS 96 22.843 2.138 -13.147 735 1HB LYS 96 1HB LYS 96 23.865 0.050 -12.557 736 2HB LYS 96 2HB LYS 96 24.561 1.359 -11.615 737 1HG LYS 96 1HG LYS 96 24.334 -0.070 -9.883 738 2HG LYS 96 2HG LYS 96 22.696 0.562 -9.823 739 1HD LYS 96 1HD LYS 96 22.450 -1.774 -9.695 740 2HD LYS 96 2HD LYS 96 22.066 -1.429 -11.387 741 1HE LYS 96 1HE LYS 96 24.400 -2.079 -12.022 742 2HE LYS 96 2HE LYS 96 24.739 -2.431 -10.317 743 1HZ LYS 96 1HZ LYS 96 23.024 -4.081 -10.389 744 2HZ LYS 96 2HZ LYS 96 22.709 -3.745 -11.972 745 3HZ LYS 96 3HZ LYS 96 24.167 -4.381 -11.539 746 H LYS 97 H LYS 97 20.634 0.994 -10.558 747 HA LYS 97 HA LYS 97 19.649 -1.164 -12.096 748 1HB LYS 97 1HB LYS 97 19.616 -0.949 -9.610 749 2HB LYS 97 2HB LYS 97 18.278 0.207 -9.771 750 1HG LYS 97 1HG LYS 97 16.970 -1.555 -11.009 751 2HG LYS 97 2HG LYS 97 18.277 -2.705 -10.685 752 1HD LYS 97 1HD LYS 97 16.639 -1.212 -8.582 753 2HD LYS 97 2HD LYS 97 16.350 -2.875 -9.138 754 1HE LYS 97 1HE LYS 97 18.612 -3.519 -8.343 755 2HE LYS 97 2HE LYS 97 18.819 -1.890 -7.658 756 1HZ LYS 97 1HZ LYS 97 16.715 -3.794 -6.933 757 2HZ LYS 97 2HZ LYS 97 18.051 -3.432 -6.035 758 3HZ LYS 97 3HZ LYS 97 16.902 -2.280 -6.307 759 H LYS 98 H LYS 98 18.252 2.067 -11.460 760 HA LYS 98 HA LYS 98 16.853 3.365 -12.626 761 1HB LYS 98 1HB LYS 98 17.719 2.048 -14.729 762 2HB LYS 98 2HB LYS 98 16.162 1.212 -14.622 763 1HG LYS 98 1HG LYS 98 15.132 3.641 -14.642 764 2HG LYS 98 2HG LYS 98 16.755 4.142 -15.115 765 1HD LYS 98 1HD LYS 98 15.537 3.889 -17.121 766 2HD LYS 98 2HD LYS 98 16.551 2.438 -17.039 767 1HE LYS 98 1HE LYS 98 14.589 1.141 -16.191 768 2HE LYS 98 2HE LYS 98 13.613 2.621 -16.184 769 1HZ LYS 98 1HZ LYS 98 13.898 2.744 -18.539 770 2HZ LYS 98 2HZ LYS 98 14.807 1.366 -18.546 771 3HZ LYS 98 3HZ LYS 98 13.219 1.305 -18.104 772 H GLU 99 H GLU 99 14.574 3.697 -12.756 773 HA GLU 99 HA GLU 99 12.808 2.627 -10.955 774 1HB GLU 99 1HB GLU 99 12.574 4.694 -12.248 775 2HB GLU 99 2HB GLU 99 12.262 3.778 -13.723 776 1HG GLU 99 1HG GLU 99 10.538 3.679 -11.201 777 2HG GLU 99 2HG GLU 99 10.253 4.754 -12.577 778 H GLU 100 H GLU 100 11.835 0.731 -10.695 779 HA GLU 100 HA GLU 100 10.773 -0.779 -12.937 780 1HB GLU 100 1HB GLU 100 13.178 -1.505 -12.796 781 2HB GLU 100 2HB GLU 100 12.880 -2.089 -11.166 782 1HG GLU 100 1HG GLU 100 11.466 -3.027 -13.710 783 2HG GLU 100 2HG GLU 100 12.820 -3.857 -12.939 784 H THR 101 H THR 101 8.755 -0.822 -12.160 785 HA THR 101 HA THR 101 8.107 -1.056 -9.336 786 HB THR 101 1HB THR 101 6.365 -1.070 -11.834 787 HG1 THR 101 HG1 THR 101 7.531 0.856 -11.463 788 1HG2 THR 101 1HG2 THR 101 5.665 -0.751 -8.880 789 2HG2 THR 101 2HG2 THR 101 4.553 -0.451 -10.230 790 H LYS 102 H LYS 102 8.763 -3.006 -8.522 791 HA LYS 102 HA LYS 102 8.335 -5.495 -9.961 792 1HB LYS 102 1HB LYS 102 10.288 -4.795 -8.403 793 2HB LYS 102 2HB LYS 102 9.237 -5.265 -7.077 794 1HG LYS 102 1HG LYS 102 10.217 -6.992 -9.393 795 2HG LYS 102 2HG LYS 102 10.697 -7.097 -7.692 796 1HD LYS 102 1HD LYS 102 8.325 -7.726 -7.114 797 2HD LYS 102 2HD LYS 102 7.969 -7.780 -8.858 798 1HE LYS 102 1HE LYS 102 9.746 -9.479 -9.167 799 2HE LYS 102 2HE LYS 102 10.034 -9.479 -7.415 800 1HZ LYS 102 1HZ LYS 102 7.774 -10.175 -7.113 801 2HZ LYS 102 2HZ LYS 102 7.512 -10.179 -8.742 802 3HZ LYS 102 3HZ LYS 102 8.585 -11.242 -8.076 803 H SER 103 H SER 103 6.137 -5.846 -10.175 804 HA SER 103 HA SER 103 4.251 -5.601 -7.979 805 1HB SER 103 1HB SER 103 4.023 -6.871 -10.734 806 2HB SER 103 2HB SER 103 2.685 -6.640 -9.586 807 HG SER 103 HG SER 103 4.317 -4.592 -10.681 808 H PHE 104 H PHE 104 4.072 -7.030 -6.383 809 HA PHE 104 HA PHE 104 4.682 -9.906 -6.806 810 1HB PHE 104 1HB PHE 104 6.612 -8.883 -5.748 811 2HB PHE 104 2HB PHE 104 5.598 -8.103 -4.544 812 HD1 PHE 104 HD1 PHE 104 6.670 -11.463 -5.825 813 HD2 PHE 104 HD2 PHE 104 5.014 -9.251 -2.513 814 HE1 PHE 104 HE1 PHE 104 6.839 -13.477 -4.392 815 HE2 PHE 104 HE2 PHE 104 5.181 -11.278 -1.093 816 HZ PHE 104 1HZ PHE 104 6.089 -13.387 -2.023 817 HA PRO 105 HA PRO 105 0.564 -9.757 -4.995 818 1HB PRO 105 1HB PRO 105 -0.110 -12.391 -5.019 819 2HB PRO 105 2HB PRO 105 0.106 -11.450 -6.525 820 1HG PRO 105 1HG PRO 105 2.156 -13.217 -5.153 821 2HG PRO 105 2HG PRO 105 1.639 -13.279 -6.864 822 1HD PRO 105 1HD PRO 105 3.860 -11.919 -6.094 823 2HD PRO 105 2HD PRO 105 2.789 -11.265 -7.371 824 H ILE 106 H ILE 106 -0.606 -10.486 -3.103 825 HA ILE 106 HA ILE 106 1.024 -10.654 -0.741 826 HB ILE 106 HB ILE 106 -1.162 -9.403 -1.096 827 1HG1 ILE 106 1HG1 ILE 106 -2.101 -9.785 1.155 828 2HG1 ILE 106 2HG1 ILE 106 -0.990 -11.180 1.350 829 1HG2 ILE 106 1HG2 ILE 106 -2.435 -11.264 -2.158 830 2HG2 ILE 106 2HG2 ILE 106 -2.442 -12.132 -0.606 831 3HG2 ILE 106 3HG2 ILE 106 -3.278 -10.589 -0.756 832 1HD1 ILE 106 1HD1 ILE 106 -0.112 -8.303 0.776 833 2HD1 ILE 106 2HD1 ILE 106 -0.222 -9.002 2.399 834 3HD1 ILE 106 3HD1 ILE 106 0.929 -9.671 1.237 835 H THR 107 H THR 107 0.730 -12.334 0.942 836 HA THR 107 HA THR 107 0.152 -15.065 -0.157 837 HB THR 107 HB THR 107 1.817 -15.932 1.326 838 HG1 THR 107 HG1 THR 107 2.985 -14.573 2.689 839 1HG2 THR 107 1HG2 THR 107 3.865 -14.984 0.446 840 2HG2 THR 107 2HG2 THR 107 2.646 -15.058 -0.841 841 H GLU 108 H GLU 108 -0.232 -16.586 1.764 842 HA GLU 108 HA GLU 108 -2.040 -15.399 3.823 843 1HB GLU 108 1HB GLU 108 -2.955 -17.612 4.104 844 2HB GLU 108 2HB GLU 108 -3.116 -17.084 2.424 845 1HG GLU 108 1HG GLU 108 -1.157 -18.485 1.793 846 2HG GLU 108 2HG GLU 108 -0.981 -19.003 3.477 847 H LYS 109 H LYS 109 1.116 -16.616 3.236 848 HA LYS 109 HA LYS 109 1.481 -18.118 5.629 849 1HB LYS 109 1HB LYS 109 2.596 -18.533 3.484 850 2HB LYS 109 2HB LYS 109 3.511 -17.030 3.633 851 1HG LYS 109 1HG LYS 109 4.604 -17.897 5.685 852 2HG LYS 109 2HG LYS 109 3.597 -19.360 5.606 853 1HD LYS 109 1HD LYS 109 4.578 -19.898 3.376 854 2HD LYS 109 2HD LYS 109 5.623 -18.468 3.504 855 1HE LYS 109 1HE LYS 109 6.674 -19.420 5.536 856 2HE LYS 109 2HE LYS 109 5.605 -20.835 5.433 857 1HZ LYS 109 1HZ LYS 109 6.577 -21.343 3.320 858 2HZ LYS 109 2HZ LYS 109 7.577 -20.036 3.416 859 3HZ LYS 109 3HZ LYS 109 7.736 -21.276 4.491 860 H GLY 110 H GLY 110 3.418 -15.224 4.649 861 1HA GLY 110 1HA GLY 110 3.177 -13.282 6.378 862 2HA GLY 110 2HA GLY 110 3.713 -14.507 7.529 863 H PHE 111 H PHE 111 4.648 -13.333 4.227 864 HA PHE 111 HA PHE 111 7.426 -13.946 4.674 865 1HB PHE 111 1HB PHE 111 7.865 -12.962 2.574 866 2HB PHE 111 2HB PHE 111 6.402 -13.924 2.435 867 HD1 PHE 111 HD1 PHE 111 4.212 -12.824 2.096 868 HD2 PHE 111 HD2 PHE 111 7.848 -10.533 2.273 869 HE1 PHE 111 HE1 PHE 111 3.022 -10.873 1.129 870 HE2 PHE 111 HE2 PHE 111 6.667 -8.585 1.294 871 HZ PHE 111 1HZ PHE 111 4.256 -8.750 0.723 872 H VAL 112 H VAL 112 9.018 -12.706 5.513 873 HA VAL 112 HA VAL 112 8.391 -10.214 6.854 874 HB VAL 112 HB VAL 112 10.906 -11.866 6.461 875 1HG1 VAL 112 1HG1 VAL 112 10.621 -9.142 7.766 876 2HG1 VAL 112 2HG1 VAL 112 11.935 -10.272 8.163 877 3HG1 VAL 112 3HG1 VAL 112 11.780 -9.647 6.518 878 1HG2 VAL 112 1HG2 VAL 112 9.183 -12.681 8.072 879 2HG2 VAL 112 2HG2 VAL 112 10.670 -12.185 8.895 880 3HG2 VAL 112 3HG2 VAL 112 9.249 -11.119 8.918 881 H VAL 113 H VAL 113 8.781 -8.165 6.189 882 HA VAL 113 HA VAL 113 9.212 -7.545 3.450 883 HB VAL 113 HB VAL 113 9.463 -5.783 5.918 884 1HG1 VAL 113 1HG1 VAL 113 10.562 -4.799 3.892 885 2HG1 VAL 113 2HG1 VAL 113 9.058 -5.042 2.983 886 3HG1 VAL 113 3HG1 VAL 113 9.097 -3.924 4.362 887 1HG2 VAL 113 1HG2 VAL 113 7.119 -6.287 4.027 888 2HG2 VAL 113 2HG2 VAL 113 7.205 -6.773 5.731 889 3HG2 VAL 113 3HG2 VAL 113 7.164 -5.059 5.308 890 HA PRO 114 HA PRO 114 13.486 -8.622 3.910 891 1HB PRO 114 1HB PRO 114 14.416 -8.341 1.359 892 2HB PRO 114 2HB PRO 114 13.175 -9.550 1.801 893 1HG PRO 114 1HG PRO 114 12.705 -6.772 0.670 894 2HG PRO 114 2HG PRO 114 12.075 -8.326 0.040 895 1HD PRO 114 1HD PRO 114 10.586 -6.776 1.693 896 2HD PRO 114 2HD PRO 114 10.585 -8.558 1.870 897 H ASP 115 H ASP 115 15.702 -7.868 3.627 898 HA ASP 115 HA ASP 115 16.091 -5.105 4.359 899 1HB ASP 115 1HB ASP 115 18.450 -5.720 4.466 900 2HB ASP 115 2HB ASP 115 17.454 -6.924 5.283 901 H LEU 116 H LEU 116 17.771 -3.760 3.215 902 HA LEU 116 HA LEU 116 16.961 -3.514 0.385 903 1HB LEU 116 1HB LEU 116 18.363 -1.593 2.287 904 2HB LEU 116 2HB LEU 116 17.915 -1.266 0.611 905 HG LEU 116 HG LEU 116 15.505 -1.751 1.222 906 1HD1 LEU 116 1HD1 LEU 116 16.638 -1.474 4.039 907 2HD1 LEU 116 2HD1 LEU 116 14.940 -1.170 3.624 908 3HD1 LEU 116 3HD1 LEU 116 15.607 -2.782 3.408 909 1HD2 LEU 116 1HD2 LEU 116 16.444 0.495 0.779 910 2HD2 LEU 116 2HD2 LEU 116 15.207 0.562 2.041 911 3HD2 LEU 116 3HD2 LEU 116 16.928 0.634 2.481 912 H SER 117 H SER 117 18.935 -5.595 1.156 913 HA SER 117 HA SER 117 20.930 -6.432 0.579 914 1HB SER 117 1HB SER 117 19.615 -6.601 -1.445 915 2HB SER 117 2HB SER 117 20.161 -5.015 -2.003 916 HG SER 117 HG SER 117 21.801 -7.279 -1.478 917 H GLU 118 H GLU 118 21.812 -3.925 -1.665 918 HA GLU 118 HA GLU 118 23.498 -2.396 0.121 919 1HB GLU 118 1HB GLU 118 24.824 -4.488 -0.070 920 2HB GLU 118 2HB GLU 118 24.798 -4.349 -1.837 921 1HG GLU 118 1HG GLU 118 26.054 -2.216 -1.693 922 2HG GLU 118 2HG GLU 118 25.992 -2.291 0.077 923 H HIS 119 H HIS 119 22.823 -3.486 -3.204 924 HA HIS 119 HA HIS 119 23.738 -1.031 -4.446 925 1HB HIS 119 1HB HIS 119 23.238 -2.176 -6.503 926 2HB HIS 119 2HB HIS 119 24.063 -3.281 -5.409 927 HD1 HIS 119 HD1 HIS 119 22.057 -4.867 -3.917 928 HD2 HIS 119 HD2 HIS 119 21.194 -3.238 -7.700 929 HE1 HIS 119 HE1 HIS 119 20.061 -6.167 -4.837 930 H ILE 120 H ILE 120 21.253 -0.942 -2.565 931 HA ILE 120 HA ILE 120 19.649 0.776 -4.238 932 HB ILE 120 HB ILE 120 18.734 -1.316 -4.987 933 1HG1 ILE 120 1HG1 ILE 120 16.387 -1.213 -4.261 934 2HG1 ILE 120 2HG1 ILE 120 16.854 -0.162 -2.896 935 1HG2 ILE 120 1HG2 ILE 120 19.491 -2.797 -3.120 936 2HG2 ILE 120 2HG2 ILE 120 18.191 -2.123 -2.107 937 3HG2 ILE 120 3HG2 ILE 120 17.802 -3.036 -3.570 938 1HD1 ILE 120 1HD1 ILE 120 17.159 0.480 -5.858 939 2HD1 ILE 120 2HD1 ILE 120 15.912 1.130 -4.765 940 3HD1 ILE 120 3HD1 ILE 120 17.597 1.570 -4.524 941 H LYS 121 H LYS 121 18.823 2.372 -3.024 942 HA LYS 121 HA LYS 121 18.184 1.964 -0.166 943 1HB LYS 121 1HB LYS 121 20.156 4.038 -1.229 944 2HB LYS 121 2HB LYS 121 19.345 4.164 0.330 945 1HG LYS 121 1HG LYS 121 21.170 3.249 1.113 946 2HG LYS 121 2HG LYS 121 20.321 1.747 0.749 947 1HD LYS 121 1HD LYS 121 21.657 1.569 -1.380 948 2HD LYS 121 2HD LYS 121 22.374 3.151 -1.043 949 1HE LYS 121 1HE LYS 121 23.932 1.405 -0.396 950 2HE LYS 121 2HE LYS 121 23.378 2.268 1.045 951 1HZ LYS 121 1HZ LYS 121 22.336 -0.313 0.106 952 2HZ LYS 121 2HZ LYS 121 23.395 -0.098 1.351 953 3HZ LYS 121 3HZ LYS 121 21.858 0.484 1.468 954 H ASN 122 H ASN 122 16.588 2.382 -2.725 955 HA ASN 122 HA ASN 122 14.800 4.284 -1.422 956 1HB ASN 122 1HB ASN 122 14.469 5.733 -3.339 957 2HB ASN 122 2HB ASN 122 16.114 5.827 -2.734 958 1HD2 ASN 122 1HD2 ASN 122 16.661 5.840 -6.314 959 2HD2 ASN 122 2HD2 ASN 122 16.186 6.884 -4.993 960 HA PRO 123 HA PRO 123 12.602 0.854 -3.747 961 1HB PRO 123 1HB PRO 123 11.924 -0.790 -1.711 962 2HB PRO 123 2HB PRO 123 13.491 -0.919 -2.554 963 1HG PRO 123 1HG PRO 123 12.936 0.503 0.071 964 2HG PRO 123 2HG PRO 123 14.219 -0.682 -0.303 965 1HD PRO 123 1HD PRO 123 14.679 2.008 -0.404 966 2HD PRO 123 2HD PRO 123 15.432 0.878 -1.553 967 H GLY 124 H GLY 124 10.759 1.917 -4.156 968 1HA GLY 124 1HA GLY 124 9.323 3.458 -2.083 969 2HA GLY 124 2HA GLY 124 9.098 3.468 -3.839 970 H PHE 125 H PHE 125 8.629 1.425 -0.934 971 HA PHE 125 HA PHE 125 7.000 -0.582 -2.116 972 1HB PHE 125 1HB PHE 125 7.318 0.388 0.727 973 2HB PHE 125 2HB PHE 125 6.242 -0.921 0.263 974 HD1 PHE 125 HD1 PHE 125 9.829 0.085 0.393 975 HD2 PHE 125 HD2 PHE 125 7.009 -3.119 -0.211 976 HE1 PHE 125 HE1 PHE 125 11.645 -1.579 0.690 977 HE2 PHE 125 HE2 PHE 125 8.838 -4.773 0.033 978 HZ PHE 125 1HZ PHE 125 11.157 -4.006 0.500 979 H ASN 126 H ASN 126 5.226 -0.096 -3.256 980 HA ASN 126 HA ASN 126 3.220 1.848 -2.206 981 1HB ASN 126 1HB ASN 126 3.577 0.548 -4.921 982 2HB ASN 126 2HB ASN 126 2.204 1.550 -4.459 983 1HD2 ASN 126 1HD2 ASN 126 5.624 3.313 -5.716 984 2HD2 ASN 126 2HD2 ASN 126 5.369 1.582 -5.764 985 H LEU 127 H LEU 127 2.312 0.646 -0.564 986 HA LEU 127 HA LEU 127 1.130 -2.015 -1.076 987 1HB LEU 127 1HB LEU 127 1.334 -0.133 1.294 988 2HB LEU 127 2HB LEU 127 0.206 -1.484 1.311 989 HG LEU 127 HG LEU 127 2.389 -1.866 2.453 990 1HD1 LEU 127 1HD1 LEU 127 0.928 -3.713 1.826 991 2HD1 LEU 127 2HD1 LEU 127 1.670 -3.805 0.220 992 3HD1 LEU 127 3HD1 LEU 127 2.625 -4.177 1.674 993 1HD2 LEU 127 1HD2 LEU 127 3.861 -0.781 0.748 994 2HD2 LEU 127 2HD2 LEU 127 4.376 -2.414 1.215 995 3HD2 LEU 127 3HD2 LEU 127 3.566 -2.161 -0.338 996 H ILE 128 H ILE 128 -0.022 -1.150 -2.943 997 HA ILE 128 HA ILE 128 -2.486 0.426 -2.326 998 HB ILE 128 HB ILE 128 -0.834 0.104 -4.862 999 1HG1 ILE 128 1HG1 ILE 128 -1.459 2.511 -3.083 1000 2HG1 ILE 128 2HG1 ILE 128 0.087 1.645 -3.207 1001 1HG2 ILE 128 1HG2 ILE 128 -3.532 1.448 -4.435 1002 2HG2 ILE 128 2HG2 ILE 128 -2.534 1.645 -5.893 1003 3HG2 ILE 128 3HG2 ILE 128 -3.189 0.072 -5.494 1004 1HD1 ILE 128 1HD1 ILE 128 0.152 2.284 -5.664 1005 2HD1 ILE 128 2HD1 ILE 128 -1.232 3.362 -5.348 1006 3HD1 ILE 128 3HD1 ILE 128 0.301 3.626 -4.513 1007 H THR 129 H THR 129 -4.368 -0.680 -2.463 1008 HA THR 129 HA THR 129 -4.606 -3.130 -4.103 1009 HB THR 129 1HB THR 129 -4.687 -3.004 -1.067 1010 HG1 THR 129 HG1 THR 129 -2.752 -3.573 -2.085 1011 1HG2 THR 129 1HG2 THR 129 -6.741 -4.144 -1.608 1012 2HG2 THR 129 2HG2 THR 129 -5.928 -5.145 -2.840 1013 H LYS 130 H LYS 130 -6.667 -3.573 -4.741 1014 HA LYS 130 HA LYS 130 -8.681 -1.498 -4.540 1015 1HB LYS 130 1HB LYS 130 -8.591 -4.299 -5.715 1016 2HB LYS 130 2HB LYS 130 -10.045 -3.299 -5.791 1017 1HG LYS 130 1HG LYS 130 -7.402 -2.219 -6.816 1018 2HG LYS 130 2HG LYS 130 -8.380 -3.313 -7.805 1019 1HD LYS 130 1HD LYS 130 -10.278 -1.831 -7.773 1020 2HD LYS 130 2HD LYS 130 -9.503 -0.746 -6.607 1021 1HE LYS 130 1HE LYS 130 -7.742 -0.202 -8.240 1022 2HE LYS 130 2HE LYS 130 -8.446 -1.343 -9.405 1023 1HZ LYS 130 1HZ LYS 130 -9.786 1.042 -8.344 1024 2HZ LYS 130 2HZ LYS 130 -9.091 0.915 -9.834 1025 3HZ LYS 130 3HZ LYS 130 -10.406 -0.005 -9.455 1026 H VAL 131 H VAL 131 -10.548 -1.486 -3.319 1027 HA VAL 131 HA VAL 131 -11.278 -3.844 -1.708 1028 HB VAL 131 HB VAL 131 -11.536 -2.537 0.334 1029 1HG1 VAL 131 1HG1 VAL 131 -9.406 -3.774 -0.073 1030 2HG1 VAL 131 2HG1 VAL 131 -8.672 -2.274 -0.662 1031 3HG1 VAL 131 3HG1 VAL 131 -9.232 -2.390 1.016 1032 1HG2 VAL 131 1HG2 VAL 131 -10.204 -0.248 -1.182 1033 2HG2 VAL 131 2HG2 VAL 131 -11.853 -0.286 -0.529 1034 3HG2 VAL 131 3HG2 VAL 131 -10.479 -0.302 0.573 1035 H VAL 132 H VAL 132 -13.466 -3.982 -1.258 1036 HA VAL 132 HA VAL 132 -15.155 -2.313 -2.984 1037 HB VAL 132 HB VAL 132 -15.861 -4.773 -1.369 1038 1HG1 VAL 132 1HG1 VAL 132 -17.818 -3.317 -1.940 1039 2HG1 VAL 132 2HG1 VAL 132 -17.308 -3.323 -3.639 1040 3HG1 VAL 132 3HG1 VAL 132 -17.836 -4.829 -2.860 1041 1HG2 VAL 132 1HG2 VAL 132 -15.113 -4.441 -4.306 1042 2HG2 VAL 132 2HG2 VAL 132 -14.186 -5.332 -3.079 1043 3HG2 VAL 132 3HG2 VAL 132 -15.777 -5.917 -3.576 1044 H ILE 133 H ILE 133 -15.484 -0.356 -2.029 1045 HA ILE 133 HA ILE 133 -16.733 -0.257 0.680 1046 HB ILE 133 HB ILE 133 -14.797 1.658 -0.666 1047 1HG1 ILE 133 1HG1 ILE 133 -14.763 0.196 2.017 1048 2HG1 ILE 133 2HG1 ILE 133 -13.885 -0.312 0.548 1049 1HG2 ILE 133 1HG2 ILE 133 -16.457 2.112 1.858 1050 2HG2 ILE 133 2HG2 ILE 133 -15.141 3.162 1.292 1051 3HG2 ILE 133 3HG2 ILE 133 -16.595 3.020 0.334 1052 1HD1 ILE 133 1HD1 ILE 133 -12.639 1.893 0.633 1053 2HD1 ILE 133 2HD1 ILE 133 -13.384 2.203 2.220 1054 3HD1 ILE 133 3HD1 ILE 133 -12.328 0.807 2.002 1055 H GLU 134 H GLU 134 -18.518 0.984 0.912 1056 HA GLU 134 HA GLU 134 -19.751 2.302 -1.470 1057 1HB GLU 134 1HB GLU 134 -21.083 0.405 0.516 1058 2HB GLU 134 2HB GLU 134 -21.913 1.348 -0.736 1059 1HG GLU 134 1HG GLU 134 -20.624 0.138 -2.484 1060 2HG GLU 134 2HG GLU 134 -19.832 -0.832 -1.230 1061 H LYS 135 H LYS 135 -18.823 4.224 -0.472 1062 HA LYS 135 HA LYS 135 -19.085 4.908 2.197 1063 1HB LYS 135 1HB LYS 135 -18.303 7.070 1.600 1064 2HB LYS 135 2HB LYS 135 -17.587 5.928 0.470 1065 1HG LYS 135 1HG LYS 135 -18.228 7.518 -1.029 1066 2HG LYS 135 2HG LYS 135 -19.739 6.600 -1.003 1067 1HD LYS 135 1HD LYS 135 -20.455 8.321 0.874 1068 2HD LYS 135 2HD LYS 135 -19.009 9.209 0.386 1069 1HE LYS 135 1HE LYS 135 -20.873 10.155 -0.769 1070 2HE LYS 135 2HE LYS 135 -19.906 9.272 -1.966 1071 1HZ LYS 135 1HZ LYS 135 -22.343 8.290 -0.647 1072 2HZ LYS 135 2HZ LYS 135 -22.253 8.869 -2.188 1073 3HZ LYS 135 3HZ LYS 135 -21.476 7.473 -1.786 1074 H LYS 136 H LYS 136 -20.399 6.382 3.360 1075 HA LYS 136 HA LYS 136 -23.079 7.043 2.210 1076 1HB LYS 136 1HB LYS 136 -22.540 5.939 4.982 1077 2HB LYS 136 2HB LYS 136 -24.112 6.406 4.315 1078 1HG LYS 136 1HG LYS 136 -23.802 4.623 2.544 1079 2HG LYS 136 2HG LYS 136 -22.357 4.077 3.413 1080 1HD LYS 136 1HD LYS 136 -25.200 4.136 4.508 1081 2HD LYS 136 2HD LYS 136 -24.297 2.710 3.970 1082 1HE LYS 136 1HE LYS 136 -22.570 3.212 5.755 1083 2HE LYS 136 2HE LYS 136 -23.660 4.474 6.369 1084 1HZ LYS 136 1HZ LYS 136 -25.316 2.814 6.705 1085 2HZ LYS 136 2HZ LYS 136 -24.313 1.631 6.146 1086 3HZ LYS 136 3HZ LYS 136 -23.941 2.440 7.534 No H/Q in entry = 1086 Start of MODEL 19 1 H SER 1 H SER 1 -15.091 9.603 6.913 2 HA SER 1 HA SER 1 -16.406 11.424 5.575 3 1HB SER 1 1HB SER 1 -14.330 11.889 6.838 4 2HB SER 1 2HB SER 1 -13.357 11.311 5.467 5 HG SER 1 HG SER 1 -14.293 12.975 4.218 6 H SER 2 H SER 2 -14.216 9.170 3.959 7 HA SER 2 HA SER 2 -13.731 8.602 1.924 8 1HB SER 2 1HB SER 2 -15.226 8.635 0.118 9 2HB SER 2 2HB SER 2 -16.202 8.388 1.571 10 HG SER 2 HG SER 2 -16.703 10.636 1.457 11 H SER 3 H SER 3 -12.595 9.266 0.117 12 HA SER 3 HA SER 3 -11.090 10.469 -0.972 13 1HB SER 3 1HB SER 3 -11.411 12.621 -1.698 14 2HB SER 3 2HB SER 3 -13.064 12.046 -1.439 15 HG SER 3 HG SER 3 -12.954 13.143 0.608 16 H PHE 4 H PHE 4 -11.432 10.583 2.333 17 HA PHE 4 HA PHE 4 -10.278 11.194 4.100 18 1HB PHE 4 1HB PHE 4 -7.876 10.591 4.054 19 2HB PHE 4 2HB PHE 4 -8.956 9.378 3.402 20 HD1 PHE 4 HD1 PHE 4 -6.535 12.078 2.365 21 HD2 PHE 4 HD2 PHE 4 -8.635 8.480 1.244 22 HE1 PHE 4 HE1 PHE 4 -5.432 12.116 0.157 23 HE2 PHE 4 HE2 PHE 4 -7.444 8.478 -0.922 24 HZ PHE 4 1HZ PHE 4 -5.858 10.306 -1.486 25 H ASP 5 H ASP 5 -10.768 13.521 2.174 26 HA ASP 5 HA ASP 5 -10.162 15.651 1.817 27 1HB ASP 5 1HB ASP 5 -8.907 15.536 4.594 28 2HB ASP 5 2HB ASP 5 -9.480 16.971 3.731 29 H LYS 6 H LYS 6 -7.584 16.785 3.096 30 HA LYS 6 HA LYS 6 -5.603 17.296 1.854 31 1HB LYS 6 1HB LYS 6 -3.947 16.044 3.301 32 2HB LYS 6 2HB LYS 6 -5.207 16.974 4.114 33 1HG LYS 6 1HG LYS 6 -6.501 14.975 4.596 34 2HG LYS 6 2HG LYS 6 -5.354 13.954 3.705 35 1HD LYS 6 1HD LYS 6 -3.591 14.519 5.320 36 2HD LYS 6 2HD LYS 6 -4.690 15.630 6.165 37 1HE LYS 6 1HE LYS 6 -6.198 13.760 6.719 38 2HE LYS 6 2HE LYS 6 -5.163 12.636 5.820 39 1HZ LYS 6 1HZ LYS 6 -3.406 13.123 7.357 40 2HZ LYS 6 2HZ LYS 6 -4.374 14.165 8.194 41 3HZ LYS 6 3HZ LYS 6 -4.736 12.557 8.152 42 H GLY 7 H GLY 7 -5.986 16.642 -0.335 43 1HA GLY 7 1HA GLY 7 -5.748 14.068 -1.372 44 2HA GLY 7 2HA GLY 7 -5.515 15.572 -2.269 45 H LYS 8 H LYS 8 -4.013 12.751 -1.251 46 HA LYS 8 HA LYS 8 -1.936 11.917 -1.227 47 1HB LYS 8 1HB LYS 8 -1.242 14.152 -3.178 48 2HB LYS 8 2HB LYS 8 -0.393 12.614 -2.935 49 1HG LYS 8 1HG LYS 8 -2.619 11.473 -3.534 50 2HG LYS 8 2HG LYS 8 -3.178 13.054 -4.093 51 1HD LYS 8 1HD LYS 8 -0.739 11.534 -5.128 52 2HD LYS 8 2HD LYS 8 -2.310 11.677 -5.935 53 1HE LYS 8 1HE LYS 8 -2.008 14.156 -6.049 54 2HE LYS 8 2HE LYS 8 -0.381 13.965 -5.359 55 1HZ LYS 8 1HZ LYS 8 0.185 12.604 -7.223 56 2HZ LYS 8 2HZ LYS 8 -1.322 12.785 -7.869 57 3HZ LYS 8 3HZ LYS 8 -0.324 14.091 -7.721 58 H TYR 9 H TYR 9 -2.013 12.697 1.047 59 HA TYR 9 HA TYR 9 -0.683 15.104 1.802 60 1HB TYR 9 1HB TYR 9 -2.433 13.998 3.134 61 2HB TYR 9 2HB TYR 9 -1.375 12.612 3.390 62 HD1 TYR 9 HD1 TYR 9 -1.019 16.369 3.723 63 HD2 TYR 9 HD2 TYR 9 -0.635 12.503 5.606 64 HE1 TYR 9 HE1 TYR 9 -0.140 17.448 5.765 65 HE2 TYR 9 HE2 TYR 9 0.180 13.597 7.670 66 HH TYR 9 HH TYR 9 0.642 17.144 7.905 67 H LYS 10 H LYS 10 0.307 11.673 1.777 68 HA LYS 10 HA LYS 10 2.256 10.611 1.731 69 1HB LYS 10 1HB LYS 10 3.549 13.268 0.990 70 2HB LYS 10 2HB LYS 10 4.236 11.677 0.755 71 1HG LYS 10 1HG LYS 10 1.771 12.793 -0.640 72 2HG LYS 10 2HG LYS 10 3.372 12.590 -1.333 73 1HD LYS 10 1HD LYS 10 1.449 10.389 -0.476 74 2HD LYS 10 2HD LYS 10 1.932 10.824 -2.116 75 1HE LYS 10 1HE LYS 10 3.703 9.567 0.020 76 2HE LYS 10 2HE LYS 10 3.088 8.813 -1.449 77 1HZ LYS 10 1HZ LYS 10 4.371 10.361 -2.730 78 2HZ LYS 10 2HZ LYS 10 4.968 11.057 -1.361 79 3HZ LYS 10 3HZ LYS 10 5.336 9.491 -1.715 80 H LYS 11 H LYS 11 1.543 12.574 4.211 81 HA LYS 11 HA LYS 11 2.400 13.180 6.166 82 1HB LYS 11 1HB LYS 11 2.453 10.776 6.509 83 2HB LYS 11 2HB LYS 11 4.103 10.669 5.889 84 1HG LYS 11 1HG LYS 11 4.892 12.134 7.734 85 2HG LYS 11 2HG LYS 11 3.228 12.299 8.321 86 1HD LYS 11 1HD LYS 11 3.114 9.890 8.773 87 2HD LYS 11 2HD LYS 11 4.742 9.657 8.108 88 1HE LYS 11 1HE LYS 11 4.127 11.402 10.524 89 2HE LYS 11 2HE LYS 11 4.671 9.716 10.601 90 1HZ LYS 11 1HZ LYS 11 6.649 10.352 9.435 91 2HZ LYS 11 2HZ LYS 11 6.168 11.928 9.390 92 3HZ LYS 11 3HZ LYS 11 6.491 11.206 10.836 93 H GLY 12 H GLY 12 5.599 11.910 5.335 94 1HA GLY 12 1HA GLY 12 6.694 14.089 3.992 95 2HA GLY 12 2HA GLY 12 6.960 14.390 5.724 96 H ASP 13 H ASP 13 7.041 11.552 3.497 97 HA ASP 13 HA ASP 13 9.745 10.785 4.526 98 1HB ASP 13 1HB ASP 13 7.426 8.886 4.034 99 2HB ASP 13 2HB ASP 13 9.026 8.483 4.663 100 H ASP 14 H ASP 14 10.073 12.120 2.470 101 HA ASP 14 HA ASP 14 10.844 12.225 0.373 102 1HB ASP 14 1HB ASP 14 10.753 9.195 0.302 103 2HB ASP 14 2HB ASP 14 11.716 10.244 -0.712 104 H ALA 15 H ALA 15 10.426 11.156 -2.010 105 HA ALA 15 HA ALA 15 7.596 10.581 -2.503 106 1HB ALA 15 1HB ALA 15 7.659 13.068 -2.304 107 2HB ALA 15 2HB ALA 15 8.916 13.124 -3.558 108 3HB ALA 15 3HB ALA 15 7.281 12.556 -3.954 109 H SER 16 H SER 16 7.295 10.660 -5.026 110 HA SER 16 HA SER 16 9.061 8.642 -6.086 111 1HB SER 16 1HB SER 16 6.722 10.174 -7.303 112 2HB SER 16 2HB SER 16 7.481 8.735 -8.004 113 HG SER 16 HG SER 16 6.912 7.623 -6.071 114 H TYR 17 H TYR 17 10.376 8.751 -7.890 115 HA TYR 17 HA TYR 17 11.788 9.509 -9.430 116 1HB TYR 17 1HB TYR 17 9.875 11.859 -9.709 117 2HB TYR 17 2HB TYR 17 11.104 11.386 -10.863 118 HD1 TYR 17 HD1 TYR 17 10.981 9.203 -12.075 119 HD2 TYR 17 HD2 TYR 17 7.715 10.743 -9.718 120 HE1 TYR 17 HE1 TYR 17 9.401 7.780 -13.333 121 HE2 TYR 17 HE2 TYR 17 6.148 9.241 -10.911 122 HH TYR 17 HH TYR 17 7.222 7.057 -13.546 123 H PHE 18 H PHE 18 13.101 11.488 -10.239 124 HA PHE 18 HA PHE 18 14.794 12.887 -9.918 125 1HB PHE 18 1HB PHE 18 13.007 14.459 -9.437 126 2HB PHE 18 2HB PHE 18 13.019 14.029 -7.731 127 HD1 PHE 18 HD1 PHE 18 15.185 15.428 -10.461 128 HD2 PHE 18 HD2 PHE 18 14.481 15.161 -6.214 129 HE1 PHE 18 HE1 PHE 18 16.976 17.097 -10.053 130 HE2 PHE 18 HE2 PHE 18 16.276 16.819 -5.815 131 HZ PHE 18 1HZ PHE 18 17.522 17.795 -7.731 132 H GLU 19 H GLU 19 16.355 11.404 -9.371 133 HA GLU 19 HA GLU 19 18.035 10.509 -8.211 134 1HB GLU 19 1HB GLU 19 17.289 12.610 -6.114 135 2HB GLU 19 2HB GLU 19 18.685 11.574 -5.980 136 1HG GLU 19 1HG GLU 19 19.551 12.396 -8.144 137 2HG GLU 19 2HG GLU 19 18.146 13.461 -8.309 138 HA PRO 20 HA PRO 20 16.266 7.367 -5.608 139 1HB PRO 20 1HB PRO 20 18.377 6.307 -4.257 140 2HB PRO 20 2HB PRO 20 18.186 6.143 -6.023 141 1HG PRO 20 1HG PRO 20 19.873 8.189 -4.564 142 2HG PRO 20 2HG PRO 20 20.363 7.127 -5.911 143 1HD PRO 20 1HD PRO 20 19.580 9.680 -6.326 144 2HD PRO 20 2HD PRO 20 19.113 8.417 -7.480 145 H THR 21 H THR 21 14.926 8.739 -4.385 146 HA THR 21 HA THR 21 15.842 10.689 -2.615 147 HB THR 21 HB THR 21 13.492 10.896 -1.918 148 HG1 THR 21 HG1 THR 21 13.100 8.629 -3.589 149 1HG2 THR 21 1HG2 THR 21 14.303 11.933 -4.039 150 2HG2 THR 21 2HG2 THR 21 13.709 10.506 -4.922 151 H GLY 22 H GLY 22 14.119 7.664 -1.677 152 1HA GLY 22 1HA GLY 22 15.885 6.677 0.104 153 2HA GLY 22 2HA GLY 22 14.968 7.828 1.109 154 HA PRO 23 HA PRO 23 12.715 3.672 0.655 155 1HB PRO 23 1HB PRO 23 13.128 3.576 3.626 156 2HB PRO 23 2HB PRO 23 13.235 2.245 2.437 157 1HG PRO 23 1HG PRO 23 15.477 3.343 3.529 158 2HG PRO 23 2HG PRO 23 15.422 2.927 1.790 159 1HD PRO 23 1HD PRO 23 14.979 5.644 3.067 160 2HD PRO 23 2HD PRO 23 16.017 5.196 1.685 161 H TYR 24 H TYR 24 10.513 3.382 1.164 162 HA TYR 24 HA TYR 24 9.295 4.572 3.419 163 1HB TYR 24 1HB TYR 24 7.592 5.988 2.181 164 2HB TYR 24 2HB TYR 24 9.203 6.643 2.304 165 HD1 TYR 24 HD1 TYR 24 6.763 5.079 -0.050 166 HD2 TYR 24 HD2 TYR 24 10.570 7.020 0.380 167 HE1 TYR 24 HE1 TYR 24 6.750 5.649 -2.469 168 HE2 TYR 24 HE2 TYR 24 10.547 7.627 -2.030 169 HH TYR 24 HH TYR 24 9.355 7.574 -3.998 170 H LEU 25 H LEU 25 6.870 4.251 3.398 171 HA LEU 25 HA LEU 25 6.037 1.855 1.901 172 1HB LEU 25 1HB LEU 25 7.357 1.274 3.976 173 2HB LEU 25 2HB LEU 25 6.049 1.939 4.945 174 HG LEU 25 HG LEU 25 5.750 -0.331 2.906 175 1HD1 LEU 25 1HD1 LEU 25 6.099 -0.464 5.928 176 2HD1 LEU 25 2HD1 LEU 25 5.728 -1.839 4.863 177 3HD1 LEU 25 3HD1 LEU 25 7.276 -1.000 4.708 178 1HD2 LEU 25 1HD2 LEU 25 3.912 0.686 5.103 179 2HD2 LEU 25 2HD2 LEU 25 3.606 0.713 3.343 180 3HD2 LEU 25 3HD2 LEU 25 3.666 -0.826 4.205 181 H MET 26 H MET 26 4.332 2.805 0.934 182 HA MET 26 HA MET 26 2.531 4.684 2.297 183 1HB MET 26 1HB MET 26 2.734 3.589 -0.527 184 2HB MET 26 2HB MET 26 1.490 4.740 -0.007 185 1HG MET 26 1HG MET 26 3.061 6.455 0.391 186 2HG MET 26 2HG MET 26 4.421 5.334 0.450 187 1HE MET 26 1HE MET 26 1.803 6.969 -1.979 188 2HE MET 26 2HE MET 26 2.411 6.428 -3.558 189 3HE MET 26 3HE MET 26 1.703 5.246 -2.435 190 H VAL 27 H VAL 27 0.488 4.185 3.011 191 HA VAL 27 HA VAL 27 -0.513 1.379 2.714 192 HB VAL 27 HB VAL 27 -0.136 2.954 5.300 193 1HG1 VAL 27 1HG1 VAL 27 -1.170 0.123 4.799 194 2HG1 VAL 27 2HG1 VAL 27 -0.794 0.813 6.392 195 3HG1 VAL 27 3HG1 VAL 27 -2.104 1.493 5.440 196 1HG2 VAL 27 1HG2 VAL 27 1.320 0.518 4.212 197 2HG2 VAL 27 2HG2 VAL 27 2.013 2.134 4.521 198 3HG2 VAL 27 3HG2 VAL 27 1.471 1.138 5.869 199 H ASN 28 H ASN 28 -2.135 2.177 1.285 200 HA ASN 28 HA ASN 28 -4.558 2.724 2.720 201 1HB ASN 28 1HB ASN 28 -3.465 4.845 0.847 202 2HB ASN 28 2HB ASN 28 -5.204 4.681 1.117 203 1HD2 ASN 28 1HD2 ASN 28 -5.020 5.690 4.617 204 2HD2 ASN 28 2HD2 ASN 28 -5.764 4.456 3.624 205 H VAL 29 H VAL 29 -6.464 2.677 1.234 206 HA VAL 29 HA VAL 29 -6.056 0.408 -0.577 207 HB VAL 29 HB VAL 29 -8.429 0.055 -0.358 208 1HG1 VAL 29 1HG1 VAL 29 -6.956 -0.709 1.493 209 2HG1 VAL 29 2HG1 VAL 29 -7.338 0.784 2.387 210 3HG1 VAL 29 3HG1 VAL 29 -8.618 -0.380 2.013 211 1HG2 VAL 29 1HG2 VAL 29 -8.574 2.710 1.088 212 2HG2 VAL 29 2HG2 VAL 29 -9.342 2.278 -0.455 213 3HG2 VAL 29 3HG2 VAL 29 -9.872 1.498 1.026 214 H THR 30 H THR 30 -6.980 0.225 -2.643 215 HA THR 30 HA THR 30 -7.590 2.707 -4.148 216 HB THR 30 HB THR 30 -7.356 -0.218 -4.952 217 HG1 THR 30 HG1 THR 30 -5.595 0.646 -6.086 218 1HG2 THR 30 1HG2 THR 30 -9.068 0.761 -6.389 219 2HG2 THR 30 2HG2 THR 30 -8.089 2.229 -6.619 220 H GLY 31 H GLY 31 -9.427 3.433 -3.130 221 1HA GLY 31 1HA GLY 31 -11.630 1.644 -2.423 222 2HA GLY 31 2HA GLY 31 -11.474 3.373 -2.113 223 H VAL 32 H VAL 32 -12.114 0.970 -4.652 224 HA VAL 32 HA VAL 32 -13.593 2.936 -6.309 225 HB VAL 32 HB VAL 32 -13.802 1.031 -7.888 226 1HG1 VAL 32 1HG1 VAL 32 -10.989 1.858 -7.095 227 2HG1 VAL 32 2HG1 VAL 32 -11.418 1.042 -8.615 228 3HG1 VAL 32 3HG1 VAL 32 -12.065 2.649 -8.262 229 1HG2 VAL 32 1HG2 VAL 32 -13.543 -0.843 -6.246 230 2HG2 VAL 32 2HG2 VAL 32 -12.475 -0.965 -7.651 231 3HG2 VAL 32 3HG2 VAL 32 -11.818 -0.434 -6.096 232 H ASP 33 H ASP 33 -15.710 2.242 -7.156 233 HA ASP 33 HA ASP 33 -17.455 1.233 -5.027 234 1HB ASP 33 1HB ASP 33 -19.257 2.003 -6.356 235 2HB ASP 33 2HB ASP 33 -18.012 3.243 -6.401 236 H SER 34 H SER 34 -19.418 -0.018 -6.629 237 HA SER 34 HA SER 34 -18.669 -2.708 -6.765 238 1HB SER 34 1HB SER 34 -20.980 -1.893 -6.646 239 2HB SER 34 2HB SER 34 -20.848 -1.221 -8.284 240 HG SER 34 HG SER 34 -21.806 -3.295 -8.255 241 H LYS 35 H LYS 35 -18.888 -0.298 -9.426 242 HA LYS 35 HA LYS 35 -18.034 -2.153 -11.467 243 1HB LYS 35 1HB LYS 35 -18.475 0.839 -11.373 244 2HB LYS 35 2HB LYS 35 -18.022 -0.026 -12.853 245 1HG LYS 35 1HG LYS 35 -20.024 -1.332 -12.825 246 2HG LYS 35 2HG LYS 35 -20.485 -0.780 -11.210 247 1HD LYS 35 1HD LYS 35 -20.213 1.111 -13.581 248 2HD LYS 35 2HD LYS 35 -21.719 0.280 -13.154 249 1HE LYS 35 1HE LYS 35 -21.670 1.308 -10.895 250 2HE LYS 35 2HE LYS 35 -20.211 2.211 -11.336 251 1HZ LYS 35 1HZ LYS 35 -22.803 2.431 -12.667 252 2HZ LYS 35 2HZ LYS 35 -22.159 3.511 -11.598 253 3HZ LYS 35 3HZ LYS 35 -21.436 3.268 -13.061 254 H GLY 36 H GLY 36 -16.486 1.036 -10.954 255 1HA GLY 36 1HA GLY 36 -13.970 0.203 -10.030 256 2HA GLY 36 2HA GLY 36 -13.925 0.120 -11.798 257 H ASN 37 H ASN 37 -15.598 2.401 -9.586 258 HA ASN 37 HA ASN 37 -14.283 4.721 -10.946 259 1HB ASN 37 1HB ASN 37 -16.976 4.524 -9.538 260 2HB ASN 37 2HB ASN 37 -16.266 5.977 -10.250 261 1HD2 ASN 37 1HD2 ASN 37 -18.016 3.107 -12.643 262 2HD2 ASN 37 2HD2 ASN 37 -17.715 2.814 -10.944 263 H GLU 38 H GLU 38 -12.616 5.356 -9.701 264 HA GLU 38 HA GLU 38 -12.333 4.647 -6.973 265 1HB GLU 38 1HB GLU 38 -10.500 4.887 -8.595 266 2HB GLU 38 2HB GLU 38 -10.736 6.645 -8.607 267 1HG GLU 38 1HG GLU 38 -10.238 6.724 -6.178 268 2HG GLU 38 2HG GLU 38 -10.103 4.954 -6.145 269 H LEU 39 H LEU 39 -13.455 5.498 -5.340 270 HA LEU 39 HA LEU 39 -14.345 8.279 -5.219 271 1HB LEU 39 1HB LEU 39 -14.254 6.084 -3.093 272 2HB LEU 39 2HB LEU 39 -14.879 7.717 -2.881 273 HG LEU 39 HG LEU 39 -16.383 7.082 -5.005 274 1HD1 LEU 39 1HD1 LEU 39 -15.411 4.769 -5.251 275 2HD1 LEU 39 2HD1 LEU 39 -15.966 4.396 -3.611 276 3HD1 LEU 39 3HD1 LEU 39 -17.143 4.754 -4.885 277 1HD2 LEU 39 1HD2 LEU 39 -16.926 6.196 -2.139 278 2HD2 LEU 39 2HD2 LEU 39 -17.230 7.809 -2.820 279 3HD2 LEU 39 3HD2 LEU 39 -18.156 6.416 -3.402 280 H LEU 40 H LEU 40 -11.771 6.224 -3.775 281 HA LEU 40 HA LEU 40 -10.186 8.641 -3.175 282 1HB LEU 40 1HB LEU 40 -9.845 8.019 -0.871 283 2HB LEU 40 2HB LEU 40 -11.549 8.229 -1.249 284 HG LEU 40 HG LEU 40 -11.588 5.613 -1.519 285 1HD1 LEU 40 1HD1 LEU 40 -9.182 6.045 0.324 286 2HD1 LEU 40 2HD1 LEU 40 -10.071 4.522 0.136 287 3HD1 LEU 40 3HD1 LEU 40 -9.154 5.177 -1.219 288 1HD2 LEU 40 1HD2 LEU 40 -11.415 7.042 1.162 289 2HD2 LEU 40 2HD2 LEU 40 -12.858 6.884 0.138 290 3HD2 LEU 40 3HD2 LEU 40 -12.151 5.447 0.890 291 H SER 41 H SER 41 -8.014 8.359 -2.996 292 HA SER 41 HA SER 41 -7.022 6.212 -4.692 293 1HB SER 41 1HB SER 41 -5.694 8.727 -3.601 294 2HB SER 41 2HB SER 41 -5.072 7.692 -4.899 295 HG SER 41 HG SER 41 -6.969 8.178 -6.078 296 HA PRO 42 HA PRO 42 -4.861 4.132 -1.390 297 1HB PRO 42 1HB PRO 42 -3.092 2.598 -2.699 298 2HB PRO 42 2HB PRO 42 -4.812 2.505 -3.110 299 1HG PRO 42 1HG PRO 42 -2.742 4.207 -4.526 300 2HG PRO 42 2HG PRO 42 -3.819 2.979 -5.255 301 1HD PRO 42 1HD PRO 42 -4.495 5.600 -5.212 302 2HD PRO 42 2HD PRO 42 -5.726 4.333 -4.950 303 H HIS 43 H HIS 43 -4.052 6.830 -1.299 304 HA HIS 43 HA HIS 43 -1.522 6.487 -0.035 305 1HB HIS 43 1HB HIS 43 -0.293 8.200 -1.519 306 2HB HIS 43 2HB HIS 43 -0.387 6.512 -2.007 307 HD1 HIS 43 HD1 HIS 43 -2.934 9.350 -2.780 308 HD2 HIS 43 HD2 HIS 43 -0.419 6.489 -4.564 309 HE1 HIS 43 HE1 HIS 43 -3.332 9.487 -5.301 310 H TYR 44 H TYR 44 -1.663 7.661 1.657 311 HA TYR 44 HA TYR 44 -1.415 10.428 1.413 312 1HB TYR 44 1HB TYR 44 -3.160 11.362 2.676 313 2HB TYR 44 2HB TYR 44 -3.891 10.425 1.406 314 HD1 TYR 44 HD1 TYR 44 -5.096 8.280 1.952 315 HD2 TYR 44 HD2 TYR 44 -3.545 10.902 5.000 316 HE1 TYR 44 HE1 TYR 44 -6.768 7.408 3.557 317 HE2 TYR 44 HE2 TYR 44 -5.218 10.028 6.605 318 HH TYR 44 HH TYR 44 -7.646 7.560 5.683 319 H VAL 45 H VAL 45 -2.187 7.746 3.654 320 HA VAL 45 HA VAL 45 -0.313 8.621 5.702 321 HB VAL 45 HB VAL 45 -1.605 5.899 5.227 322 1HG1 VAL 45 1HG1 VAL 45 -0.245 7.092 7.682 323 2HG1 VAL 45 2HG1 VAL 45 -1.099 5.537 7.628 324 3HG1 VAL 45 3HG1 VAL 45 0.375 5.762 6.681 325 1HG2 VAL 45 1HG2 VAL 45 -2.498 8.280 6.904 326 2HG2 VAL 45 2HG2 VAL 45 -3.373 7.498 5.567 327 3HG2 VAL 45 3HG2 VAL 45 -3.146 6.642 7.090 328 H GLU 46 H GLU 46 1.832 8.211 5.730 329 HA GLU 46 HA GLU 46 3.006 6.026 4.151 330 1HB GLU 46 1HB GLU 46 3.014 8.054 2.668 331 2HB GLU 46 2HB GLU 46 3.927 8.918 3.917 332 1HG GLU 46 1HG GLU 46 5.808 7.349 3.653 333 2HG GLU 46 2HG GLU 46 4.864 6.376 2.523 334 H PHE 47 H PHE 47 5.096 5.447 4.891 335 HA PHE 47 HA PHE 47 5.978 6.574 7.500 336 1HB PHE 47 1HB PHE 47 5.809 3.630 6.746 337 2HB PHE 47 2HB PHE 47 6.404 4.272 8.272 338 HD1 PHE 47 HD1 PHE 47 4.728 5.776 9.645 339 HD2 PHE 47 HD2 PHE 47 3.518 3.016 6.559 340 HE1 PHE 47 HE1 PHE 47 2.412 5.787 10.535 341 HE2 PHE 47 HE2 PHE 47 1.204 3.044 7.450 342 HZ PHE 47 1HZ PHE 47 0.650 4.415 9.441 343 HA PRO 48 HA PRO 48 9.885 6.323 5.291 344 1HB PRO 48 1HB PRO 48 11.668 6.909 7.222 345 2HB PRO 48 2HB PRO 48 10.343 8.030 6.848 346 1HG PRO 48 1HG PRO 48 10.375 5.924 9.038 347 2HG PRO 48 2HG PRO 48 10.054 7.674 9.221 348 1HD PRO 48 1HD PRO 48 8.043 5.830 8.922 349 2HD PRO 48 2HD PRO 48 7.930 7.479 8.243 350 H ILE 49 H ILE 49 8.724 3.726 6.056 351 HA ILE 49 HA ILE 49 9.037 1.655 6.300 352 HB ILE 49 HB ILE 49 10.728 2.200 4.367 353 1HG1 ILE 49 1HG1 ILE 49 10.537 -0.497 5.782 354 2HG1 ILE 49 2HG1 ILE 49 9.359 0.199 4.635 355 1HG2 ILE 49 1HG2 ILE 49 12.756 2.524 5.887 356 2HG2 ILE 49 2HG2 ILE 49 12.616 0.818 6.338 357 3HG2 ILE 49 3HG2 ILE 49 12.963 1.285 4.670 358 1HD1 ILE 49 1HD1 ILE 49 11.169 0.193 2.882 359 2HD1 ILE 49 2HD1 ILE 49 12.204 -0.718 4.012 360 3HD1 ILE 49 3HD1 ILE 49 10.678 -1.413 3.466 361 H LYS 50 H LYS 50 9.289 0.119 7.792 362 HA LYS 50 HA LYS 50 11.505 0.227 9.730 363 1HB LYS 50 1HB LYS 50 8.581 0.285 10.546 364 2HB LYS 50 2HB LYS 50 9.910 -0.254 11.589 365 1HG LYS 50 1HG LYS 50 11.040 1.960 11.218 366 2HG LYS 50 2HG LYS 50 9.572 2.522 10.388 367 1HD LYS 50 1HD LYS 50 8.242 2.065 12.419 368 2HD LYS 50 2HD LYS 50 9.694 1.494 13.262 369 1HE LYS 50 1HE LYS 50 9.305 4.312 12.149 370 2HE LYS 50 2HE LYS 50 9.090 3.837 13.843 371 1HZ LYS 50 1HZ LYS 50 11.382 3.179 13.893 372 2HZ LYS 50 2HZ LYS 50 11.594 3.662 12.331 373 3HZ LYS 50 3HZ LYS 50 11.227 4.771 13.492 374 HA PRO 51 HA PRO 51 10.609 -3.922 8.011 375 1HB PRO 51 1HB PRO 51 13.133 -4.909 7.872 376 2HB PRO 51 2HB PRO 51 12.591 -3.595 6.792 377 1HG PRO 51 1HG PRO 51 14.100 -3.310 9.404 378 2HG PRO 51 2HG PRO 51 14.543 -2.618 7.815 379 1HD PRO 51 1HD PRO 51 13.173 -1.200 9.675 380 2HD PRO 51 2HD PRO 51 12.806 -1.013 7.932 381 H GLY 52 H GLY 52 11.382 -6.226 8.791 382 1HA GLY 52 1HA GLY 52 12.009 -7.640 10.589 383 2HA GLY 52 2HA GLY 52 11.663 -6.372 11.765 384 H THR 53 H THR 53 9.082 -5.614 10.460 385 HA THR 53 HA THR 53 7.336 -7.453 11.779 386 HB THR 53 1HB THR 53 6.850 -5.061 11.524 387 HG1 THR 53 HG1 THR 53 5.177 -6.595 11.784 388 1HG2 THR 53 1HG2 THR 53 6.329 -5.646 8.570 389 2HG2 THR 53 2HG2 THR 53 6.037 -4.123 9.425 390 H THR 54 H THR 54 5.810 -8.901 10.892 391 HA THR 54 HA THR 54 6.701 -10.345 8.537 392 HB THR 54 HB THR 54 4.218 -10.758 10.242 393 HG1 THR 54 HG1 THR 54 6.809 -11.896 10.406 394 1HG2 THR 54 1HG2 THR 54 4.188 -11.922 8.026 395 2HG2 THR 54 2HG2 THR 54 5.774 -12.628 8.386 396 H LEU 55 H LEU 55 6.311 -9.498 6.581 397 HA LEU 55 HA LEU 55 3.973 -7.847 6.003 398 1HB LEU 55 1HB LEU 55 6.413 -7.607 5.135 399 2HB LEU 55 2HB LEU 55 6.023 -8.890 4.008 400 HG LEU 55 HG LEU 55 5.780 -6.830 2.891 401 1HD1 LEU 55 1HD1 LEU 55 3.973 -8.458 2.414 402 2HD1 LEU 55 2HD1 LEU 55 2.931 -7.633 3.604 403 3HD1 LEU 55 3HD1 LEU 55 3.486 -6.775 2.159 404 1HD2 LEU 55 1HD2 LEU 55 5.648 -5.351 4.857 405 2HD2 LEU 55 2HD2 LEU 55 4.437 -4.947 3.630 406 3HD2 LEU 55 3HD2 LEU 55 3.951 -5.810 5.099 407 H THR 56 H THR 56 2.161 -9.131 6.159 408 HA THR 56 HA THR 56 1.799 -11.327 4.224 409 HB THR 56 1HB THR 56 2.704 -12.388 6.237 410 HG1 THR 56 HG1 THR 56 1.103 -13.428 4.992 411 1HG2 THR 56 1HG2 THR 56 0.278 -11.282 7.704 412 2HG2 THR 56 2HG2 THR 56 1.463 -12.446 8.330 413 H LYS 57 H LYS 57 -0.515 -11.965 4.044 414 HA LYS 57 HA LYS 57 -2.044 -9.647 3.678 415 1HB LYS 57 1HB LYS 57 -3.805 -11.001 2.935 416 2HB LYS 57 2HB LYS 57 -2.312 -11.775 2.404 417 1HG LYS 57 1HG LYS 57 -2.538 -13.368 4.344 418 2HG LYS 57 2HG LYS 57 -4.096 -12.617 4.720 419 1HD LYS 57 1HD LYS 57 -4.773 -13.104 2.280 420 2HD LYS 57 2HD LYS 57 -3.330 -14.125 2.201 421 1HE LYS 57 1HE LYS 57 -5.213 -15.530 2.706 422 2HE LYS 57 2HE LYS 57 -4.251 -15.418 4.191 423 1HZ LYS 57 1HZ LYS 57 -6.664 -13.855 3.589 424 2HZ LYS 57 2HZ LYS 57 -6.587 -15.161 4.592 425 3HZ LYS 57 3HZ LYS 57 -5.790 -13.776 4.984 426 H GLU 58 H GLU 58 -2.177 -12.041 6.360 427 HA GLU 58 HA GLU 58 -4.502 -10.916 7.527 428 1HB GLU 58 1HB GLU 58 -4.109 -12.352 9.408 429 2HB GLU 58 2HB GLU 58 -3.893 -13.175 7.873 430 1HG GLU 58 1HG GLU 58 -2.205 -14.026 9.227 431 2HG GLU 58 2HG GLU 58 -1.384 -12.920 8.130 432 H LYS 59 H LYS 59 -1.188 -9.811 7.677 433 HA LYS 59 HA LYS 59 -1.660 -7.975 9.914 434 1HB LYS 59 1HB LYS 59 0.615 -8.692 8.151 435 2HB LYS 59 2HB LYS 59 0.453 -6.960 8.421 436 1HG LYS 59 1HG LYS 59 1.915 -7.836 10.079 437 2HG LYS 59 2HG LYS 59 0.426 -7.281 10.854 438 1HD LYS 59 1HD LYS 59 -0.380 -9.630 10.978 439 2HD LYS 59 2HD LYS 59 1.100 -10.175 10.152 440 1HE LYS 59 1HE LYS 59 2.463 -9.303 12.020 441 2HE LYS 59 2HE LYS 59 0.991 -8.748 12.842 442 1HZ LYS 59 1HZ LYS 59 0.264 -11.016 12.933 443 2HZ LYS 59 2HZ LYS 59 1.632 -11.532 12.171 444 3HZ LYS 59 3HZ LYS 59 1.730 -10.850 13.670 445 H ILE 60 H ILE 60 -1.233 -7.666 6.365 446 HA ILE 60 HA ILE 60 -1.670 -4.905 6.308 447 HB ILE 60 HB ILE 60 -1.830 -6.994 4.121 448 1HG1 ILE 60 1HG1 ILE 60 0.389 -6.850 5.173 449 2HG1 ILE 60 2HG1 ILE 60 0.393 -6.233 3.495 450 1HG2 ILE 60 1HG2 ILE 60 -1.856 -3.961 3.893 451 2HG2 ILE 60 2HG2 ILE 60 -1.434 -5.051 2.561 452 3HG2 ILE 60 3HG2 ILE 60 -3.046 -5.116 3.266 453 1HD1 ILE 60 1HD1 ILE 60 0.333 -3.884 4.471 454 2HD1 ILE 60 2HD1 ILE 60 0.510 -4.605 6.089 455 3HD1 ILE 60 3HD1 ILE 60 1.775 -4.821 4.878 456 H GLU 61 H GLU 61 -4.069 -7.518 5.823 457 HA GLU 61 HA GLU 61 -6.125 -6.044 4.685 458 1HB GLU 61 1HB GLU 61 -6.110 -8.425 6.555 459 2HB GLU 61 2HB GLU 61 -7.628 -7.736 5.955 460 1HG GLU 61 1HG GLU 61 -7.018 -8.091 3.655 461 2HG GLU 61 2HG GLU 61 -5.388 -8.599 4.086 462 H TYR 62 H TYR 62 -5.468 -6.402 8.237 463 HA TYR 62 HA TYR 62 -7.603 -4.521 8.865 464 1HB TYR 62 1HB TYR 62 -6.976 -4.727 11.128 465 2HB TYR 62 2HB TYR 62 -7.102 -6.310 10.390 466 HD1 TYR 62 HD1 TYR 62 -4.602 -3.696 11.456 467 HD2 TYR 62 HD2 TYR 62 -5.417 -7.881 10.852 468 HE1 TYR 62 HE1 TYR 62 -2.417 -4.257 12.455 469 HE2 TYR 62 HE2 TYR 62 -3.275 -8.447 11.961 470 HH TYR 62 HH TYR 62 -0.979 -5.941 13.092 471 H TYR 63 H TYR 63 -4.041 -4.360 8.518 472 HA TYR 63 HA TYR 63 -3.772 -1.882 9.834 473 1HB TYR 63 1HB TYR 63 -1.989 -3.552 9.584 474 2HB TYR 63 2HB TYR 63 -1.948 -3.258 7.846 475 HD1 TYR 63 HD1 TYR 63 -1.882 -1.123 10.977 476 HD2 TYR 63 HD2 TYR 63 -0.020 -2.083 7.203 477 HE1 TYR 63 HE1 TYR 63 -0.148 0.588 11.394 478 HE2 TYR 63 HE2 TYR 63 1.758 -0.427 7.667 479 HH TYR 63 HH TYR 63 2.557 1.173 9.117 480 H VAL 64 H VAL 64 -4.145 -2.637 6.356 481 HA VAL 64 HA VAL 64 -3.732 0.038 5.447 482 HB VAL 64 HB VAL 64 -3.544 -2.125 4.123 483 1HG1 VAL 64 1HG1 VAL 64 -5.853 -3.006 4.709 484 2HG1 VAL 64 2HG1 VAL 64 -6.536 -1.743 3.675 485 3HG1 VAL 64 3HG1 VAL 64 -5.480 -2.983 2.981 486 1HG2 VAL 64 1HG2 VAL 64 -5.072 0.218 2.944 487 2HG2 VAL 64 2HG2 VAL 64 -3.311 0.063 3.097 488 3HG2 VAL 64 3HG2 VAL 64 -4.203 -1.021 2.016 489 H GLU 65 H GLU 65 -6.547 -1.777 6.585 490 HA GLU 65 HA GLU 65 -8.504 0.205 5.879 491 1HB GLU 65 1HB GLU 65 -8.937 -2.218 6.156 492 2HB GLU 65 2HB GLU 65 -8.661 -2.068 7.899 493 1HG GLU 65 1HG GLU 65 -10.566 -0.528 8.097 494 2HG GLU 65 2HG GLU 65 -10.770 -0.508 6.337 495 H TRP 66 H TRP 66 -6.463 -0.430 8.754 496 HA TRP 66 HA TRP 66 -7.775 1.391 10.549 497 1HB TRP 66 1HB TRP 66 -4.950 0.307 10.458 498 2HB TRP 66 2HB TRP 66 -5.590 1.322 11.740 499 HD1 TRP 66 HD1 TRP 66 -4.496 -0.967 12.922 500 HE1 TRP 66 HE1 TRP 66 -5.761 -2.907 13.960 501 HE3 TRP 66 HE3 TRP 66 -8.963 -0.539 10.363 502 HZ2 TRP 66 HZ2 TRP 66 -8.365 -4.123 13.750 503 HZ3 TRP 66 HZ3 TRP 66 -10.787 -2.094 10.834 504 HH2 TRP 66 HH2 TRP 66 -10.513 -3.905 12.508 505 H ALA 67 H ALA 67 -4.947 1.701 8.367 506 HA ALA 67 HA ALA 67 -4.288 4.393 8.871 507 1HB ALA 67 1HB ALA 67 -2.860 2.820 7.633 508 2HB ALA 67 2HB ALA 67 -4.049 2.758 6.313 509 3HB ALA 67 3HB ALA 67 -3.187 4.269 6.660 510 H LEU 68 H LEU 68 -6.681 2.930 6.657 511 HA LEU 68 HA LEU 68 -7.424 5.339 5.328 512 1HB LEU 68 1HB LEU 68 -7.748 3.091 4.387 513 2HB LEU 68 2HB LEU 68 -8.860 2.688 5.698 514 HG LEU 68 HG LEU 68 -10.394 4.546 4.898 515 1HD1 LEU 68 1HD1 LEU 68 -8.458 4.553 2.536 516 2HD1 LEU 68 2HD1 LEU 68 -10.065 5.316 2.561 517 3HD1 LEU 68 3HD1 LEU 68 -8.790 5.914 3.624 518 1HD2 LEU 68 1HD2 LEU 68 -9.681 2.195 3.143 519 2HD2 LEU 68 2HD2 LEU 68 -10.900 2.278 4.417 520 3HD2 LEU 68 3HD2 LEU 68 -11.141 3.189 2.910 521 H ASP 69 H ASP 69 -8.966 3.475 8.026 522 HA ASP 69 HA ASP 69 -11.126 5.351 8.225 523 1HB ASP 69 1HB ASP 69 -11.968 3.979 10.009 524 2HB ASP 69 2HB ASP 69 -11.450 3.001 8.641 525 H ALA 70 H ALA 70 -8.073 6.054 9.005 526 HA ALA 70 HA ALA 70 -8.307 7.384 11.525 527 1HB ALA 70 1HB ALA 70 -6.157 6.952 10.397 528 2HB ALA 70 2HB ALA 70 -6.626 8.023 9.060 529 3HB ALA 70 3HB ALA 70 -6.389 8.688 10.690 530 H THR 71 H THR 71 -8.933 8.336 8.113 531 HA THR 71 HA THR 71 -10.426 10.749 9.052 532 HB THR 71 1HB THR 71 -8.937 10.398 6.423 533 HG1 THR 71 HG1 THR 71 -7.498 10.490 8.164 534 1HG2 THR 71 1HG2 THR 71 -10.198 12.807 7.822 535 2HG2 THR 71 2HG2 THR 71 -9.229 12.880 6.344 536 H ALA 72 H ALA 72 -10.209 8.311 6.402 537 HA ALA 72 HA ALA 72 -12.964 8.879 5.568 538 1HB ALA 72 1HB ALA 72 -10.826 7.047 4.454 539 2HB ALA 72 2HB ALA 72 -12.431 7.314 3.738 540 3HB ALA 72 3HB ALA 72 -11.282 8.658 3.865 541 H TYR 73 H TYR 73 -14.020 8.146 7.524 542 HA TYR 73 HA TYR 73 -14.375 5.184 7.667 543 1HB TYR 73 1HB TYR 73 -14.601 5.343 10.062 544 2HB TYR 73 2HB TYR 73 -13.021 5.900 9.533 545 HD1 TYR 73 HD1 TYR 73 -12.315 8.221 9.774 546 HD2 TYR 73 HD2 TYR 73 -16.204 6.918 11.094 547 HE1 TYR 73 HE1 TYR 73 -12.657 10.397 10.908 548 HE2 TYR 73 HE2 TYR 73 -16.542 9.088 12.238 549 HH TYR 73 HH TYR 73 -14.093 11.704 12.146 550 H LYS 74 H LYS 74 -15.796 8.408 8.270 551 HA LYS 74 HA LYS 74 -18.325 7.617 9.113 552 1HB LYS 74 1HB LYS 74 -17.333 9.862 9.348 553 2HB LYS 74 2HB LYS 74 -17.481 10.127 7.614 554 1HG LYS 74 1HG LYS 74 -20.051 9.660 8.015 555 2HG LYS 74 2HG LYS 74 -19.656 9.990 9.707 556 1HD LYS 74 1HD LYS 74 -19.186 11.811 7.296 557 2HD LYS 74 2HD LYS 74 -20.446 12.006 8.522 558 1HE LYS 74 1HE LYS 74 -18.707 12.376 10.257 559 2HE LYS 74 2HE LYS 74 -17.438 12.207 9.023 560 1HZ LYS 74 1HZ LYS 74 -19.532 14.252 9.028 561 2HZ LYS 74 2HZ LYS 74 -17.948 14.476 9.432 562 3HZ LYS 74 3HZ LYS 74 -18.356 14.072 7.886 563 H GLU 75 H GLU 75 -17.701 9.074 5.880 564 HA GLU 75 HA GLU 75 -20.110 8.059 4.762 565 1HB GLU 75 1HB GLU 75 -18.850 10.181 4.128 566 2HB GLU 75 2HB GLU 75 -17.645 9.144 3.355 567 1HG GLU 75 1HG GLU 75 -19.093 9.950 1.648 568 2HG GLU 75 2HG GLU 75 -19.471 8.243 1.855 569 H PHE 76 H PHE 76 -16.722 6.991 4.743 570 HA PHE 76 HA PHE 76 -16.776 5.081 2.696 571 1HB PHE 76 1HB PHE 76 -14.725 5.880 3.701 572 2HB PHE 76 2HB PHE 76 -15.212 5.285 5.285 573 HD1 PHE 76 HD1 PHE 76 -14.476 4.068 1.803 574 HD2 PHE 76 HD2 PHE 76 -14.523 3.140 6.014 575 HE1 PHE 76 HE1 PHE 76 -13.465 1.843 1.335 576 HE2 PHE 76 HE2 PHE 76 -13.500 0.935 5.537 577 HZ PHE 76 1HZ PHE 76 -12.967 0.288 3.194 578 H ARG 77 H ARG 77 -17.098 2.866 2.646 579 HA ARG 77 HA ARG 77 -17.918 1.352 4.982 580 1HB ARG 77 1HB ARG 77 -20.049 2.405 4.380 581 2HB ARG 77 2HB ARG 77 -19.891 1.858 2.706 582 1HG ARG 77 1HG ARG 77 -20.155 -0.442 3.328 583 2HG ARG 77 2HG ARG 77 -19.942 -0.086 5.057 584 1HD ARG 77 1HD ARG 77 -22.036 1.080 5.166 585 2HD ARG 77 2HD ARG 77 -22.207 1.050 3.395 586 HE ARG 77 HE ARG 77 -22.005 -1.606 4.489 587 1HH1 ARG 77 1HH1 ARG 77 -24.285 1.097 4.056 588 2HH1 ARG 77 2HH1 ARG 77 -25.686 0.054 4.017 589 1HH2 ARG 77 1HH2 ARG 77 -23.862 -2.938 4.433 590 2HH2 ARG 77 2HH2 ARG 77 -25.450 -2.230 4.235 591 H VAL 78 H VAL 78 -17.527 -0.812 4.702 592 HA VAL 78 HA VAL 78 -16.069 -1.629 2.279 593 HB VAL 78 HB VAL 78 -16.601 -3.047 4.922 594 1HG1 VAL 78 1HG1 VAL 78 -14.780 -3.784 2.584 595 2HG1 VAL 78 2HG1 VAL 78 -14.755 -4.558 4.181 596 3HG1 VAL 78 3HG1 VAL 78 -16.185 -4.707 3.163 597 1HG2 VAL 78 1HG2 VAL 78 -15.138 -1.048 5.169 598 2HG2 VAL 78 2HG2 VAL 78 -14.240 -2.551 5.407 599 3HG2 VAL 78 3HG2 VAL 78 -14.092 -1.673 3.872 600 H VAL 79 H VAL 79 -16.829 -3.019 0.793 601 HA VAL 79 HA VAL 79 -19.447 -4.418 1.182 602 HB VAL 79 HB VAL 79 -17.954 -3.641 -1.344 603 1HG1 VAL 79 1HG1 VAL 79 -20.561 -5.178 -0.996 604 2HG1 VAL 79 2HG1 VAL 79 -19.944 -4.551 -2.537 605 3HG1 VAL 79 3HG1 VAL 79 -19.049 -5.813 -1.685 606 1HG2 VAL 79 1HG2 VAL 79 -19.174 -1.754 -0.268 607 2HG2 VAL 79 2HG2 VAL 79 -19.879 -2.228 -1.823 608 3HG2 VAL 79 3HG2 VAL 79 -20.654 -2.738 -0.310 609 H GLU 80 H GLU 80 -16.202 -4.701 -0.355 610 HA GLU 80 HA GLU 80 -15.755 -7.348 0.797 611 1HB GLU 80 1HB GLU 80 -17.243 -7.627 -1.279 612 2HB GLU 80 2HB GLU 80 -15.880 -7.075 -2.246 613 1HG GLU 80 1HG GLU 80 -15.974 -9.495 -0.380 614 2HG GLU 80 2HG GLU 80 -16.105 -9.541 -2.140 615 H LEU 81 H LEU 81 -13.742 -6.963 1.572 616 HA LEU 81 HA LEU 81 -11.832 -5.318 0.054 617 1HB LEU 81 1HB LEU 81 -10.450 -5.350 1.988 618 2HB LEU 81 2HB LEU 81 -12.106 -4.964 2.439 619 HG LEU 81 HG LEU 81 -12.151 -7.651 2.912 620 1HD1 LEU 81 1HD1 LEU 81 -9.699 -7.925 2.293 621 2HD1 LEU 81 2HD1 LEU 81 -9.293 -6.773 3.572 622 3HD1 LEU 81 3HD1 LEU 81 -10.044 -8.327 3.980 623 1HD2 LEU 81 1HD2 LEU 81 -11.071 -5.511 4.789 624 2HD2 LEU 81 2HD2 LEU 81 -12.781 -5.905 4.510 625 3HD2 LEU 81 3HD2 LEU 81 -11.716 -7.091 5.281 626 H ASP 82 H ASP 82 -10.179 -6.113 -1.148 627 HA ASP 82 HA ASP 82 -10.128 -8.908 -1.802 628 1HB ASP 82 1HB ASP 82 -8.303 -6.604 -2.556 629 2HB ASP 82 2HB ASP 82 -8.129 -8.254 -3.159 630 HA PRO 83 HA PRO 83 -7.662 -9.772 1.777 631 1HB PRO 83 1HB PRO 83 -7.067 -12.432 1.426 632 2HB PRO 83 2HB PRO 83 -8.686 -11.811 1.845 633 1HG PRO 83 1HG PRO 83 -7.665 -12.567 -0.901 634 2HG PRO 83 2HG PRO 83 -9.215 -13.008 -0.139 635 1HD PRO 83 1HD PRO 83 -9.002 -10.928 -1.888 636 2HD PRO 83 2HD PRO 83 -10.107 -10.853 -0.480 637 H SER 84 H SER 84 -6.220 -11.204 -1.218 638 HA SER 84 HA SER 84 -3.522 -11.053 -0.204 639 1HB SER 84 1HB SER 84 -4.636 -11.612 -2.983 640 2HB SER 84 2HB SER 84 -2.935 -11.790 -2.498 641 HG SER 84 HG SER 84 -3.633 -13.288 -0.921 642 H ALA 85 H ALA 85 -2.974 -8.952 0.299 643 HA ALA 85 HA ALA 85 -3.447 -6.674 -1.360 644 1HB ALA 85 1HB ALA 85 -1.410 -7.160 0.851 645 2HB ALA 85 2HB ALA 85 -1.824 -5.581 0.151 646 3HB ALA 85 3HB ALA 85 -3.051 -6.507 1.046 647 H LYS 86 H LYS 86 -2.267 -5.826 -2.993 648 HA LYS 86 HA LYS 86 0.012 -7.396 -4.030 649 1HB LYS 86 1HB LYS 86 -0.368 -6.223 -6.136 650 2HB LYS 86 2HB LYS 86 -1.673 -7.265 -5.569 651 1HG LYS 86 1HG LYS 86 -2.828 -5.126 -4.707 652 2HG LYS 86 2HG LYS 86 -1.666 -4.228 -5.693 653 1HD LYS 86 1HD LYS 86 -3.568 -6.430 -6.638 654 2HD LYS 86 2HD LYS 86 -3.906 -4.704 -6.762 655 1HE LYS 86 1HE LYS 86 -1.528 -6.041 -8.133 656 2HE LYS 86 2HE LYS 86 -3.109 -5.792 -8.883 657 1HZ LYS 86 1HZ LYS 86 -2.878 -3.467 -8.560 658 2HZ LYS 86 2HZ LYS 86 -1.418 -3.658 -7.822 659 3HZ LYS 86 3HZ LYS 86 -1.593 -4.044 -9.416 660 H ILE 87 H ILE 87 1.891 -6.828 -3.320 661 HA ILE 87 HA ILE 87 2.614 -4.147 -2.433 662 HB ILE 87 HB ILE 87 4.169 -6.747 -2.776 663 1HG1 ILE 87 1HG1 ILE 87 4.328 -6.816 -0.372 664 2HG1 ILE 87 2HG1 ILE 87 3.425 -5.273 -0.228 665 1HG2 ILE 87 1HG2 ILE 87 5.061 -4.040 -1.689 666 2HG2 ILE 87 2HG2 ILE 87 5.964 -5.547 -1.454 667 3HG2 ILE 87 3HG2 ILE 87 5.751 -4.902 -3.079 668 1HD1 ILE 87 1HD1 ILE 87 2.249 -7.819 -1.413 669 2HD1 ILE 87 2HD1 ILE 87 2.145 -7.410 0.309 670 3HD1 ILE 87 3HD1 ILE 87 1.378 -6.355 -0.875 671 H GLU 88 H GLU 88 3.006 -2.633 -3.963 672 HA GLU 88 HA GLU 88 4.262 -3.401 -6.577 673 1HB GLU 88 1HB GLU 88 2.342 -1.145 -5.881 674 2HB GLU 88 2HB GLU 88 3.119 -1.413 -7.450 675 1HG GLU 88 1HG GLU 88 2.041 -3.684 -7.536 676 2HG GLU 88 2HG GLU 88 1.174 -3.290 -6.050 677 H VAL 89 H VAL 89 6.183 -3.343 -4.967 678 HA VAL 89 HA VAL 89 7.040 -0.833 -3.990 679 HB VAL 89 HB VAL 89 7.710 -2.908 -2.986 680 1HG1 VAL 89 1HG1 VAL 89 8.045 -4.281 -5.063 681 2HG1 VAL 89 2HG1 VAL 89 9.585 -3.428 -5.321 682 3HG1 VAL 89 3HG1 VAL 89 9.347 -4.410 -3.871 683 1HG2 VAL 89 1HG2 VAL 89 9.092 -0.904 -2.621 684 2HG2 VAL 89 2HG2 VAL 89 10.079 -2.374 -2.600 685 3HG2 VAL 89 3HG2 VAL 89 10.094 -1.315 -4.020 686 H THR 90 H THR 90 7.700 0.876 -5.076 687 HA THR 90 HA THR 90 8.896 0.552 -7.790 688 HB THR 90 HB THR 90 7.454 2.986 -6.685 689 HG1 THR 90 HG1 THR 90 6.462 0.935 -8.355 690 1HG2 THR 90 1HG2 THR 90 8.237 2.048 -9.497 691 2HG2 THR 90 2HG2 THR 90 7.308 3.510 -9.128 692 H TYR 91 H TYR 91 11.026 0.504 -7.438 693 HA TYR 91 HA TYR 91 12.358 2.438 -5.628 694 1HB TYR 91 1HB TYR 91 14.407 1.063 -6.429 695 2HB TYR 91 2HB TYR 91 13.302 0.424 -5.231 696 HD1 TYR 91 HD1 TYR 91 11.787 -1.422 -5.671 697 HD2 TYR 91 HD2 TYR 91 14.526 -0.013 -8.689 698 HE1 TYR 91 HE1 TYR 91 11.438 -3.507 -6.962 699 HE2 TYR 91 HE2 TYR 91 14.121 -2.065 -10.005 700 HH TYR 91 HH TYR 91 13.048 -4.105 -10.101 701 H TYR 92 H TYR 92 12.423 4.395 -6.566 702 HA TYR 92 HA TYR 92 12.848 4.780 -9.428 703 1HB TYR 92 1HB TYR 92 12.730 6.821 -7.175 704 2HB TYR 92 2HB TYR 92 12.629 7.136 -8.901 705 HD1 TYR 92 HD1 TYR 92 10.859 5.759 -5.943 706 HD2 TYR 92 HD2 TYR 92 10.547 6.772 -10.125 707 HE1 TYR 92 HE1 TYR 92 8.402 5.462 -5.835 708 HE2 TYR 92 HE2 TYR 92 8.077 6.615 -9.965 709 HH TYR 92 HH TYR 92 6.279 6.050 -8.659 710 H ASP 93 H ASP 93 14.910 3.388 -9.002 711 HA ASP 93 HA ASP 93 17.242 4.933 -8.032 712 1HB ASP 93 1HB ASP 93 16.783 2.669 -7.140 713 2HB ASP 93 2HB ASP 93 16.872 1.998 -8.767 714 H LYS 94 H LYS 94 17.331 6.396 -9.843 715 HA LYS 94 HA LYS 94 17.705 5.341 -12.551 716 1HB LYS 94 1HB LYS 94 17.883 7.655 -13.194 717 2HB LYS 94 2HB LYS 94 16.448 7.389 -12.211 718 1HG LYS 94 1HG LYS 94 17.102 8.859 -10.622 719 2HG LYS 94 2HG LYS 94 18.734 8.194 -10.535 720 1HD LYS 94 1HD LYS 94 19.315 9.433 -12.657 721 2HD LYS 94 2HD LYS 94 17.695 10.149 -12.633 722 1HE LYS 94 1HE LYS 94 19.337 11.706 -11.737 723 2HE LYS 94 2HE LYS 94 18.216 11.225 -10.456 724 1HZ LYS 94 1HZ LYS 94 20.900 10.104 -10.896 725 2HZ LYS 94 2HZ LYS 94 20.511 11.226 -9.753 726 3HZ LYS 94 3HZ LYS 94 19.881 9.707 -9.663 727 H ASN 95 H ASN 95 19.553 4.068 -11.146 728 HA ASN 95 HA ASN 95 22.169 5.413 -11.655 729 1HB ASN 95 1HB ASN 95 21.458 3.815 -9.164 730 2HB ASN 95 2HB ASN 95 22.959 4.679 -9.507 731 1HD2 ASN 95 1HD2 ASN 95 19.654 6.635 -8.022 732 2HD2 ASN 95 2HD2 ASN 95 19.588 4.963 -8.523 733 H LYS 96 H LYS 96 20.376 2.390 -10.950 734 HA LYS 96 HA LYS 96 22.274 0.848 -12.630 735 1HB LYS 96 1HB LYS 96 23.093 0.668 -10.345 736 2HB LYS 96 2HB LYS 96 21.480 0.286 -9.742 737 1HG LYS 96 1HG LYS 96 22.855 -1.705 -9.843 738 2HG LYS 96 2HG LYS 96 21.496 -1.864 -10.960 739 1HD LYS 96 1HD LYS 96 22.973 -1.328 -12.868 740 2HD LYS 96 2HD LYS 96 24.329 -1.039 -11.754 741 1HE LYS 96 1HE LYS 96 24.212 -3.404 -11.013 742 2HE LYS 96 2HE LYS 96 22.844 -3.681 -12.111 743 1HZ LYS 96 1HZ LYS 96 24.280 -3.143 -13.934 744 2HZ LYS 96 2HZ LYS 96 25.549 -2.885 -12.914 745 3HZ LYS 96 3HZ LYS 96 24.900 -4.395 -13.056 746 H LYS 97 H LYS 97 19.392 0.331 -10.515 747 HA LYS 97 HA LYS 97 18.591 -1.801 -12.299 748 1HB LYS 97 1HB LYS 97 18.729 -1.866 -9.769 749 2HB LYS 97 2HB LYS 97 17.218 -0.937 -9.745 750 1HG LYS 97 1HG LYS 97 16.095 -2.743 -11.010 751 2HG LYS 97 2HG LYS 97 17.631 -3.611 -11.178 752 1HD LYS 97 1HD LYS 97 17.773 -3.863 -8.739 753 2HD LYS 97 2HD LYS 97 16.234 -2.997 -8.542 754 1HE LYS 97 1HE LYS 97 15.121 -4.769 -9.928 755 2HE LYS 97 2HE LYS 97 16.662 -5.644 -9.989 756 1HZ LYS 97 1HZ LYS 97 16.600 -5.784 -7.607 757 2HZ LYS 97 2HZ LYS 97 15.166 -4.971 -7.555 758 3HZ LYS 97 3HZ LYS 97 15.245 -6.459 -8.262 759 H LYS 98 H LYS 98 17.525 1.492 -11.804 760 HA LYS 98 HA LYS 98 16.059 2.769 -12.888 761 1HB LYS 98 1HB LYS 98 16.640 1.419 -14.897 762 2HB LYS 98 2HB LYS 98 15.242 0.375 -14.588 763 1HG LYS 98 1HG LYS 98 13.704 2.209 -14.889 764 2HG LYS 98 2HG LYS 98 15.044 3.364 -15.076 765 1HD LYS 98 1HD LYS 98 15.778 2.168 -17.103 766 2HD LYS 98 2HD LYS 98 14.494 0.963 -16.886 767 1HE LYS 98 1HE LYS 98 14.033 3.947 -17.341 768 2HE LYS 98 2HE LYS 98 13.937 2.690 -18.588 769 1HZ LYS 98 1HZ LYS 98 12.177 1.667 -17.339 770 2HZ LYS 98 2HZ LYS 98 12.234 2.862 -16.206 771 3HZ LYS 98 3HZ LYS 98 11.792 3.215 -17.752 772 H GLU 99 H GLU 99 13.762 3.291 -12.994 773 HA GLU 99 HA GLU 99 12.105 2.445 -10.873 774 1HB GLU 99 1HB GLU 99 11.834 4.554 -12.136 775 2HB GLU 99 2HB GLU 99 11.346 3.618 -13.562 776 1HG GLU 99 1HG GLU 99 9.433 2.655 -12.153 777 2HG GLU 99 2HG GLU 99 9.938 3.744 -10.853 778 H GLU 100 H GLU 100 11.253 0.482 -10.569 779 HA GLU 100 HA GLU 100 9.776 -0.812 -12.775 780 1HB GLU 100 1HB GLU 100 11.758 -2.274 -10.997 781 2HB GLU 100 2HB GLU 100 10.564 -3.049 -12.043 782 1HG GLU 100 1HG GLU 100 11.646 -1.987 -14.022 783 2HG GLU 100 2HG GLU 100 12.881 -1.291 -12.957 784 H THR 101 H THR 101 7.779 -0.644 -11.993 785 HA THR 101 HA THR 101 7.118 -0.767 -9.155 786 HB THR 101 HB THR 101 5.380 -0.756 -11.665 787 HG1 THR 101 HG1 THR 101 5.163 1.436 -11.105 788 1HG2 THR 101 1HG2 THR 101 3.596 0.012 -10.115 789 2HG2 THR 101 2HG2 THR 101 4.129 -1.624 -9.706 790 H LYS 102 H LYS 102 8.014 -2.759 -8.552 791 HA LYS 102 HA LYS 102 7.480 -5.166 -10.032 792 1HB LYS 102 1HB LYS 102 9.625 -4.663 -8.907 793 2HB LYS 102 2HB LYS 102 8.824 -4.696 -7.345 794 1HG LYS 102 1HG LYS 102 10.035 -6.778 -7.785 795 2HG LYS 102 2HG LYS 102 8.312 -7.065 -7.580 796 1HD LYS 102 1HD LYS 102 9.280 -8.424 -9.389 797 2HD LYS 102 2HD LYS 102 7.994 -7.373 -9.971 798 1HE LYS 102 1HE LYS 102 9.879 -7.445 -11.544 799 2HE LYS 102 2HE LYS 102 9.685 -5.808 -10.913 800 1HZ LYS 102 1HZ LYS 102 11.634 -7.794 -9.973 801 2HZ LYS 102 2HZ LYS 102 11.960 -6.502 -10.946 802 3HZ LYS 102 3HZ LYS 102 11.472 -6.259 -9.391 803 H SER 103 H SER 103 5.356 -5.696 -10.025 804 HA SER 103 HA SER 103 3.686 -5.496 -7.635 805 1HB SER 103 1HB SER 103 3.055 -6.350 -10.484 806 2HB SER 103 2HB SER 103 1.877 -6.026 -9.194 807 HG SER 103 HG SER 103 3.739 -4.175 -10.277 808 H PHE 104 H PHE 104 3.052 -7.192 -6.372 809 HA PHE 104 HA PHE 104 2.838 -9.856 -7.391 810 1HB PHE 104 1HB PHE 104 4.439 -10.930 -5.823 811 2HB PHE 104 2HB PHE 104 5.215 -9.981 -7.074 812 HD1 PHE 104 HD1 PHE 104 6.337 -7.839 -6.545 813 HD2 PHE 104 HD2 PHE 104 4.671 -10.338 -3.461 814 HE1 PHE 104 HE1 PHE 104 7.688 -6.642 -4.840 815 HE2 PHE 104 HE2 PHE 104 5.970 -9.105 -1.756 816 HZ PHE 104 1HZ PHE 104 7.520 -7.285 -2.444 817 HA PRO 105 HA PRO 105 -0.096 -9.708 -3.987 818 1HB PRO 105 1HB PRO 105 -1.011 -12.264 -3.972 819 2HB PRO 105 2HB PRO 105 -1.284 -11.180 -5.365 820 1HG PRO 105 1HG PRO 105 0.942 -13.217 -5.031 821 2HG PRO 105 2HG PRO 105 -0.206 -13.076 -6.398 822 1HD PRO 105 1HD PRO 105 2.262 -11.946 -6.491 823 2HD PRO 105 2HD PRO 105 0.844 -11.102 -7.185 824 H ILE 106 H ILE 106 -0.595 -11.153 -1.919 825 HA ILE 106 HA ILE 106 1.864 -12.337 -0.808 826 HB ILE 106 HB ILE 106 1.676 -9.842 -0.253 827 1HG1 ILE 106 1HG1 ILE 106 2.213 -10.168 2.182 828 2HG1 ILE 106 2HG1 ILE 106 1.867 -11.920 1.948 829 1HG2 ILE 106 1HG2 ILE 106 -0.820 -9.919 0.193 830 2HG2 ILE 106 2HG2 ILE 106 -0.439 -10.757 1.709 831 3HG2 ILE 106 3HG2 ILE 106 0.153 -9.112 1.438 832 1HD1 ILE 106 1HD1 ILE 106 3.950 -10.285 0.413 833 2HD1 ILE 106 2HD1 ILE 106 4.300 -11.316 1.812 834 3HD1 ILE 106 3HD1 ILE 106 3.720 -12.046 0.315 835 H THR 107 H THR 107 1.590 -13.878 0.733 836 HA THR 107 HA THR 107 -1.039 -15.215 0.576 837 HB THR 107 HB THR 107 0.248 -17.233 1.050 838 HG1 THR 107 HG1 THR 107 2.499 -17.064 1.297 839 1HG2 THR 107 1HG2 THR 107 1.626 -17.337 -0.933 840 2HG2 THR 107 2HG2 THR 107 0.153 -16.418 -1.295 841 H GLU 108 H GLU 108 -1.278 -16.845 2.487 842 HA GLU 108 HA GLU 108 -2.008 -15.482 4.824 843 1HB GLU 108 1HB GLU 108 -2.595 -17.573 5.715 844 2HB GLU 108 2HB GLU 108 -2.981 -17.607 3.996 845 1HG GLU 108 1HG GLU 108 -0.592 -18.949 5.356 846 2HG GLU 108 2HG GLU 108 -2.054 -19.734 4.775 847 H LYS 109 H LYS 109 1.014 -17.170 4.046 848 HA LYS 109 HA LYS 109 2.063 -16.852 6.774 849 1HB LYS 109 1HB LYS 109 2.458 -18.913 5.474 850 2HB LYS 109 2HB LYS 109 3.317 -17.971 4.241 851 1HG LYS 109 1HG LYS 109 5.014 -17.302 5.941 852 2HG LYS 109 2HG LYS 109 4.085 -18.139 7.193 853 1HD LYS 109 1HD LYS 109 5.935 -19.522 6.573 854 2HD LYS 109 2HD LYS 109 4.454 -20.302 5.995 855 1HE LYS 109 1HE LYS 109 4.911 -19.504 3.701 856 2HE LYS 109 2HE LYS 109 6.319 -18.590 4.282 857 1HZ LYS 109 1HZ LYS 109 7.310 -20.657 4.916 858 2HZ LYS 109 2HZ LYS 109 5.999 -21.502 4.380 859 3HZ LYS 109 3HZ LYS 109 6.934 -20.662 3.310 860 H GLY 110 H GLY 110 2.813 -15.749 3.427 861 1HA GLY 110 1HA GLY 110 3.865 -13.899 2.623 862 2HA GLY 110 2HA GLY 110 3.595 -13.117 4.186 863 H PHE 111 H PHE 111 5.657 -12.199 4.410 864 HA PHE 111 HA PHE 111 7.799 -13.945 5.300 865 1HB PHE 111 1HB PHE 111 9.458 -13.199 3.670 866 2HB PHE 111 2HB PHE 111 8.165 -14.079 2.875 867 HD1 PHE 111 HD1 PHE 111 9.751 -10.767 3.326 868 HD2 PHE 111 HD2 PHE 111 6.618 -12.945 1.322 869 HE1 PHE 111 HE1 PHE 111 9.352 -8.825 1.845 870 HE2 PHE 111 HE2 PHE 111 6.286 -11.033 -0.218 871 HZ PHE 111 1HZ PHE 111 7.618 -8.949 0.072 872 H VAL 112 H VAL 112 9.474 -12.809 6.368 873 HA VAL 112 HA VAL 112 8.728 -10.208 7.463 874 HB VAL 112 HB VAL 112 11.026 -12.144 7.915 875 1HG1 VAL 112 1HG1 VAL 112 10.604 -9.371 9.079 876 2HG1 VAL 112 2HG1 VAL 112 11.614 -10.609 9.860 877 3HG1 VAL 112 3HG1 VAL 112 12.049 -9.998 8.260 878 1HG2 VAL 112 1HG2 VAL 112 8.779 -12.710 8.877 879 2HG2 VAL 112 2HG2 VAL 112 9.988 -12.379 10.127 880 3HG2 VAL 112 3HG2 VAL 112 8.776 -11.147 9.723 881 H VAL 113 H VAL 113 9.500 -8.261 6.887 882 HA VAL 113 HA VAL 113 10.862 -7.896 4.425 883 HB VAL 113 HB VAL 113 10.469 -5.900 6.687 884 1HG1 VAL 113 1HG1 VAL 113 12.109 -5.163 4.950 885 2HG1 VAL 113 2HG1 VAL 113 10.896 -5.480 3.692 886 3HG1 VAL 113 3HG1 VAL 113 10.622 -4.209 4.900 887 1HG2 VAL 113 1HG2 VAL 113 8.656 -6.615 4.347 888 2HG2 VAL 113 2HG2 VAL 113 8.299 -6.777 6.086 889 3HG2 VAL 113 3HG2 VAL 113 8.468 -5.174 5.369 890 HA PRO 114 HA PRO 114 14.919 -8.593 6.279 891 1HB PRO 114 1HB PRO 114 16.555 -8.045 4.133 892 2HB PRO 114 2HB PRO 114 15.573 -9.520 4.311 893 1HG PRO 114 1HG PRO 114 14.900 -7.067 2.681 894 2HG PRO 114 2HG PRO 114 14.735 -8.782 2.238 895 1HD PRO 114 1HD PRO 114 12.652 -7.260 3.166 896 2HD PRO 114 2HD PRO 114 12.772 -9.015 3.491 897 H ASP 115 H ASP 115 15.555 -5.876 4.027 898 HA ASP 115 HA ASP 115 15.435 -3.785 5.963 899 1HB ASP 115 1HB ASP 115 17.485 -4.806 6.866 900 2HB ASP 115 2HB ASP 115 18.203 -4.866 5.253 901 H LEU 116 H LEU 116 17.322 -4.870 3.131 902 HA LEU 116 HA LEU 116 17.582 -4.171 1.073 903 1HB LEU 116 1HB LEU 116 15.099 -4.099 1.053 904 2HB LEU 116 2HB LEU 116 15.139 -2.378 1.423 905 HG LEU 116 HG LEU 116 14.722 -2.838 -0.914 906 1HD1 LEU 116 1HD1 LEU 116 16.069 -0.771 -0.125 907 2HD1 LEU 116 2HD1 LEU 116 17.465 -1.566 -0.880 908 3HD1 LEU 116 3HD1 LEU 116 16.029 -1.159 -1.839 909 1HD2 LEU 116 1HD2 LEU 116 16.060 -4.952 -1.086 910 2HD2 LEU 116 2HD2 LEU 116 16.315 -3.824 -2.425 911 3HD2 LEU 116 3HD2 LEU 116 17.540 -3.970 -1.161 912 H SER 117 H SER 117 19.531 -3.239 1.174 913 HA SER 117 HA SER 117 19.791 -0.474 0.616 914 1HB SER 117 1HB SER 117 19.499 -0.141 3.061 915 2HB SER 117 2HB SER 117 20.787 -1.313 3.384 916 HG SER 117 HG SER 117 21.026 1.117 1.931 917 H GLU 118 H GLU 118 20.695 -1.803 -1.163 918 HA GLU 118 HA GLU 118 23.566 -2.237 -0.807 919 1HB GLU 118 1HB GLU 118 22.541 -4.352 -0.033 920 2HB GLU 118 2HB GLU 118 21.772 -4.587 -1.596 921 1HG GLU 118 1HG GLU 118 24.793 -4.299 -1.184 922 2HG GLU 118 2HG GLU 118 23.943 -5.846 -1.131 923 H HIS 119 H HIS 119 21.204 -3.439 -3.225 924 HA HIS 119 HA HIS 119 22.843 -2.261 -5.364 925 1HB HIS 119 1HB HIS 119 21.313 -3.569 -6.842 926 2HB HIS 119 2HB HIS 119 22.319 -4.493 -5.735 927 HD1 HIS 119 HD1 HIS 119 20.991 -5.538 -3.517 928 HD2 HIS 119 HD2 HIS 119 18.739 -4.091 -6.754 929 HE1 HIS 119 HE1 HIS 119 18.645 -6.524 -3.275 930 H ILE 120 H ILE 120 19.414 -2.176 -4.301 931 HA ILE 120 HA ILE 120 19.161 0.569 -5.465 932 HB ILE 120 HB ILE 120 16.709 0.220 -5.111 933 1HG1 ILE 120 1HG1 ILE 120 17.302 -2.757 -5.054 934 2HG1 ILE 120 2HG1 ILE 120 17.154 -1.824 -3.553 935 1HG2 ILE 120 1HG2 ILE 120 17.814 0.062 -7.319 936 2HG2 ILE 120 2HG2 ILE 120 18.072 -1.673 -7.074 937 3HG2 ILE 120 3HG2 ILE 120 16.426 -1.021 -7.202 938 1HD1 ILE 120 1HD1 ILE 120 14.876 -1.104 -4.254 939 2HD1 ILE 120 2HD1 ILE 120 15.034 -2.101 -5.724 940 3HD1 ILE 120 3HD1 ILE 120 15.010 -2.868 -4.133 941 H LYS 121 H LYS 121 17.713 1.969 -4.051 942 HA LYS 121 HA LYS 121 18.657 1.802 -1.224 943 1HB LYS 121 1HB LYS 121 20.276 2.949 -2.642 944 2HB LYS 121 2HB LYS 121 19.050 4.089 -3.200 945 1HG LYS 121 1HG LYS 121 19.467 3.843 -0.222 946 2HG LYS 121 2HG LYS 121 20.774 4.558 -1.168 947 1HD LYS 121 1HD LYS 121 19.339 6.272 -2.077 948 2HD LYS 121 2HD LYS 121 17.906 5.584 -1.294 949 1HE LYS 121 1HE LYS 121 18.880 6.011 0.921 950 2HE LYS 121 2HE LYS 121 20.364 6.633 0.169 951 1HZ LYS 121 1HZ LYS 121 17.689 7.800 -0.128 952 2HZ LYS 121 2HZ LYS 121 18.902 8.387 0.823 953 3HZ LYS 121 3HZ LYS 121 19.073 8.369 -0.818 954 H ASN 122 H ASN 122 16.188 2.904 -3.497 955 HA ASN 122 HA ASN 122 14.721 4.232 -1.261 956 1HB ASN 122 1HB ASN 122 14.071 5.958 -2.768 957 2HB ASN 122 2HB ASN 122 15.832 5.843 -2.738 958 1HD2 ASN 122 1HD2 ASN 122 15.982 4.540 -6.176 959 2HD2 ASN 122 2HD2 ASN 122 16.716 4.261 -4.614 960 HA PRO 123 HA PRO 123 12.010 1.076 -3.454 961 1HB PRO 123 1HB PRO 123 11.454 -0.631 -1.439 962 2HB PRO 123 2HB PRO 123 12.970 -0.737 -2.374 963 1HG PRO 123 1HG PRO 123 12.576 0.658 0.299 964 2HG PRO 123 2HG PRO 123 13.798 -0.564 -0.120 965 1HD PRO 123 1HD PRO 123 14.363 2.089 -0.258 966 2HD PRO 123 2HD PRO 123 14.965 0.978 -1.523 967 H GLY 124 H GLY 124 10.077 1.995 -3.720 968 1HA GLY 124 1HA GLY 124 8.657 3.320 -1.470 969 2HA GLY 124 2HA GLY 124 8.343 3.486 -3.206 970 H PHE 125 H PHE 125 8.231 1.146 -0.507 971 HA PHE 125 HA PHE 125 6.728 -0.912 -1.756 972 1HB PHE 125 1HB PHE 125 7.178 -0.100 1.119 973 2HB PHE 125 2HB PHE 125 6.189 -1.489 0.670 974 HD1 PHE 125 HD1 PHE 125 7.154 -3.484 -0.375 975 HD2 PHE 125 HD2 PHE 125 9.624 -0.203 0.933 976 HE1 PHE 125 HE1 PHE 125 9.137 -4.973 -0.386 977 HE2 PHE 125 HE2 PHE 125 11.595 -1.715 0.978 978 HZ PHE 125 1HZ PHE 125 11.358 -4.092 0.305 979 H ASN 126 H ASN 126 4.921 -0.217 -2.860 980 HA ASN 126 HA ASN 126 2.903 1.450 -1.483 981 1HB ASN 126 1HB ASN 126 2.986 0.375 -4.313 982 2HB ASN 126 2HB ASN 126 1.857 1.575 -3.661 983 1HD2 ASN 126 1HD2 ASN 126 4.790 3.173 -5.540 984 2HD2 ASN 126 2HD2 ASN 126 3.760 1.814 -5.934 985 H LEU 127 H LEU 127 1.928 0.183 0.036 986 HA LEU 127 HA LEU 127 0.919 -2.508 -0.584 987 1HB LEU 127 1HB LEU 127 0.841 -0.690 1.850 988 2HB LEU 127 2HB LEU 127 -0.151 -2.137 1.753 989 HG LEU 127 HG LEU 127 1.952 -2.423 3.011 990 1HD1 LEU 127 1HD1 LEU 127 0.717 -4.324 2.074 991 2HD1 LEU 127 2HD1 LEU 127 1.645 -4.223 0.576 992 3HD1 LEU 127 3HD1 LEU 127 2.460 -4.629 2.100 993 1HD2 LEU 127 1HD2 LEU 127 3.454 -1.069 1.543 994 2HD2 LEU 127 2HD2 LEU 127 4.082 -2.681 1.925 995 3HD2 LEU 127 3HD2 LEU 127 3.389 -2.369 0.327 996 H ILE 128 H ILE 128 -0.228 -1.785 -2.456 997 HA ILE 128 HA ILE 128 -2.682 -0.207 -2.053 998 HB ILE 128 HB ILE 128 -1.485 -1.498 -4.542 999 1HG1 ILE 128 1HG1 ILE 128 -1.323 1.305 -3.350 1000 2HG1 ILE 128 2HG1 ILE 128 0.001 0.178 -3.733 1001 1HG2 ILE 128 1HG2 ILE 128 -3.963 -1.181 -4.639 1002 2HG2 ILE 128 2HG2 ILE 128 -3.731 0.525 -4.210 1003 3HG2 ILE 128 3HG2 ILE 128 -3.123 -0.116 -5.756 1004 1HD1 ILE 128 1HD1 ILE 128 -0.497 0.462 -6.156 1005 2HD1 ILE 128 2HD1 ILE 128 -1.735 1.672 -5.745 1006 3HD1 ILE 128 3HD1 ILE 128 -0.040 1.970 -5.351 1007 H THR 129 H THR 129 -4.519 -1.186 -1.489 1008 HA THR 129 HA THR 129 -4.952 -4.083 -2.086 1009 HB THR 129 HB THR 129 -5.584 -2.638 0.520 1010 HG1 THR 129 HG1 THR 129 -3.957 -4.000 1.334 1011 1HG2 THR 129 1HG2 THR 129 -7.192 -4.458 -0.007 1012 2HG2 THR 129 2HG2 THR 129 -5.835 -5.568 -0.309 1013 H LYS 130 H LYS 130 -6.587 -4.071 -3.529 1014 HA LYS 130 HA LYS 130 -8.437 -1.951 -3.905 1015 1HB LYS 130 1HB LYS 130 -7.848 -3.522 -5.657 1016 2HB LYS 130 2HB LYS 130 -8.490 -4.879 -4.720 1017 1HG LYS 130 1HG LYS 130 -10.770 -3.931 -4.880 1018 2HG LYS 130 2HG LYS 130 -10.138 -2.543 -5.788 1019 1HD LYS 130 1HD LYS 130 -9.389 -4.021 -7.591 1020 2HD LYS 130 2HD LYS 130 -9.866 -5.459 -6.672 1021 1HE LYS 130 1HE LYS 130 -11.792 -3.291 -7.610 1022 2HE LYS 130 2HE LYS 130 -11.493 -4.822 -8.451 1023 1HZ LYS 130 1HZ LYS 130 -12.251 -5.977 -6.506 1024 2HZ LYS 130 2HZ LYS 130 -12.567 -4.555 -5.735 1025 3HZ LYS 130 3HZ LYS 130 -13.417 -4.966 -7.085 1026 H VAL 131 H VAL 131 -10.431 -1.542 -3.076 1027 HA VAL 131 HA VAL 131 -11.876 -3.659 -1.636 1028 HB VAL 131 HB VAL 131 -12.555 -2.257 0.179 1029 1HG1 VAL 131 1HG1 VAL 131 -10.418 -3.524 0.450 1030 2HG1 VAL 131 2HG1 VAL 131 -9.521 -2.063 0.005 1031 3HG1 VAL 131 3HG1 VAL 131 -10.522 -2.081 1.468 1032 1HG2 VAL 131 1HG2 VAL 131 -10.791 -0.063 -0.977 1033 2HG2 VAL 131 2HG2 VAL 131 -12.567 -0.039 -0.854 1034 3HG2 VAL 131 3HG2 VAL 131 -11.590 -0.032 0.612 1035 H VAL 132 H VAL 132 -14.098 -3.459 -1.720 1036 HA VAL 132 HA VAL 132 -15.141 -1.715 -3.888 1037 HB VAL 132 HB VAL 132 -16.239 -4.257 -2.627 1038 1HG1 VAL 132 1HG1 VAL 132 -17.171 -2.625 -5.026 1039 2HG1 VAL 132 2HG1 VAL 132 -17.846 -4.188 -4.529 1040 3HG1 VAL 132 3HG1 VAL 132 -18.057 -2.766 -3.502 1041 1HG2 VAL 132 1HG2 VAL 132 -14.917 -3.744 -5.321 1042 2HG2 VAL 132 2HG2 VAL 132 -14.247 -4.714 -3.993 1043 3HG2 VAL 132 3HG2 VAL 132 -15.703 -5.258 -4.831 1044 H ILE 133 H ILE 133 -16.879 -0.342 -3.493 1045 HA ILE 133 HA ILE 133 -17.624 0.164 -0.645 1046 HB ILE 133 HB ILE 133 -16.720 2.156 -2.757 1047 1HG1 ILE 133 1HG1 ILE 133 -15.509 1.396 -0.056 1048 2HG1 ILE 133 2HG1 ILE 133 -14.922 0.854 -1.652 1049 1HG2 ILE 133 1HG2 ILE 133 -17.774 2.652 0.063 1050 2HG2 ILE 133 2HG2 ILE 133 -17.046 3.884 -0.986 1051 3HG2 ILE 133 3HG2 ILE 133 -18.555 3.141 -1.459 1052 1HD1 ILE 133 1HD1 ILE 133 -14.501 3.250 -2.257 1053 2HD1 ILE 133 2HD1 ILE 133 -14.906 3.727 -0.591 1054 3HD1 ILE 133 3HD1 ILE 133 -13.527 2.670 -0.898 1055 H GLU 134 H GLU 134 -19.643 1.013 -0.285 1056 HA GLU 134 HA GLU 134 -21.556 1.156 -2.569 1057 1HB GLU 134 1HB GLU 134 -23.250 0.119 -1.191 1058 2HB GLU 134 2HB GLU 134 -21.882 -0.967 -1.425 1059 1HG GLU 134 1HG GLU 134 -21.030 -0.328 0.862 1060 2HG GLU 134 2HG GLU 134 -22.455 0.699 1.069 1061 H LYS 135 H LYS 135 -20.379 2.509 0.419 1062 HA LYS 135 HA LYS 135 -20.561 4.622 1.167 1063 1HB LYS 135 1HB LYS 135 -21.645 5.418 -0.926 1064 2HB LYS 135 2HB LYS 135 -23.238 5.022 -0.226 1065 1HG LYS 135 1HG LYS 135 -22.766 6.504 1.684 1066 2HG LYS 135 2HG LYS 135 -21.237 6.983 0.934 1067 1HD LYS 135 1HD LYS 135 -24.007 7.378 -0.317 1068 2HD LYS 135 2HD LYS 135 -23.182 8.561 0.694 1069 1HE LYS 135 1HE LYS 135 -22.680 9.334 -1.404 1070 2HE LYS 135 2HE LYS 135 -21.217 8.425 -0.997 1071 1HZ LYS 135 1HZ LYS 135 -23.467 7.473 -2.641 1072 2HZ LYS 135 2HZ LYS 135 -22.022 8.018 -3.218 1073 3HZ LYS 135 3HZ LYS 135 -22.085 6.628 -2.341 1074 H LYS 136 H LYS 136 -21.179 5.105 3.204 1075 HA LYS 136 HA LYS 136 -22.600 3.240 4.773 1076 1HB LYS 136 1HB LYS 136 -20.792 4.781 5.564 1077 2HB LYS 136 2HB LYS 136 -21.882 6.144 5.330 1078 1HG LYS 136 1HG LYS 136 -21.843 5.597 7.671 1079 2HG LYS 136 2HG LYS 136 -23.434 5.224 7.030 1080 1HD LYS 136 1HD LYS 136 -22.681 3.517 8.601 1081 2HD LYS 136 2HD LYS 136 -22.914 2.823 7.000 1082 1HE LYS 136 1HE LYS 136 -20.894 1.957 8.120 1083 2HE LYS 136 2HE LYS 136 -20.476 2.797 6.626 1084 1HZ LYS 136 1HZ LYS 136 -20.290 3.923 9.330 1085 2HZ LYS 136 2HZ LYS 136 -19.026 3.376 8.423 1086 3HZ LYS 136 3HZ LYS 136 -19.876 4.701 7.936 No H/Q in entry = 1086 Start of MODEL 20 1 H SER 1 H SER 1 -16.578 6.739 4.144 2 HA SER 1 HA SER 1 -19.441 7.245 3.773 3 1HB SER 1 1HB SER 1 -18.179 7.226 6.558 4 2HB SER 1 2HB SER 1 -19.827 7.727 6.157 5 HG SER 1 HG SER 1 -18.720 5.149 5.743 6 H SER 2 H SER 2 -16.582 8.466 5.575 7 HA SER 2 HA SER 2 -17.242 11.256 5.077 8 1HB SER 2 1HB SER 2 -14.821 9.937 6.369 9 2HB SER 2 2HB SER 2 -15.206 11.668 6.394 10 HG SER 2 HG SER 2 -15.913 10.551 8.267 11 H SER 3 H SER 3 -17.106 11.659 2.880 12 HA SER 3 HA SER 3 -14.899 10.692 1.251 13 1HB SER 3 1HB SER 3 -16.089 11.873 -0.559 14 2HB SER 3 2HB SER 3 -17.123 10.746 0.337 15 HG SER 3 HG SER 3 -18.135 12.757 -0.020 16 H PHE 4 H PHE 4 -13.222 11.669 2.601 17 HA PHE 4 HA PHE 4 -12.712 14.524 2.460 18 1HB PHE 4 1HB PHE 4 -11.190 12.060 3.311 19 2HB PHE 4 2HB PHE 4 -10.313 13.546 2.976 20 HD1 PHE 4 HD1 PHE 4 -13.639 12.998 4.726 21 HD2 PHE 4 HD2 PHE 4 -9.529 14.292 5.032 22 HE1 PHE 4 HE1 PHE 4 -14.041 13.757 7.040 23 HE2 PHE 4 HE2 PHE 4 -9.955 15.063 7.343 24 HZ PHE 4 1HZ PHE 4 -12.206 14.783 8.358 25 H ASP 5 H ASP 5 -11.053 15.507 1.217 26 HA ASP 5 HA ASP 5 -10.024 14.208 -1.200 27 1HB ASP 5 1HB ASP 5 -11.187 15.838 -2.700 28 2HB ASP 5 2HB ASP 5 -12.244 14.632 -1.974 29 H LYS 6 H LYS 6 -8.298 14.814 0.413 30 HA LYS 6 HA LYS 6 -7.614 17.689 0.496 31 1HB LYS 6 1HB LYS 6 -6.283 15.335 1.878 32 2HB LYS 6 2HB LYS 6 -6.094 17.055 2.244 33 1HG LYS 6 1HG LYS 6 -8.599 15.352 2.641 34 2HG LYS 6 2HG LYS 6 -7.517 15.968 3.889 35 1HD LYS 6 1HD LYS 6 -8.136 18.299 3.299 36 2HD LYS 6 2HD LYS 6 -9.250 17.691 2.054 37 1HE LYS 6 1HE LYS 6 -10.552 16.490 3.748 38 2HE LYS 6 2HE LYS 6 -9.454 17.068 5.022 39 1HZ LYS 6 1HZ LYS 6 -11.115 18.751 3.286 40 2HZ LYS 6 2HZ LYS 6 -11.421 18.389 4.867 41 3HZ LYS 6 3HZ LYS 6 -10.100 19.294 4.468 42 H GLY 7 H GLY 7 -7.414 17.123 -2.007 43 1HA GLY 7 1HA GLY 7 -6.122 17.086 -3.851 44 2HA GLY 7 2HA GLY 7 -4.945 17.917 -2.831 45 H LYS 8 H LYS 8 -5.889 14.570 -2.205 46 HA LYS 8 HA LYS 8 -4.686 12.732 -1.933 47 1HB LYS 8 1HB LYS 8 -3.744 13.404 -4.740 48 2HB LYS 8 2HB LYS 8 -3.643 11.811 -3.968 49 1HG LYS 8 1HG LYS 8 -6.158 11.904 -3.631 50 2HG LYS 8 2HG LYS 8 -6.184 13.330 -4.681 51 1HD LYS 8 1HD LYS 8 -5.137 10.563 -5.448 52 2HD LYS 8 2HD LYS 8 -6.720 11.228 -5.876 53 1HE LYS 8 1HE LYS 8 -5.590 13.069 -7.129 54 2HE LYS 8 2HE LYS 8 -4.017 12.328 -6.766 55 1HZ LYS 8 1HZ LYS 8 -4.730 10.377 -7.915 56 2HZ LYS 8 2HZ LYS 8 -6.188 11.061 -8.264 57 3HZ LYS 8 3HZ LYS 8 -4.806 11.696 -8.901 58 H TYR 9 H TYR 9 -3.436 14.622 -0.470 59 HA TYR 9 HA TYR 9 -0.584 14.806 -1.159 60 1HB TYR 9 1HB TYR 9 -2.090 15.735 1.302 61 2HB TYR 9 2HB TYR 9 -0.433 16.154 0.867 62 HD1 TYR 9 HD1 TYR 9 -0.883 16.765 -2.134 63 HD2 TYR 9 HD2 TYR 9 -2.991 17.924 1.454 64 HE1 TYR 9 HE1 TYR 9 -1.766 18.749 -3.290 65 HE2 TYR 9 HE2 TYR 9 -3.880 19.910 0.280 66 HH TYR 9 HH TYR 9 -3.106 20.613 -3.150 67 H LYS 10 H LYS 10 0.540 12.985 -0.926 68 HA LYS 10 HA LYS 10 -0.066 10.926 1.017 69 1HB LYS 10 1HB LYS 10 2.303 11.279 -0.857 70 2HB LYS 10 2HB LYS 10 1.853 9.799 -0.017 71 1HG LYS 10 1HG LYS 10 0.200 11.209 -2.146 72 2HG LYS 10 2HG LYS 10 1.278 9.858 -2.450 73 1HD LYS 10 1HD LYS 10 -1.077 9.608 -0.537 74 2HD LYS 10 2HD LYS 10 -1.215 9.412 -2.288 75 1HE LYS 10 1HE LYS 10 -1.039 7.249 -1.444 76 2HE LYS 10 2HE LYS 10 0.518 7.592 -2.200 77 1HZ LYS 10 1HZ LYS 10 -0.038 7.830 0.678 78 2HZ LYS 10 2HZ LYS 10 0.621 6.498 -0.031 79 3HZ LYS 10 3HZ LYS 10 1.439 7.922 -0.054 80 H LYS 11 H LYS 11 0.127 12.450 2.867 81 HA LYS 11 HA LYS 11 1.085 13.477 4.563 82 1HB LYS 11 1HB LYS 11 1.115 10.995 4.940 83 2HB LYS 11 2HB LYS 11 2.851 11.000 4.743 84 1HG LYS 11 1HG LYS 11 1.236 12.687 6.723 85 2HG LYS 11 2HG LYS 11 1.860 11.093 7.118 86 1HD LYS 11 1HD LYS 11 3.789 13.302 6.315 87 2HD LYS 11 2HD LYS 11 3.086 13.227 7.922 88 1HE LYS 11 1HE LYS 11 5.247 12.157 7.930 89 2HE LYS 11 2HE LYS 11 3.970 10.990 8.310 90 1HZ LYS 11 1HZ LYS 11 5.242 11.312 5.682 91 2HZ LYS 11 2HZ LYS 11 5.610 10.138 6.781 92 3HZ LYS 11 3HZ LYS 11 4.117 10.177 6.091 93 H GLY 12 H GLY 12 4.249 12.007 3.823 94 1HA GLY 12 1HA GLY 12 5.328 14.583 2.834 95 2HA GLY 12 2HA GLY 12 6.060 13.840 4.269 96 H ASP 13 H ASP 13 7.643 12.368 3.880 97 HA ASP 13 HA ASP 13 9.163 11.097 2.783 98 1HB ASP 13 1HB ASP 13 6.618 9.934 1.602 99 2HB ASP 13 2HB ASP 13 8.214 9.189 1.487 100 H ASP 14 H ASP 14 9.658 13.276 1.725 101 HA ASP 14 HA ASP 14 9.028 13.506 -1.128 102 1HB ASP 14 1HB ASP 14 10.766 15.170 0.731 103 2HB ASP 14 2HB ASP 14 10.375 15.567 -0.951 104 H ALA 15 H ALA 15 9.933 11.386 -1.620 105 HA ALA 15 HA ALA 15 12.889 11.399 -2.063 106 1HB ALA 15 1HB ALA 15 11.082 9.125 -1.145 107 2HB ALA 15 2HB ALA 15 12.771 8.944 -1.667 108 3HB ALA 15 3HB ALA 15 12.385 9.895 -0.217 109 H SER 16 H SER 16 12.076 12.448 -4.067 110 HA SER 16 HA SER 16 10.494 10.946 -5.949 111 1HB SER 16 1HB SER 16 10.624 13.444 -5.779 112 2HB SER 16 2HB SER 16 12.286 13.370 -6.399 113 HG SER 16 HG SER 16 9.948 12.412 -7.705 114 H TYR 17 H TYR 17 11.472 10.768 -8.280 115 HA TYR 17 HA TYR 17 13.644 8.828 -8.161 116 1HB TYR 17 1HB TYR 17 11.847 9.829 -10.389 117 2HB TYR 17 2HB TYR 17 13.137 8.649 -10.621 118 HD1 TYR 17 HD1 TYR 17 9.904 9.236 -8.824 119 HD2 TYR 17 HD2 TYR 17 12.871 6.355 -10.036 120 HE1 TYR 17 HE1 TYR 17 8.513 7.411 -7.895 121 HE2 TYR 17 HE2 TYR 17 11.491 4.533 -9.075 122 HH TYR 17 HH TYR 17 9.572 3.985 -7.944 123 H PHE 18 H PHE 18 15.217 10.391 -7.375 124 HA PHE 18 HA PHE 18 16.861 11.403 -9.558 125 1HB PHE 18 1HB PHE 18 15.450 13.366 -9.111 126 2HB PHE 18 2HB PHE 18 15.788 13.256 -7.388 127 HD1 PHE 18 HD1 PHE 18 17.573 13.563 -10.701 128 HD2 PHE 18 HD2 PHE 18 17.535 14.614 -6.517 129 HE1 PHE 18 HE1 PHE 18 19.604 14.951 -11.024 130 HE2 PHE 18 HE2 PHE 18 19.568 15.988 -6.847 131 HZ PHE 18 1HZ PHE 18 20.610 16.156 -9.097 132 H GLU 19 H GLU 19 17.877 9.460 -8.720 133 HA GLU 19 HA GLU 19 19.566 8.440 -7.713 134 1HB GLU 19 1HB GLU 19 20.247 11.071 -6.317 135 2HB GLU 19 2HB GLU 19 21.328 9.725 -6.646 136 1HG GLU 19 1HG GLU 19 21.062 10.075 -9.083 137 2HG GLU 19 2HG GLU 19 20.050 11.492 -8.771 138 HA PRO 20 HA PRO 20 18.425 7.014 -3.602 139 1HB PRO 20 1HB PRO 20 21.300 7.551 -2.819 140 2HB PRO 20 2HB PRO 20 20.241 6.196 -2.342 141 1HG PRO 20 1HG PRO 20 21.966 5.843 -4.369 142 2HG PRO 20 2HG PRO 20 20.261 5.354 -4.639 143 1HD PRO 20 1HD PRO 20 21.616 7.935 -5.448 144 2HD PRO 20 2HD PRO 20 20.595 6.858 -6.450 145 H THR 21 H THR 21 17.046 8.413 -2.684 146 HA THR 21 HA THR 21 18.034 10.850 -1.265 147 HB THR 21 HB THR 21 15.549 11.406 -1.255 148 HG1 THR 21 HG1 THR 21 15.517 9.440 -3.304 149 1HG2 THR 21 1HG2 THR 21 17.148 12.549 -2.734 150 2HG2 THR 21 2HG2 THR 21 16.969 11.265 -3.947 151 H GLY 22 H GLY 22 15.529 8.268 -0.949 152 1HA GLY 22 1HA GLY 22 16.549 7.166 1.373 153 2HA GLY 22 2HA GLY 22 15.392 8.394 1.915 154 HA PRO 23 HA PRO 23 13.144 4.470 0.230 155 1HB PRO 23 1HB PRO 23 13.087 3.608 3.095 156 2HB PRO 23 2HB PRO 23 13.173 2.573 1.639 157 1HG PRO 23 1HG PRO 23 15.394 2.981 3.135 158 2HG PRO 23 2HG PRO 23 15.507 3.121 1.354 159 1HD PRO 23 1HD PRO 23 15.165 5.372 3.363 160 2HD PRO 23 2HD PRO 23 16.364 5.189 2.055 161 H TYR 24 H TYR 24 10.893 3.938 0.655 162 HA TYR 24 HA TYR 24 9.387 5.358 2.669 163 1HB TYR 24 1HB TYR 24 8.018 6.683 1.157 164 2HB TYR 24 2HB TYR 24 9.694 7.196 1.088 165 HD1 TYR 24 HD1 TYR 24 11.156 6.430 -0.893 166 HD2 TYR 24 HD2 TYR 24 6.858 6.094 -0.840 167 HE1 TYR 24 HE1 TYR 24 11.139 6.307 -3.360 168 HE2 TYR 24 HE2 TYR 24 6.840 6.008 -3.317 169 HH TYR 24 HH TYR 24 9.852 6.149 -5.260 170 H LEU 25 H LEU 25 7.024 4.893 2.442 171 HA LEU 25 HA LEU 25 6.392 2.396 1.012 172 1HB LEU 25 1HB LEU 25 7.546 1.796 3.113 173 2HB LEU 25 2HB LEU 25 6.330 2.647 4.056 174 HG LEU 25 HG LEU 25 5.706 0.286 2.213 175 1HD1 LEU 25 1HD1 LEU 25 6.339 0.299 5.184 176 2HD1 LEU 25 2HD1 LEU 25 5.686 -1.086 4.277 177 3HD1 LEU 25 3HD1 LEU 25 7.287 -0.458 3.880 178 1HD2 LEU 25 1HD2 LEU 25 4.141 1.609 4.447 179 2HD2 LEU 25 2HD2 LEU 25 3.683 1.486 2.722 180 3HD2 LEU 25 3HD2 LEU 25 3.727 0.041 3.723 181 H MET 26 H MET 26 4.654 3.196 -0.088 182 HA MET 26 HA MET 26 2.888 5.192 1.065 183 1HB MET 26 1HB MET 26 2.775 3.770 -1.613 184 2HB MET 26 2HB MET 26 1.787 5.144 -1.097 185 1HG MET 26 1HG MET 26 4.090 6.293 -0.601 186 2HG MET 26 2HG MET 26 4.747 5.067 -1.688 187 1HE MET 26 1HE MET 26 2.509 4.727 -3.865 188 2HE MET 26 2HE MET 26 2.856 6.007 -5.047 189 3HE MET 26 3HE MET 26 4.188 5.054 -4.370 190 H VAL 27 H VAL 27 1.125 4.779 2.268 191 HA VAL 27 HA VAL 27 -0.093 2.045 2.229 192 HB VAL 27 HB VAL 27 0.043 4.081 4.498 193 1HG1 VAL 27 1HG1 VAL 27 -1.912 2.523 4.598 194 2HG1 VAL 27 2HG1 VAL 27 -0.800 1.146 4.442 195 3HG1 VAL 27 3HG1 VAL 27 -0.732 2.186 5.874 196 1HG2 VAL 27 1HG2 VAL 27 1.645 1.571 3.931 197 2HG2 VAL 27 2HG2 VAL 27 2.276 3.230 4.104 198 3HG2 VAL 27 3HG2 VAL 27 1.603 2.389 5.505 199 H ASN 28 H ASN 28 -1.737 2.352 0.713 200 HA ASN 28 HA ASN 28 -4.067 3.813 1.663 201 1HB ASN 28 1HB ASN 28 -2.350 4.811 -0.616 202 2HB ASN 28 2HB ASN 28 -4.083 4.919 -0.835 203 1HD2 ASN 28 1HD2 ASN 28 -4.625 7.241 1.908 204 2HD2 ASN 28 2HD2 ASN 28 -5.303 5.760 1.270 205 H VAL 29 H VAL 29 -5.754 3.741 -0.357 206 HA VAL 29 HA VAL 29 -5.675 1.072 -1.622 207 HB VAL 29 HB VAL 29 -7.932 0.539 -0.835 208 1HG1 VAL 29 1HG1 VAL 29 -5.996 -0.210 0.522 209 2HG1 VAL 29 2HG1 VAL 29 -6.248 1.206 1.576 210 3HG1 VAL 29 3HG1 VAL 29 -7.508 -0.030 1.432 211 1HG2 VAL 29 1HG2 VAL 29 -7.757 3.090 0.808 212 2HG2 VAL 29 2HG2 VAL 29 -8.871 2.798 -0.545 213 3HG2 VAL 29 3HG2 VAL 29 -9.030 1.861 0.943 214 H THR 30 H THR 30 -8.084 0.983 -2.775 215 HA THR 30 HA THR 30 -8.802 3.609 -3.928 216 HB THR 30 HB THR 30 -8.313 1.100 -5.592 217 HG1 THR 30 HG1 THR 30 -6.969 3.589 -5.492 218 1HG2 THR 30 1HG2 THR 30 -10.219 2.464 -6.444 219 2HG2 THR 30 2HG2 THR 30 -9.204 3.920 -6.370 220 H GLY 31 H GLY 31 -10.593 3.661 -2.643 221 1HA GLY 31 1HA GLY 31 -12.192 1.299 -2.069 222 2HA GLY 31 2HA GLY 31 -12.363 2.930 -1.427 223 H VAL 32 H VAL 32 -13.401 0.702 -3.899 224 HA VAL 32 HA VAL 32 -15.099 2.746 -5.214 225 HB VAL 32 HB VAL 32 -15.271 1.238 -7.060 226 1HG1 VAL 32 1HG1 VAL 32 -13.234 2.686 -6.844 227 2HG1 VAL 32 2HG1 VAL 32 -12.362 1.302 -6.156 228 3HG1 VAL 32 3HG1 VAL 32 -12.971 1.220 -7.813 229 1HG2 VAL 32 1HG2 VAL 32 -15.341 -0.945 -5.905 230 2HG2 VAL 32 2HG2 VAL 32 -14.093 -0.919 -7.157 231 3HG2 VAL 32 3HG2 VAL 32 -13.631 -0.772 -5.453 232 H ASP 33 H ASP 33 -17.289 2.111 -5.897 233 HA ASP 33 HA ASP 33 -18.814 0.844 -3.748 234 1HB ASP 33 1HB ASP 33 -19.693 1.770 -6.510 235 2HB ASP 33 2HB ASP 33 -20.747 1.248 -5.201 236 H SER 34 H SER 34 -18.109 0.179 -7.198 237 HA SER 34 HA SER 34 -17.729 -2.653 -6.715 238 1HB SER 34 1HB SER 34 -20.132 -1.694 -8.340 239 2HB SER 34 2HB SER 34 -19.421 -3.315 -8.483 240 HG SER 34 HG SER 34 -20.498 -2.169 -6.133 241 H LYS 35 H LYS 35 -18.602 -0.429 -9.411 242 HA LYS 35 HA LYS 35 -16.500 -1.705 -11.075 243 1HB LYS 35 1HB LYS 35 -18.925 -0.063 -11.880 244 2HB LYS 35 2HB LYS 35 -17.880 -1.027 -12.935 245 1HG LYS 35 1HG LYS 35 -19.783 -2.063 -10.785 246 2HG LYS 35 2HG LYS 35 -19.991 -2.143 -12.534 247 1HD LYS 35 1HD LYS 35 -17.970 -3.599 -12.705 248 2HD LYS 35 2HD LYS 35 -17.835 -3.587 -10.932 249 1HE LYS 35 1HE LYS 35 -20.107 -4.560 -10.747 250 2HE LYS 35 2HE LYS 35 -20.231 -4.603 -12.517 251 1HZ LYS 35 1HZ LYS 35 -18.239 -6.030 -10.904 252 2HZ LYS 35 2HZ LYS 35 -19.567 -6.697 -11.621 253 3HZ LYS 35 3HZ LYS 35 -18.355 -6.071 -12.549 254 H GLY 36 H GLY 36 -15.029 -0.130 -9.667 255 1HA GLY 36 1HA GLY 36 -13.326 1.324 -10.191 256 2HA GLY 36 2HA GLY 36 -14.197 1.876 -11.619 257 H ASN 37 H ASN 37 -16.622 2.672 -10.343 258 HA ASN 37 HA ASN 37 -16.264 5.324 -9.749 259 1HB ASN 37 1HB ASN 37 -18.571 5.212 -8.830 260 2HB ASN 37 2HB ASN 37 -18.358 4.499 -10.430 261 1HD2 ASN 37 1HD2 ASN 37 -20.627 2.221 -8.645 262 2HD2 ASN 37 2HD2 ASN 37 -20.641 3.866 -9.244 263 H GLU 38 H GLU 38 -14.938 6.107 -8.241 264 HA GLU 38 HA GLU 38 -14.499 4.793 -5.702 265 1HB GLU 38 1HB GLU 38 -12.734 5.813 -7.128 266 2HB GLU 38 2HB GLU 38 -13.405 7.413 -6.767 267 1HG GLU 38 1HG GLU 38 -12.970 7.010 -4.338 268 2HG GLU 38 2HG GLU 38 -12.337 5.403 -4.729 269 H LEU 39 H LEU 39 -15.219 5.416 -3.690 270 HA LEU 39 HA LEU 39 -17.395 7.363 -3.500 271 1HB LEU 39 1HB LEU 39 -16.003 5.659 -1.380 272 2HB LEU 39 2HB LEU 39 -17.345 6.771 -1.104 273 HG LEU 39 HG LEU 39 -18.658 5.382 -2.844 274 1HD1 LEU 39 1HD1 LEU 39 -16.379 3.458 -2.160 275 2HD1 LEU 39 2HD1 LEU 39 -17.936 2.953 -2.820 276 3HD1 LEU 39 3HD1 LEU 39 -16.880 3.987 -3.783 277 1HD2 LEU 39 1HD2 LEU 39 -19.120 5.415 -0.417 278 2HD2 LEU 39 2HD2 LEU 39 -19.337 3.792 -1.086 279 3HD2 LEU 39 3HD2 LEU 39 -17.873 4.176 -0.155 280 H LEU 40 H LEU 40 -14.244 6.919 -1.836 281 HA LEU 40 HA LEU 40 -14.323 9.702 -0.870 282 1HB LEU 40 1HB LEU 40 -12.270 7.622 -0.122 283 2HB LEU 40 2HB LEU 40 -12.878 8.982 0.824 284 HG LEU 40 HG LEU 40 -14.318 6.367 0.165 285 1HD1 LEU 40 1HD1 LEU 40 -12.501 6.132 1.785 286 2HD1 LEU 40 2HD1 LEU 40 -13.201 7.431 2.777 287 3HD1 LEU 40 3HD1 LEU 40 -14.087 5.906 2.545 288 1HD2 LEU 40 1HD2 LEU 40 -15.933 8.331 0.405 289 2HD2 LEU 40 2HD2 LEU 40 -16.116 7.051 1.610 290 3HD2 LEU 40 3HD2 LEU 40 -15.289 8.552 2.043 291 H SER 41 H SER 41 -11.336 9.674 -0.541 292 HA SER 41 HA SER 41 -10.233 9.336 -3.246 293 1HB SER 41 1HB SER 41 -9.939 11.966 -1.740 294 2HB SER 41 2HB SER 41 -9.094 11.507 -3.231 295 HG SER 41 HG SER 41 -11.891 11.818 -2.901 296 HA PRO 42 HA PRO 42 -8.011 8.049 0.630 297 1HB PRO 42 1HB PRO 42 -8.019 5.372 0.464 298 2HB PRO 42 2HB PRO 42 -9.515 6.281 0.800 299 1HG PRO 42 1HG PRO 42 -8.617 5.182 -1.874 300 2HG PRO 42 2HG PRO 42 -10.218 5.034 -1.096 301 1HD PRO 42 1HD PRO 42 -9.535 6.977 -2.970 302 2HD PRO 42 2HD PRO 42 -10.812 7.177 -1.748 303 H HIS 43 H HIS 43 -6.354 9.267 -0.614 304 HA HIS 43 HA HIS 43 -4.026 7.611 -1.330 305 1HB HIS 43 1HB HIS 43 -5.339 9.578 -3.237 306 2HB HIS 43 2HB HIS 43 -3.714 8.905 -3.445 307 HD1 HIS 43 HD1 HIS 43 -7.325 8.034 -4.069 308 HD2 HIS 43 HD2 HIS 43 -3.535 6.205 -3.946 309 HE1 HIS 43 HE1 HIS 43 -7.551 5.775 -5.254 310 H TYR 44 H TYR 44 -4.217 8.926 1.008 311 HA TYR 44 HA TYR 44 -2.475 11.239 0.710 312 1HB TYR 44 1HB TYR 44 -4.106 12.759 1.950 313 2HB TYR 44 2HB TYR 44 -4.406 12.409 0.271 314 HD1 TYR 44 HD1 TYR 44 -5.414 9.792 2.734 315 HD2 TYR 44 HD2 TYR 44 -6.645 13.286 0.511 316 HE1 TYR 44 HE1 TYR 44 -7.764 9.149 3.023 317 HE2 TYR 44 HE2 TYR 44 -9.006 12.652 0.846 318 HH TYR 44 HH TYR 44 -9.937 9.540 2.368 319 H VAL 45 H VAL 45 -1.746 8.942 1.892 320 HA VAL 45 HA VAL 45 -0.821 9.950 4.360 321 HB VAL 45 HB VAL 45 -2.913 9.428 5.362 322 1HG1 VAL 45 1HG1 VAL 45 -3.867 7.912 3.674 323 2HG1 VAL 45 2HG1 VAL 45 -2.752 6.628 4.192 324 3HG1 VAL 45 3HG1 VAL 45 -3.987 7.245 5.295 325 1HG2 VAL 45 1HG2 VAL 45 -0.893 8.791 6.649 326 2HG2 VAL 45 2HG2 VAL 45 -2.337 7.853 7.071 327 3HG2 VAL 45 3HG2 VAL 45 -1.074 7.120 6.068 328 H GLU 46 H GLU 46 1.070 8.959 4.902 329 HA GLU 46 HA GLU 46 1.584 6.199 4.358 330 1HB GLU 46 1HB GLU 46 3.450 6.426 2.850 331 2HB GLU 46 2HB GLU 46 1.989 7.021 2.073 332 1HG GLU 46 1HG GLU 46 2.669 9.291 2.307 333 2HG GLU 46 2HG GLU 46 3.981 8.887 3.418 334 H PHE 47 H PHE 47 4.059 5.791 4.702 335 HA PHE 47 HA PHE 47 5.180 7.450 6.875 336 1HB PHE 47 1HB PHE 47 4.693 4.448 7.080 337 2HB PHE 47 2HB PHE 47 5.317 5.486 8.350 338 HD1 PHE 47 HD1 PHE 47 3.745 7.345 9.278 339 HD2 PHE 47 HD2 PHE 47 2.366 4.086 6.825 340 HE1 PHE 47 HE1 PHE 47 1.398 7.862 9.900 341 HE2 PHE 47 HE2 PHE 47 0.021 4.608 7.440 342 HZ PHE 47 1HZ PHE 47 -0.467 6.504 8.973 343 HA PRO 48 HA PRO 48 8.976 5.999 4.889 344 1HB PRO 48 1HB PRO 48 10.790 6.007 6.934 345 2HB PRO 48 2HB PRO 48 10.113 7.506 6.236 346 1HG PRO 48 1HG PRO 48 9.147 6.036 8.705 347 2HG PRO 48 2HG PRO 48 9.563 7.771 8.561 348 1HD PRO 48 1HD PRO 48 7.007 6.938 8.365 349 2HD PRO 48 2HD PRO 48 7.608 8.209 7.266 350 H ILE 49 H ILE 49 10.614 4.192 5.084 351 HA ILE 49 HA ILE 49 9.226 1.780 5.239 352 HB ILE 49 HB ILE 49 11.203 2.288 3.812 353 1HG1 ILE 49 1HG1 ILE 49 12.272 0.128 3.836 354 2HG1 ILE 49 2HG1 ILE 49 11.635 -0.229 5.480 355 1HG2 ILE 49 1HG2 ILE 49 12.653 3.355 5.543 356 2HG2 ILE 49 2HG2 ILE 49 12.863 1.778 6.331 357 3HG2 ILE 49 3HG2 ILE 49 13.482 2.031 4.705 358 1HD1 ILE 49 1HD1 ILE 49 9.848 0.303 3.069 359 2HD1 ILE 49 2HD1 ILE 49 10.421 -1.316 3.529 360 3HD1 ILE 49 3HD1 ILE 49 9.405 -0.399 4.645 361 H LYS 50 H LYS 50 9.258 0.025 6.647 362 HA LYS 50 HA LYS 50 10.917 -0.002 9.021 363 1HB LYS 50 1HB LYS 50 9.095 1.455 9.779 364 2HB LYS 50 2HB LYS 50 7.904 0.207 9.385 365 1HG LYS 50 1HG LYS 50 8.957 -1.322 11.030 366 2HG LYS 50 2HG LYS 50 10.243 -0.134 11.325 367 1HD LYS 50 1HD LYS 50 8.563 1.477 12.179 368 2HD LYS 50 2HD LYS 50 7.278 0.281 11.898 369 1HE LYS 50 1HE LYS 50 8.375 -1.275 13.484 370 2HE LYS 50 2HE LYS 50 9.679 -0.100 13.746 371 1HZ LYS 50 1HZ LYS 50 8.062 1.415 14.611 372 2HZ LYS 50 2HZ LYS 50 6.846 0.326 14.371 373 3HZ LYS 50 3HZ LYS 50 8.042 0.001 15.458 374 HA PRO 51 HA PRO 51 9.851 -4.055 7.114 375 1HB PRO 51 1HB PRO 51 12.274 -5.253 7.220 376 2HB PRO 51 2HB PRO 51 11.966 -3.891 6.107 377 1HG PRO 51 1HG PRO 51 13.241 -3.772 8.852 378 2HG PRO 51 2HG PRO 51 13.878 -3.097 7.321 379 1HD PRO 51 1HD PRO 51 12.446 -1.617 9.126 380 2HD PRO 51 2HD PRO 51 12.324 -1.320 7.367 381 H GLY 52 H GLY 52 10.428 -6.422 7.976 382 1HA GLY 52 1HA GLY 52 10.782 -7.838 9.850 383 2HA GLY 52 2HA GLY 52 10.353 -6.543 10.963 384 H THR 53 H THR 53 7.985 -5.640 9.500 385 HA THR 53 HA THR 53 6.050 -7.277 10.723 386 HB THR 53 HB THR 53 5.740 -4.902 10.338 387 HG1 THR 53 HG1 THR 53 3.605 -5.062 9.583 388 1HG2 THR 53 1HG2 THR 53 5.429 -5.549 7.371 389 2HG2 THR 53 2HG2 THR 53 5.155 -3.982 8.150 390 H THR 54 H THR 54 4.571 -8.745 9.963 391 HA THR 54 HA THR 54 5.351 -10.331 7.643 392 HB THR 54 HB THR 54 3.104 -10.644 9.671 393 HG1 THR 54 HG1 THR 54 4.560 -12.154 10.555 394 1HG2 THR 54 1HG2 THR 54 4.280 -12.627 7.677 395 2HG2 THR 54 2HG2 THR 54 3.090 -13.011 8.936 396 H LEU 55 H LEU 55 4.283 -10.406 5.707 397 HA LEU 55 HA LEU 55 1.889 -8.661 5.270 398 1HB LEU 55 1HB LEU 55 4.453 -9.007 3.782 399 2HB LEU 55 2HB LEU 55 2.973 -8.945 2.814 400 HG LEU 55 HG LEU 55 2.347 -6.795 3.692 401 1HD1 LEU 55 1HD1 LEU 55 4.850 -7.031 5.410 402 2HD1 LEU 55 2HD1 LEU 55 4.025 -5.491 5.079 403 3HD1 LEU 55 3HD1 LEU 55 3.178 -6.766 5.953 404 1HD2 LEU 55 1HD2 LEU 55 3.851 -6.958 1.729 405 2HD2 LEU 55 2HD2 LEU 55 4.160 -5.483 2.664 406 3HD2 LEU 55 3HD2 LEU 55 5.261 -6.869 2.800 407 H THR 56 H THR 56 0.181 -9.551 4.510 408 HA THR 56 HA THR 56 -0.109 -11.746 2.759 409 HB THR 56 1HB THR 56 0.477 -13.195 4.568 410 HG1 THR 56 HG1 THR 56 -1.354 -13.788 3.388 411 1HG2 THR 56 1HG2 THR 56 -0.709 -13.202 6.740 412 2HG2 THR 56 2HG2 THR 56 0.234 -11.725 6.516 413 H LYS 57 H LYS 57 -2.679 -12.253 2.740 414 HA LYS 57 HA LYS 57 -3.891 -9.752 2.297 415 1HB LYS 57 1HB LYS 57 -5.920 -10.933 1.836 416 2HB LYS 57 2HB LYS 57 -4.538 -11.737 1.083 417 1HG LYS 57 1HG LYS 57 -4.512 -13.447 2.830 418 2HG LYS 57 2HG LYS 57 -5.839 -12.661 3.697 419 1HD LYS 57 1HD LYS 57 -6.095 -13.642 0.829 420 2HD LYS 57 2HD LYS 57 -6.455 -14.650 2.245 421 1HE LYS 57 1HE LYS 57 -8.141 -12.966 2.988 422 2HE LYS 57 2HE LYS 57 -7.853 -12.046 1.498 423 1HZ LYS 57 1HZ LYS 57 -8.519 -13.969 0.260 424 2HZ LYS 57 2HZ LYS 57 -8.816 -14.807 1.648 425 3HZ LYS 57 3HZ LYS 57 -9.718 -13.475 1.280 426 H GLU 58 H GLU 58 -3.891 -11.715 5.250 427 HA GLU 58 HA GLU 58 -6.007 -10.096 6.470 428 1HB GLU 58 1HB GLU 58 -5.823 -11.522 8.382 429 2HB GLU 58 2HB GLU 58 -6.020 -12.408 6.882 430 1HG GLU 58 1HG GLU 58 -4.519 -13.679 8.100 431 2HG GLU 58 2HG GLU 58 -3.530 -12.890 6.879 432 H LYS 59 H LYS 59 -2.622 -9.738 6.053 433 HA LYS 59 HA LYS 59 -2.402 -7.848 8.328 434 1HB LYS 59 1HB LYS 59 -0.379 -9.132 6.490 435 2HB LYS 59 2HB LYS 59 0.025 -7.767 7.533 436 1HG LYS 59 1HG LYS 59 -1.159 -10.358 8.592 437 2HG LYS 59 2HG LYS 59 0.575 -10.062 8.452 438 1HD LYS 59 1HD LYS 59 0.302 -8.011 9.892 439 2HD LYS 59 2HD LYS 59 -1.382 -8.485 10.186 440 1HE LYS 59 1HE LYS 59 1.066 -10.159 10.868 441 2HE LYS 59 2HE LYS 59 0.127 -9.174 12.002 442 1HZ LYS 59 1HZ LYS 59 -1.776 -10.530 11.514 443 2HZ LYS 59 2HZ LYS 59 -0.896 -11.461 10.476 444 3HZ LYS 59 3HZ LYS 59 -0.530 -11.449 12.082 445 H ILE 60 H ILE 60 -2.675 -7.967 4.789 446 HA ILE 60 HA ILE 60 -1.769 -5.287 4.363 447 HB ILE 60 HB ILE 60 -2.191 -7.372 2.737 448 1HG1 ILE 60 1HG1 ILE 60 -0.813 -5.541 2.154 449 2HG1 ILE 60 2HG1 ILE 60 -1.923 -5.976 0.814 450 1HG2 ILE 60 1HG2 ILE 60 -4.640 -7.321 2.826 451 2HG2 ILE 60 2HG2 ILE 60 -4.655 -5.687 2.146 452 3HG2 ILE 60 3HG2 ILE 60 -4.021 -7.042 1.199 453 1HD1 ILE 60 1HD1 ILE 60 -3.348 -3.993 1.426 454 2HD1 ILE 60 2HD1 ILE 60 -2.159 -3.565 2.680 455 3HD1 ILE 60 3HD1 ILE 60 -1.695 -3.551 0.975 456 H GLU 61 H GLU 61 -4.907 -6.790 5.085 457 HA GLU 61 HA GLU 61 -6.502 -4.605 4.371 458 1HB GLU 61 1HB GLU 61 -8.343 -5.855 5.258 459 2HB GLU 61 2HB GLU 61 -7.218 -6.870 4.371 460 1HG GLU 61 1HG GLU 61 -7.750 -8.241 6.102 461 2HG GLU 61 2HG GLU 61 -6.210 -7.561 6.624 462 H TYR 62 H TYR 62 -5.594 -5.631 7.750 463 HA TYR 62 HA TYR 62 -7.081 -3.517 8.909 464 1HB TYR 62 1HB TYR 62 -6.357 -4.219 10.937 465 2HB TYR 62 2HB TYR 62 -6.242 -5.696 10.000 466 HD1 TYR 62 HD1 TYR 62 -3.766 -5.979 8.828 467 HD2 TYR 62 HD2 TYR 62 -4.644 -3.863 12.466 468 HE1 TYR 62 HE1 TYR 62 -1.347 -6.011 9.447 469 HE2 TYR 62 HE2 TYR 62 -2.249 -3.882 13.070 470 HH TYR 62 HH TYR 62 -0.124 -4.515 12.448 471 H TYR 63 H TYR 63 -3.742 -3.714 7.782 472 HA TYR 63 HA TYR 63 -2.673 -1.478 9.098 473 1HB TYR 63 1HB TYR 63 -1.374 -3.289 8.102 474 2HB TYR 63 2HB TYR 63 -1.937 -2.856 6.491 475 HD1 TYR 63 HD1 TYR 63 -0.332 -1.101 9.438 476 HD2 TYR 63 HD2 TYR 63 -0.284 -1.827 5.185 477 HE1 TYR 63 HE1 TYR 63 1.734 0.246 9.229 478 HE2 TYR 63 HE2 TYR 63 1.814 -0.542 4.996 479 HH TYR 63 HH TYR 63 3.391 1.003 7.823 480 H VAL 64 H VAL 64 -3.917 -1.746 5.704 481 HA VAL 64 HA VAL 64 -3.550 1.044 5.177 482 HB VAL 64 HB VAL 64 -4.710 0.675 3.116 483 1HG1 VAL 64 1HG1 VAL 64 -2.791 -1.583 3.766 484 2HG1 VAL 64 2HG1 VAL 64 -3.276 -1.072 2.136 485 3HG1 VAL 64 3HG1 VAL 64 -2.389 0.042 3.182 486 1HG2 VAL 64 1HG2 VAL 64 -5.486 -2.045 4.232 487 2HG2 VAL 64 2HG2 VAL 64 -6.562 -0.750 3.693 488 3HG2 VAL 64 3HG2 VAL 64 -5.573 -1.624 2.518 489 H GLU 65 H GLU 65 -6.320 -0.859 6.354 490 HA GLU 65 HA GLU 65 -8.330 1.123 6.083 491 1HB GLU 65 1HB GLU 65 -7.970 -1.249 7.934 492 2HB GLU 65 2HB GLU 65 -9.383 -0.186 8.028 493 1HG GLU 65 1HG GLU 65 -10.047 -0.654 5.776 494 2HG GLU 65 2HG GLU 65 -8.549 -1.518 5.427 495 H TRP 66 H TRP 66 -5.965 0.502 8.726 496 HA TRP 66 HA TRP 66 -7.084 2.496 10.496 497 1HB TRP 66 1HB TRP 66 -4.361 1.192 10.437 498 2HB TRP 66 2HB TRP 66 -4.994 2.195 11.739 499 HD1 TRP 66 HD1 TRP 66 -4.020 -0.331 12.708 500 HE1 TRP 66 HE1 TRP 66 -5.424 -2.262 13.562 501 HE3 TRP 66 HE3 TRP 66 -8.528 0.797 10.430 502 HZ2 TRP 66 HZ2 TRP 66 -8.085 -3.299 13.208 503 HZ3 TRP 66 HZ3 TRP 66 -10.413 -0.737 10.654 504 HH2 TRP 66 HH2 TRP 66 -10.224 -2.792 12.033 505 H ALA 67 H ALA 67 -4.599 2.553 7.936 506 HA ALA 67 HA ALA 67 -3.475 5.085 8.610 507 1HB ALA 67 1HB ALA 67 -2.364 3.439 7.174 508 2HB ALA 67 2HB ALA 67 -3.608 3.660 5.924 509 3HB ALA 67 3HB ALA 67 -2.528 5.003 6.351 510 H LEU 68 H LEU 68 -5.949 4.171 6.127 511 HA LEU 68 HA LEU 68 -6.524 6.885 5.426 512 1HB LEU 68 1HB LEU 68 -8.290 6.016 4.062 513 2HB LEU 68 2HB LEU 68 -6.822 5.060 3.902 514 HG LEU 68 HG LEU 68 -7.993 3.504 5.720 515 1HD1 LEU 68 1HD1 LEU 68 -10.043 4.945 6.035 516 2HD1 LEU 68 2HD1 LEU 68 -10.381 4.769 4.303 517 3HD1 LEU 68 3HD1 LEU 68 -10.433 3.357 5.374 518 1HD2 LEU 68 1HD2 LEU 68 -7.347 2.841 3.422 519 2HD2 LEU 68 2HD2 LEU 68 -8.924 2.167 3.869 520 3HD2 LEU 68 3HD2 LEU 68 -8.839 3.588 2.807 521 H ASP 69 H ASP 69 -7.759 4.776 7.988 522 HA ASP 69 HA ASP 69 -10.034 6.409 8.659 523 1HB ASP 69 1HB ASP 69 -9.865 4.087 9.385 524 2HB ASP 69 2HB ASP 69 -8.413 4.461 10.332 525 H ALA 70 H ALA 70 -6.546 6.477 9.444 526 HA ALA 70 HA ALA 70 -6.835 8.671 11.359 527 1HB ALA 70 1HB ALA 70 -5.108 6.933 11.613 528 2HB ALA 70 2HB ALA 70 -4.352 7.456 10.094 529 3HB ALA 70 3HB ALA 70 -4.410 8.556 11.489 530 H THR 71 H THR 71 -7.873 9.059 8.539 531 HA THR 71 HA THR 71 -6.770 11.742 8.244 532 HB THR 71 1HB THR 71 -6.878 9.818 5.865 533 HG1 THR 71 HG1 THR 71 -5.040 9.530 7.134 534 1HG2 THR 71 1HG2 THR 71 -6.177 12.783 6.103 535 2HG2 THR 71 2HG2 THR 71 -5.865 11.792 4.670 536 H ALA 72 H ALA 72 -8.921 9.432 6.510 537 HA ALA 72 HA ALA 72 -10.986 11.388 6.108 538 1HB ALA 72 1HB ALA 72 -10.499 9.582 4.509 539 2HB ALA 72 2HB ALA 72 -11.012 8.373 5.703 540 3HB ALA 72 3HB ALA 72 -12.184 9.543 5.058 541 H TYR 73 H TYR 73 -10.752 8.414 8.079 542 HA TYR 73 HA TYR 73 -11.554 7.789 10.024 543 1HB TYR 73 1HB TYR 73 -10.864 10.049 10.796 544 2HB TYR 73 2HB TYR 73 -12.489 10.645 10.483 545 HD1 TYR 73 HD1 TYR 73 -10.575 8.133 12.501 546 HD2 TYR 73 HD2 TYR 73 -14.249 10.350 12.067 547 HE1 TYR 73 HE1 TYR 73 -11.415 7.154 14.611 548 HE2 TYR 73 HE2 TYR 73 -15.078 9.385 14.189 549 HH TYR 73 HH TYR 73 -13.161 7.039 16.106 550 H LYS 74 H LYS 74 -13.289 7.040 11.130 551 HA LYS 74 HA LYS 74 -15.412 6.690 11.752 552 1HB LYS 74 1HB LYS 74 -16.162 8.794 10.498 553 2HB LYS 74 2HB LYS 74 -16.568 7.711 9.153 554 1HG LYS 74 1HG LYS 74 -18.021 6.419 10.846 555 2HG LYS 74 2HG LYS 74 -17.711 7.744 11.971 556 1HD LYS 74 1HD LYS 74 -18.707 9.348 10.403 557 2HD LYS 74 2HD LYS 74 -18.910 8.084 9.176 558 1HE LYS 74 1HE LYS 74 -20.260 8.061 11.910 559 2HE LYS 74 2HE LYS 74 -21.013 8.621 10.405 560 1HZ LYS 74 1HZ LYS 74 -20.691 6.440 9.494 561 2HZ LYS 74 2HZ LYS 74 -20.033 5.904 10.907 562 3HZ LYS 74 3HZ LYS 74 -21.608 6.385 10.862 563 H GLU 75 H GLU 75 -13.537 4.994 10.574 564 HA GLU 75 HA GLU 75 -13.276 2.874 10.095 565 1HB GLU 75 1HB GLU 75 -14.857 2.776 11.979 566 2HB GLU 75 2HB GLU 75 -16.211 2.601 10.857 567 1HG GLU 75 1HG GLU 75 -15.158 0.507 9.964 568 2HG GLU 75 2HG GLU 75 -13.832 0.707 11.118 569 H PHE 76 H PHE 76 -16.602 3.126 8.866 570 HA PHE 76 HA PHE 76 -17.530 2.994 6.851 571 1HB PHE 76 1HB PHE 76 -14.968 2.165 5.487 572 2HB PHE 76 2HB PHE 76 -16.415 2.882 4.793 573 HD1 PHE 76 HD1 PHE 76 -16.820 5.176 6.789 574 HD2 PHE 76 HD2 PHE 76 -13.316 3.723 4.731 575 HE1 PHE 76 HE1 PHE 76 -15.762 7.385 7.023 576 HE2 PHE 76 HE2 PHE 76 -12.275 5.966 4.957 577 HZ PHE 76 1HZ PHE 76 -13.486 7.790 6.117 578 H ARG 77 H ARG 77 -18.277 1.316 5.349 579 HA ARG 77 HA ARG 77 -18.878 -1.054 6.686 580 1HB ARG 77 1HB ARG 77 -20.151 -0.067 4.777 581 2HB ARG 77 2HB ARG 77 -18.832 -0.517 3.699 582 1HG ARG 77 1HG ARG 77 -20.232 -2.277 3.317 583 2HG ARG 77 2HG ARG 77 -19.265 -2.975 4.609 584 1HD ARG 77 1HD ARG 77 -21.507 -3.466 5.112 585 2HD ARG 77 2HD ARG 77 -21.097 -2.142 6.221 586 HE ARG 77 HE ARG 77 -22.105 -0.794 4.086 587 1HH1 ARG 77 1HH1 ARG 77 -23.438 -3.545 5.922 588 2HH1 ARG 77 2HH1 ARG 77 -25.084 -3.174 5.473 589 1HH2 ARG 77 1HH2 ARG 77 -24.253 -0.355 3.524 590 2HH2 ARG 77 2HH2 ARG 77 -25.549 -1.366 4.125 591 H VAL 78 H VAL 78 -16.663 -0.658 3.879 592 HA VAL 78 HA VAL 78 -15.073 -1.925 2.981 593 HB VAL 78 HB VAL 78 -14.401 -2.848 5.805 594 1HG1 VAL 78 1HG1 VAL 78 -12.745 -2.656 3.243 595 2HG1 VAL 78 2HG1 VAL 78 -12.141 -3.128 4.842 596 3HG1 VAL 78 3HG1 VAL 78 -13.293 -4.165 3.998 597 1HG2 VAL 78 1HG2 VAL 78 -13.460 -0.408 4.232 598 2HG2 VAL 78 2HG2 VAL 78 -14.425 -0.387 5.724 599 3HG2 VAL 78 3HG2 VAL 78 -12.763 -0.981 5.762 600 H VAL 79 H VAL 79 -16.825 -3.043 1.958 601 HA VAL 79 HA VAL 79 -18.177 -5.297 2.932 602 HB VAL 79 HB VAL 79 -17.470 -4.509 0.075 603 1HG1 VAL 79 1HG1 VAL 79 -19.555 -6.481 1.107 604 2HG1 VAL 79 2HG1 VAL 79 -19.439 -5.895 -0.564 605 3HG1 VAL 79 3HG1 VAL 79 -18.139 -6.879 0.110 606 1HG2 VAL 79 1HG2 VAL 79 -18.790 -2.786 1.270 607 2HG2 VAL 79 2HG2 VAL 79 -19.752 -3.591 0.024 608 3HG2 VAL 79 3HG2 VAL 79 -19.979 -4.029 1.728 609 H GLU 80 H GLU 80 -15.413 -5.243 0.618 610 HA GLU 80 HA GLU 80 -14.154 -7.566 1.817 611 1HB GLU 80 1HB GLU 80 -15.962 -8.685 0.606 612 2HB GLU 80 2HB GLU 80 -15.565 -7.808 -0.880 613 1HG GLU 80 1HG GLU 80 -13.425 -8.949 -1.047 614 2HG GLU 80 2HG GLU 80 -13.633 -9.681 0.555 615 H LEU 81 H LEU 81 -12.033 -7.323 1.501 616 HA LEU 81 HA LEU 81 -11.016 -5.409 -0.481 617 1HB LEU 81 1HB LEU 81 -8.812 -5.914 0.475 618 2HB LEU 81 2HB LEU 81 -9.955 -5.145 1.559 619 HG LEU 81 HG LEU 81 -8.378 -6.855 2.465 620 1HD1 LEU 81 1HD1 LEU 81 -10.332 -5.996 3.725 621 2HD1 LEU 81 2HD1 LEU 81 -11.276 -7.403 3.195 622 3HD1 LEU 81 3HD1 LEU 81 -9.835 -7.633 4.180 623 1HD2 LEU 81 1HD2 LEU 81 -8.671 -8.629 0.753 624 2HD2 LEU 81 2HD2 LEU 81 -8.848 -9.191 2.422 625 3HD2 LEU 81 3HD2 LEU 81 -10.292 -8.957 1.430 626 H ASP 82 H ASP 82 -9.315 -6.012 -2.011 627 HA ASP 82 HA ASP 82 -10.072 -8.346 -3.483 628 1HB ASP 82 1HB ASP 82 -7.794 -6.368 -3.777 629 2HB ASP 82 2HB ASP 82 -7.974 -7.779 -4.821 630 HA PRO 83 HA PRO 83 -7.498 -11.068 -0.956 631 1HB PRO 83 1HB PRO 83 -7.786 -13.414 -2.313 632 2HB PRO 83 2HB PRO 83 -9.118 -12.668 -1.382 633 1HG PRO 83 1HG PRO 83 -8.624 -12.443 -4.359 634 2HG PRO 83 2HG PRO 83 -10.145 -12.886 -3.529 635 1HD PRO 83 1HD PRO 83 -9.645 -10.350 -4.363 636 2HD PRO 83 2HD PRO 83 -10.512 -10.652 -2.824 637 H SER 84 H SER 84 -7.125 -10.704 -4.476 638 HA SER 84 HA SER 84 -4.257 -11.423 -4.418 639 1HB SER 84 1HB SER 84 -6.109 -10.555 -6.676 640 2HB SER 84 2HB SER 84 -4.415 -11.073 -6.849 641 HG SER 84 HG SER 84 -5.039 -13.079 -5.933 642 H ALA 85 H ALA 85 -4.386 -9.503 -2.689 643 HA ALA 85 HA ALA 85 -4.152 -6.814 -3.688 644 1HB ALA 85 1HB ALA 85 -4.632 -7.378 -1.322 645 2HB ALA 85 2HB ALA 85 -3.026 -8.120 -1.171 646 3HB ALA 85 3HB ALA 85 -3.172 -6.379 -1.467 647 H LYS 86 H LYS 86 -1.952 -5.612 -3.375 648 HA LYS 86 HA LYS 86 0.347 -7.225 -4.214 649 1HB LYS 86 1HB LYS 86 0.655 -6.094 -6.320 650 2HB LYS 86 2HB LYS 86 -0.939 -6.862 -6.291 651 1HG LYS 86 1HG LYS 86 -1.885 -4.573 -5.584 652 2HG LYS 86 2HG LYS 86 -0.294 -3.899 -5.972 653 1HD LYS 86 1HD LYS 86 -2.187 -5.356 -7.870 654 2HD LYS 86 2HD LYS 86 -1.845 -3.619 -7.828 655 1HE LYS 86 1HE LYS 86 0.571 -4.155 -8.351 656 2HE LYS 86 2HE LYS 86 0.091 -5.846 -8.593 657 1HZ LYS 86 1HZ LYS 86 -0.943 -3.540 -10.075 658 2HZ LYS 86 2HZ LYS 86 0.153 -4.641 -10.629 659 3HZ LYS 86 3HZ LYS 86 -1.394 -5.112 -10.300 660 H ILE 87 H ILE 87 2.303 -6.311 -4.126 661 HA ILE 87 HA ILE 87 2.568 -3.571 -2.998 662 HB ILE 87 HB ILE 87 4.238 -6.033 -2.325 663 1HG1 ILE 87 1HG1 ILE 87 3.563 -5.050 0.049 664 2HG1 ILE 87 2HG1 ILE 87 2.185 -4.360 -0.869 665 1HG2 ILE 87 1HG2 ILE 87 4.618 -3.090 -1.623 666 2HG2 ILE 87 2HG2 ILE 87 5.519 -4.436 -0.894 667 3HG2 ILE 87 3HG2 ILE 87 5.704 -4.088 -2.607 668 1HD1 ILE 87 1HD1 ILE 87 2.922 -7.316 -0.743 669 2HD1 ILE 87 2HD1 ILE 87 1.711 -6.517 0.278 670 3HD1 ILE 87 3HD1 ILE 87 1.453 -6.619 -1.465 671 H GLU 88 H GLU 88 3.067 -2.422 -4.784 672 HA GLU 88 HA GLU 88 4.946 -3.489 -6.802 673 1HB GLU 88 1HB GLU 88 3.483 -0.831 -6.650 674 2HB GLU 88 2HB GLU 88 4.540 -1.385 -7.959 675 1HG GLU 88 1HG GLU 88 3.034 -3.355 -8.295 676 2HG GLU 88 2HG GLU 88 1.951 -2.708 -7.052 677 H VAL 89 H VAL 89 6.605 -3.791 -5.143 678 HA VAL 89 HA VAL 89 7.946 -1.474 -4.047 679 HB VAL 89 HB VAL 89 8.102 -3.550 -2.905 680 1HG1 VAL 89 1HG1 VAL 89 8.040 -5.173 -4.808 681 2HG1 VAL 89 2HG1 VAL 89 9.728 -4.759 -5.177 682 3HG1 VAL 89 3HG1 VAL 89 9.311 -5.484 -3.625 683 1HG2 VAL 89 1HG2 VAL 89 9.911 -1.943 -2.661 684 2HG2 VAL 89 2HG2 VAL 89 10.543 -3.596 -2.552 685 3HG2 VAL 89 3HG2 VAL 89 10.780 -2.652 -4.032 686 H THR 90 H THR 90 8.354 -0.007 -5.587 687 HA THR 90 HA THR 90 9.446 -0.783 -8.186 688 HB THR 90 HB THR 90 8.650 1.936 -7.070 689 HG1 THR 90 HG1 THR 90 6.764 1.519 -8.265 690 1HG2 THR 90 1HG2 THR 90 8.451 2.509 -9.506 691 2HG2 THR 90 2HG2 THR 90 10.122 2.171 -9.034 692 H TYR 91 H TYR 91 11.422 -1.670 -7.216 693 HA TYR 91 HA TYR 91 13.154 0.022 -5.751 694 1HB TYR 91 1HB TYR 91 14.890 -1.827 -6.343 695 2HB TYR 91 2HB TYR 91 13.606 -2.051 -5.173 696 HD1 TYR 91 HD1 TYR 91 14.384 -2.709 -8.797 697 HD2 TYR 91 HD2 TYR 91 12.287 -3.970 -5.250 698 HE1 TYR 91 HE1 TYR 91 14.130 -4.972 -9.747 699 HE2 TYR 91 HE2 TYR 91 11.929 -6.196 -6.253 700 HH TYR 91 HH TYR 91 13.307 -7.097 -9.439 701 H TYR 92 H TYR 92 14.434 1.551 -6.313 702 HA TYR 92 HA TYR 92 15.448 1.862 -9.090 703 1HB TYR 92 1HB TYR 92 13.469 3.162 -9.112 704 2HB TYR 92 2HB TYR 92 13.679 3.684 -7.445 705 HD1 TYR 92 HD1 TYR 92 15.428 3.971 -10.781 706 HD2 TYR 92 HD2 TYR 92 14.551 5.800 -6.986 707 HE1 TYR 92 HE1 TYR 92 16.530 6.055 -11.533 708 HE2 TYR 92 HE2 TYR 92 15.828 7.817 -7.668 709 HH TYR 92 HH TYR 92 17.235 8.164 -10.946 710 H ASP 93 H ASP 93 17.323 2.963 -9.260 711 HA ASP 93 HA ASP 93 18.492 4.455 -7.071 712 1HB ASP 93 1HB ASP 93 20.520 3.176 -6.855 713 2HB ASP 93 2HB ASP 93 19.162 2.109 -6.521 714 H LYS 94 H LYS 94 20.889 5.058 -7.918 715 HA LYS 94 HA LYS 94 20.978 5.199 -10.865 716 1HB LYS 94 1HB LYS 94 20.083 7.401 -9.937 717 2HB LYS 94 2HB LYS 94 21.617 7.589 -9.085 718 1HG LYS 94 1HG LYS 94 21.678 8.885 -11.105 719 2HG LYS 94 2HG LYS 94 22.790 7.534 -11.338 720 1HD LYS 94 1HD LYS 94 21.130 6.367 -12.730 721 2HD LYS 94 2HD LYS 94 19.910 7.604 -12.356 722 1HE LYS 94 1HE LYS 94 21.293 9.310 -13.492 723 2HE LYS 94 2HE LYS 94 22.536 8.086 -13.831 724 1HZ LYS 94 1HZ LYS 94 19.771 8.036 -14.811 725 2HZ LYS 94 2HZ LYS 94 21.105 8.444 -15.692 726 3HZ LYS 94 3HZ LYS 94 20.928 6.904 -15.130 727 H ASN 95 H ASN 95 22.101 3.227 -9.802 728 HA ASN 95 HA ASN 95 25.000 3.813 -9.616 729 1HB ASN 95 1HB ASN 95 23.412 2.226 -7.551 730 2HB ASN 95 2HB ASN 95 25.174 2.243 -7.693 731 1HD2 ASN 95 1HD2 ASN 95 23.191 5.428 -5.993 732 2HD2 ASN 95 2HD2 ASN 95 22.315 4.162 -6.825 733 H LYS 96 H LYS 96 22.728 1.007 -9.268 734 HA LYS 96 HA LYS 96 23.804 -0.305 -11.640 735 1HB LYS 96 1HB LYS 96 24.826 -2.173 -10.362 736 2HB LYS 96 2HB LYS 96 25.698 -0.661 -10.205 737 1HG LYS 96 1HG LYS 96 24.881 -0.224 -8.019 738 2HG LYS 96 2HG LYS 96 23.694 -1.525 -8.070 739 1HD LYS 96 1HD LYS 96 26.628 -2.190 -8.397 740 2HD LYS 96 2HD LYS 96 26.000 -1.768 -6.802 741 1HE LYS 96 1HE LYS 96 25.979 -4.173 -7.054 742 2HE LYS 96 2HE LYS 96 24.327 -3.557 -6.904 743 1HZ LYS 96 1HZ LYS 96 25.644 -4.296 -9.418 744 2HZ LYS 96 2HZ LYS 96 24.549 -5.218 -8.599 745 3HZ LYS 96 3HZ LYS 96 24.085 -3.778 -9.252 746 H LYS 97 H LYS 97 21.219 0.234 -11.413 747 HA LYS 97 HA LYS 97 20.222 -2.445 -11.581 748 1HB LYS 97 1HB LYS 97 19.920 -1.960 -9.095 749 2HB LYS 97 2HB LYS 97 18.726 -0.735 -9.555 750 1HG LYS 97 1HG LYS 97 17.519 -2.561 -10.867 751 2HG LYS 97 2HG LYS 97 18.656 -3.723 -10.177 752 1HD LYS 97 1HD LYS 97 16.694 -1.934 -8.671 753 2HD LYS 97 2HD LYS 97 16.522 -3.672 -8.982 754 1HE LYS 97 1HE LYS 97 18.655 -2.392 -7.231 755 2HE LYS 97 2HE LYS 97 17.212 -3.247 -6.676 756 1HZ LYS 97 1HZ LYS 97 18.017 -5.213 -7.751 757 2HZ LYS 97 2HZ LYS 97 19.382 -4.432 -8.248 758 3HZ LYS 97 3HZ LYS 97 19.103 -4.661 -6.640 759 H LYS 98 H LYS 98 19.084 0.936 -11.243 760 HA LYS 98 HA LYS 98 17.828 2.259 -12.548 761 1HB LYS 98 1HB LYS 98 18.748 0.959 -14.576 762 2HB LYS 98 2HB LYS 98 17.233 0.030 -14.520 763 1HG LYS 98 1HG LYS 98 15.939 2.105 -14.869 764 2HG LYS 98 2HG LYS 98 17.434 3.052 -14.790 765 1HD LYS 98 1HD LYS 98 16.788 2.800 -17.084 766 2HD LYS 98 2HD LYS 98 18.252 1.837 -16.829 767 1HE LYS 98 1HE LYS 98 16.906 -0.228 -16.743 768 2HE LYS 98 2HE LYS 98 15.405 0.720 -16.814 769 1HZ LYS 98 1HZ LYS 98 16.056 1.462 -18.976 770 2HZ LYS 98 2HZ LYS 98 17.452 0.586 -18.906 771 3HZ LYS 98 3HZ LYS 98 15.994 -0.185 -18.920 772 H GLU 99 H GLU 99 15.468 2.571 -12.939 773 HA GLU 99 HA GLU 99 13.889 1.500 -10.886 774 1HB GLU 99 1HB GLU 99 13.531 3.671 -12.009 775 2HB GLU 99 2HB GLU 99 12.991 2.833 -13.474 776 1HG GLU 99 1HG GLU 99 11.085 1.869 -12.258 777 2HG GLU 99 2HG GLU 99 11.700 2.519 -10.731 778 H GLU 100 H GLU 100 12.478 -0.170 -10.739 779 HA GLU 100 HA GLU 100 11.501 -1.610 -13.089 780 1HB GLU 100 1HB GLU 100 13.652 -2.731 -12.671 781 2HB GLU 100 2HB GLU 100 13.203 -2.999 -10.982 782 1HG GLU 100 1HG GLU 100 11.245 -4.373 -11.746 783 2HG GLU 100 2HG GLU 100 11.751 -4.116 -13.424 784 H THR 101 H THR 101 9.397 -1.561 -12.671 785 HA THR 101 HA THR 101 8.291 -1.433 -9.977 786 HB THR 101 HB THR 101 6.923 -1.608 -12.688 787 HG1 THR 101 HG1 THR 101 6.790 0.641 -12.423 788 1HG2 THR 101 1HG2 THR 101 5.404 -2.159 -10.776 789 2HG2 THR 101 2HG2 THR 101 5.922 -0.673 -9.954 790 H LYS 102 H LYS 102 9.110 -3.455 -9.152 791 HA LYS 102 HA LYS 102 8.162 -5.957 -10.324 792 1HB LYS 102 1HB LYS 102 10.361 -5.887 -9.327 793 2HB LYS 102 2HB LYS 102 9.708 -5.299 -7.799 794 1HG LYS 102 1HG LYS 102 10.271 -7.708 -7.723 795 2HG LYS 102 2HG LYS 102 8.586 -7.379 -7.353 796 1HD LYS 102 1HD LYS 102 8.804 -9.370 -8.742 797 2HD LYS 102 2HD LYS 102 7.882 -8.127 -9.575 798 1HE LYS 102 1HE LYS 102 9.394 -9.209 -11.130 799 2HE LYS 102 2HE LYS 102 9.930 -7.541 -10.914 800 1HZ LYS 102 1HZ LYS 102 11.060 -9.902 -9.582 801 2HZ LYS 102 2HZ LYS 102 11.734 -9.090 -10.849 802 3HZ LYS 102 3HZ LYS 102 11.581 -8.350 -9.384 803 H SER 103 H SER 103 6.046 -6.356 -10.140 804 HA SER 103 HA SER 103 4.436 -5.423 -7.870 805 1HB SER 103 1HB SER 103 2.565 -6.290 -9.212 806 2HB SER 103 2HB SER 103 3.576 -5.148 -10.113 807 HG SER 103 HG SER 103 3.723 -7.976 -10.279 808 H PHE 104 H PHE 104 6.030 -6.856 -6.560 809 HA PHE 104 HA PHE 104 5.651 -9.650 -6.310 810 1HB PHE 104 1HB PHE 104 7.520 -8.470 -5.347 811 2HB PHE 104 2HB PHE 104 6.453 -7.437 -4.402 812 HD1 PHE 104 HD1 PHE 104 6.489 -11.205 -4.795 813 HD2 PHE 104 HD2 PHE 104 7.180 -7.826 -2.204 814 HE1 PHE 104 HE1 PHE 104 6.801 -12.736 -2.878 815 HE2 PHE 104 HE2 PHE 104 7.692 -9.373 -0.346 816 HZ PHE 104 1HZ PHE 104 7.411 -11.826 -0.646 817 HA PRO 105 HA PRO 105 1.429 -8.751 -5.352 818 1HB PRO 105 1HB PRO 105 0.206 -11.156 -5.591 819 2HB PRO 105 2HB PRO 105 1.055 -10.360 -6.931 820 1HG PRO 105 1HG PRO 105 2.233 -12.463 -5.089 821 2HG PRO 105 2HG PRO 105 2.159 -12.489 -6.875 822 1HD PRO 105 1HD PRO 105 4.348 -11.575 -5.553 823 2HD PRO 105 2HD PRO 105 3.786 -10.795 -7.059 824 H ILE 106 H ILE 106 0.700 -11.732 -3.772 825 HA ILE 106 HA ILE 106 1.376 -10.938 -1.098 826 HB ILE 106 HB ILE 106 -0.643 -9.456 -1.794 827 1HG1 ILE 106 1HG1 ILE 106 -1.903 -9.770 0.304 828 2HG1 ILE 106 2HG1 ILE 106 -0.926 -11.246 0.647 829 1HG2 ILE 106 1HG2 ILE 106 -1.873 -11.239 -3.026 830 2HG2 ILE 106 2HG2 ILE 106 -2.190 -12.063 -1.480 831 3HG2 ILE 106 3HG2 ILE 106 -2.839 -10.451 -1.767 832 1HD1 ILE 106 1HD1 ILE 106 0.201 -8.419 0.201 833 2HD1 ILE 106 2HD1 ILE 106 -0.169 -9.091 1.795 834 3HD1 ILE 106 3HD1 ILE 106 1.094 -9.834 0.807 835 H THR 107 H THR 107 0.750 -12.578 0.457 836 HA THR 107 HA THR 107 0.130 -15.248 -0.750 837 HB THR 107 HB THR 107 1.213 -16.170 1.253 838 HG1 THR 107 HG1 THR 107 1.793 -13.465 1.859 839 1HG2 THR 107 1HG2 THR 107 2.996 -14.179 -0.208 840 2HG2 THR 107 2HG2 THR 107 3.525 -15.598 0.719 841 H GLU 108 H GLU 108 -0.942 -16.709 0.872 842 HA GLU 108 HA GLU 108 -2.926 -15.321 2.631 843 1HB GLU 108 1HB GLU 108 -3.286 -17.972 1.171 844 2HB GLU 108 2HB GLU 108 -4.456 -17.154 2.229 845 1HG GLU 108 1HG GLU 108 -4.374 -15.191 0.606 846 2HG GLU 108 2HG GLU 108 -3.455 -16.224 -0.496 847 H LYS 109 H LYS 109 -0.453 -15.586 3.545 848 HA LYS 109 HA LYS 109 -0.486 -17.783 5.494 849 1HB LYS 109 1HB LYS 109 0.436 -18.840 3.484 850 2HB LYS 109 2HB LYS 109 1.609 -17.538 3.287 851 1HG LYS 109 1HG LYS 109 2.651 -18.184 5.477 852 2HG LYS 109 2HG LYS 109 1.469 -19.504 5.615 853 1HD LYS 109 1HD LYS 109 2.320 -20.475 3.495 854 2HD LYS 109 2HD LYS 109 3.470 -19.131 3.338 855 1HE LYS 109 1HE LYS 109 4.550 -19.807 5.469 856 2HE LYS 109 2HE LYS 109 3.414 -21.166 5.607 857 1HZ LYS 109 1HZ LYS 109 5.339 -20.752 3.433 858 2HZ LYS 109 2HZ LYS 109 5.492 -21.834 4.668 859 3HZ LYS 109 3HZ LYS 109 4.286 -22.015 3.557 860 H GLY 110 H GLY 110 2.116 -15.717 4.091 861 1HA GLY 110 1HA GLY 110 2.359 -13.598 5.739 862 2HA GLY 110 2HA GLY 110 2.912 -14.904 6.792 863 H PHE 111 H PHE 111 4.323 -12.580 5.405 864 HA PHE 111 HA PHE 111 6.756 -14.104 5.145 865 1HB PHE 111 1HB PHE 111 7.520 -13.125 3.037 866 2HB PHE 111 2HB PHE 111 6.176 -14.232 2.827 867 HD1 PHE 111 HD1 PHE 111 7.228 -10.671 2.642 868 HD2 PHE 111 HD2 PHE 111 4.035 -13.483 2.003 869 HE1 PHE 111 HE1 PHE 111 5.993 -8.973 1.322 870 HE2 PHE 111 HE2 PHE 111 2.835 -11.805 0.615 871 HZ PHE 111 1HZ PHE 111 3.833 -9.561 0.243 872 H VAL 112 H VAL 112 8.283 -13.064 6.199 873 HA VAL 112 HA VAL 112 7.898 -10.417 7.288 874 HB VAL 112 HB VAL 112 10.192 -12.418 7.278 875 1HG1 VAL 112 1HG1 VAL 112 10.054 -9.677 8.575 876 2HG1 VAL 112 2HG1 VAL 112 11.189 -10.947 9.078 877 3HG1 VAL 112 3HG1 VAL 112 11.286 -10.277 7.447 878 1HG2 VAL 112 1HG2 VAL 112 8.192 -13.008 8.633 879 2HG2 VAL 112 2HG2 VAL 112 9.585 -12.645 9.663 880 3HG2 VAL 112 3HG2 VAL 112 8.295 -11.443 9.464 881 H VAL 113 H VAL 113 8.534 -8.504 6.447 882 HA VAL 113 HA VAL 113 9.654 -8.290 3.812 883 HB VAL 113 HB VAL 113 9.186 -6.242 6.006 884 1HG1 VAL 113 1HG1 VAL 113 9.911 -5.818 3.069 885 2HG1 VAL 113 2HG1 VAL 113 9.425 -4.549 4.210 886 3HG1 VAL 113 3HG1 VAL 113 10.945 -5.418 4.456 887 1HG2 VAL 113 1HG2 VAL 113 7.135 -7.316 5.078 888 2HG2 VAL 113 2HG2 VAL 113 7.250 -5.610 4.618 889 3HG2 VAL 113 3HG2 VAL 113 7.659 -6.877 3.441 890 HA PRO 114 HA PRO 114 13.732 -9.006 5.537 891 1HB PRO 114 1HB PRO 114 15.266 -9.061 3.287 892 2HB PRO 114 2HB PRO 114 14.027 -10.282 3.655 893 1HG PRO 114 1HG PRO 114 13.685 -7.871 1.848 894 2HG PRO 114 2HG PRO 114 13.297 -9.577 1.502 895 1HD PRO 114 1HD PRO 114 11.427 -7.793 2.392 896 2HD PRO 114 2HD PRO 114 11.396 -9.517 2.874 897 H ASP 115 H ASP 115 15.048 -7.001 2.974 898 HA ASP 115 HA ASP 115 15.125 -4.499 4.374 899 1HB ASP 115 1HB ASP 115 17.528 -4.519 4.944 900 2HB ASP 115 2HB ASP 115 16.662 -5.734 5.871 901 H LEU 116 H LEU 116 16.858 -3.067 3.326 902 HA LEU 116 HA LEU 116 17.831 -3.816 0.724 903 1HB LEU 116 1HB LEU 116 16.644 -2.227 -0.620 904 2HB LEU 116 2HB LEU 116 15.543 -3.366 0.119 905 HG LEU 116 HG LEU 116 14.397 -1.430 0.138 906 1HD1 LEU 116 1HD1 LEU 116 14.289 -2.438 2.379 907 2HD1 LEU 116 2HD1 LEU 116 15.551 -1.309 2.938 908 3HD1 LEU 116 3HD1 LEU 116 13.994 -0.695 2.380 909 1HD2 LEU 116 1HD2 LEU 116 16.164 0.122 -0.517 910 2HD2 LEU 116 2HD2 LEU 116 15.110 0.788 0.734 911 3HD2 LEU 116 3HD2 LEU 116 16.728 0.226 1.161 912 H SER 117 H SER 117 19.567 -2.601 0.113 913 HA SER 117 HA SER 117 20.320 -0.117 1.392 914 1HB SER 117 1HB SER 117 20.570 -1.870 3.258 915 2HB SER 117 2HB SER 117 21.810 -2.638 2.259 916 HG SER 117 HG SER 117 21.804 0.039 3.212 917 H GLU 118 H GLU 118 22.918 -0.042 1.148 918 HA GLU 118 HA GLU 118 24.767 -0.014 -0.022 919 1HB GLU 118 1HB GLU 118 24.439 -2.472 0.009 920 2HB GLU 118 2HB GLU 118 23.773 -2.419 -1.621 921 1HG GLU 118 1HG GLU 118 26.546 -1.397 -0.831 922 2HG GLU 118 2HG GLU 118 26.212 -3.024 -1.427 923 H HIS 119 H HIS 119 22.746 -1.072 -2.774 924 HA HIS 119 HA HIS 119 23.364 1.477 -4.195 925 1HB HIS 119 1HB HIS 119 22.914 0.215 -6.226 926 2HB HIS 119 2HB HIS 119 24.237 -0.473 -5.296 927 HD1 HIS 119 HD1 HIS 119 23.512 -2.771 -3.820 928 HD2 HIS 119 HD2 HIS 119 21.000 -1.453 -6.925 929 HE1 HIS 119 HE1 HIS 119 21.984 -4.731 -4.413 930 H ILE 120 H ILE 120 20.787 -0.944 -3.614 931 HA ILE 120 HA ILE 120 18.707 0.861 -4.512 932 HB ILE 120 HB ILE 120 18.418 -1.405 -5.033 933 1HG1 ILE 120 1HG1 ILE 120 16.227 -1.901 -4.149 934 2HG1 ILE 120 2HG1 ILE 120 16.485 -0.825 -2.753 935 1HG2 ILE 120 1HG2 ILE 120 19.757 -2.561 -3.327 936 2HG2 ILE 120 2HG2 ILE 120 18.545 -2.182 -2.090 937 3HG2 ILE 120 3HG2 ILE 120 18.135 -3.234 -3.450 938 1HD1 ILE 120 1HD1 ILE 120 16.496 0.094 -5.673 939 2HD1 ILE 120 2HD1 ILE 120 15.082 0.154 -4.604 940 3HD1 ILE 120 3HD1 ILE 120 16.485 1.134 -4.225 941 H LYS 121 H LYS 121 18.300 2.586 -3.289 942 HA LYS 121 HA LYS 121 17.919 2.335 -0.349 943 1HB LYS 121 1HB LYS 121 19.924 4.063 -1.825 944 2HB LYS 121 2HB LYS 121 19.383 4.422 -0.173 945 1HG LYS 121 1HG LYS 121 20.242 2.284 0.631 946 2HG LYS 121 2HG LYS 121 20.723 1.819 -1.010 947 1HD LYS 121 1HD LYS 121 22.645 2.554 0.223 948 2HD LYS 121 2HD LYS 121 22.326 3.640 -1.142 949 1HE LYS 121 1HE LYS 121 21.380 5.321 0.381 950 2HE LYS 121 2HE LYS 121 21.521 4.197 1.751 951 1HZ LYS 121 1HZ LYS 121 23.743 5.274 0.168 952 2HZ LYS 121 2HZ LYS 121 23.299 5.773 1.675 953 3HZ LYS 121 3HZ LYS 121 23.881 4.247 1.451 954 H ASN 122 H ASN 122 16.373 3.195 -3.106 955 HA ASN 122 HA ASN 122 14.584 4.790 -1.511 956 1HB ASN 122 1HB ASN 122 14.429 6.766 -2.717 957 2HB ASN 122 2HB ASN 122 16.114 6.559 -2.263 958 1HD2 ASN 122 1HD2 ASN 122 16.933 5.742 -5.867 959 2HD2 ASN 122 2HD2 ASN 122 17.044 4.843 -4.372 960 HA PRO 123 HA PRO 123 12.805 1.960 -4.717 961 1HB PRO 123 1HB PRO 123 11.443 0.199 -3.060 962 2HB PRO 123 2HB PRO 123 13.156 0.041 -3.478 963 1HG PRO 123 1HG PRO 123 12.051 1.346 -0.984 964 2HG PRO 123 2HG PRO 123 13.323 0.102 -1.136 965 1HD PRO 123 1HD PRO 123 13.978 2.692 -0.891 966 2HD PRO 123 2HD PRO 123 14.860 1.647 -2.035 967 H GLY 124 H GLY 124 10.489 1.839 -2.033 968 1HA GLY 124 1HA GLY 124 8.556 3.425 -1.950 969 2HA GLY 124 2HA GLY 124 8.509 3.317 -3.719 970 H PHE 125 H PHE 125 8.288 1.416 -0.723 971 HA PHE 125 HA PHE 125 7.158 -0.979 -1.939 972 1HB PHE 125 1HB PHE 125 7.458 0.039 0.897 973 2HB PHE 125 2HB PHE 125 6.676 -1.492 0.497 974 HD1 PHE 125 HD1 PHE 125 9.897 0.388 0.436 975 HD2 PHE 125 HD2 PHE 125 7.980 -3.453 0.004 976 HE1 PHE 125 HE1 PHE 125 12.075 -0.738 0.743 977 HE2 PHE 125 HE2 PHE 125 10.176 -4.572 0.278 978 HZ PHE 125 1HZ PHE 125 12.228 -3.219 0.645 979 H ASN 126 H ASN 126 5.304 -0.419 -3.099 980 HA ASN 126 HA ASN 126 3.403 1.497 -1.950 981 1HB ASN 126 1HB ASN 126 3.509 0.075 -4.614 982 2HB ASN 126 2HB ASN 126 2.389 1.377 -4.191 983 1HD2 ASN 126 1HD2 ASN 126 5.341 2.772 -6.095 984 2HD2 ASN 126 2HD2 ASN 126 4.175 1.504 -6.403 985 H LEU 127 H LEU 127 2.456 0.396 -0.233 986 HA LEU 127 HA LEU 127 0.871 -2.040 -0.611 987 1HB LEU 127 1HB LEU 127 1.280 -0.024 1.628 988 2HB LEU 127 2HB LEU 127 0.004 -1.229 1.725 989 HG LEU 127 HG LEU 127 2.107 -1.753 2.946 990 1HD1 LEU 127 1HD1 LEU 127 0.988 -3.748 0.958 991 2HD1 LEU 127 2HD1 LEU 127 2.030 -4.164 2.335 992 3HD1 LEU 127 3HD1 LEU 127 0.449 -3.420 2.613 993 1HD2 LEU 127 1HD2 LEU 127 3.758 -1.078 1.252 994 2HD2 LEU 127 2HD2 LEU 127 3.984 -2.751 1.784 995 3HD2 LEU 127 3HD2 LEU 127 3.241 -2.424 0.210 996 H ILE 128 H ILE 128 0.048 -0.757 -2.642 997 HA ILE 128 HA ILE 128 -2.480 0.699 -2.023 998 HB ILE 128 HB ILE 128 -0.592 0.695 -4.374 999 1HG1 ILE 128 1HG1 ILE 128 -0.946 3.104 -4.291 1000 2HG1 ILE 128 2HG1 ILE 128 -2.213 2.898 -3.031 1001 1HG2 ILE 128 1HG2 ILE 128 -3.558 1.392 -4.474 1002 2HG2 ILE 128 2HG2 ILE 128 -2.366 1.859 -5.703 1003 3HG2 ILE 128 3HG2 ILE 128 -2.719 0.155 -5.440 1004 1HD1 ILE 128 1HD1 ILE 128 0.724 2.153 -2.629 1005 2HD1 ILE 128 2HD1 ILE 128 0.047 3.748 -2.242 1006 3HD1 ILE 128 3HD1 ILE 128 -0.547 2.323 -1.389 1007 H THR 129 H THR 129 -4.314 -0.399 -2.279 1008 HA THR 129 HA THR 129 -4.421 -2.939 -3.809 1009 HB THR 129 1HB THR 129 -4.900 -2.612 -0.812 1010 HG1 THR 129 HG1 THR 129 -2.752 -2.963 -1.409 1011 1HG2 THR 129 1HG2 THR 129 -6.651 -4.070 -1.651 1012 2HG2 THR 129 2HG2 THR 129 -5.483 -4.987 -2.632 1013 H LYS 130 H LYS 130 -6.344 -3.142 -4.821 1014 HA LYS 130 HA LYS 130 -8.469 -1.217 -4.590 1015 1HB LYS 130 1HB LYS 130 -8.020 -3.862 -5.968 1016 2HB LYS 130 2HB LYS 130 -9.684 -3.299 -5.805 1017 1HG LYS 130 1HG LYS 130 -7.555 -1.486 -6.970 1018 2HG LYS 130 2HG LYS 130 -8.400 -2.700 -7.947 1019 1HD LYS 130 1HD LYS 130 -10.591 -1.732 -7.353 1020 2HD LYS 130 2HD LYS 130 -9.802 -0.527 -6.332 1021 1HE LYS 130 1HE LYS 130 -10.346 0.520 -8.422 1022 2HE LYS 130 2HE LYS 130 -8.583 0.328 -8.364 1023 1HZ LYS 130 1HZ LYS 130 -10.464 -1.432 -9.775 1024 2HZ LYS 130 2HZ LYS 130 -9.504 -0.288 -10.474 1025 3HZ LYS 130 3HZ LYS 130 -8.824 -1.602 -9.749 1026 H VAL 131 H VAL 131 -10.178 -1.171 -3.241 1027 HA VAL 131 HA VAL 131 -11.055 -3.636 -1.876 1028 HB VAL 131 HB VAL 131 -11.274 -2.552 0.267 1029 1HG1 VAL 131 1HG1 VAL 131 -9.080 -3.637 -0.283 1030 2HG1 VAL 131 2HG1 VAL 131 -8.431 -2.034 -0.680 1031 3HG1 VAL 131 3HG1 VAL 131 -8.982 -2.383 0.965 1032 1HG2 VAL 131 1HG2 VAL 131 -10.108 -0.071 -1.062 1033 2HG2 VAL 131 2HG2 VAL 131 -11.709 -0.261 -0.331 1034 3HG2 VAL 131 3HG2 VAL 131 -10.275 -0.293 0.696 1035 H VAL 132 H VAL 132 -13.236 -3.472 -1.038 1036 HA VAL 132 HA VAL 132 -14.929 -1.658 -2.698 1037 HB VAL 132 HB VAL 132 -15.598 -4.362 -1.477 1038 1HG1 VAL 132 1HG1 VAL 132 -17.094 -2.572 -3.430 1039 2HG1 VAL 132 2HG1 VAL 132 -17.615 -4.185 -2.905 1040 3HG1 VAL 132 3HG1 VAL 132 -17.566 -2.852 -1.743 1041 1HG2 VAL 132 1HG2 VAL 132 -14.967 -3.575 -4.360 1042 2HG2 VAL 132 2HG2 VAL 132 -13.978 -4.632 -3.330 1043 3HG2 VAL 132 3HG2 VAL 132 -15.589 -5.154 -3.836 1044 H ILE 133 H ILE 133 -16.016 -0.117 -1.608 1045 HA ILE 133 HA ILE 133 -16.528 -0.414 1.316 1046 HB ILE 133 HB ILE 133 -15.607 2.115 -0.112 1047 1HG1 ILE 133 1HG1 ILE 133 -14.077 0.157 1.653 1048 2HG1 ILE 133 2HG1 ILE 133 -13.776 0.564 -0.048 1049 1HG2 ILE 133 1HG2 ILE 133 -16.074 1.510 2.839 1050 2HG2 ILE 133 2HG2 ILE 133 -15.435 3.038 2.191 1051 3HG2 ILE 133 3HG2 ILE 133 -17.073 2.572 1.821 1052 1HD1 ILE 133 1HD1 ILE 133 -13.327 2.971 0.749 1053 2HD1 ILE 133 2HD1 ILE 133 -13.324 2.325 2.409 1054 3HD1 ILE 133 3HD1 ILE 133 -12.138 1.746 1.237 1055 H GLU 134 H GLU 134 -18.404 0.430 2.051 1056 HA GLU 134 HA GLU 134 -20.236 1.904 0.227 1057 1HB GLU 134 1HB GLU 134 -21.001 -0.283 2.204 1058 2HB GLU 134 2HB GLU 134 -22.139 0.792 1.379 1059 1HG GLU 134 1HG GLU 134 -21.392 -0.070 -0.814 1060 2HG GLU 134 2HG GLU 134 -20.281 -1.186 -0.007 1061 H LYS 135 H LYS 135 -21.597 3.398 1.371 1062 HA LYS 135 HA LYS 135 -20.405 4.532 3.778 1063 1HB LYS 135 1HB LYS 135 -21.257 5.993 2.062 1064 2HB LYS 135 2HB LYS 135 -22.878 5.278 2.163 1065 1HG LYS 135 1HG LYS 135 -23.248 6.170 4.359 1066 2HG LYS 135 2HG LYS 135 -21.536 6.563 4.569 1067 1HD LYS 135 1HD LYS 135 -21.699 8.247 2.744 1068 2HD LYS 135 2HD LYS 135 -23.436 7.896 2.599 1069 1HE LYS 135 1HE LYS 135 -23.767 8.596 4.957 1070 2HE LYS 135 2HE LYS 135 -22.025 8.901 5.118 1071 1HZ LYS 135 1HZ LYS 135 -22.217 10.566 3.431 1072 2HZ LYS 135 2HZ LYS 135 -23.835 10.289 3.277 1073 3HZ LYS 135 3HZ LYS 135 -23.232 10.894 4.689 1074 H LYS 136 H LYS 136 -21.228 4.441 5.838 1075 HA LYS 136 HA LYS 136 -23.810 3.158 6.392 1076 1HB LYS 136 1HB LYS 136 -22.897 1.531 7.944 1077 2HB LYS 136 2HB LYS 136 -22.264 1.280 6.322 1078 1HG LYS 136 1HG LYS 136 -20.397 0.949 7.584 1079 2HG LYS 136 2HG LYS 136 -20.173 2.644 7.140 1080 1HD LYS 136 1HD LYS 136 -21.079 3.305 9.391 1081 2HD LYS 136 2HD LYS 136 -21.312 1.596 9.786 1082 1HE LYS 136 1HE LYS 136 -18.649 2.927 9.137 1083 2HE LYS 136 2HE LYS 136 -19.253 2.595 10.767 1084 1HZ LYS 136 1HZ LYS 136 -19.268 0.276 10.247 1085 2HZ LYS 136 2HZ LYS 136 -18.684 0.564 8.733 1086 3HZ LYS 136 3HZ LYS 136 -17.757 0.909 10.050 No H/Q in entry = 1086
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