NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
537972 | 2lrg | 18364 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 9.650 -22.371 12.247 2 HA2 GLY 1 1HA GLY 1 11.126 -20.430 12.085 3 HA3 GLY 1 2HA GLY 1 9.868 -19.651 11.097 4 H ALA 2 H ALA 2 11.057 -18.881 13.755 5 HA ALA 2 HA ALA 2 8.509 -18.371 15.158 6 HB1 ALA 2 1HB ALA 2 9.655 -18.652 17.334 7 HB2 ALA 2 2HB ALA 2 9.501 -20.187 16.459 8 HB3 ALA 2 3HB ALA 2 11.069 -19.349 16.506 9 H SER 3 H SER 3 8.815 -16.539 13.746 10 HA SER 3 HA SER 3 10.077 -14.301 14.934 11 HB3 SER 3 2HB SER 3 11.476 -13.675 12.927 12 HG SER 3 HG SER 3 11.993 -15.836 14.613 13 H ASP 4 H ASP 4 9.895 -12.634 12.598 14 HA ASP 4 HA ASP 4 7.124 -12.049 12.694 15 HB3 ASP 4 2HB ASP 4 8.747 -10.334 12.824 16 H PHE 5 H PHE 5 6.114 -13.874 11.681 17 HA PHE 5 HA PHE 5 5.867 -13.520 8.736 18 HB3 PHE 5 2HB PHE 5 5.778 -15.868 8.378 19 HD1 PHE 5 2HD PHE 5 8.018 -14.542 7.613 20 HD2 PHE 5 1HD PHE 5 7.646 -16.985 11.147 21 HE1 PHE 5 2HE PHE 5 10.484 -14.780 7.710 22 HE2 PHE 5 1HE PHE 5 10.120 -17.221 11.235 23 HZ PHE 5 HZ PHE 5 11.543 -16.104 9.523 24 H GLN 6 H GLN 6 3.917 -12.402 8.785 25 HA GLN 6 HA GLN 6 1.610 -13.946 9.603 26 HB3 GLN 6 2HB GLN 6 0.717 -11.609 10.283 27 HG3 GLN 6 2HG GLN 6 2.737 -12.974 12.114 28 HE21 GLN 6 1HE2 GLN 6 0.921 -10.132 12.007 29 HE22 GLN 6 2HE2 GLN 6 0.605 -10.026 13.699 30 H THR 7 H THR 7 0.378 -14.042 7.871 31 HA THR 7 HA THR 7 0.299 -11.917 5.770 32 HB THR 7 HB THR 7 -0.080 -14.051 4.241 33 HG1 THR 7 1HG THR 7 1.820 -15.334 5.717 34 HG21 THR 7 3HG2 THR 7 1.766 -12.564 3.832 35 HG22 THR 7 1HG2 THR 7 2.284 -14.254 3.713 36 HG23 THR 7 2HG2 THR 7 2.711 -13.294 5.154 37 H GLY 8 H GLY 8 -1.691 -12.456 4.234 38 HA2 GLY 8 1HA GLY 8 -3.453 -14.144 4.107 39 HA3 GLY 8 2HA GLY 8 -3.905 -13.740 5.768 40 H ILE 9 H ILE 9 -4.961 -11.807 6.199 41 HA ILE 9 HA ILE 9 -6.201 -10.463 3.870 42 HB ILE 9 HB ILE 9 -6.740 -9.932 6.831 43 HG13 ILE 9 2HG1 ILE 9 -8.065 -11.869 4.912 44 HG21 ILE 9 1HG2 ILE 9 -8.246 -9.144 4.290 45 HG22 ILE 9 2HG2 ILE 9 -8.716 -8.741 5.952 46 HG23 ILE 9 3HG2 ILE 9 -7.243 -8.057 5.275 47 HD11 ILE 9 3HD1 ILE 9 -7.702 -11.898 7.944 48 HD12 ILE 9 1HD1 ILE 9 -8.487 -13.165 6.989 49 HD13 ILE 9 2HD1 ILE 9 -6.759 -12.867 6.792 50 H HIS 10 H HIS 10 -5.267 -8.555 3.189 51 HA HIS 10 HA HIS 10 -3.278 -7.203 4.960 52 HB3 HIS 10 2HB HIS 10 -2.402 -6.276 2.797 53 HD1 HIS 10 1HD HIS 10 0.028 -7.088 3.211 54 HD2 HIS 10 2HD HIS 10 -2.800 -10.186 2.891 55 HE1 HIS 10 1HE HIS 10 1.312 -9.270 3.493 56 H LYS 11 H LYS 11 -3.655 -4.962 5.247 57 HA LYS 11 HA LYS 11 -6.063 -3.785 3.986 58 HB3 LYS 11 2HB LYS 11 -7.017 -3.061 6.054 59 HG3 LYS 11 2HG LYS 11 -6.270 -5.972 6.597 60 HD3 LYS 11 2HD LYS 11 -8.625 -6.146 7.346 61 HE3 LYS 11 2HE LYS 11 -7.144 -4.033 8.958 62 HZ1 LYS 11 3HZ LYS 11 -9.443 -4.724 9.612 63 HZ2 LYS 11 1HZ LYS 11 -8.338 -4.918 10.779 64 HZ3 LYS 11 2HZ LYS 11 -8.876 -6.219 9.958 65 H ILE 12 H ILE 12 -5.900 -1.336 3.899 66 HA ILE 12 HA ILE 12 -3.341 -0.287 4.820 67 HB ILE 12 HB ILE 12 -3.477 -1.326 2.433 68 HG13 ILE 12 2HG1 ILE 12 -2.068 0.872 3.489 69 HG21 ILE 12 1HG2 ILE 12 -4.994 1.217 1.790 70 HG22 ILE 12 2HG2 ILE 12 -4.219 0.150 0.622 71 HG23 ILE 12 3HG2 ILE 12 -5.561 -0.458 1.601 72 HD11 ILE 12 3HD1 ILE 12 -0.412 0.283 1.686 73 HD12 ILE 12 1HD1 ILE 12 -0.928 -1.086 2.695 74 HD13 ILE 12 2HD1 ILE 12 -1.593 -0.887 1.059 75 H VAL 13 H VAL 13 -3.429 2.053 4.981 76 HA VAL 13 HA VAL 13 -6.117 3.297 4.838 77 HB VAL 13 HB VAL 13 -4.162 3.594 7.157 78 HG11 VAL 13 1HG1 VAL 13 -6.106 4.645 8.293 79 HG12 VAL 13 2HG1 VAL 13 -5.679 5.522 6.827 80 HG13 VAL 13 3HG1 VAL 13 -7.082 4.432 6.835 81 HG21 VAL 13 3HG2 VAL 13 -6.660 1.859 7.065 82 HG22 VAL 13 1HG2 VAL 13 -4.986 1.314 7.328 83 HG23 VAL 13 2HG2 VAL 13 -5.773 2.306 8.540 84 H ILE 14 H ILE 14 -5.994 5.502 4.169 85 HA ILE 14 HA ILE 14 -3.311 6.698 4.003 86 HB ILE 14 HB ILE 14 -5.320 6.860 1.726 87 HG13 ILE 14 2HG1 ILE 14 -4.457 4.593 1.771 88 HG21 ILE 14 1HG2 ILE 14 -3.384 7.966 0.523 89 HG22 ILE 14 2HG2 ILE 14 -4.018 8.874 1.871 90 HG23 ILE 14 3HG2 ILE 14 -2.515 7.966 2.072 91 HD11 ILE 14 3HD1 ILE 14 -3.538 4.369 -0.339 92 HD12 ILE 14 1HD1 ILE 14 -4.600 5.762 -0.429 93 HD13 ILE 14 2HD1 ILE 14 -2.827 5.990 -0.341 94 H GLN 15 H GLN 15 -3.426 8.965 4.318 95 HA GLN 15 HA GLN 15 -6.104 10.157 4.697 96 HB3 GLN 15 2HB GLN 15 -5.253 11.299 6.716 97 HG3 GLN 15 2HG GLN 15 -4.800 8.300 7.050 98 HE21 GLN 15 1HE2 GLN 15 -4.541 7.631 9.252 99 HE22 GLN 15 2HE2 GLN 15 -4.507 8.781 10.555 100 H GLN 16 H GLN 16 -6.086 12.461 4.263 101 HA GLN 16 HA GLN 16 -3.442 13.576 3.712 102 HB3 GLN 16 2HB GLN 16 -4.361 12.745 1.495 103 HG3 GLN 16 2HG GLN 16 -6.227 15.112 1.786 104 HE21 GLN 16 1HE2 GLN 16 -7.845 15.135 -0.032 105 HE22 GLN 16 2HE2 GLN 16 -7.188 14.853 -1.643 106 H SER 17 H SER 17 -3.366 15.846 3.954 107 HA SER 17 HA SER 17 -5.842 17.255 4.417 108 HB3 SER 17 2HB SER 17 -5.647 16.633 6.670 109 HG SER 17 HG SER 17 -3.769 16.414 7.773 110 H GLY 18 H GLY 18 -5.272 19.638 4.883 111 HA2 GLY 18 1HA GLY 18 -3.891 21.500 4.446 112 HA3 GLY 18 2HA GLY 18 -2.857 20.510 3.397 113 H ASP 19 H ASP 19 -3.137 21.585 1.442 114 HA ASP 19 HA ASP 19 -5.707 22.580 0.536 115 HB3 ASP 19 2HB ASP 19 -3.006 22.385 -0.874 116 H THR 20 H THR 20 -6.672 20.305 0.889 117 HA THR 20 HA THR 20 -6.061 18.247 -1.020 118 HB THR 20 HB THR 20 -8.151 17.244 -0.282 119 HG1 THR 20 1HG THR 20 -9.478 19.019 -0.174 120 HG21 THR 20 3HG2 THR 20 -6.888 18.598 2.150 121 HG22 THR 20 1HG2 THR 20 -6.100 17.292 1.254 122 HG23 THR 20 2HG2 THR 20 -7.652 17.007 2.071 123 H ASP 21 H ASP 21 -8.033 21.133 -1.177 124 HA ASP 21 HA ASP 21 -9.821 20.494 -3.264 125 HB3 ASP 21 2HB ASP 21 -9.691 23.055 -3.689 126 H SER 22 H SER 22 -6.387 21.376 -3.428 127 HA SER 22 HA SER 22 -6.527 21.398 -6.395 128 HB3 SER 22 2HB SER 22 -4.551 23.245 -5.543 129 HG SER 22 HG SER 22 -6.876 24.429 -6.000 130 H PHE 23 H PHE 23 -5.670 19.216 -4.451 131 HA PHE 23 HA PHE 23 -3.083 18.675 -5.837 132 HB3 PHE 23 2HB PHE 23 -2.700 17.136 -3.789 133 HD1 PHE 23 1HD PHE 23 -3.103 20.863 -3.174 134 HD2 PHE 23 2HD PHE 23 -0.436 17.552 -3.721 135 HE1 PHE 23 1HE PHE 23 -1.206 22.275 -2.495 136 HE2 PHE 23 2HE PHE 23 1.464 18.952 -2.962 137 HZ PHE 23 HZ PHE 23 1.083 21.344 -2.359 138 H GLU 24 H GLU 24 -3.394 17.089 -7.244 139 HA GLU 24 HA GLU 24 -5.450 14.985 -6.920 140 HB3 GLU 24 2HB GLU 24 -4.405 14.138 -8.995 141 HG3 GLU 24 2HG GLU 24 -4.897 16.983 -9.742 142 H VAL 25 H VAL 25 -4.887 12.964 -6.117 143 HA VAL 25 HA VAL 25 -2.068 12.284 -5.648 144 HB VAL 25 HB VAL 25 -4.234 12.113 -3.507 145 HG11 VAL 25 1HG1 VAL 25 -2.632 10.272 -3.364 146 HG12 VAL 25 2HG1 VAL 25 -1.277 11.407 -3.423 147 HG13 VAL 25 3HG1 VAL 25 -2.385 11.398 -2.028 148 HG21 VAL 25 3HG2 VAL 25 -1.895 14.020 -3.616 149 HG22 VAL 25 1HG2 VAL 25 -3.634 14.412 -3.638 150 HG23 VAL 25 2HG2 VAL 25 -2.931 13.707 -2.193 151 H SER 26 H SER 26 -2.009 10.302 -6.870 152 HA SER 26 HA SER 26 -4.491 8.639 -6.789 153 HB3 SER 26 2HB SER 26 -4.316 8.250 -9.069 154 HG SER 26 HG SER 26 -3.872 10.464 -9.939 155 H VAL 27 H VAL 27 -4.272 6.599 -6.205 156 HA VAL 27 HA VAL 27 -1.534 5.415 -6.079 157 HB VAL 27 HB VAL 27 -2.429 4.064 -4.156 158 HG11 VAL 27 1HG1 VAL 27 -2.069 5.864 -2.492 159 HG12 VAL 27 2HG1 VAL 27 -0.869 5.873 -3.777 160 HG13 VAL 27 3HG1 VAL 27 -2.188 7.072 -3.788 161 HG21 VAL 27 3HG2 VAL 27 -4.890 4.552 -4.442 162 HG22 VAL 27 1HG2 VAL 27 -4.279 4.857 -2.820 163 HG23 VAL 27 2HG2 VAL 27 -4.579 6.216 -3.920 164 H SER 28 H SER 28 -1.227 3.522 -7.076 165 HA SER 28 HA SER 28 -3.430 2.077 -8.380 166 HB3 SER 28 2HB SER 28 -1.683 0.778 -9.356 167 HG SER 28 HG SER 28 -1.431 2.603 -10.478 168 H ILE 29 H ILE 29 -4.445 0.362 -7.296 169 HA ILE 29 HA ILE 29 -3.272 -0.499 -4.691 170 HB ILE 29 HB ILE 29 -6.114 -0.070 -5.657 171 HG13 ILE 29 2HG1 ILE 29 -4.617 1.897 -4.723 172 HG21 ILE 29 1HG2 ILE 29 -6.901 -1.566 -4.216 173 HG22 ILE 29 2HG2 ILE 29 -5.273 -1.976 -3.629 174 HG23 ILE 29 3HG2 ILE 29 -6.204 -0.691 -2.865 175 HD11 ILE 29 3HD1 ILE 29 -7.298 1.302 -3.438 176 HD12 ILE 29 1HD1 ILE 29 -6.455 2.863 -3.415 177 HD13 ILE 29 2HD1 ILE 29 -7.007 2.183 -4.961 178 H GLY 30 H GLY 30 -3.034 -2.772 -4.442 179 HA2 GLY 30 1HA GLY 30 -4.225 -4.712 -6.116 180 HA3 GLY 30 2HA GLY 30 -2.711 -4.203 -6.839 181 H GLY 31 H GLY 31 -2.703 -6.715 -6.301 182 HA2 GLY 31 1HA GLY 31 -0.535 -7.158 -4.610 183 HA3 GLY 31 2HA GLY 31 -1.982 -7.606 -3.709 184 H ALA 32 H ALA 32 -0.642 -9.791 -3.993 185 HA ALA 32 HA ALA 32 -1.897 -11.256 -6.217 186 HB1 ALA 32 1HB ALA 32 1.014 -11.680 -5.458 187 HB2 ALA 32 2HB ALA 32 0.120 -12.433 -6.775 188 HB3 ALA 32 3HB ALA 32 0.512 -10.702 -6.870 189 H ASP 33 H ASP 33 -2.000 -13.555 -5.821 190 HA ASP 33 HA ASP 33 -1.305 -14.481 -3.152 191 HB3 ASP 33 2HB ASP 33 -3.701 -13.575 -3.126 192 H LYS 34 H LYS 34 -2.408 -16.882 -3.202 193 HA LYS 34 HA LYS 34 -0.788 -18.410 -5.075 194 HB3 LYS 34 2HB LYS 34 -2.727 -19.177 -2.866 195 HG3 LYS 34 2HG LYS 34 -0.336 -20.818 -3.735 196 HD3 LYS 34 2HD LYS 34 -2.951 -21.841 -2.605 197 HE3 LYS 34 2HE LYS 34 -0.040 -22.435 -1.928 198 HZ1 LYS 34 3HZ LYS 34 -0.922 -24.143 -0.569 199 HZ2 LYS 34 1HZ LYS 34 -2.448 -23.911 -1.085 200 HZ3 LYS 34 2HZ LYS 34 -1.748 -22.780 -0.125 201 H GLY 35 H GLY 35 -2.343 -17.117 -6.697 202 HA2 GLY 35 1HA GLY 35 -4.450 -18.571 -7.917 203 HA3 GLY 35 2HA GLY 35 -5.120 -17.645 -6.556 204 H GLY 36 H GLY 36 -2.329 -16.303 -8.198 205 HA2 GLY 36 1HA GLY 36 -2.305 -14.897 -10.114 206 HA3 GLY 36 2HA GLY 36 -4.061 -14.796 -10.083 207 HA PRO 37 HA PRO 37 -2.760 -10.748 -8.133 208 HB3 PRO 37 2HB PRO 37 -3.249 -9.611 -10.084 209 HG3 PRO 37 2HG PRO 37 -4.934 -10.427 -11.601 210 HD3 PRO 37 2HD PRO 37 -3.345 -12.173 -11.398 211 H ALA 38 H ALA 38 -3.811 -9.969 -6.263 212 HA ALA 38 HA ALA 38 -5.797 -11.852 -5.146 213 HB1 ALA 38 1HB ALA 38 -4.390 -9.415 -3.945 214 HB2 ALA 38 2HB ALA 38 -5.450 -10.530 -3.057 215 HB3 ALA 38 3HB ALA 38 -3.915 -11.122 -3.710 216 H LYS 39 H LYS 39 -7.930 -11.139 -4.479 217 HA LYS 39 HA LYS 39 -9.092 -8.876 -5.937 218 HB3 LYS 39 2HB LYS 39 -11.044 -9.310 -4.285 219 HG3 LYS 39 2HG LYS 39 -11.281 -11.779 -5.235 220 HD3 LYS 39 2HD LYS 39 -11.467 -9.450 -7.172 221 HE3 LYS 39 2HE LYS 39 -13.025 -12.054 -6.760 222 HZ1 LYS 39 3HZ LYS 39 -13.798 -11.619 -8.965 223 HZ2 LYS 39 1HZ LYS 39 -13.129 -10.108 -8.975 224 HZ3 LYS 39 2HZ LYS 39 -14.369 -10.539 -7.886 225 H LEU 40 H LEU 40 -9.608 -6.799 -5.153 226 HA LEU 40 HA LEU 40 -8.789 -6.123 -2.418 227 HB3 LEU 40 2HB LEU 40 -8.884 -3.797 -3.463 228 HG LEU 40 HG LEU 40 -7.087 -3.626 -4.869 229 HD11 LEU 40 1HD1 LEU 40 -6.431 -6.113 -3.243 230 HD12 LEU 40 2HD1 LEU 40 -6.400 -4.434 -2.640 231 HD13 LEU 40 3HD1 LEU 40 -5.268 -4.948 -3.896 232 HD21 LEU 40 3HD2 LEU 40 -7.959 -5.222 -6.553 233 HD22 LEU 40 1HD2 LEU 40 -7.029 -6.475 -5.683 234 HD23 LEU 40 2HD2 LEU 40 -6.220 -5.081 -6.400 235 H TYR 41 H TYR 41 -10.227 -4.780 -1.316 236 HA TYR 41 HA TYR 41 -13.057 -4.729 -2.120 237 HB3 TYR 41 2HB TYR 41 -13.508 -5.111 0.318 238 HD1 TYR 41 2HD TYR 41 -10.772 -7.373 -1.080 239 HD2 TYR 41 1HD TYR 41 -14.873 -6.956 0.144 240 HE1 TYR 41 2HE TYR 41 -11.155 -9.707 -1.662 241 HE2 TYR 41 1HE TYR 41 -15.270 -9.344 -0.339 242 HH TYR 41 HH TYR 41 -13.962 -11.410 -0.541 243 H ASN 42 H ASN 42 -14.211 -3.052 -1.161 244 HA ASN 42 HA ASN 42 -12.624 -0.580 -0.648 245 HB3 ASN 42 2HB ASN 42 -14.377 -0.582 -2.528 246 HD21 ASN 42 1HD2 ASN 42 -16.063 -2.573 -1.847 247 HD22 ASN 42 2HD2 ASN 42 -17.575 -1.872 -1.345 248 H ASP 43 H ASP 43 -13.895 0.947 0.776 249 HA ASP 43 HA ASP 43 -13.983 -0.262 3.409 250 HB3 ASP 43 2HB ASP 43 -14.596 2.599 2.807 251 H LYS 44 H LYS 44 -16.215 -0.777 1.451 252 HA LYS 44 HA LYS 44 -18.438 -0.589 3.429 253 HB3 LYS 44 2HB LYS 44 -19.936 -1.128 1.517 254 HG3 LYS 44 2HG LYS 44 -19.413 1.079 0.205 255 HD3 LYS 44 2HD LYS 44 -19.989 1.102 3.212 256 HE3 LYS 44 2HE LYS 44 -20.553 3.132 1.009 257 HZ1 LYS 44 3HZ LYS 44 -22.400 2.990 2.602 258 HZ2 LYS 44 1HZ LYS 44 -21.539 4.403 2.793 259 HZ3 LYS 44 2HZ LYS 44 -21.378 3.165 3.856 260 H GLY 45 H GLY 45 -15.890 -2.499 2.643 261 HA2 GLY 45 1HA GLY 45 -15.418 -4.651 3.177 262 HA3 GLY 45 2HA GLY 45 -17.101 -4.894 3.689 263 H GLU 46 H GLU 46 -16.967 -3.652 0.469 264 HA GLU 46 HA GLU 46 -17.680 -6.375 -0.511 265 HB3 GLU 46 2HB GLU 46 -18.862 -5.244 -2.275 266 HG3 GLU 46 2HG GLU 46 -19.693 -3.637 0.147 267 H TYR 47 H TYR 47 -16.713 -7.210 -2.369 268 HA TYR 47 HA TYR 47 -14.060 -6.325 -2.986 269 HB3 TYR 47 2HB TYR 47 -15.162 -8.707 -3.248 270 HD1 TYR 47 1HD TYR 47 -17.621 -8.452 -4.096 271 HD2 TYR 47 2HD TYR 47 -14.181 -7.953 -6.650 272 HE1 TYR 47 1HE TYR 47 -19.047 -8.823 -6.086 273 HE2 TYR 47 2HE TYR 47 -15.627 -8.325 -8.661 274 HH TYR 47 HH TYR 47 -17.882 -9.479 -9.189 275 H ILE 48 H ILE 48 -13.319 -5.350 -4.925 276 HA ILE 48 HA ILE 48 -15.337 -4.259 -6.805 277 HB ILE 48 HB ILE 48 -14.175 -2.006 -6.708 278 HG13 ILE 48 2HG1 ILE 48 -12.268 -2.923 -5.189 279 HG21 ILE 48 1HG2 ILE 48 -15.751 -2.745 -4.194 280 HG22 ILE 48 2HG2 ILE 48 -15.682 -1.167 -4.992 281 HG23 ILE 48 3HG2 ILE 48 -16.483 -2.516 -5.792 282 HD11 ILE 48 3HD1 ILE 48 -12.190 -0.718 -3.943 283 HD12 ILE 48 1HD1 ILE 48 -12.309 -0.586 -5.720 284 HD13 ILE 48 2HD1 ILE 48 -13.716 -0.289 -4.686 285 H GLY 49 H GLY 49 -12.410 -5.939 -6.527 286 HA2 GLY 49 1HA GLY 49 -12.174 -6.495 -9.152 287 HA3 GLY 49 2HA GLY 49 -11.285 -4.955 -9.042 288 H ASP 50 H ASP 50 -9.642 -6.852 -9.793 289 HA ASP 50 HA ASP 50 -8.008 -7.422 -7.396 290 HB3 ASP 50 2HB ASP 50 -8.581 -9.506 -8.200 291 H SER 51 H SER 51 -8.303 -5.349 -10.013 292 HA SER 51 HA SER 51 -5.827 -4.137 -9.182 293 HB3 SER 51 2HB SER 51 -5.420 -3.628 -11.765 294 HG SER 51 HG SER 51 -3.967 -4.606 -10.441 295 H TYR 52 H TYR 52 -6.092 -1.919 -9.211 296 HA TYR 52 HA TYR 52 -7.374 -0.509 -11.219 297 HB3 TYR 52 2HB TYR 52 -9.544 -1.005 -10.268 298 HD1 TYR 52 1HD TYR 52 -8.362 1.177 -7.494 299 HD2 TYR 52 2HD TYR 52 -9.799 -2.743 -8.589 300 HE1 TYR 52 1HE TYR 52 -8.837 0.733 -5.147 301 HE2 TYR 52 2HE TYR 52 -10.304 -3.228 -6.218 302 HH TYR 52 HH TYR 52 -9.856 -0.694 -3.682 303 H SER 53 H SER 53 -7.466 1.940 -10.400 304 HA SER 53 HA SER 53 -5.614 2.425 -8.161 305 HB3 SER 53 2HB SER 53 -4.381 3.023 -10.129 306 HG SER 53 HG SER 53 -5.201 4.143 -11.763 307 H ALA 54 H ALA 54 -6.092 4.471 -7.071 308 HA ALA 54 HA ALA 54 -8.770 5.575 -7.536 309 HB1 ALA 54 1HB ALA 54 -9.349 5.411 -5.148 310 HB2 ALA 54 2HB ALA 54 -9.047 3.772 -5.775 311 HB3 ALA 54 3HB ALA 54 -7.814 4.601 -4.800 312 H GLN 55 H GLN 55 -8.714 7.704 -7.474 313 HA GLN 55 HA GLN 55 -6.348 9.074 -6.408 314 HB3 GLN 55 2HB GLN 55 -8.968 10.236 -7.411 315 HG3 GLN 55 2HG GLN 55 -6.085 11.268 -7.369 316 HE21 GLN 55 1HE2 GLN 55 -6.221 11.949 -9.555 317 HE22 GLN 55 2HE2 GLN 55 -7.126 13.403 -9.970 318 H ILE 56 H ILE 56 -6.275 10.164 -4.513 319 HA ILE 56 HA ILE 56 -8.216 9.509 -2.437 320 HB ILE 56 HB ILE 56 -5.939 11.491 -2.240 321 HG13 ILE 56 2HG1 ILE 56 -4.389 9.856 -1.586 322 HG21 ILE 56 1HG2 ILE 56 -5.993 10.829 0.167 323 HG22 ILE 56 2HG2 ILE 56 -7.509 11.548 -0.383 324 HG23 ILE 56 3HG2 ILE 56 -7.406 9.797 -0.152 325 HD11 ILE 56 3HD1 ILE 56 -5.734 8.164 -0.421 326 HD12 ILE 56 1HD1 ILE 56 -6.573 7.757 -1.943 327 HD13 ILE 56 2HD1 ILE 56 -4.838 7.427 -1.770 328 H ARG 57 H ARG 57 -10.062 10.368 -3.200 329 HA ARG 57 HA ARG 57 -10.255 13.353 -3.089 330 HB3 ARG 57 2HB ARG 57 -12.345 13.054 -4.424 331 HG3 ARG 57 2HG ARG 57 -11.248 12.796 -6.671 332 HD3 ARG 57 2HD ARG 57 -9.199 14.373 -5.183 333 HE ARG 57 HE ARG 57 -9.754 14.600 -7.593 334 HH11 ARG 57 1HH1 ARG 57 -10.884 16.875 -5.140 335 HH12 ARG 57 2HH1 ARG 57 -11.689 17.943 -6.242 336 HH21 ARG 57 1HH2 ARG 57 -10.582 16.074 -9.110 337 HH22 ARG 57 2HH2 ARG 57 -11.334 17.558 -8.619 338 H THR 58 H THR 58 -10.034 11.896 -0.852 339 HA THR 58 HA THR 58 -12.550 12.579 0.305 340 HB THR 58 HB THR 58 -12.362 10.477 1.866 341 HG1 THR 58 1HG THR 58 -10.899 9.148 1.416 342 HG21 THR 58 3HG2 THR 58 -14.183 10.808 0.243 343 HG22 THR 58 1HG2 THR 58 -13.761 9.097 0.466 344 HG23 THR 58 2HG2 THR 58 -13.252 9.971 -1.001 345 H ALA 59 H ALA 59 -12.142 12.807 2.762 346 HA ALA 59 HA ALA 59 -9.594 14.008 3.444 347 HB1 ALA 59 1HB ALA 59 -11.628 14.614 4.646 348 HB2 ALA 59 2HB ALA 59 -11.942 12.916 5.085 349 HB3 ALA 59 3HB ALA 59 -10.560 13.767 5.778 350 H THR 60 H THR 60 -11.051 10.787 4.152 351 HA THR 60 HA THR 60 -8.323 9.742 4.672 352 HB THR 60 HB THR 60 -9.336 8.397 6.530 353 HG1 THR 60 1HG THR 60 -11.548 8.553 6.241 354 HG21 THR 60 3HG2 THR 60 -9.217 10.160 8.169 355 HG22 THR 60 1HG2 THR 60 -9.595 11.397 6.951 356 HG23 THR 60 2HG2 THR 60 -8.051 10.542 6.889 357 H MET 61 H MET 61 -8.080 7.475 4.204 358 HA MET 61 HA MET 61 -10.184 6.231 2.580 359 HB3 MET 61 2HB MET 61 -7.341 6.107 1.637 360 HG3 MET 61 2HG MET 61 -8.705 6.897 -0.459 361 HE1 MET 61 3HE MET 61 -6.908 5.421 -1.351 362 HE2 MET 61 1HE MET 61 -6.486 4.696 0.213 363 HE3 MET 61 2HE MET 61 -6.810 3.655 -1.183 364 H SER 62 H SER 62 -9.663 3.968 2.173 365 HA SER 62 HA SER 62 -7.471 2.676 3.298 366 HB3 SER 62 2HB SER 62 -8.453 2.898 5.470 367 HG SER 62 HG SER 62 -10.798 1.591 4.870 368 H CYS 63 H CYS 63 -7.493 0.347 2.729 369 HA CYS 63 HA CYS 63 -9.822 -0.588 1.241 370 HB3 CYS 63 2HB CYS 63 -8.753 -1.049 -0.784 371 HG CYS 63 HG CYS 63 -9.244 1.608 -0.166 372 H CYS 64 H CYS 64 -9.683 -3.013 1.053 373 HA CYS 64 HA CYS 64 -7.507 -4.277 2.576 374 HB3 CYS 64 2HB CYS 64 -8.919 -3.931 4.367 375 HG CYS 64 HG CYS 64 -11.613 -5.218 3.012 376 H THR 65 H THR 65 -7.714 -6.725 2.479 377 HA THR 65 HA THR 65 -8.691 -7.493 -0.221 378 HB THR 65 HB THR 65 -6.981 -9.176 -0.160 379 HG1 THR 65 1HG THR 65 -6.760 -9.895 1.803 380 HG21 THR 65 3HG2 THR 65 -5.840 -6.518 0.844 381 HG22 THR 65 1HG2 THR 65 -6.199 -6.952 -0.839 382 HG23 THR 65 2HG2 THR 65 -4.933 -7.811 0.065 383 H ASN 66 H ASN 66 -8.952 -10.150 0.095 384 HA ASN 66 HA ASN 66 -10.213 -10.632 2.733 385 HB3 ASN 66 2HB ASN 66 -11.795 -11.109 0.714 386 HD21 ASN 66 1HD2 ASN 66 -9.866 -11.894 -1.090 387 HD22 ASN 66 2HD2 ASN 66 -9.954 -13.611 -1.352 388 H GLY 67 H GLY 67 -9.789 -13.431 2.757 389 HA2 GLY 67 1HA GLY 67 -6.957 -13.637 3.307 390 HA3 GLY 67 2HA GLY 67 -8.143 -14.960 3.238 391 H ASN 68 H ASN 68 -5.796 -15.560 2.222 392 HA ASN 68 HA ASN 68 -4.484 -16.072 0.496 393 HB3 ASN 68 2HB ASN 68 -5.198 -16.651 -1.623 394 HD21 ASN 68 1HD2 ASN 68 -8.432 -15.987 -0.381 395 HD22 ASN 68 2HD2 ASN 68 -8.944 -17.667 -0.269 396 H ALA 69 H ALA 69 -3.300 -14.118 1.141 397 HA ALA 69 HA ALA 69 -2.582 -12.937 -1.326 398 HB1 ALA 69 1HB ALA 69 -4.182 -11.159 -0.651 399 HB2 ALA 69 2HB ALA 69 -3.398 -11.041 0.930 400 HB3 ALA 69 3HB ALA 69 -2.507 -10.576 -0.534 401 H PHE 70 H PHE 70 -0.477 -11.876 -1.075 402 HA PHE 70 HA PHE 70 1.043 -12.715 1.367 403 HB3 PHE 70 2HB PHE 70 2.898 -13.382 -0.169 404 HD1 PHE 70 1HD PHE 70 1.422 -14.841 1.755 405 HD2 PHE 70 2HD PHE 70 1.062 -15.021 -2.536 406 HE1 PHE 70 1HE PHE 70 0.586 -17.113 1.964 407 HE2 PHE 70 2HE PHE 70 0.289 -17.337 -2.369 408 HZ PHE 70 HZ PHE 70 -0.030 -18.416 -0.125 409 H PHE 71 H PHE 71 0.120 -10.138 -0.424 410 HA PHE 71 HA PHE 71 1.543 -8.429 1.164 411 HB3 PHE 71 2HB PHE 71 3.426 -8.756 -0.478 412 HD1 PHE 71 1HD PHE 71 2.765 -10.236 -2.434 413 HD2 PHE 71 2HD PHE 71 2.062 -5.980 -2.327 414 HE1 PHE 71 1HE PHE 71 2.492 -10.189 -4.900 415 HE2 PHE 71 2HE PHE 71 1.763 -5.961 -4.781 416 HZ PHE 71 HZ PHE 71 1.962 -8.083 -6.075 417 H MET 72 H MET 72 0.859 -6.115 0.356 418 HA MET 72 HA MET 72 -1.086 -6.055 -1.791 419 HB3 MET 72 2HB MET 72 -1.537 -4.882 0.968 420 HG3 MET 72 2HG MET 72 -3.646 -4.889 -1.169 421 HE1 MET 72 3HE MET 72 -6.136 -2.774 0.744 422 HE2 MET 72 1HE MET 72 -5.379 -2.697 -0.863 423 HE3 MET 72 2HE MET 72 -5.927 -4.257 -0.209 424 H THR 73 H THR 73 -0.739 -4.023 -2.858 425 HA THR 73 HA THR 73 1.506 -2.385 -1.788 426 HB THR 73 HB THR 73 2.197 -3.740 -3.700 427 HG1 THR 73 1HG THR 73 3.076 -2.079 -4.802 428 HG21 THR 73 3HG2 THR 73 0.169 -4.048 -4.969 429 HG22 THR 73 1HG2 THR 73 1.344 -3.209 -5.978 430 HG23 THR 73 2HG2 THR 73 0.013 -2.298 -5.258 431 H CYS 74 H CYS 74 1.342 -0.182 -2.122 432 HA CYS 74 HA CYS 74 -1.074 0.960 -3.298 433 HB3 CYS 74 2HB CYS 74 -0.306 1.868 -0.510 434 HG CYS 74 HG CYS 74 -3.255 1.167 -1.769 435 H ALA 75 H ALA 75 0.311 1.786 -4.857 436 HA ALA 75 HA ALA 75 2.566 3.535 -3.963 437 HB1 ALA 75 1HB ALA 75 3.754 2.798 -5.962 438 HB2 ALA 75 2HB ALA 75 3.407 1.404 -4.927 439 HB3 ALA 75 3HB ALA 75 2.429 1.686 -6.388 440 H GLY 76 H GLY 76 2.622 5.649 -4.975 441 HA2 GLY 76 1HA GLY 76 0.693 6.175 -7.078 442 HA3 GLY 76 2HA GLY 76 0.215 6.694 -5.450 443 H SER 77 H SER 77 0.250 8.692 -6.886 444 HA SER 77 HA SER 77 2.801 10.082 -6.439 445 HB3 SER 77 2HB SER 77 2.826 9.235 -8.724 446 HG SER 77 HG SER 77 1.248 9.980 -10.183 447 H VAL 78 H VAL 78 2.566 12.379 -6.733 448 HA VAL 78 HA VAL 78 -0.117 13.478 -6.023 449 HB VAL 78 HB VAL 78 2.638 14.284 -4.940 450 HG11 VAL 78 1HG1 VAL 78 1.350 15.776 -3.410 451 HG12 VAL 78 2HG1 VAL 78 1.195 16.246 -5.099 452 HG13 VAL 78 3HG1 VAL 78 -0.134 15.376 -4.313 453 HG21 VAL 78 3HG2 VAL 78 1.934 12.232 -3.849 454 HG22 VAL 78 1HG2 VAL 78 1.717 13.575 -2.732 455 HG23 VAL 78 2HG2 VAL 78 0.305 12.905 -3.564 456 H SER 79 H SER 79 -0.604 15.470 -7.149 457 HA SER 79 HA SER 79 1.735 16.936 -8.054 458 HB3 SER 79 2HB SER 79 1.461 16.175 -10.166 459 HG SER 79 HG SER 79 -1.335 16.295 -10.199 460 H SER 80 H SER 80 1.255 19.227 -8.472 461 HA SER 80 HA SER 80 -1.405 20.173 -8.068 462 HB3 SER 80 2HB SER 80 0.430 20.308 -5.799 463 HG SER 80 HG SER 80 -0.663 22.602 -5.571 464 H ILE 81 H ILE 81 -1.574 22.389 -8.782 465 HA ILE 81 HA ILE 81 0.616 23.407 -10.457 466 HB ILE 81 HB ILE 81 -1.075 23.644 -12.288 467 HG13 ILE 81 2HG1 ILE 81 -3.121 22.687 -12.351 468 HG21 ILE 81 1HG2 ILE 81 -0.152 20.845 -11.615 469 HG22 ILE 81 2HG2 ILE 81 -0.760 21.393 -13.188 470 HG23 ILE 81 3HG2 ILE 81 0.703 22.116 -12.514 471 HD11 ILE 81 3HD1 ILE 81 -2.622 20.349 -12.018 472 HD12 ILE 81 1HD1 ILE 81 -2.363 20.607 -10.282 473 HD13 ILE 81 2HD1 ILE 81 -3.977 20.829 -10.985 474 H SER 82 H SER 82 -0.010 24.544 -8.063 475 HA SER 82 HA SER 82 -1.695 26.916 -8.736 476 HB3 SER 82 2HB SER 82 -2.858 25.383 -7.247 477 HG SER 82 HG SER 82 -1.799 24.414 -5.607 478 H GLU 83 H GLU 83 -1.306 28.507 -6.685 479 HA GLU 83 HA GLU 83 1.342 29.581 -6.977 480 HB3 GLU 83 2HB GLU 83 -0.262 31.099 -6.405 481 HG3 GLU 83 2HG GLU 83 -1.194 31.067 -3.894 482 H ALA 84 H ALA 84 2.751 30.063 -5.272 483 HA ALA 84 HA ALA 84 3.401 27.871 -3.933 484 HB1 ALA 84 1HB ALA 84 4.317 30.717 -3.275 485 HB2 ALA 84 2HB ALA 84 5.210 29.255 -2.824 486 HB3 ALA 84 3HB ALA 84 5.020 29.696 -4.533 487 H GLY 85 H GLY 85 3.822 27.581 -1.535 488 HA2 GLY 85 1HA GLY 85 3.332 27.766 0.703 489 HA3 GLY 85 2HA GLY 85 2.329 29.177 0.373 490 H LYS 86 H LYS 86 1.256 26.604 -1.606 491 HA LYS 86 HA LYS 86 -1.044 25.895 0.096 492 HB3 LYS 86 2HB LYS 86 -1.583 24.323 -1.662 493 HG3 LYS 86 2HG LYS 86 -1.695 25.849 -3.703 494 HD3 LYS 86 2HD LYS 86 -2.871 26.866 -1.092 495 HE3 LYS 86 2HE LYS 86 -4.606 27.292 -3.262 496 HZ1 LYS 86 3HZ LYS 86 -2.709 29.132 -1.969 497 HZ2 LYS 86 1HZ LYS 86 -4.323 28.917 -1.653 498 HZ3 LYS 86 2HZ LYS 86 -3.824 29.640 -3.061 499 H ARG 87 H ARG 87 -0.690 24.519 1.682 500 HA ARG 87 HA ARG 87 1.723 22.723 1.550 501 HB3 ARG 87 2HB ARG 87 1.949 22.791 3.878 502 HG3 ARG 87 2HG ARG 87 0.793 25.562 3.301 503 HD3 ARG 87 2HD ARG 87 2.446 26.349 4.923 504 HE ARG 87 HE ARG 87 0.086 25.465 5.641 505 HH11 ARG 87 1HH1 ARG 87 3.190 24.847 7.217 506 HH12 ARG 87 2HH1 ARG 87 2.462 24.035 8.587 507 HH21 ARG 87 1HH2 ARG 87 -0.852 24.809 7.513 508 HH22 ARG 87 2HH2 ARG 87 0.032 24.153 8.847 509 H LEU 88 H LEU 88 1.442 20.442 2.514 510 HA LEU 88 HA LEU 88 -1.268 19.436 2.432 511 HB3 LEU 88 2HB LEU 88 0.901 18.168 0.731 512 HG LEU 88 HG LEU 88 -1.366 17.000 1.464 513 HD11 LEU 88 1HD1 LEU 88 -2.377 18.779 -0.787 514 HD12 LEU 88 2HD1 LEU 88 -2.855 18.895 0.909 515 HD13 LEU 88 3HD1 LEU 88 -3.267 17.449 -0.018 516 HD21 LEU 88 3HD2 LEU 88 -0.399 17.044 -1.392 517 HD22 LEU 88 1HD2 LEU 88 -1.585 15.886 -0.759 518 HD23 LEU 88 2HD2 LEU 88 0.056 15.925 -0.100 519 H HIS 89 H HIS 89 -1.213 17.242 3.421 520 HA HIS 89 HA HIS 89 1.383 16.248 4.265 521 HB3 HIS 89 2HB HIS 89 -0.837 16.664 6.280 522 HD1 HIS 89 1HD HIS 89 2.737 16.909 7.387 523 HD2 HIS 89 2HD HIS 89 -0.142 13.877 6.770 524 HE1 HIS 89 1HE HIS 89 3.586 14.826 8.574 525 H ILE 90 H ILE 90 1.290 13.958 4.439 526 HA ILE 90 HA ILE 90 -1.210 12.583 3.673 527 HB ILE 90 HB ILE 90 1.487 12.495 2.273 528 HG13 ILE 90 2HG1 ILE 90 0.416 13.068 0.303 529 HG21 ILE 90 1HG2 ILE 90 -0.645 10.332 2.208 530 HG22 ILE 90 2HG2 ILE 90 0.625 10.491 0.981 531 HG23 ILE 90 3HG2 ILE 90 1.068 10.183 2.653 532 HD11 ILE 90 3HD1 ILE 90 -2.083 13.150 0.011 533 HD12 ILE 90 1HD1 ILE 90 -1.402 11.514 0.094 534 HD13 ILE 90 2HD1 ILE 90 -2.216 12.201 1.511 535 H THR 91 H THR 91 -1.374 10.655 4.737 536 HA THR 91 HA THR 91 0.971 9.617 6.256 537 HB THR 91 HB THR 91 -1.887 9.747 7.287 538 HG1 THR 91 1HG THR 91 0.209 11.583 7.720 539 HG21 THR 91 3HG2 THR 91 -0.144 8.090 8.307 540 HG22 THR 91 1HG2 THR 91 -1.012 9.173 9.417 541 HG23 THR 91 2HG2 THR 91 0.650 9.537 8.949 542 H VAL 92 H VAL 92 1.298 7.455 5.669 543 HA VAL 92 HA VAL 92 -0.888 6.006 4.267 544 HB VAL 92 HB VAL 92 1.229 5.235 2.842 545 HG11 VAL 92 1HG1 VAL 92 -0.295 7.785 2.243 546 HG12 VAL 92 2HG1 VAL 92 0.548 6.750 1.068 547 HG13 VAL 92 3HG1 VAL 92 -0.855 6.121 1.928 548 HG21 VAL 92 3HG2 VAL 92 2.711 7.025 2.158 549 HG22 VAL 92 1HG2 VAL 92 1.924 8.180 3.240 550 HG23 VAL 92 2HG2 VAL 92 2.814 6.820 3.917 551 H ILE 93 H ILE 93 -1.219 4.077 5.247 552 HA ILE 93 HA ILE 93 0.955 2.948 6.928 553 HB ILE 93 HB ILE 93 -1.894 3.235 7.910 554 HG13 ILE 93 2HG1 ILE 93 0.237 5.380 8.004 555 HG21 ILE 93 1HG2 ILE 93 0.742 2.847 9.360 556 HG22 ILE 93 2HG2 ILE 93 -0.862 2.919 10.113 557 HG23 ILE 93 3HG2 ILE 93 -0.453 1.594 9.025 558 HD11 ILE 93 3HD1 ILE 93 -1.950 6.760 8.211 559 HD12 ILE 93 1HD1 ILE 93 -1.680 5.967 6.652 560 HD13 ILE 93 2HD1 ILE 93 -2.798 5.264 7.805 561 H GLY 94 H GLY 94 0.980 0.793 6.949 562 HA2 GLY 94 1HA GLY 94 -1.128 -0.695 5.422 563 HA3 GLY 94 2HA GLY 94 0.593 -1.029 5.302 564 H TYR 95 H TYR 95 -1.835 -2.587 6.225 565 HA TYR 95 HA TYR 95 -0.929 -3.558 8.881 566 HB3 TYR 95 2HB TYR 95 -3.448 -3.965 9.159 567 HD1 TYR 95 1HD TYR 95 -2.907 -0.417 8.001 568 HD2 TYR 95 2HD TYR 95 -3.259 -3.122 11.358 569 HE1 TYR 95 1HE TYR 95 -2.958 1.500 9.550 570 HE2 TYR 95 2HE TYR 95 -3.289 -1.203 12.904 571 HH TYR 95 HH TYR 95 -2.939 2.179 11.817 572 H ILE 96 H ILE 96 -1.407 -5.768 9.217 573 HA ILE 96 HA ILE 96 -2.482 -7.354 6.968 574 HB ILE 96 HB ILE 96 -0.077 -8.196 8.651 575 HG13 ILE 96 2HG1 ILE 96 0.563 -6.553 6.916 576 HG21 ILE 96 1HG2 ILE 96 -1.605 -10.077 8.062 577 HG22 ILE 96 2HG2 ILE 96 -1.475 -9.643 6.341 578 HG23 ILE 96 3HG2 ILE 96 -0.069 -10.224 7.271 579 HD11 ILE 96 3HD1 ILE 96 2.374 -7.730 5.968 580 HD12 ILE 96 1HD1 ILE 96 2.069 -8.547 7.501 581 HD13 ILE 96 2HD1 ILE 96 1.516 -9.270 5.974 582 H ASP 97 H ASP 97 -3.953 -8.736 7.778 583 HA ASP 97 HA ASP 97 -5.500 -9.664 9.091 584 HB3 ASP 97 2HB ASP 97 -3.054 -10.439 10.714 585 H ASP 98 H ASP 98 -3.493 -8.921 12.008 586 HA ASP 98 HA ASP 98 -5.516 -6.881 12.794 587 HB3 ASP 98 2HB ASP 98 -4.499 -9.071 14.610 588 H LYS 99 H LYS 99 -2.470 -6.862 11.896 589 HA LYS 99 HA LYS 99 -1.611 -5.041 14.076 590 HB3 LYS 99 2HB LYS 99 0.743 -5.954 12.893 591 HG3 LYS 99 2HG LYS 99 -0.465 -7.116 15.430 592 HD3 LYS 99 2HD LYS 99 1.779 -7.994 14.782 593 HE3 LYS 99 2HE LYS 99 2.381 -5.034 14.599 594 HZ1 LYS 99 3HZ LYS 99 4.719 -5.568 14.867 595 HZ2 LYS 99 1HZ LYS 99 4.320 -7.094 15.413 596 HZ3 LYS 99 2HZ LYS 99 3.863 -5.722 16.238 597 H GLU 100 H GLU 100 -0.170 -3.453 13.474 598 HA GLU 100 HA GLU 100 -0.354 -2.314 10.758 599 HB3 GLU 100 2HB GLU 100 0.872 -1.419 13.412 600 HG3 GLU 100 2HG GLU 100 0.028 0.410 11.143 601 H VAL 101 H VAL 101 1.507 -2.543 9.430 602 HA VAL 101 HA VAL 101 4.015 -3.549 10.687 603 HB VAL 101 HB VAL 101 4.278 -5.255 9.024 604 HG11 VAL 101 1HG1 VAL 101 2.619 -6.870 9.670 605 HG12 VAL 101 2HG1 VAL 101 3.049 -5.883 11.075 606 HG13 VAL 101 3HG1 VAL 101 1.507 -5.611 10.226 607 HG21 VAL 101 3HG2 VAL 101 2.631 -5.842 7.381 608 HG22 VAL 101 1HG2 VAL 101 1.517 -4.557 7.931 609 HG23 VAL 101 2HG2 VAL 101 3.066 -4.166 7.140 610 H ASN 102 H ASN 102 2.678 -1.097 8.763 611 HA ASN 102 HA ASN 102 5.359 -0.361 7.961 612 HB3 ASN 102 2HB ASN 102 3.302 -0.438 5.717 613 HD21 ASN 102 1HD2 ASN 102 5.112 -1.521 3.811 614 HD22 ASN 102 2HD2 ASN 102 6.510 -0.514 3.687 615 H ARG 103 H ARG 103 5.477 1.940 7.672 616 HA ARG 103 HA ARG 103 3.126 3.538 7.116 617 HB3 ARG 103 2HB ARG 103 4.474 3.867 9.850 618 HG3 ARG 103 2HG ARG 103 2.438 5.511 8.316 619 HD3 ARG 103 2HD ARG 103 1.274 4.920 10.387 620 HE ARG 103 HE ARG 103 3.856 5.334 11.606 621 HH11 ARG 103 1HH1 ARG 103 0.359 5.484 12.403 622 HH12 ARG 103 2HH1 ARG 103 0.631 4.871 13.990 623 HH21 ARG 103 1HH2 ARG 103 4.162 4.824 13.646 624 HH22 ARG 103 2HH2 ARG 103 2.898 4.779 14.841 625 H LEU 104 H LEU 104 3.633 5.424 6.194 626 HA LEU 104 HA LEU 104 5.992 6.701 7.197 627 HB3 LEU 104 2HB LEU 104 6.855 5.528 5.209 628 HG LEU 104 HG LEU 104 4.691 5.888 3.838 629 HD11 LEU 104 1HD1 LEU 104 4.622 8.392 3.759 630 HD12 LEU 104 2HD1 LEU 104 4.911 7.758 2.138 631 HD13 LEU 104 3HD1 LEU 104 6.251 8.422 3.073 632 HD21 LEU 104 3HD2 LEU 104 5.980 5.699 1.714 633 HD22 LEU 104 1HD2 LEU 104 6.684 4.714 2.992 634 HD23 LEU 104 2HD2 LEU 104 7.438 6.262 2.565 635 H GLU 105 H GLU 105 6.008 9.027 6.438 636 HA GLU 105 HA GLU 105 3.311 10.048 5.921 637 HB3 GLU 105 2HB GLU 105 3.904 11.864 7.531 638 HG3 GLU 105 2HG GLU 105 2.740 9.580 8.223 639 H LYS 106 H LYS 106 3.446 12.202 4.896 640 HA LYS 106 HA LYS 106 6.085 13.013 4.043 641 HB3 LYS 106 2HB LYS 106 4.174 12.641 1.732 642 HG3 LYS 106 2HG LYS 106 6.875 13.544 2.081 643 HD3 LYS 106 2HD LYS 106 7.542 11.095 1.996 644 HE3 LYS 106 2HE LYS 106 5.793 11.184 -0.336 645 HZ1 LYS 106 3HZ LYS 106 7.363 9.983 -1.827 646 HZ2 LYS 106 1HZ LYS 106 8.598 10.352 -0.816 647 HZ3 LYS 106 2HZ LYS 106 7.812 11.523 -1.652 648 H GLU 107 H GLU 107 5.946 15.104 2.866 649 HA GLU 107 HA GLU 107 3.535 16.697 3.510 650 HB3 GLU 107 2HB GLU 107 6.373 17.153 4.539 651 HG3 GLU 107 2HG GLU 107 3.827 18.771 4.730 652 H TYR 108 H TYR 108 3.348 18.391 1.991 653 HA TYR 108 HA TYR 108 5.707 18.946 0.346 654 HB3 TYR 108 2HB TYR 108 4.552 18.781 -1.706 655 HD1 TYR 108 2HD TYR 108 6.249 16.852 -1.700 656 HD2 TYR 108 1HD TYR 108 2.221 16.468 -0.269 657 HE1 TYR 108 2HE TYR 108 6.393 14.366 -1.941 658 HE2 TYR 108 1HE TYR 108 2.395 13.979 -0.437 659 HH TYR 108 HH TYR 108 3.594 12.233 -1.273 660 H ILE 109 H ILE 109 5.602 21.068 -0.697 661 HA ILE 109 HA ILE 109 3.358 22.760 -0.065 662 HB ILE 109 HB ILE 109 6.147 23.717 0.683 663 HG13 ILE 109 2HG1 ILE 109 5.449 22.050 2.343 664 HG21 ILE 109 1HG2 ILE 109 4.850 25.675 1.625 665 HG22 ILE 109 2HG2 ILE 109 4.720 25.502 -0.101 666 HG23 ILE 109 3HG2 ILE 109 3.376 24.966 0.911 667 HD11 ILE 109 3HD1 ILE 109 5.655 23.269 4.349 668 HD12 ILE 109 1HD1 ILE 109 6.652 24.099 3.136 669 HD13 ILE 109 2HD1 ILE 109 5.064 24.764 3.615 670 H THR 110 H THR 110 3.025 24.191 -1.803 671 HA THR 110 HA THR 110 4.612 23.902 -4.204 672 HB THR 110 HB THR 110 3.116 25.978 -4.799 673 HG1 THR 110 1HG THR 110 1.468 26.322 -3.612 674 HG21 THR 110 3HG2 THR 110 1.171 24.533 -5.197 675 HG22 THR 110 1HG2 THR 110 1.795 23.312 -4.069 676 HG23 THR 110 2HG2 THR 110 2.650 23.655 -5.591 677 H ASP 111 H ASP 111 6.203 25.151 -4.964 678 HA ASP 111 HA ASP 111 7.176 27.418 -3.269 679 HB3 ASP 111 2HB ASP 111 8.754 25.569 -3.412 680 H GLY 112 H GLY 112 5.509 26.842 -6.164 681 HA2 GLY 112 1HA GLY 112 4.900 28.907 -7.390 682 HA3 GLY 112 2HA GLY 112 6.642 29.205 -7.570 683 H ASN 113 H ASN 113 7.184 26.236 -7.798 684 HA ASN 113 HA ASN 113 6.729 25.988 -10.695 685 HB3 ASN 113 2HB ASN 113 8.065 23.846 -10.295 686 HD21 ASN 113 1HD2 ASN 113 9.452 26.366 -8.197 687 HD22 ASN 113 2HD2 ASN 113 10.583 27.005 -9.372 688 H THR 114 H THR 114 6.000 23.729 -11.555 689 HA THR 114 HA THR 114 3.564 22.769 -10.492 690 HB THR 114 HB THR 114 5.666 21.033 -11.847 691 HG1 THR 114 1HG THR 114 5.054 21.756 -13.775 692 HG21 THR 114 3HG2 THR 114 2.637 21.143 -12.088 693 HG22 THR 114 1HG2 THR 114 3.561 19.926 -11.204 694 HG23 THR 114 2HG2 THR 114 3.701 20.023 -12.961 695 H LEU 115 H LEU 115 3.153 21.250 -8.865 696 HA LEU 115 HA LEU 115 5.506 20.227 -7.352 697 HB3 LEU 115 2HB LEU 115 2.580 19.918 -6.567 698 HG LEU 115 HG LEU 115 5.292 19.442 -5.368 699 HD11 LEU 115 1HD1 LEU 115 3.149 20.487 -3.507 700 HD12 LEU 115 2HD1 LEU 115 4.422 21.515 -4.213 701 HD13 LEU 115 3HD1 LEU 115 4.888 20.165 -3.220 702 HD21 LEU 115 3HD2 LEU 115 4.033 17.789 -3.994 703 HD22 LEU 115 1HD2 LEU 115 3.793 17.542 -5.726 704 HD23 LEU 115 2HD2 LEU 115 2.528 18.316 -4.780 705 H ILE 116 H ILE 116 5.944 18.028 -7.384 706 HA ILE 116 HA ILE 116 4.042 16.091 -8.284 707 HB ILE 116 HB ILE 116 6.547 16.601 -9.929 708 HG13 ILE 116 2HG1 ILE 116 4.598 17.601 -10.749 709 HG21 ILE 116 1HG2 ILE 116 6.576 14.199 -9.363 710 HG22 ILE 116 2HG2 ILE 116 4.864 14.097 -9.895 711 HG23 ILE 116 3HG2 ILE 116 6.160 14.453 -11.049 712 HD11 ILE 116 3HD1 ILE 116 4.738 15.249 -12.606 713 HD12 ILE 116 1HD1 ILE 116 4.396 16.942 -12.988 714 HD13 ILE 116 2HD1 ILE 116 6.031 16.468 -12.506 715 H GLU 117 H GLU 117 4.567 14.172 -7.281 716 HA GLU 117 HA GLU 117 7.188 13.458 -6.461 717 HB3 GLU 117 2HB GLU 117 5.949 13.338 -3.922 718 HG3 GLU 117 2HG GLU 117 7.779 15.149 -3.450 719 H THR 118 H THR 118 7.025 11.271 -5.094 720 HA THR 118 HA THR 118 4.602 9.728 -5.771 721 HB THR 118 HB THR 118 5.934 7.981 -6.793 722 HG1 THR 118 1HG THR 118 8.071 9.861 -6.761 723 HG21 THR 118 3HG2 THR 118 6.259 8.905 -8.964 724 HG22 THR 118 1HG2 THR 118 6.483 10.546 -8.327 725 HG23 THR 118 2HG2 THR 118 4.895 9.757 -8.241 726 H PHE 119 H PHE 119 4.465 7.779 -4.704 727 HA PHE 119 HA PHE 119 6.306 7.265 -2.440 728 HB3 PHE 119 2HB PHE 119 4.834 8.978 -1.540 729 HD1 PHE 119 2HD PHE 119 3.247 9.839 -3.378 730 HD2 PHE 119 1HD PHE 119 2.292 6.491 -0.819 731 HE1 PHE 119 2HE PHE 119 0.823 10.144 -3.853 732 HE2 PHE 119 1HE PHE 119 -0.112 6.847 -1.270 733 HZ PHE 119 HZ PHE 119 -0.850 8.686 -2.775 734 H SER 120 H SER 120 5.550 5.276 -1.151 735 HA SER 120 HA SER 120 3.731 3.406 -2.361 736 HB3 SER 120 2HB SER 120 5.290 2.884 -4.019 737 HG SER 120 HG SER 120 7.687 2.864 -2.880 738 H VAL 121 H VAL 121 3.148 1.945 -0.986 739 HA VAL 121 HA VAL 121 4.701 1.347 1.456 740 HB VAL 121 HB VAL 121 2.012 2.728 1.183 741 HG11 VAL 121 1HG1 VAL 121 1.738 2.514 3.658 742 HG12 VAL 121 2HG1 VAL 121 1.432 1.067 2.737 743 HG13 VAL 121 3HG1 VAL 121 2.988 1.235 3.634 744 HG21 VAL 121 3HG2 VAL 121 3.839 4.277 1.451 745 HG22 VAL 121 1HG2 VAL 121 3.112 4.154 3.050 746 HG23 VAL 121 2HG2 VAL 121 4.604 3.271 2.708 747 H SER 122 H SER 122 5.039 -0.748 0.978 748 HA SER 122 HA SER 122 2.774 -2.451 0.068 749 HB3 SER 122 2HB SER 122 4.211 -3.882 -0.994 750 HG SER 122 HG SER 122 5.948 -2.696 -1.968 751 H THR 123 H THR 123 2.154 -4.236 1.417 752 HA THR 123 HA THR 123 3.496 -4.322 4.051 753 HB THR 123 HB THR 123 1.455 -5.911 4.511 754 HG1 THR 123 1HG THR 123 -0.256 -4.722 3.011 755 HG21 THR 123 3HG2 THR 123 0.627 -3.073 4.051 756 HG22 THR 123 1HG2 THR 123 1.841 -3.474 5.291 757 HG23 THR 123 2HG2 THR 123 0.231 -4.196 5.354 758 H LYS 124 H LYS 124 4.884 -5.505 1.636 759 HA LYS 124 HA LYS 124 6.014 -7.438 3.212 760 HB3 LYS 124 2HB LYS 124 5.197 -8.991 0.801 761 HG3 LYS 124 2HG LYS 124 4.583 -10.620 2.825 762 HD3 LYS 124 2HD LYS 124 7.207 -9.970 1.555 763 HE3 LYS 124 2HE LYS 124 6.916 -12.061 3.742 764 HZ1 LYS 124 3HZ LYS 124 9.374 -11.988 3.562 765 HZ2 LYS 124 1HZ LYS 124 9.259 -11.004 2.266 766 HZ3 LYS 124 2HZ LYS 124 8.700 -12.556 2.176 767 H GLU 125 H GLU 125 8.124 -7.854 2.384 768 HA GLU 125 HA GLU 125 8.890 -6.840 -0.258 769 HB3 GLU 125 2HB GLU 125 9.549 -5.124 1.357 770 HG3 GLU 125 2HG GLU 125 10.553 -7.466 3.003 771 H ILE 126 H ILE 126 10.917 -7.888 -0.949 772 HA ILE 126 HA ILE 126 11.549 -10.505 0.238 773 HB ILE 126 HB ILE 126 11.814 -10.035 -2.726 774 HG13 ILE 126 2HG1 ILE 126 9.023 -10.161 -1.484 775 HG21 ILE 126 1HG2 ILE 126 11.079 -12.425 -2.742 776 HG22 ILE 126 2HG2 ILE 126 12.415 -12.138 -1.606 777 HG23 ILE 126 3HG2 ILE 126 10.765 -12.328 -1.004 778 HD11 ILE 126 3HD1 ILE 126 9.751 -7.914 -2.467 779 HD12 ILE 126 1HD1 ILE 126 10.138 -8.748 -3.982 780 HD13 ILE 126 2HD1 ILE 126 8.466 -8.678 -3.403 Start of MODEL 2 1 H1 GLY 1 H GLY 1 15.429 -15.734 16.551 2 HA2 GLY 1 1HA GLY 1 17.098 -16.552 14.885 3 HA3 GLY 1 2HA GLY 1 15.723 -17.327 14.073 4 H ALA 2 H ALA 2 15.734 -16.056 12.132 5 HA ALA 2 HA ALA 2 14.359 -13.515 12.467 6 HB1 ALA 2 1HB ALA 2 15.864 -12.304 10.871 7 HB2 ALA 2 2HB ALA 2 16.663 -12.685 12.414 8 HB3 ALA 2 3HB ALA 2 17.016 -13.635 10.964 9 H SER 3 H SER 3 12.609 -14.529 11.571 10 HA SER 3 HA SER 3 12.294 -14.796 8.797 11 HB3 SER 3 2HB SER 3 13.092 -17.293 10.274 12 HG SER 3 HG SER 3 11.412 -17.412 7.996 13 H ASP 4 H ASP 4 10.305 -13.857 8.922 14 HA ASP 4 HA ASP 4 8.275 -15.030 10.652 15 HB3 ASP 4 2HB ASP 4 8.615 -13.334 12.089 16 H PHE 5 H PHE 5 6.437 -15.229 9.649 17 HA PHE 5 HA PHE 5 6.052 -14.217 6.903 18 HB3 PHE 5 2HB PHE 5 5.671 -16.453 6.173 19 HD1 PHE 5 2HD PHE 5 8.065 -14.812 5.704 20 HD2 PHE 5 1HD PHE 5 7.721 -18.568 7.727 21 HE1 PHE 5 2HE PHE 5 10.366 -15.392 4.986 22 HE2 PHE 5 1HE PHE 5 10.039 -19.178 6.984 23 HZ PHE 5 HZ PHE 5 11.346 -17.582 5.606 24 H GLN 6 H GLN 6 4.221 -13.019 7.578 25 HA GLN 6 HA GLN 6 1.967 -14.487 8.676 26 HB3 GLN 6 2HB GLN 6 2.449 -13.086 10.400 27 HG3 GLN 6 2HG GLN 6 3.178 -11.063 8.320 28 HE21 GLN 6 1HE2 GLN 6 1.611 -11.277 11.527 29 HE22 GLN 6 2HE2 GLN 6 1.762 -9.569 11.899 30 H THR 7 H THR 7 0.526 -14.749 7.305 31 HA THR 7 HA THR 7 -0.330 -12.614 5.394 32 HB THR 7 HB THR 7 -1.049 -14.631 3.896 33 HG1 THR 7 1HG THR 7 -0.431 -16.200 5.594 34 HG21 THR 7 3HG2 THR 7 0.705 -13.114 3.193 35 HG22 THR 7 1HG2 THR 7 1.166 -14.789 2.819 36 HG23 THR 7 2HG2 THR 7 1.906 -13.968 4.200 37 H GLY 8 H GLY 8 -2.624 -13.208 4.548 38 HA2 GLY 8 1HA GLY 8 -4.716 -14.221 5.746 39 HA3 GLY 8 2HA GLY 8 -4.178 -13.071 6.997 40 H ILE 9 H ILE 9 -5.261 -11.264 6.767 41 HA ILE 9 HA ILE 9 -6.104 -10.262 4.065 42 HB ILE 9 HB ILE 9 -7.336 -9.901 6.815 43 HG13 ILE 9 2HG1 ILE 9 -7.793 -11.858 4.849 44 HG21 ILE 9 1HG2 ILE 9 -7.978 -8.420 4.230 45 HG22 ILE 9 2HG2 ILE 9 -9.065 -8.469 5.634 46 HG23 ILE 9 3HG2 ILE 9 -7.477 -7.709 5.763 47 HD11 ILE 9 3HD1 ILE 9 -8.636 -12.055 7.119 48 HD12 ILE 9 1HD1 ILE 9 -9.815 -10.750 6.832 49 HD13 ILE 9 2HD1 ILE 9 -9.958 -12.291 5.960 50 H HIS 10 H HIS 10 -5.392 -8.232 3.462 51 HA HIS 10 HA HIS 10 -3.493 -6.857 5.308 52 HB3 HIS 10 2HB HIS 10 -2.385 -6.127 3.213 53 HD1 HIS 10 1HD HIS 10 -0.185 -7.332 3.773 54 HD2 HIS 10 2HD HIS 10 -3.342 -9.950 2.841 55 HE1 HIS 10 1HE HIS 10 0.831 -9.684 3.642 56 H LYS 11 H LYS 11 -3.494 -4.481 5.042 57 HA LYS 11 HA LYS 11 -5.777 -3.282 3.659 58 HB3 LYS 11 2HB LYS 11 -5.537 -3.267 6.712 59 HG3 LYS 11 2HG LYS 11 -7.492 -1.939 4.833 60 HD3 LYS 11 2HD LYS 11 -7.800 -1.643 7.780 61 HE3 LYS 11 2HE LYS 11 -9.900 -2.094 5.616 62 HZ1 LYS 11 3HZ LYS 11 -10.136 -0.347 7.971 63 HZ2 LYS 11 1HZ LYS 11 -10.393 -1.961 8.091 64 HZ3 LYS 11 2HZ LYS 11 -11.341 -1.091 7.103 65 H ILE 12 H ILE 12 -5.479 -1.041 3.359 66 HA ILE 12 HA ILE 12 -3.117 0.272 4.586 67 HB ILE 12 HB ILE 12 -3.822 0.330 1.643 68 HG13 ILE 12 2HG1 ILE 12 -2.044 -0.853 1.057 69 HG21 ILE 12 1HG2 ILE 12 -1.841 2.045 3.193 70 HG22 ILE 12 2HG2 ILE 12 -1.906 1.956 1.423 71 HG23 ILE 12 3HG2 ILE 12 -3.270 2.590 2.313 72 HD11 ILE 12 3HD1 ILE 12 -0.225 0.507 1.903 73 HD12 ILE 12 1HD1 ILE 12 -0.492 -0.118 3.550 74 HD13 ILE 12 2HD1 ILE 12 0.069 -1.183 2.235 75 H VAL 13 H VAL 13 -3.810 2.125 5.425 76 HA VAL 13 HA VAL 13 -6.447 3.361 4.651 77 HB VAL 13 HB VAL 13 -4.668 3.642 7.140 78 HG11 VAL 13 1HG1 VAL 13 -7.391 4.941 6.642 79 HG12 VAL 13 2HG1 VAL 13 -6.457 5.021 8.132 80 HG13 VAL 13 3HG1 VAL 13 -5.831 5.793 6.676 81 HG21 VAL 13 3HG2 VAL 13 -5.998 1.515 7.139 82 HG22 VAL 13 1HG2 VAL 13 -6.437 2.628 8.424 83 HG23 VAL 13 2HG2 VAL 13 -7.490 2.502 7.013 84 H ILE 14 H ILE 14 -6.280 5.627 4.092 85 HA ILE 14 HA ILE 14 -3.505 6.773 4.106 86 HB ILE 14 HB ILE 14 -5.461 6.749 1.790 87 HG13 ILE 14 2HG1 ILE 14 -3.044 5.319 2.226 88 HG21 ILE 14 1HG2 ILE 14 -3.215 8.748 2.138 89 HG22 ILE 14 2HG2 ILE 14 -4.038 8.413 0.603 90 HG23 ILE 14 3HG2 ILE 14 -4.952 9.081 1.950 91 HD11 ILE 14 3HD1 ILE 14 -4.762 4.459 0.804 92 HD12 ILE 14 1HD1 ILE 14 -4.651 5.861 -0.270 93 HD13 ILE 14 2HD1 ILE 14 -3.297 4.739 -0.179 94 H GLN 15 H GLN 15 -3.476 9.036 4.509 95 HA GLN 15 HA GLN 15 -6.084 10.367 4.554 96 HB3 GLN 15 2HB GLN 15 -5.405 11.607 6.630 97 HG3 GLN 15 2HG GLN 15 -6.543 9.199 6.760 98 HE21 GLN 15 1HE2 GLN 15 -6.073 8.204 9.489 99 HE22 GLN 15 2HE2 GLN 15 -4.725 7.079 9.306 100 H GLN 16 H GLN 16 -5.812 12.742 4.592 101 HA GLN 16 HA GLN 16 -3.178 13.754 3.899 102 HB3 GLN 16 2HB GLN 16 -4.284 13.167 1.669 103 HG3 GLN 16 2HG GLN 16 -5.914 15.652 2.273 104 HE21 GLN 16 1HE2 GLN 16 -7.747 13.653 0.518 105 HE22 GLN 16 2HE2 GLN 16 -7.263 14.050 -1.137 106 H SER 17 H SER 17 -3.018 16.047 4.266 107 HA SER 17 HA SER 17 -5.365 17.485 5.264 108 HB3 SER 17 2HB SER 17 -4.579 17.757 7.401 109 HG SER 17 HG SER 17 -2.986 16.139 8.085 110 H GLY 18 H GLY 18 -4.838 19.914 5.303 111 HA2 GLY 18 1HA GLY 18 -3.228 21.634 5.007 112 HA3 GLY 18 2HA GLY 18 -2.411 20.673 3.767 113 H ASP 19 H ASP 19 -2.813 21.297 1.728 114 HA ASP 19 HA ASP 19 -5.366 22.647 1.022 115 HB3 ASP 19 2HB ASP 19 -2.748 22.278 -0.476 116 H THR 20 H THR 20 -6.913 21.152 0.776 117 HA THR 20 HA THR 20 -6.221 18.650 -0.685 118 HB THR 20 HB THR 20 -7.759 17.477 0.654 119 HG1 THR 20 1HG THR 20 -9.307 19.105 0.889 120 HG21 THR 20 3HG2 THR 20 -6.776 17.651 2.877 121 HG22 THR 20 1HG2 THR 20 -6.203 19.293 2.562 122 HG23 THR 20 2HG2 THR 20 -5.504 17.929 1.671 123 H ASP 21 H ASP 21 -7.281 21.413 -1.681 124 HA ASP 21 HA ASP 21 -9.644 20.321 -3.148 125 HB3 ASP 21 2HB ASP 21 -9.073 23.187 -3.476 126 H SER 22 H SER 22 -6.303 21.058 -3.373 127 HA SER 22 HA SER 22 -6.389 21.275 -6.322 128 HB3 SER 22 2HB SER 22 -4.268 22.821 -5.062 129 HG SER 22 HG SER 22 -5.594 23.060 -7.164 130 H PHE 23 H PHE 23 -5.676 18.908 -4.581 131 HA PHE 23 HA PHE 23 -3.177 18.369 -6.084 132 HB3 PHE 23 2HB PHE 23 -3.407 18.169 -3.128 133 HD1 PHE 23 2HD PHE 23 -1.865 16.236 -5.932 134 HD2 PHE 23 1HD PHE 23 -2.374 16.602 -1.701 135 HE1 PHE 23 2HE PHE 23 -1.187 13.967 -5.676 136 HE2 PHE 23 1HE PHE 23 -1.221 14.374 -1.425 137 HZ PHE 23 HZ PHE 23 -0.673 13.047 -3.386 138 H GLU 24 H GLU 24 -3.381 16.853 -7.300 139 HA GLU 24 HA GLU 24 -5.607 14.890 -7.270 140 HB3 GLU 24 2HB GLU 24 -4.240 14.262 -9.499 141 HG3 GLU 24 2HG GLU 24 -6.384 14.995 -9.848 142 H VAL 25 H VAL 25 -4.774 13.974 -5.289 143 HA VAL 25 HA VAL 25 -2.443 12.287 -5.295 144 HB VAL 25 HB VAL 25 -4.917 11.692 -3.681 145 HG11 VAL 25 1HG1 VAL 25 -1.964 11.442 -3.061 146 HG12 VAL 25 2HG1 VAL 25 -3.264 11.104 -1.917 147 HG13 VAL 25 3HG1 VAL 25 -3.108 10.158 -3.404 148 HG21 VAL 25 3HG2 VAL 25 -3.653 13.417 -1.945 149 HG22 VAL 25 1HG2 VAL 25 -3.695 14.291 -3.478 150 HG23 VAL 25 2HG2 VAL 25 -5.180 13.652 -2.805 151 H SER 26 H SER 26 -2.310 10.709 -6.897 152 HA SER 26 HA SER 26 -4.686 8.876 -7.186 153 HB3 SER 26 2HB SER 26 -2.158 9.292 -8.853 154 HG SER 26 HG SER 26 -2.420 7.208 -9.096 155 H VAL 27 H VAL 27 -4.399 6.874 -6.493 156 HA VAL 27 HA VAL 27 -1.691 5.875 -5.859 157 HB VAL 27 HB VAL 27 -2.528 4.401 -4.093 158 HG11 VAL 27 1HG1 VAL 27 -1.485 6.546 -3.519 159 HG12 VAL 27 2HG1 VAL 27 -3.075 7.322 -3.450 160 HG13 VAL 27 3HG1 VAL 27 -2.659 6.042 -2.297 161 HG21 VAL 27 3HG2 VAL 27 -4.681 4.760 -2.983 162 HG22 VAL 27 1HG2 VAL 27 -5.132 5.974 -4.195 163 HG23 VAL 27 2HG2 VAL 27 -4.931 4.283 -4.661 164 H SER 28 H SER 28 -1.387 3.662 -6.457 165 HA SER 28 HA SER 28 -3.540 2.409 -8.082 166 HB3 SER 28 2HB SER 28 -0.561 1.895 -7.882 167 HG SER 28 HG SER 28 -2.357 0.654 -9.703 168 H ILE 29 H ILE 29 -4.197 0.324 -7.314 169 HA ILE 29 HA ILE 29 -3.124 -0.541 -4.669 170 HB ILE 29 HB ILE 29 -6.019 -0.173 -5.542 171 HG13 ILE 29 2HG1 ILE 29 -4.688 1.779 -4.403 172 HG21 ILE 29 1HG2 ILE 29 -5.613 -2.406 -4.342 173 HG22 ILE 29 2HG2 ILE 29 -5.219 -1.464 -2.912 174 HG23 ILE 29 3HG2 ILE 29 -6.833 -1.341 -3.660 175 HD11 ILE 29 3HD1 ILE 29 -6.405 2.356 -2.751 176 HD12 ILE 29 1HD1 ILE 29 -7.151 1.827 -4.267 177 HD13 ILE 29 2HD1 ILE 29 -7.094 0.733 -2.882 178 H GLY 30 H GLY 30 -2.910 -2.787 -4.524 179 HA2 GLY 30 1HA GLY 30 -4.151 -4.644 -6.281 180 HA3 GLY 30 2HA GLY 30 -2.492 -4.288 -6.790 181 H GLY 31 H GLY 31 -2.908 -6.778 -6.102 182 HA2 GLY 31 1HA GLY 31 -0.891 -7.229 -4.163 183 HA3 GLY 31 2HA GLY 31 -2.474 -7.760 -3.542 184 H ALA 32 H ALA 32 -0.688 -9.833 -3.996 185 HA ALA 32 HA ALA 32 -1.975 -11.195 -6.270 186 HB1 ALA 32 1HB ALA 32 0.322 -10.269 -7.028 187 HB2 ALA 32 2HB ALA 32 1.007 -11.407 -5.829 188 HB3 ALA 32 3HB ALA 32 0.068 -12.021 -7.190 189 H ASP 33 H ASP 33 -1.774 -13.457 -6.185 190 HA ASP 33 HA ASP 33 -1.198 -14.690 -3.546 191 HB3 ASP 33 2HB ASP 33 -3.632 -15.257 -5.236 192 H LYS 34 H LYS 34 -1.779 -17.190 -4.008 193 HA LYS 34 HA LYS 34 0.257 -18.145 -5.686 194 HB3 LYS 34 2HB LYS 34 -2.035 -19.860 -4.624 195 HG3 LYS 34 2HG LYS 34 0.842 -20.267 -5.417 196 HD3 LYS 34 2HD LYS 34 0.477 -21.165 -2.994 197 HE3 LYS 34 2HE LYS 34 -1.370 -22.832 -4.658 198 HZ1 LYS 34 3HZ LYS 34 0.520 -24.112 -2.784 199 HZ2 LYS 34 1HZ LYS 34 0.411 -24.362 -4.401 200 HZ3 LYS 34 2HZ LYS 34 -0.817 -24.827 -3.417 201 H GLY 35 H GLY 35 -2.852 -17.212 -6.685 202 HA2 GLY 35 1HA GLY 35 -2.514 -18.611 -9.297 203 HA3 GLY 35 2HA GLY 35 -4.048 -18.532 -8.434 204 H GLY 36 H GLY 36 -1.723 -15.807 -8.674 205 HA2 GLY 36 1HA GLY 36 -1.787 -14.272 -10.525 206 HA3 GLY 36 2HA GLY 36 -3.531 -14.505 -10.674 207 HA PRO 37 HA PRO 37 -2.761 -10.695 -8.128 208 HB3 PRO 37 2HB PRO 37 -3.155 -9.358 -9.963 209 HG3 PRO 37 2HG PRO 37 -4.723 -9.999 -11.664 210 HD3 PRO 37 2HD PRO 37 -3.121 -11.731 -11.514 211 H ALA 38 H ALA 38 -4.083 -9.801 -6.440 212 HA ALA 38 HA ALA 38 -6.046 -11.733 -5.332 213 HB1 ALA 38 1HB ALA 38 -5.736 -10.401 -3.277 214 HB2 ALA 38 2HB ALA 38 -4.171 -10.981 -3.913 215 HB3 ALA 38 3HB ALA 38 -4.666 -9.281 -4.141 216 H LYS 39 H LYS 39 -8.242 -11.073 -4.849 217 HA LYS 39 HA LYS 39 -9.223 -8.730 -6.233 218 HB3 LYS 39 2HB LYS 39 -11.365 -9.117 -5.191 219 HG3 LYS 39 2HG LYS 39 -10.156 -11.752 -6.136 220 HD3 LYS 39 2HD LYS 39 -12.934 -11.279 -6.812 221 HE3 LYS 39 2HE LYS 39 -13.212 -13.250 -5.119 222 HZ1 LYS 39 3HZ LYS 39 -12.861 -13.531 -7.577 223 HZ2 LYS 39 1HZ LYS 39 -12.412 -14.796 -6.627 224 HZ3 LYS 39 2HZ LYS 39 -11.264 -13.815 -7.244 225 H LEU 40 H LEU 40 -9.702 -6.718 -5.410 226 HA LEU 40 HA LEU 40 -8.913 -6.098 -2.607 227 HB3 LEU 40 2HB LEU 40 -8.857 -3.817 -3.308 228 HG LEU 40 HG LEU 40 -7.270 -3.507 -4.973 229 HD11 LEU 40 1HD1 LEU 40 -6.542 -6.162 -3.690 230 HD12 LEU 40 2HD1 LEU 40 -6.476 -4.587 -2.855 231 HD13 LEU 40 3HD1 LEU 40 -5.418 -4.909 -4.237 232 HD21 LEU 40 3HD2 LEU 40 -8.230 -4.914 -6.753 233 HD22 LEU 40 1HD2 LEU 40 -7.384 -6.290 -6.001 234 HD23 LEU 40 2HD2 LEU 40 -6.462 -4.924 -6.625 235 H TYR 41 H TYR 41 -10.405 -4.715 -1.419 236 HA TYR 41 HA TYR 41 -13.238 -4.901 -2.269 237 HB3 TYR 41 2HB TYR 41 -13.752 -5.459 0.106 238 HD1 TYR 41 1HD TYR 41 -10.711 -7.391 -1.030 239 HD2 TYR 41 2HD TYR 41 -14.994 -7.363 -0.618 240 HE1 TYR 41 1HE TYR 41 -10.797 -9.695 -1.865 241 HE2 TYR 41 2HE TYR 41 -15.096 -9.708 -1.325 242 HH TYR 41 HH TYR 41 -13.818 -11.599 -1.808 243 H ASN 42 H ASN 42 -14.582 -3.385 -1.453 244 HA ASN 42 HA ASN 42 -13.361 -0.749 -0.990 245 HB3 ASN 42 2HB ASN 42 -15.120 -0.867 -2.682 246 HD21 ASN 42 1HD2 ASN 42 -17.298 -1.262 -3.383 247 HD22 ASN 42 2HD2 ASN 42 -18.370 -2.286 -2.444 248 H ASP 43 H ASP 43 -14.932 0.675 0.496 249 HA ASP 43 HA ASP 43 -14.488 -0.265 3.182 250 HB3 ASP 43 2HB ASP 43 -14.255 2.115 2.297 251 H LYS 44 H LYS 44 -17.002 -1.199 1.211 252 HA LYS 44 HA LYS 44 -18.804 -1.576 3.572 253 HB3 LYS 44 2HB LYS 44 -20.435 -2.379 1.827 254 HG3 LYS 44 2HG LYS 44 -20.549 0.025 0.685 255 HD3 LYS 44 2HD LYS 44 -20.886 -0.139 3.712 256 HE3 LYS 44 2HE LYS 44 -22.426 1.352 1.524 257 HZ1 LYS 44 3HZ LYS 44 -23.346 2.553 3.401 258 HZ2 LYS 44 1HZ LYS 44 -22.590 1.605 4.466 259 HZ3 LYS 44 2HZ LYS 44 -23.793 0.986 3.504 260 H GLY 45 H GLY 45 -16.292 -3.048 1.789 261 HA2 GLY 45 1HA GLY 45 -15.339 -5.103 2.136 262 HA3 GLY 45 2HA GLY 45 -16.748 -5.635 3.068 263 H GLU 46 H GLU 46 -17.389 -4.204 -0.222 264 HA GLU 46 HA GLU 46 -18.203 -6.751 -1.250 265 HB3 GLU 46 2HB GLU 46 -18.876 -3.795 -1.395 266 HG3 GLU 46 2HG GLU 46 -18.125 -4.336 -3.565 267 H TYR 47 H TYR 47 -17.213 -7.236 -3.302 268 HA TYR 47 HA TYR 47 -14.368 -6.443 -3.359 269 HB3 TYR 47 2HB TYR 47 -15.471 -8.858 -3.708 270 HD1 TYR 47 1HD TYR 47 -17.683 -8.384 -5.192 271 HD2 TYR 47 2HD TYR 47 -13.657 -8.514 -6.717 272 HE1 TYR 47 1HE TYR 47 -18.568 -8.924 -7.426 273 HE2 TYR 47 2HE TYR 47 -14.537 -9.076 -8.994 274 HH TYR 47 HH TYR 47 -18.061 -9.359 -9.630 275 H ILE 48 H ILE 48 -13.375 -5.590 -5.292 276 HA ILE 48 HA ILE 48 -15.190 -4.319 -7.268 277 HB ILE 48 HB ILE 48 -14.191 -2.088 -6.909 278 HG13 ILE 48 2HG1 ILE 48 -12.259 -3.050 -5.385 279 HG21 ILE 48 1HG2 ILE 48 -16.451 -2.774 -6.136 280 HG22 ILE 48 2HG2 ILE 48 -15.786 -3.084 -4.515 281 HG23 ILE 48 3HG2 ILE 48 -15.748 -1.445 -5.208 282 HD11 ILE 48 3HD1 ILE 48 -12.206 -0.836 -4.145 283 HD12 ILE 48 1HD1 ILE 48 -12.363 -0.701 -5.918 284 HD13 ILE 48 2HD1 ILE 48 -13.768 -0.448 -4.853 285 H GLY 49 H GLY 49 -12.616 -6.230 -7.138 286 HA2 GLY 49 1HA GLY 49 -12.075 -6.565 -9.614 287 HA3 GLY 49 2HA GLY 49 -11.288 -4.974 -9.497 288 H ASP 50 H ASP 50 -9.437 -6.591 -10.217 289 HA ASP 50 HA ASP 50 -7.944 -7.247 -7.767 290 HB3 ASP 50 2HB ASP 50 -8.544 -9.343 -8.448 291 H SER 51 H SER 51 -8.121 -5.126 -10.219 292 HA SER 51 HA SER 51 -5.588 -4.034 -9.396 293 HB3 SER 51 2HB SER 51 -5.097 -3.386 -11.863 294 HG SER 51 HG SER 51 -3.892 -4.894 -10.630 295 H TYR 52 H TYR 52 -5.883 -1.750 -9.256 296 HA TYR 52 HA TYR 52 -7.199 -0.342 -11.281 297 HB3 TYR 52 2HB TYR 52 -9.367 -0.760 -10.364 298 HD1 TYR 52 1HD TYR 52 -8.100 1.174 -7.501 299 HD2 TYR 52 2HD TYR 52 -9.751 -2.586 -8.792 300 HE1 TYR 52 1HE TYR 52 -8.653 0.699 -5.233 301 HE2 TYR 52 2HE TYR 52 -10.298 -3.151 -6.476 302 HH TYR 52 HH TYR 52 -9.761 -0.783 -3.786 303 H SER 53 H SER 53 -7.447 2.022 -10.525 304 HA SER 53 HA SER 53 -5.462 2.861 -8.558 305 HB3 SER 53 2HB SER 53 -4.842 4.791 -9.767 306 HG SER 53 HG SER 53 -3.504 3.785 -11.173 307 H ALA 54 H ALA 54 -6.160 4.565 -7.345 308 HA ALA 54 HA ALA 54 -8.916 5.607 -7.715 309 HB1 ALA 54 1HB ALA 54 -9.292 5.265 -5.300 310 HB2 ALA 54 2HB ALA 54 -8.949 3.695 -6.074 311 HB3 ALA 54 3HB ALA 54 -7.693 4.523 -5.136 312 H GLN 55 H GLN 55 -9.215 7.622 -6.697 313 HA GLN 55 HA GLN 55 -6.773 9.183 -6.266 314 HB3 GLN 55 2HB GLN 55 -9.604 10.132 -6.855 315 HG3 GLN 55 2HG GLN 55 -7.005 11.416 -7.797 316 HE21 GLN 55 1HE2 GLN 55 -7.349 13.831 -8.271 317 HE22 GLN 55 2HE2 GLN 55 -8.928 14.340 -8.759 318 H ILE 56 H ILE 56 -6.461 10.217 -4.403 319 HA ILE 56 HA ILE 56 -8.350 9.599 -2.180 320 HB ILE 56 HB ILE 56 -5.836 11.241 -1.893 321 HG13 ILE 56 2HG1 ILE 56 -4.574 9.266 -1.482 322 HG21 ILE 56 1HG2 ILE 56 -5.936 10.474 0.424 323 HG22 ILE 56 2HG2 ILE 56 -7.341 11.424 -0.032 324 HG23 ILE 56 3HG2 ILE 56 -7.495 9.680 0.098 325 HD11 ILE 56 3HD1 ILE 56 -7.159 7.699 -1.839 326 HD12 ILE 56 1HD1 ILE 56 -5.555 6.991 -1.800 327 HD13 ILE 56 2HD1 ILE 56 -6.191 7.815 -0.342 328 H ARG 57 H ARG 57 -10.163 10.686 -2.788 329 HA ARG 57 HA ARG 57 -10.064 13.668 -2.901 330 HB3 ARG 57 2HB ARG 57 -12.498 13.274 -3.667 331 HG3 ARG 57 2HG ARG 57 -11.865 12.619 -5.987 332 HD3 ARG 57 2HD ARG 57 -9.604 14.316 -5.678 333 HE ARG 57 HE ARG 57 -10.981 15.118 -7.305 334 HH11 ARG 57 1HH1 ARG 57 -12.939 15.181 -4.223 335 HH12 ARG 57 2HH1 ARG 57 -14.096 16.208 -4.954 336 HH21 ARG 57 1HH2 ARG 57 -12.610 16.477 -8.089 337 HH22 ARG 57 2HH2 ARG 57 -13.952 16.914 -7.067 338 H THR 58 H THR 58 -9.563 12.357 -0.496 339 HA THR 58 HA THR 58 -11.936 13.101 1.052 340 HB THR 58 HB THR 58 -11.461 10.856 2.340 341 HG1 THR 58 1HG THR 58 -10.806 9.891 -0.232 342 HG21 THR 58 3HG2 THR 58 -13.566 11.422 1.203 343 HG22 THR 58 1HG2 THR 58 -13.172 9.703 1.146 344 HG23 THR 58 2HG2 THR 58 -12.934 10.737 -0.299 345 H ALA 59 H ALA 59 -11.494 13.305 3.349 346 HA ALA 59 HA ALA 59 -8.806 14.100 4.080 347 HB1 ALA 59 1HB ALA 59 -9.759 14.303 6.331 348 HB2 ALA 59 2HB ALA 59 -10.832 15.053 5.138 349 HB3 ALA 59 3HB ALA 59 -11.238 13.459 5.816 350 H THR 60 H THR 60 -10.702 11.059 4.425 351 HA THR 60 HA THR 60 -8.256 9.603 5.186 352 HB THR 60 HB THR 60 -9.813 8.164 6.669 353 HG1 THR 60 1HG THR 60 -11.285 10.585 6.794 354 HG21 THR 60 3HG2 THR 60 -8.680 10.821 7.488 355 HG22 THR 60 1HG2 THR 60 -8.284 9.157 8.000 356 HG23 THR 60 2HG2 THR 60 -9.704 9.936 8.633 357 H MET 61 H MET 61 -8.156 7.584 4.190 358 HA MET 61 HA MET 61 -10.404 6.626 2.549 359 HB3 MET 61 2HB MET 61 -7.607 6.280 1.538 360 HG3 MET 61 2HG MET 61 -8.845 7.301 -0.488 361 HE1 MET 61 3HE MET 61 -7.509 5.296 -1.725 362 HE2 MET 61 1HE MET 61 -7.062 5.024 -0.030 363 HE3 MET 61 2HE MET 61 -7.576 3.657 -1.047 364 H SER 62 H SER 62 -9.916 4.238 1.907 365 HA SER 62 HA SER 62 -8.140 2.733 3.517 366 HB3 SER 62 2HB SER 62 -9.774 3.480 5.248 367 HG SER 62 HG SER 62 -11.701 1.805 4.122 368 H CYS 63 H CYS 63 -7.780 0.779 2.422 369 HA CYS 63 HA CYS 63 -10.003 -0.514 1.016 370 HB3 CYS 63 2HB CYS 63 -8.532 -1.087 -0.904 371 HG CYS 63 HG CYS 63 -10.437 0.891 -0.770 372 H CYS 64 H CYS 64 -9.623 -2.833 0.810 373 HA CYS 64 HA CYS 64 -7.279 -3.967 2.168 374 HB3 CYS 64 2HB CYS 64 -8.530 -3.733 4.080 375 HG CYS 64 HG CYS 64 -10.692 -2.668 2.931 376 H THR 65 H THR 65 -7.704 -6.506 2.273 377 HA THR 65 HA THR 65 -8.626 -7.341 -0.422 378 HB THR 65 HB THR 65 -6.654 -8.866 -0.375 379 HG1 THR 65 1HG THR 65 -4.991 -8.325 1.050 380 HG21 THR 65 3HG2 THR 65 -5.875 -5.944 -0.030 381 HG22 THR 65 1HG2 THR 65 -6.717 -6.568 -1.461 382 HG23 THR 65 2HG2 THR 65 -5.092 -7.155 -1.068 383 H ASN 66 H ASN 66 -8.493 -9.920 -0.365 384 HA ASN 66 HA ASN 66 -10.013 -10.953 1.958 385 HB3 ASN 66 2HB ASN 66 -11.165 -11.434 -0.112 386 HD21 ASN 66 1HD2 ASN 66 -11.238 -12.306 -2.329 387 HD22 ASN 66 2HD2 ASN 66 -9.698 -12.564 -3.196 388 H GLY 67 H GLY 67 -9.213 -13.440 2.169 389 HA2 GLY 67 1HA GLY 67 -6.380 -13.373 2.849 390 HA3 GLY 67 2HA GLY 67 -7.537 -14.671 3.152 391 H ASN 68 H ASN 68 -7.509 -13.569 -0.148 392 HA ASN 68 HA ASN 68 -5.894 -15.940 -0.975 393 HB3 ASN 68 2HB ASN 68 -6.997 -15.530 -3.221 394 HD21 ASN 68 1HD2 ASN 68 -6.930 -17.782 -1.690 395 HD22 ASN 68 2HD2 ASN 68 -8.578 -18.360 -1.483 396 H ALA 69 H ALA 69 -4.123 -14.384 -0.120 397 HA ALA 69 HA ALA 69 -2.834 -13.185 -2.322 398 HB1 ALA 69 1HB ALA 69 -3.726 -11.316 -0.050 399 HB2 ALA 69 2HB ALA 69 -2.844 -10.839 -1.535 400 HB3 ALA 69 3HB ALA 69 -4.549 -11.319 -1.601 401 H PHE 70 H PHE 70 -0.876 -12.130 -1.624 402 HA PHE 70 HA PHE 70 0.261 -13.131 0.938 403 HB3 PHE 70 2HB PHE 70 2.329 -13.484 -0.452 404 HD1 PHE 70 1HD PHE 70 0.249 -15.207 0.970 405 HD2 PHE 70 2HD PHE 70 1.277 -14.971 -3.191 406 HE1 PHE 70 1HE PHE 70 -0.223 -17.569 0.766 407 HE2 PHE 70 2HE PHE 70 0.814 -17.401 -3.412 408 HZ PHE 70 HZ PHE 70 0.047 -18.721 -1.452 409 H PHE 71 H PHE 71 -0.344 -10.323 -0.954 410 HA PHE 71 HA PHE 71 0.859 -8.750 1.055 411 HB3 PHE 71 2HB PHE 71 2.891 -9.182 -0.373 412 HD1 PHE 71 2HD PHE 71 2.361 -10.438 -2.502 413 HD2 PHE 71 1HD PHE 71 2.082 -6.135 -2.170 414 HE1 PHE 71 2HE PHE 71 2.550 -10.217 -4.952 415 HE2 PHE 71 1HE PHE 71 2.225 -5.958 -4.647 416 HZ PHE 71 HZ PHE 71 2.429 -7.993 -6.025 417 H MET 72 H MET 72 0.533 -6.315 0.362 418 HA MET 72 HA MET 72 -1.465 -5.887 -1.710 419 HB3 MET 72 2HB MET 72 -1.608 -4.638 1.074 420 HG3 MET 72 2HG MET 72 -3.719 -4.871 -1.098 421 HE1 MET 72 3HE MET 72 -6.415 -3.809 -0.370 422 HE2 MET 72 1HE MET 72 -6.073 -2.171 0.237 423 HE3 MET 72 2HE MET 72 -5.185 -2.807 -1.157 424 H THR 73 H THR 73 -1.175 -3.645 -2.541 425 HA THR 73 HA THR 73 1.426 -2.404 -1.820 426 HB THR 73 HB THR 73 1.511 -1.657 -4.078 427 HG1 THR 73 1HG THR 73 -0.150 -1.996 -5.555 428 HG21 THR 73 3HG2 THR 73 2.040 -3.990 -3.677 429 HG22 THR 73 1HG2 THR 73 1.569 -3.606 -5.343 430 HG23 THR 73 2HG2 THR 73 0.409 -4.431 -4.292 431 H CYS 74 H CYS 74 1.336 0.013 -2.400 432 HA CYS 74 HA CYS 74 -1.215 0.852 -3.099 433 HB3 CYS 74 2HB CYS 74 -0.263 2.398 -0.623 434 HG CYS 74 HG CYS 74 -2.035 3.409 -2.406 435 H ALA 75 H ALA 75 1.294 0.956 -4.377 436 HA ALA 75 HA ALA 75 2.833 3.332 -3.926 437 HB1 ALA 75 1HB ALA 75 3.887 2.783 -6.061 438 HB2 ALA 75 2HB ALA 75 3.740 1.326 -5.055 439 HB3 ALA 75 3HB ALA 75 2.615 1.588 -6.418 440 H GLY 76 H GLY 76 2.706 5.511 -4.838 441 HA2 GLY 76 1HA GLY 76 0.472 6.027 -6.647 442 HA3 GLY 76 2HA GLY 76 0.335 6.599 -4.968 443 H SER 77 H SER 77 0.281 8.566 -6.695 444 HA SER 77 HA SER 77 2.962 9.741 -6.528 445 HB3 SER 77 2HB SER 77 2.987 8.754 -8.688 446 HG SER 77 HG SER 77 1.513 9.511 -10.274 447 H VAL 78 H VAL 78 2.989 12.032 -6.902 448 HA VAL 78 HA VAL 78 0.547 13.258 -5.861 449 HB VAL 78 HB VAL 78 3.426 13.833 -5.153 450 HG11 VAL 78 1HG1 VAL 78 2.152 15.965 -5.364 451 HG12 VAL 78 2HG1 VAL 78 0.992 15.384 -4.179 452 HG13 VAL 78 3HG1 VAL 78 2.677 15.625 -3.706 453 HG21 VAL 78 3HG2 VAL 78 1.231 12.334 -3.877 454 HG22 VAL 78 1HG2 VAL 78 2.975 12.279 -3.583 455 HG23 VAL 78 2HG2 VAL 78 1.959 13.529 -2.807 456 H SER 79 H SER 79 -0.211 15.034 -7.082 457 HA SER 79 HA SER 79 1.846 16.563 -8.498 458 HB3 SER 79 2HB SER 79 1.472 15.622 -10.481 459 HG SER 79 HG SER 79 -0.959 14.519 -9.523 460 H SER 80 H SER 80 1.410 18.695 -8.229 461 HA SER 80 HA SER 80 -1.377 19.523 -7.762 462 HB3 SER 80 2HB SER 80 1.026 20.499 -6.177 463 HG SER 80 HG SER 80 -1.046 21.692 -5.315 464 H ILE 81 H ILE 81 -1.912 21.259 -8.818 465 HA ILE 81 HA ILE 81 0.000 22.595 -10.662 466 HB ILE 81 HB ILE 81 -1.861 22.805 -12.247 467 HG13 ILE 81 2HG1 ILE 81 -3.894 22.791 -11.344 468 HG21 ILE 81 1HG2 ILE 81 -1.247 19.935 -11.448 469 HG22 ILE 81 2HG2 ILE 81 -1.780 20.508 -13.044 470 HG23 ILE 81 3HG2 ILE 81 -0.229 21.016 -12.403 471 HD11 ILE 81 3HD1 ILE 81 -5.210 20.760 -11.431 472 HD12 ILE 81 1HD1 ILE 81 -4.107 20.751 -12.808 473 HD13 ILE 81 2HD1 ILE 81 -3.765 19.752 -11.387 474 H SER 82 H SER 82 -1.017 23.154 -7.793 475 HA SER 82 HA SER 82 -2.645 25.574 -8.162 476 HB3 SER 82 2HB SER 82 -1.556 24.519 -5.540 477 HG SER 82 HG SER 82 -4.212 25.269 -5.911 478 H GLU 83 H GLU 83 -1.974 27.150 -6.420 479 HA GLU 83 HA GLU 83 0.409 28.521 -7.378 480 HB3 GLU 83 2HB GLU 83 -0.999 30.124 -6.733 481 HG3 GLU 83 2HG GLU 83 -1.909 29.794 -4.080 482 H ALA 84 H ALA 84 2.044 29.401 -6.014 483 HA ALA 84 HA ALA 84 3.212 27.552 -4.393 484 HB1 ALA 84 1HB ALA 84 4.886 29.299 -3.821 485 HB2 ALA 84 2HB ALA 84 4.384 29.545 -5.506 486 HB3 ALA 84 3HB ALA 84 3.712 30.570 -4.236 487 H GLY 85 H GLY 85 3.751 27.567 -2.073 488 HA2 GLY 85 1HA GLY 85 3.384 27.952 0.158 489 HA3 GLY 85 2HA GLY 85 2.392 29.359 -0.251 490 H LYS 86 H LYS 86 1.343 26.452 -1.795 491 HA LYS 86 HA LYS 86 -0.784 25.854 0.174 492 HB3 LYS 86 2HB LYS 86 -1.222 23.895 -1.245 493 HG3 LYS 86 2HG LYS 86 -2.122 24.814 -3.198 494 HD3 LYS 86 2HD LYS 86 -2.889 25.919 -0.871 495 HE3 LYS 86 2HE LYS 86 -2.127 28.299 -2.622 496 HZ1 LYS 86 3HZ LYS 86 -4.009 28.447 -1.014 497 HZ2 LYS 86 1HZ LYS 86 -2.805 29.576 -0.765 498 HZ3 LYS 86 2HZ LYS 86 -2.943 28.250 0.209 499 H ARG 87 H ARG 87 -0.646 23.663 1.188 500 HA ARG 87 HA ARG 87 2.077 22.694 1.713 501 HB3 ARG 87 2HB ARG 87 1.577 22.819 4.194 502 HG3 ARG 87 2HG ARG 87 1.680 25.514 2.755 503 HD3 ARG 87 2HD ARG 87 1.953 24.777 5.665 504 HE ARG 87 HE ARG 87 2.757 27.383 4.408 505 HH11 ARG 87 1HH1 ARG 87 3.420 24.903 6.864 506 HH12 ARG 87 2HH1 ARG 87 5.128 25.352 6.988 507 HH21 ARG 87 1HH2 ARG 87 4.713 28.334 5.183 508 HH22 ARG 87 2HH2 ARG 87 5.608 27.518 6.430 509 H LEU 88 H LEU 88 1.887 20.440 2.836 510 HA LEU 88 HA LEU 88 -0.767 19.369 2.873 511 HB3 LEU 88 2HB LEU 88 1.224 18.071 0.992 512 HG LEU 88 HG LEU 88 -1.194 17.213 2.032 513 HD11 LEU 88 1HD1 LEU 88 -1.961 18.633 -0.527 514 HD12 LEU 88 2HD1 LEU 88 -2.444 19.092 1.109 515 HD13 LEU 88 3HD1 LEU 88 -2.992 17.555 0.443 516 HD21 LEU 88 3HD2 LEU 88 -1.407 15.693 0.203 517 HD22 LEU 88 1HD2 LEU 88 0.249 15.801 0.826 518 HD23 LEU 88 2HD2 LEU 88 -0.152 16.610 -0.705 519 H HIS 89 H HIS 89 -0.728 17.275 3.804 520 HA HIS 89 HA HIS 89 1.803 16.143 4.808 521 HB3 HIS 89 2HB HIS 89 -0.601 16.934 6.511 522 HD1 HIS 89 1HD HIS 89 2.348 17.233 8.523 523 HD2 HIS 89 2HD HIS 89 0.022 13.941 7.194 524 HE1 HIS 89 1HE HIS 89 2.693 15.358 10.181 525 H ILE 90 H ILE 90 1.644 14.057 4.022 526 HA ILE 90 HA ILE 90 -1.072 12.792 3.821 527 HB ILE 90 HB ILE 90 1.446 12.409 2.209 528 HG13 ILE 90 2HG1 ILE 90 0.269 13.205 0.453 529 HG21 ILE 90 1HG2 ILE 90 -0.786 10.366 2.494 530 HG22 ILE 90 2HG2 ILE 90 0.401 10.381 1.171 531 HG23 ILE 90 3HG2 ILE 90 0.941 10.149 2.826 532 HD11 ILE 90 3HD1 ILE 90 -2.276 11.914 1.485 533 HD12 ILE 90 1HD1 ILE 90 -2.227 13.049 0.133 534 HD13 ILE 90 2HD1 ILE 90 -1.353 11.514 0.012 535 H THR 91 H THR 91 -1.367 10.871 4.855 536 HA THR 91 HA THR 91 0.860 9.761 6.484 537 HB THR 91 HB THR 91 -2.092 9.943 7.172 538 HG1 THR 91 1HG THR 91 -1.193 11.905 7.375 539 HG21 THR 91 3HG2 THR 91 -1.468 9.052 9.367 540 HG22 THR 91 1HG2 THR 91 0.245 8.989 8.891 541 HG23 THR 91 2HG2 THR 91 -0.956 7.923 8.121 542 H VAL 92 H VAL 92 1.170 7.589 6.060 543 HA VAL 92 HA VAL 92 -0.903 6.022 4.678 544 HB VAL 92 HB VAL 92 1.273 5.048 3.438 545 HG11 VAL 92 1HG1 VAL 92 -0.467 7.338 2.445 546 HG12 VAL 92 2HG1 VAL 92 0.554 6.308 1.407 547 HG13 VAL 92 3HG1 VAL 92 -0.773 5.585 2.317 548 HG21 VAL 92 3HG2 VAL 92 2.701 6.724 2.471 549 HG22 VAL 92 1HG2 VAL 92 1.840 8.031 3.310 550 HG23 VAL 92 2HG2 VAL 92 2.780 6.862 4.247 551 H ILE 93 H ILE 93 -1.348 4.525 6.157 552 HA ILE 93 HA ILE 93 0.916 3.081 7.436 553 HB ILE 93 HB ILE 93 -1.827 3.722 8.583 554 HG13 ILE 93 2HG1 ILE 93 -0.027 5.657 8.456 555 HG21 ILE 93 1HG2 ILE 93 -0.953 1.561 9.384 556 HG22 ILE 93 2HG2 ILE 93 0.593 2.308 9.791 557 HG23 ILE 93 3HG2 ILE 93 -0.877 2.746 10.680 558 HD11 ILE 93 3HD1 ILE 93 -1.269 4.868 11.097 559 HD12 ILE 93 1HD1 ILE 93 -0.444 6.411 10.760 560 HD13 ILE 93 2HD1 ILE 93 -1.900 5.988 9.863 561 H GLY 94 H GLY 94 0.755 0.883 7.517 562 HA2 GLY 94 1HA GLY 94 -1.412 -0.408 5.934 563 HA3 GLY 94 2HA GLY 94 0.286 -0.723 5.610 564 H TYR 95 H TYR 95 -1.706 -2.591 6.333 565 HA TYR 95 HA TYR 95 -0.968 -3.434 9.073 566 HB3 TYR 95 2HB TYR 95 -3.392 -3.780 9.457 567 HD1 TYR 95 1HD TYR 95 -3.573 -0.793 7.283 568 HD2 TYR 95 2HD TYR 95 -2.888 -2.269 11.261 569 HE1 TYR 95 1HE TYR 95 -3.788 1.513 8.143 570 HE2 TYR 95 2HE TYR 95 -3.140 0.077 12.164 571 HH TYR 95 HH TYR 95 -3.381 2.433 11.544 572 H ILE 96 H ILE 96 -1.428 -5.568 9.544 573 HA ILE 96 HA ILE 96 -2.190 -7.475 7.416 574 HB ILE 96 HB ILE 96 0.448 -7.613 8.950 575 HG13 ILE 96 2HG1 ILE 96 0.609 -6.147 6.994 576 HG21 ILE 96 1HG2 ILE 96 0.867 -9.764 8.063 577 HG22 ILE 96 2HG2 ILE 96 -0.804 -9.886 8.597 578 HG23 ILE 96 3HG2 ILE 96 -0.424 -9.636 6.876 579 HD11 ILE 96 3HD1 ILE 96 2.407 -7.079 5.858 580 HD12 ILE 96 1HD1 ILE 96 2.431 -7.998 7.367 581 HD13 ILE 96 2HD1 ILE 96 1.734 -8.723 5.897 582 H ASP 97 H ASP 97 -3.623 -8.822 8.346 583 HA ASP 97 HA ASP 97 -4.924 -9.825 9.950 584 HB3 ASP 97 2HB ASP 97 -2.120 -10.668 10.700 585 H ASP 98 H ASP 98 -5.193 -7.464 10.784 586 HA ASP 98 HA ASP 98 -5.769 -6.105 12.463 587 HB3 ASP 98 2HB ASP 98 -5.520 -8.568 14.201 588 H LYS 99 H LYS 99 -2.810 -6.242 11.878 589 HA LYS 99 HA LYS 99 -2.005 -4.729 14.286 590 HB3 LYS 99 2HB LYS 99 0.395 -5.626 13.739 591 HG3 LYS 99 2HG LYS 99 -0.134 -7.876 14.839 592 HD3 LYS 99 2HD LYS 99 0.933 -6.103 16.109 593 HE3 LYS 99 2HE LYS 99 -1.934 -5.217 16.544 594 HZ1 LYS 99 3HZ LYS 99 0.343 -4.508 18.303 595 HZ2 LYS 99 1HZ LYS 99 -0.890 -5.527 18.666 596 HZ3 LYS 99 2HZ LYS 99 -1.243 -3.988 18.416 597 H GLU 100 H GLU 100 -0.149 -3.403 13.787 598 HA GLU 100 HA GLU 100 -0.368 -2.043 11.122 599 HB3 GLU 100 2HB GLU 100 0.735 -1.052 13.799 600 HG3 GLU 100 2HG GLU 100 -0.061 0.756 11.557 601 H VAL 101 H VAL 101 1.471 -2.362 9.826 602 HA VAL 101 HA VAL 101 3.944 -3.380 11.189 603 HB VAL 101 HB VAL 101 4.139 -5.128 9.590 604 HG11 VAL 101 1HG1 VAL 101 1.310 -5.251 10.710 605 HG12 VAL 101 2HG1 VAL 101 2.346 -6.599 10.230 606 HG13 VAL 101 3HG1 VAL 101 2.807 -5.604 11.614 607 HG21 VAL 101 3HG2 VAL 101 3.057 -3.999 7.631 608 HG22 VAL 101 1HG2 VAL 101 2.561 -5.653 7.905 609 HG23 VAL 101 2HG2 VAL 101 1.469 -4.318 8.370 610 H ASN 102 H ASN 102 2.776 -0.925 9.212 611 HA ASN 102 HA ASN 102 5.470 -0.236 8.426 612 HB3 ASN 102 2HB ASN 102 3.557 -0.093 6.132 613 HD21 ASN 102 1HD2 ASN 102 5.117 -1.778 4.377 614 HD22 ASN 102 2HD2 ASN 102 6.710 -1.116 4.232 615 H ARG 103 H ARG 103 5.539 2.052 8.340 616 HA ARG 103 HA ARG 103 3.074 3.578 7.947 617 HB3 ARG 103 2HB ARG 103 2.618 3.212 10.227 618 HG3 ARG 103 2HG ARG 103 5.556 3.669 10.906 619 HD3 ARG 103 2HD ARG 103 3.006 3.854 12.517 620 HE ARG 103 HE ARG 103 5.010 2.419 13.517 621 HH11 ARG 103 1HH1 ARG 103 4.003 5.711 14.213 622 HH12 ARG 103 2HH1 ARG 103 4.155 5.632 15.927 623 HH21 ARG 103 1HH2 ARG 103 5.081 2.160 15.827 624 HH22 ARG 103 2HH2 ARG 103 4.902 3.529 16.866 625 H LEU 104 H LEU 104 3.513 5.409 6.898 626 HA LEU 104 HA LEU 104 5.805 6.905 7.829 627 HB3 LEU 104 2HB LEU 104 6.795 5.568 6.046 628 HG LEU 104 HG LEU 104 4.590 5.715 4.536 629 HD11 LEU 104 1HD1 LEU 104 6.374 7.891 3.357 630 HD12 LEU 104 2HD1 LEU 104 4.783 8.185 4.069 631 HD13 LEU 104 3HD1 LEU 104 4.939 7.216 2.598 632 HD21 LEU 104 3HD2 LEU 104 6.064 5.055 2.604 633 HD22 LEU 104 1HD2 LEU 104 6.529 4.261 4.120 634 HD23 LEU 104 2HD2 LEU 104 7.462 5.643 3.511 635 H GLU 105 H GLU 105 5.898 9.061 6.652 636 HA GLU 105 HA GLU 105 3.251 10.114 6.096 637 HB3 GLU 105 2HB GLU 105 3.708 12.011 7.645 638 HG3 GLU 105 2HG GLU 105 2.480 9.854 8.452 639 H LYS 106 H LYS 106 3.595 12.411 5.218 640 HA LYS 106 HA LYS 106 6.313 12.944 4.224 641 HB3 LYS 106 2HB LYS 106 4.112 13.050 2.160 642 HG3 LYS 106 2HG LYS 106 6.596 13.756 1.801 643 HD3 LYS 106 2HD LYS 106 7.563 11.606 2.831 644 HE3 LYS 106 2HE LYS 106 6.600 10.541 0.142 645 HZ1 LYS 106 3HZ LYS 106 7.888 8.620 0.614 646 HZ2 LYS 106 1HZ LYS 106 8.196 9.107 2.176 647 HZ3 LYS 106 2HZ LYS 106 8.874 9.877 0.886 648 H GLU 107 H GLU 107 6.330 15.108 3.074 649 HA GLU 107 HA GLU 107 4.145 16.948 3.846 650 HB3 GLU 107 2HB GLU 107 7.106 17.456 4.376 651 HG3 GLU 107 2HG GLU 107 4.664 19.230 4.505 652 H TYR 108 H TYR 108 3.727 18.346 2.131 653 HA TYR 108 HA TYR 108 5.853 18.766 0.135 654 HB3 TYR 108 2HB TYR 108 4.313 18.621 -1.690 655 HD1 TYR 108 1HD TYR 108 5.940 16.723 -2.007 656 HD2 TYR 108 2HD TYR 108 2.322 16.298 0.258 657 HE1 TYR 108 1HE TYR 108 6.089 14.253 -2.244 658 HE2 TYR 108 2HE TYR 108 2.428 13.827 0.004 659 HH TYR 108 HH TYR 108 5.204 12.220 -1.608 660 H ILE 109 H ILE 109 5.691 20.862 -0.887 661 HA ILE 109 HA ILE 109 3.704 22.749 0.021 662 HB ILE 109 HB ILE 109 6.698 23.158 0.491 663 HG13 ILE 109 2HG1 ILE 109 5.800 21.855 2.290 664 HG21 ILE 109 1HG2 ILE 109 6.232 25.393 1.241 665 HG22 ILE 109 2HG2 ILE 109 5.566 25.229 -0.359 666 HG23 ILE 109 3HG2 ILE 109 4.478 25.174 1.046 667 HD11 ILE 109 3HD1 ILE 109 5.829 24.662 3.415 668 HD12 ILE 109 1HD1 ILE 109 6.172 23.137 4.244 669 HD13 ILE 109 2HD1 ILE 109 7.296 23.735 3.004 670 H THR 110 H THR 110 3.398 24.296 -1.692 671 HA THR 110 HA THR 110 4.747 23.657 -4.244 672 HB THR 110 HB THR 110 3.034 25.531 -4.961 673 HG1 THR 110 1HG THR 110 1.451 25.873 -3.694 674 HG21 THR 110 3HG2 THR 110 2.015 22.822 -3.954 675 HG22 THR 110 1HG2 THR 110 2.721 23.151 -5.556 676 HG23 THR 110 2HG2 THR 110 1.189 23.900 -5.109 677 H ASP 111 H ASP 111 6.007 25.098 -5.367 678 HA ASP 111 HA ASP 111 7.012 27.480 -3.866 679 HB3 ASP 111 2HB ASP 111 9.215 26.892 -4.979 680 H GLY 112 H GLY 112 5.027 26.925 -6.377 681 HA2 GLY 112 1HA GLY 112 4.395 28.703 -7.832 682 HA3 GLY 112 2HA GLY 112 6.091 29.162 -8.032 683 H ASN 113 H ASN 113 6.205 25.887 -8.003 684 HA ASN 113 HA ASN 113 6.143 25.691 -10.966 685 HB3 ASN 113 2HB ASN 113 7.592 23.620 -10.396 686 HD21 ASN 113 1HD2 ASN 113 9.376 26.060 -8.633 687 HD22 ASN 113 2HD2 ASN 113 9.839 27.022 -10.028 688 H THR 114 H THR 114 5.700 23.341 -11.699 689 HA THR 114 HA THR 114 3.200 22.396 -10.682 690 HB THR 114 HB THR 114 4.867 20.587 -12.371 691 HG1 THR 114 1HG THR 114 5.314 21.862 -13.942 692 HG21 THR 114 3HG2 THR 114 2.406 20.390 -11.986 693 HG22 THR 114 1HG2 THR 114 2.818 20.534 -13.710 694 HG23 THR 114 2HG2 THR 114 2.169 21.929 -12.812 695 H LEU 115 H LEU 115 3.057 21.215 -8.793 696 HA LEU 115 HA LEU 115 5.489 20.080 -7.589 697 HB3 LEU 115 2HB LEU 115 2.687 19.398 -6.676 698 HG LEU 115 HG LEU 115 5.421 19.505 -5.474 699 HD11 LEU 115 1HD1 LEU 115 4.774 20.018 -3.286 700 HD12 LEU 115 2HD1 LEU 115 3.034 20.101 -3.671 701 HD13 LEU 115 3HD1 LEU 115 4.188 21.332 -4.279 702 HD21 LEU 115 3HD2 LEU 115 4.158 17.346 -5.817 703 HD22 LEU 115 1HD2 LEU 115 2.928 17.957 -4.678 704 HD23 LEU 115 2HD2 LEU 115 4.585 17.647 -4.136 705 H ILE 116 H ILE 116 5.949 17.923 -7.493 706 HA ILE 116 HA ILE 116 4.270 15.902 -8.619 707 HB ILE 116 HB ILE 116 6.747 16.657 -10.187 708 HG13 ILE 116 2HG1 ILE 116 4.868 17.871 -10.905 709 HG21 ILE 116 1HG2 ILE 116 6.763 14.205 -9.871 710 HG22 ILE 116 2HG2 ILE 116 5.059 14.121 -10.379 711 HG23 ILE 116 3HG2 ILE 116 6.319 14.584 -11.521 712 HD11 ILE 116 3HD1 ILE 116 4.373 17.267 -13.149 713 HD12 ILE 116 1HD1 ILE 116 6.065 16.835 -12.847 714 HD13 ILE 116 2HD1 ILE 116 4.809 15.578 -12.864 715 H GLU 117 H GLU 117 4.724 14.112 -7.604 716 HA GLU 117 HA GLU 117 7.338 13.346 -6.655 717 HB3 GLU 117 2HB GLU 117 5.982 13.247 -4.205 718 HG3 GLU 117 2HG GLU 117 7.646 15.010 -3.528 719 H THR 118 H THR 118 7.109 11.234 -5.166 720 HA THR 118 HA THR 118 4.778 9.506 -5.841 721 HB THR 118 HB THR 118 6.255 7.744 -6.634 722 HG1 THR 118 1HG THR 118 8.271 9.773 -6.788 723 HG21 THR 118 3HG2 THR 118 6.567 8.436 -8.886 724 HG22 THR 118 1HG2 THR 118 6.605 10.157 -8.440 725 HG23 THR 118 2HG2 THR 118 5.108 9.221 -8.288 726 H PHE 119 H PHE 119 4.588 7.696 -4.540 727 HA PHE 119 HA PHE 119 6.452 7.357 -2.288 728 HB3 PHE 119 2HB PHE 119 4.945 9.071 -1.445 729 HD1 PHE 119 2HD PHE 119 3.337 9.883 -3.290 730 HD2 PHE 119 1HD PHE 119 2.487 6.535 -0.714 731 HE1 PHE 119 2HE PHE 119 0.898 10.086 -3.813 732 HE2 PHE 119 1HE PHE 119 0.052 6.765 -1.238 733 HZ PHE 119 HZ PHE 119 -0.722 8.553 -2.777 734 H SER 120 H SER 120 5.682 5.377 -0.936 735 HA SER 120 HA SER 120 3.993 3.473 -2.235 736 HB3 SER 120 2HB SER 120 5.544 3.022 -3.875 737 HG SER 120 HG SER 120 7.917 2.868 -2.736 738 H VAL 121 H VAL 121 3.243 2.236 -0.730 739 HA VAL 121 HA VAL 121 4.926 1.263 1.509 740 HB VAL 121 HB VAL 121 2.155 2.525 1.431 741 HG11 VAL 121 1HG1 VAL 121 3.270 0.993 3.796 742 HG12 VAL 121 2HG1 VAL 121 1.749 1.936 3.713 743 HG13 VAL 121 3HG1 VAL 121 1.926 0.484 2.732 744 HG21 VAL 121 3HG2 VAL 121 4.672 3.002 3.083 745 HG22 VAL 121 1HG2 VAL 121 3.992 4.087 1.838 746 HG23 VAL 121 2HG2 VAL 121 3.141 3.834 3.362 747 H SER 122 H SER 122 5.207 -0.893 1.137 748 HA SER 122 HA SER 122 3.014 -2.481 -0.077 749 HB3 SER 122 2HB SER 122 4.653 -4.168 -0.460 750 HG SER 122 HG SER 122 6.210 -2.975 -1.690 751 H THR 123 H THR 123 2.310 -4.403 1.193 752 HA THR 123 HA THR 123 3.096 -4.337 4.093 753 HB THR 123 HB THR 123 1.086 -5.700 4.466 754 HG1 THR 123 1HG THR 123 1.163 -6.641 2.460 755 HG21 THR 123 3HG2 THR 123 0.601 -3.349 4.696 756 HG22 THR 123 1HG2 THR 123 -0.753 -4.154 3.895 757 HG23 THR 123 2HG2 THR 123 0.381 -3.193 2.934 758 H LYS 124 H LYS 124 5.016 -5.359 2.174 759 HA LYS 124 HA LYS 124 5.681 -7.695 3.366 760 HB3 LYS 124 2HB LYS 124 5.274 -8.538 0.542 761 HG3 LYS 124 2HG LYS 124 6.127 -9.922 2.549 762 HD3 LYS 124 2HD LYS 124 3.111 -9.973 3.048 763 HE3 LYS 124 2HE LYS 124 4.209 -12.248 3.150 764 HZ1 LYS 124 3HZ LYS 124 5.503 -12.688 5.079 765 HZ2 LYS 124 1HZ LYS 124 5.485 -11.085 5.567 766 HZ3 LYS 124 2HZ LYS 124 6.305 -11.514 4.252 767 H GLU 125 H GLU 125 7.835 -8.048 2.896 768 HA GLU 125 HA GLU 125 9.156 -7.124 0.457 769 HB3 GLU 125 2HB GLU 125 10.988 -6.218 1.873 770 HG3 GLU 125 2HG GLU 125 9.022 -4.669 1.016 771 H ILE 126 H ILE 126 10.697 -8.894 -0.094 772 HA ILE 126 HA ILE 126 11.064 -11.020 1.870 773 HB ILE 126 HB ILE 126 10.330 -12.592 0.126 774 HG13 ILE 126 2HG1 ILE 126 10.529 -11.008 -1.833 775 HG21 ILE 126 1HG2 ILE 126 8.863 -11.931 2.026 776 HG22 ILE 126 2HG2 ILE 126 8.067 -10.741 0.975 777 HG23 ILE 126 3HG2 ILE 126 7.952 -12.480 0.619 778 HD11 ILE 126 3HD1 ILE 126 9.356 -13.226 -1.986 779 HD12 ILE 126 1HD1 ILE 126 7.819 -12.378 -1.689 780 HD13 ILE 126 2HD1 ILE 126 8.781 -12.000 -3.131 Start of MODEL 3 1 H1 GLY 1 H GLY 1 7.024 -27.709 -4.438 2 HA2 GLY 1 1HA GLY 1 8.748 -28.843 -3.025 3 HA3 GLY 1 2HA GLY 1 9.601 -27.280 -3.047 4 H ALA 2 H ALA 2 9.426 -26.770 -0.837 5 HA ALA 2 HA ALA 2 6.691 -26.126 0.077 6 HB1 ALA 2 1HB ALA 2 7.476 -28.124 1.326 7 HB2 ALA 2 2HB ALA 2 8.951 -27.240 1.801 8 HB3 ALA 2 3HB ALA 2 7.361 -26.702 2.376 9 H SER 3 H SER 3 6.771 -24.362 1.798 10 HA SER 3 HA SER 3 9.118 -22.744 2.028 11 HB3 SER 3 2HB SER 3 8.688 -21.920 -0.134 12 HG SER 3 HG SER 3 6.189 -21.037 -0.008 13 H ASP 4 H ASP 4 8.224 -20.483 3.084 14 HA ASP 4 HA ASP 4 6.509 -21.116 5.362 15 HB3 ASP 4 2HB ASP 4 8.438 -19.378 5.344 16 H PHE 5 H PHE 5 4.437 -19.948 5.656 17 HA PHE 5 HA PHE 5 3.465 -18.301 3.502 18 HB3 PHE 5 2HB PHE 5 1.240 -19.361 3.519 19 HD1 PHE 5 1HD PHE 5 2.591 -19.080 1.158 20 HD2 PHE 5 2HD PHE 5 2.415 -22.692 3.506 21 HE1 PHE 5 1HE PHE 5 3.088 -20.415 -0.866 22 HE2 PHE 5 2HE PHE 5 2.954 -24.008 1.491 23 HZ PHE 5 HZ PHE 5 3.285 -22.894 -0.703 24 H GLN 6 H GLN 6 3.471 -16.494 4.997 25 HA GLN 6 HA GLN 6 1.556 -16.776 7.223 26 HB3 GLN 6 2HB GLN 6 2.857 -14.774 8.120 27 HG3 GLN 6 2HG GLN 6 4.687 -17.066 8.540 28 HE21 GLN 6 1HE2 GLN 6 1.942 -16.683 10.637 29 HE22 GLN 6 2HE2 GLN 6 2.713 -15.688 11.850 30 H THR 7 H THR 7 -0.213 -16.024 6.285 31 HA THR 7 HA THR 7 -0.384 -13.280 5.649 32 HB THR 7 HB THR 7 0.478 -13.905 3.500 33 HG1 THR 7 1HG THR 7 -1.420 -13.399 2.199 34 HG21 THR 7 3HG2 THR 7 -1.814 -15.873 3.394 35 HG22 THR 7 1HG2 THR 7 -0.089 -16.277 3.484 36 HG23 THR 7 2HG2 THR 7 -0.727 -15.490 2.036 37 H GLY 8 H GLY 8 -2.748 -12.929 4.834 38 HA2 GLY 8 1HA GLY 8 -4.879 -14.586 5.817 39 HA3 GLY 8 2HA GLY 8 -4.421 -13.337 6.999 40 H ILE 9 H ILE 9 -4.833 -11.177 6.532 41 HA ILE 9 HA ILE 9 -6.028 -10.439 3.919 42 HB ILE 9 HB ILE 9 -7.122 -9.456 6.588 43 HG13 ILE 9 2HG1 ILE 9 -7.954 -11.826 4.920 44 HG21 ILE 9 1HG2 ILE 9 -8.124 -9.122 3.729 45 HG22 ILE 9 2HG2 ILE 9 -8.941 -8.543 5.184 46 HG23 ILE 9 3HG2 ILE 9 -7.390 -7.859 4.739 47 HD11 ILE 9 3HD1 ILE 9 -8.879 -12.559 7.129 48 HD12 ILE 9 1HD1 ILE 9 -7.164 -12.160 7.280 49 HD13 ILE 9 2HD1 ILE 9 -8.393 -11.011 7.837 50 H HIS 10 H HIS 10 -5.284 -8.497 3.172 51 HA HIS 10 HA HIS 10 -3.276 -7.007 4.787 52 HB3 HIS 10 2HB HIS 10 -2.867 -5.972 2.497 53 HD1 HIS 10 1HD HIS 10 -0.360 -6.570 3.084 54 HD2 HIS 10 2HD HIS 10 -2.839 -9.816 2.069 55 HE1 HIS 10 1HE HIS 10 1.138 -8.613 3.031 56 H LYS 11 H LYS 11 -3.655 -4.820 5.151 57 HA LYS 11 HA LYS 11 -5.708 -3.505 3.631 58 HB3 LYS 11 2HB LYS 11 -7.341 -3.469 5.097 59 HG3 LYS 11 2HG LYS 11 -7.204 -3.761 7.572 60 HD3 LYS 11 2HD LYS 11 -6.015 -6.261 6.413 61 HE3 LYS 11 2HE LYS 11 -7.066 -6.170 8.724 62 HZ1 LYS 11 3HZ LYS 11 -9.440 -6.533 8.677 63 HZ2 LYS 11 1HZ LYS 11 -9.541 -6.087 7.105 64 HZ3 LYS 11 2HZ LYS 11 -9.082 -4.992 8.264 65 H ILE 12 H ILE 12 -5.687 -1.216 3.796 66 HA ILE 12 HA ILE 12 -3.103 -0.016 4.707 67 HB ILE 12 HB ILE 12 -4.481 0.323 2.006 68 HG13 ILE 12 2HG1 ILE 12 -2.484 -0.413 0.944 69 HG21 ILE 12 1HG2 ILE 12 -3.841 2.522 2.594 70 HG22 ILE 12 2HG2 ILE 12 -2.236 2.012 3.164 71 HG23 ILE 12 3HG2 ILE 12 -2.652 1.949 1.437 72 HD11 ILE 12 3HD1 ILE 12 -0.702 0.364 2.502 73 HD12 ILE 12 1HD1 ILE 12 -1.191 -0.912 3.641 74 HD13 ILE 12 2HD1 ILE 12 -0.539 -1.338 2.053 75 H VAL 13 H VAL 13 -3.366 2.201 5.338 76 HA VAL 13 HA VAL 13 -6.076 3.402 5.197 77 HB VAL 13 HB VAL 13 -4.266 3.272 7.636 78 HG11 VAL 13 1HG1 VAL 13 -6.671 5.104 7.252 79 HG12 VAL 13 2HG1 VAL 13 -5.824 4.819 8.776 80 HG13 VAL 13 3HG1 VAL 13 -4.979 5.611 7.452 81 HG21 VAL 13 3HG2 VAL 13 -5.897 1.410 7.392 82 HG22 VAL 13 1HG2 VAL 13 -6.276 2.449 8.770 83 HG23 VAL 13 2HG2 VAL 13 -7.214 2.592 7.277 84 H ILE 14 H ILE 14 -5.989 5.585 4.616 85 HA ILE 14 HA ILE 14 -3.280 6.816 4.360 86 HB ILE 14 HB ILE 14 -5.456 6.671 2.234 87 HG13 ILE 14 2HG1 ILE 14 -3.730 4.729 2.510 88 HG21 ILE 14 1HG2 ILE 14 -3.835 8.018 0.805 89 HG22 ILE 14 2HG2 ILE 14 -4.594 8.923 2.105 90 HG23 ILE 14 3HG2 ILE 14 -2.919 8.352 2.288 91 HD11 ILE 14 3HD1 ILE 14 -3.683 4.239 0.266 92 HD12 ILE 14 1HD1 ILE 14 -5.166 5.185 0.449 93 HD13 ILE 14 2HD1 ILE 14 -3.687 5.934 -0.238 94 H GLN 15 H GLN 15 -3.335 9.128 4.599 95 HA GLN 15 HA GLN 15 -5.974 10.381 5.008 96 HB3 GLN 15 2HB GLN 15 -5.166 11.497 7.084 97 HG3 GLN 15 2HG GLN 15 -5.985 8.911 7.254 98 HE21 GLN 15 1HE2 GLN 15 -4.890 8.069 9.944 99 HE22 GLN 15 2HE2 GLN 15 -3.394 7.277 9.573 100 H GLN 16 H GLN 16 -5.803 12.746 5.201 101 HA GLN 16 HA GLN 16 -3.445 14.040 4.144 102 HB3 GLN 16 2HB GLN 16 -4.098 13.367 2.045 103 HG3 GLN 16 2HG GLN 16 -6.961 14.292 2.550 104 HE21 GLN 16 1HE2 GLN 16 -8.287 14.094 0.648 105 HE22 GLN 16 2HE2 GLN 16 -7.635 13.546 -0.905 106 H SER 17 H SER 17 -3.469 16.214 4.580 107 HA SER 17 HA SER 17 -5.763 17.680 5.541 108 HB3 SER 17 2HB SER 17 -5.149 16.586 7.646 109 HG SER 17 HG SER 17 -2.473 17.433 7.204 110 H GLY 18 H GLY 18 -5.245 19.970 5.367 111 HA2 GLY 18 1HA GLY 18 -3.438 21.686 5.184 112 HA3 GLY 18 2HA GLY 18 -2.603 20.552 4.115 113 H ASP 19 H ASP 19 -2.718 21.471 2.125 114 HA ASP 19 HA ASP 19 -4.993 22.981 1.168 115 HB3 ASP 19 2HB ASP 19 -2.631 23.558 0.660 116 H THR 20 H THR 20 -6.330 20.888 1.785 117 HA THR 20 HA THR 20 -6.473 19.005 -0.430 118 HB THR 20 HB THR 20 -8.711 18.402 0.751 119 HG1 THR 20 1HG THR 20 -8.898 20.363 1.868 120 HG21 THR 20 3HG2 THR 20 -6.396 17.257 1.241 121 HG22 THR 20 1HG2 THR 20 -7.837 16.909 2.189 122 HG23 THR 20 2HG2 THR 20 -6.650 18.015 2.848 123 H ASP 21 H ASP 21 -6.510 21.170 -1.735 124 HA ASP 21 HA ASP 21 -9.289 21.507 -2.723 125 HB3 ASP 21 2HB ASP 21 -8.855 23.330 -1.102 126 H SER 22 H SER 22 -5.760 22.103 -3.291 127 HA SER 22 HA SER 22 -6.271 21.628 -6.179 128 HB3 SER 22 2HB SER 22 -4.311 23.746 -5.515 129 HG SER 22 HG SER 22 -5.042 23.211 -7.634 130 H PHE 23 H PHE 23 -5.688 19.741 -4.939 131 HA PHE 23 HA PHE 23 -2.930 18.922 -5.698 132 HB3 PHE 23 2HB PHE 23 -3.255 19.283 -3.183 133 HD1 PHE 23 2HD PHE 23 -6.273 19.088 -3.468 134 HD2 PHE 23 1HD PHE 23 -3.388 16.174 -2.146 135 HE1 PHE 23 2HE PHE 23 -8.014 17.890 -2.329 136 HE2 PHE 23 1HE PHE 23 -5.115 15.087 -0.820 137 HZ PHE 23 HZ PHE 23 -7.507 15.930 -0.935 138 H GLU 24 H GLU 24 -2.882 16.545 -6.291 139 HA GLU 24 HA GLU 24 -5.501 15.181 -6.542 140 HB3 GLU 24 2HB GLU 24 -3.704 15.317 -8.954 141 HG3 GLU 24 2HG GLU 24 -5.963 13.895 -8.632 142 H VAL 25 H VAL 25 -5.056 13.431 -5.428 143 HA VAL 25 HA VAL 25 -2.345 12.186 -5.382 144 HB VAL 25 HB VAL 25 -4.630 11.777 -3.408 145 HG11 VAL 25 1HG1 VAL 25 -2.829 10.054 -3.389 146 HG12 VAL 25 2HG1 VAL 25 -1.620 11.332 -3.138 147 HG13 VAL 25 3HG1 VAL 25 -2.858 10.999 -1.903 148 HG21 VAL 25 3HG2 VAL 25 -4.077 14.155 -3.365 149 HG22 VAL 25 1HG2 VAL 25 -3.619 13.306 -1.889 150 HG23 VAL 25 2HG2 VAL 25 -2.371 13.753 -3.071 151 H SER 26 H SER 26 -2.410 10.723 -7.166 152 HA SER 26 HA SER 26 -4.750 8.923 -7.367 153 HB3 SER 26 2HB SER 26 -4.625 9.198 -9.552 154 HG SER 26 HG SER 26 -3.638 10.970 -10.377 155 H VAL 27 H VAL 27 -4.436 6.818 -6.494 156 HA VAL 27 HA VAL 27 -1.632 5.834 -6.452 157 HB VAL 27 HB VAL 27 -3.456 5.234 -4.181 158 HG11 VAL 27 1HG1 VAL 27 -0.468 5.640 -4.192 159 HG12 VAL 27 2HG1 VAL 27 -1.476 5.057 -2.862 160 HG13 VAL 27 3HG1 VAL 27 -1.310 4.071 -4.316 161 HG21 VAL 27 3HG2 VAL 27 -3.684 7.640 -4.162 162 HG22 VAL 27 1HG2 VAL 27 -2.567 7.192 -2.879 163 HG23 VAL 27 2HG2 VAL 27 -1.938 7.848 -4.416 164 H SER 28 H SER 28 -1.360 3.568 -6.413 165 HA SER 28 HA SER 28 -3.374 2.065 -7.934 166 HB3 SER 28 2HB SER 28 -0.697 1.172 -6.788 167 HG SER 28 HG SER 28 -0.657 -0.237 -8.427 168 H ILE 29 H ILE 29 -4.350 0.143 -7.092 169 HA ILE 29 HA ILE 29 -3.560 -0.737 -4.382 170 HB ILE 29 HB ILE 29 -6.368 -0.334 -5.454 171 HG13 ILE 29 2HG1 ILE 29 -5.078 1.546 -4.134 172 HG21 ILE 29 1HG2 ILE 29 -7.127 -1.441 -3.275 173 HG22 ILE 29 2HG2 ILE 29 -6.387 -2.511 -4.454 174 HG23 ILE 29 3HG2 ILE 29 -5.444 -1.956 -3.048 175 HD11 ILE 29 3HD1 ILE 29 -7.058 2.252 -2.927 176 HD12 ILE 29 1HD1 ILE 29 -7.458 1.721 -4.559 177 HD13 ILE 29 2HD1 ILE 29 -7.814 0.672 -3.153 178 H GLY 30 H GLY 30 -2.619 -2.702 -4.755 179 HA2 GLY 30 1HA GLY 30 -3.946 -4.659 -6.425 180 HA3 GLY 30 2HA GLY 30 -2.387 -4.093 -7.062 181 H GLY 31 H GLY 31 -2.459 -6.664 -6.568 182 HA2 GLY 31 1HA GLY 31 -0.487 -7.337 -4.706 183 HA3 GLY 31 2HA GLY 31 -2.052 -7.639 -3.930 184 H ALA 32 H ALA 32 -0.444 -9.858 -4.381 185 HA ALA 32 HA ALA 32 -1.914 -11.332 -6.499 186 HB1 ALA 32 1HB ALA 32 0.501 -10.714 -7.194 187 HB2 ALA 32 2HB ALA 32 0.997 -11.858 -5.895 188 HB3 ALA 32 3HB ALA 32 0.049 -12.423 -7.259 189 H ASP 33 H ASP 33 -1.935 -13.662 -6.150 190 HA ASP 33 HA ASP 33 -1.787 -14.428 -3.297 191 HB3 ASP 33 2HB ASP 33 -4.131 -13.901 -4.296 192 H LYS 34 H LYS 34 -2.632 -17.077 -3.546 193 HA LYS 34 HA LYS 34 -0.256 -18.341 -4.712 194 HB3 LYS 34 2HB LYS 34 -2.579 -19.609 -3.203 195 HG3 LYS 34 2HG LYS 34 -0.248 -20.667 -4.620 196 HD3 LYS 34 2HD LYS 34 0.737 -20.597 -2.346 197 HE3 LYS 34 2HE LYS 34 -1.645 -22.371 -1.596 198 HZ1 LYS 34 3HZ LYS 34 -0.628 -22.020 0.666 199 HZ2 LYS 34 1HZ LYS 34 0.760 -21.575 -0.063 200 HZ3 LYS 34 2HZ LYS 34 0.180 -23.083 -0.315 201 H GLY 35 H GLY 35 -0.970 -17.411 -6.753 202 HA2 GLY 35 1HA GLY 35 -0.958 -18.818 -8.834 203 HA3 GLY 35 2HA GLY 35 -2.395 -19.620 -8.218 204 H GLY 36 H GLY 36 -1.602 -16.161 -8.253 205 HA2 GLY 36 1HA GLY 36 -2.684 -15.188 -10.605 206 HA3 GLY 36 2HA GLY 36 -4.089 -15.563 -9.602 207 HA PRO 37 HA PRO 37 -2.880 -11.286 -8.289 208 HB3 PRO 37 2HB PRO 37 -3.911 -10.515 -10.251 209 HG3 PRO 37 2HG PRO 37 -5.959 -11.498 -11.042 210 HD3 PRO 37 2HD PRO 37 -4.464 -13.271 -11.108 211 H ALA 38 H ALA 38 -4.171 -9.978 -6.620 212 HA ALA 38 HA ALA 38 -5.769 -11.723 -4.793 213 HB1 ALA 38 1HB ALA 38 -5.281 -9.964 -3.134 214 HB2 ALA 38 2HB ALA 38 -3.786 -10.677 -3.800 215 HB3 ALA 38 3HB ALA 38 -4.338 -9.067 -4.339 216 H LYS 39 H LYS 39 -7.973 -11.488 -5.215 217 HA LYS 39 HA LYS 39 -9.262 -9.181 -6.264 218 HB3 LYS 39 2HB LYS 39 -11.310 -10.134 -5.108 219 HG3 LYS 39 2HG LYS 39 -9.528 -11.947 -6.799 220 HD3 LYS 39 2HD LYS 39 -12.526 -12.236 -6.356 221 HE3 LYS 39 2HE LYS 39 -10.418 -14.211 -7.341 222 HZ1 LYS 39 3HZ LYS 39 -12.210 -15.527 -7.966 223 HZ2 LYS 39 1HZ LYS 39 -13.336 -14.330 -7.745 224 HZ3 LYS 39 2HZ LYS 39 -12.605 -15.046 -6.460 225 H LEU 40 H LEU 40 -9.661 -7.157 -5.433 226 HA LEU 40 HA LEU 40 -9.032 -6.675 -2.564 227 HB3 LEU 40 2HB LEU 40 -8.362 -4.449 -3.234 228 HG LEU 40 HG LEU 40 -6.989 -6.734 -4.461 229 HD11 LEU 40 1HD1 LEU 40 -5.843 -5.710 -6.243 230 HD12 LEU 40 2HD1 LEU 40 -6.618 -4.127 -5.941 231 HD13 LEU 40 3HD1 LEU 40 -7.564 -5.505 -6.515 232 HD21 LEU 40 3HD2 LEU 40 -4.964 -5.131 -3.988 233 HD22 LEU 40 1HD2 LEU 40 -5.813 -5.953 -2.689 234 HD23 LEU 40 2HD2 LEU 40 -6.158 -4.250 -3.011 235 H TYR 41 H TYR 41 -10.201 -4.713 -1.677 236 HA TYR 41 HA TYR 41 -12.978 -4.541 -2.702 237 HB3 TYR 41 2HB TYR 41 -13.734 -4.697 -0.324 238 HD1 TYR 41 1HD TYR 41 -11.136 -7.303 -1.278 239 HD2 TYR 41 2HD TYR 41 -15.297 -6.404 -0.565 240 HE1 TYR 41 1HE TYR 41 -11.724 -9.544 -1.996 241 HE2 TYR 41 2HE TYR 41 -15.889 -8.725 -1.081 242 HH TYR 41 HH TYR 41 -15.086 -10.810 -1.795 243 H ASN 42 H ASN 42 -14.064 -2.739 -2.025 244 HA ASN 42 HA ASN 42 -12.371 -0.381 -1.930 245 HB3 ASN 42 2HB ASN 42 -14.365 -0.689 -3.528 246 HD21 ASN 42 1HD2 ASN 42 -16.168 -2.008 -2.616 247 HD22 ASN 42 2HD2 ASN 42 -17.550 -1.047 -2.168 248 H ASP 43 H ASP 43 -14.607 1.237 -0.440 249 HA ASP 43 HA ASP 43 -13.759 0.349 2.266 250 HB3 ASP 43 2HB ASP 43 -13.067 2.731 1.202 251 H LYS 44 H LYS 44 -16.256 -0.006 0.296 252 HA LYS 44 HA LYS 44 -18.429 0.575 2.242 253 HB3 LYS 44 2HB LYS 44 -19.885 0.315 0.197 254 HG3 LYS 44 2HG LYS 44 -18.686 2.412 -1.012 255 HD3 LYS 44 2HD LYS 44 -19.507 3.707 1.267 256 HE3 LYS 44 2HE LYS 44 -21.098 2.496 -1.022 257 HZ1 LYS 44 3HZ LYS 44 -22.076 4.555 0.857 258 HZ2 LYS 44 1HZ LYS 44 -22.561 2.999 0.843 259 HZ3 LYS 44 2HZ LYS 44 -22.871 3.952 -0.455 260 H GLY 45 H GLY 45 -16.455 -1.995 1.313 261 HA2 GLY 45 1HA GLY 45 -16.587 -4.041 2.202 262 HA3 GLY 45 2HA GLY 45 -18.342 -3.962 2.377 263 H GLU 46 H GLU 46 -17.143 -3.000 -0.751 264 HA GLU 46 HA GLU 46 -18.108 -5.599 -1.860 265 HB3 GLU 46 2HB GLU 46 -18.767 -4.133 -3.886 266 HG3 GLU 46 2HG GLU 46 -20.811 -3.156 -2.578 267 H TYR 47 H TYR 47 -17.097 -6.474 -3.413 268 HA TYR 47 HA TYR 47 -14.247 -6.087 -3.821 269 HB3 TYR 47 2HB TYR 47 -16.414 -7.895 -4.862 270 HD1 TYR 47 2HD TYR 47 -12.663 -8.008 -5.196 271 HD2 TYR 47 1HD TYR 47 -16.505 -8.308 -7.123 272 HE1 TYR 47 2HE TYR 47 -11.567 -8.819 -7.263 273 HE2 TYR 47 1HE TYR 47 -15.420 -9.145 -9.187 274 HH TYR 47 HH TYR 47 -13.349 -10.381 -9.769 275 H ILE 48 H ILE 48 -13.225 -5.034 -5.464 276 HA ILE 48 HA ILE 48 -14.827 -3.921 -7.721 277 HB ILE 48 HB ILE 48 -13.471 -1.796 -7.410 278 HG13 ILE 48 2HG1 ILE 48 -11.981 -2.896 -5.589 279 HG21 ILE 48 1HG2 ILE 48 -15.581 -2.451 -5.285 280 HG22 ILE 48 2HG2 ILE 48 -15.202 -0.842 -5.947 281 HG23 ILE 48 3HG2 ILE 48 -15.935 -2.067 -6.974 282 HD11 ILE 48 3HD1 ILE 48 -11.741 -0.564 -6.177 283 HD12 ILE 48 1HD1 ILE 48 -13.188 -0.105 -5.291 284 HD13 ILE 48 2HD1 ILE 48 -11.771 -0.676 -4.403 285 H GLY 49 H GLY 49 -13.066 -6.229 -7.570 286 HA2 GLY 49 1HA GLY 49 -11.986 -7.024 -9.562 287 HA3 GLY 49 2HA GLY 49 -11.289 -5.428 -9.828 288 H ASP 50 H ASP 50 -9.576 -7.373 -9.983 289 HA ASP 50 HA ASP 50 -8.115 -7.572 -7.401 290 HB3 ASP 50 2HB ASP 50 -8.658 -9.675 -8.495 291 H SER 51 H SER 51 -8.207 -5.339 -9.719 292 HA SER 51 HA SER 51 -5.572 -4.355 -9.118 293 HB3 SER 51 2HB SER 51 -4.918 -5.978 -10.732 294 HG SER 51 HG SER 51 -6.902 -4.848 -12.351 295 H TYR 52 H TYR 52 -5.836 -2.103 -9.033 296 HA TYR 52 HA TYR 52 -6.992 -0.667 -11.246 297 HB3 TYR 52 2HB TYR 52 -9.087 -1.341 -10.326 298 HD1 TYR 52 1HD TYR 52 -8.293 0.835 -7.432 299 HD2 TYR 52 2HD TYR 52 -9.170 -3.174 -8.789 300 HE1 TYR 52 1HE TYR 52 -8.939 0.225 -5.162 301 HE2 TYR 52 2HE TYR 52 -9.907 -3.774 -6.521 302 HH TYR 52 HH TYR 52 -9.451 -1.586 -3.692 303 H SER 53 H SER 53 -7.418 1.756 -10.296 304 HA SER 53 HA SER 53 -5.547 2.397 -8.112 305 HB3 SER 53 2HB SER 53 -4.599 3.141 -10.313 306 HG SER 53 HG SER 53 -5.526 4.580 -11.489 307 H ALA 54 H ALA 54 -6.240 4.300 -6.946 308 HA ALA 54 HA ALA 54 -8.960 5.237 -7.372 309 HB1 ALA 54 1HB ALA 54 -8.116 4.132 -4.651 310 HB2 ALA 54 2HB ALA 54 -9.679 4.837 -5.079 311 HB3 ALA 54 3HB ALA 54 -9.179 3.273 -5.771 312 H GLN 55 H GLN 55 -8.860 7.447 -7.141 313 HA GLN 55 HA GLN 55 -6.450 8.655 -5.995 314 HB3 GLN 55 2HB GLN 55 -9.009 9.780 -7.190 315 HG3 GLN 55 2HG GLN 55 -6.426 11.320 -6.909 316 HE21 GLN 55 1HE2 GLN 55 -7.733 13.699 -6.094 317 HE22 GLN 55 2HE2 GLN 55 -8.448 14.321 -7.559 318 H ILE 56 H ILE 56 -6.491 9.938 -4.125 319 HA ILE 56 HA ILE 56 -8.525 9.213 -2.105 320 HB ILE 56 HB ILE 56 -6.186 11.096 -1.722 321 HG13 ILE 56 2HG1 ILE 56 -4.709 9.423 -1.100 322 HG21 ILE 56 1HG2 ILE 56 -7.813 9.348 0.206 323 HG22 ILE 56 2HG2 ILE 56 -6.411 10.349 0.653 324 HG23 ILE 56 3HG2 ILE 56 -7.899 11.091 0.052 325 HD11 ILE 56 3HD1 ILE 56 -7.041 7.463 -1.324 326 HD12 ILE 56 1HD1 ILE 56 -5.349 6.958 -1.271 327 HD13 ILE 56 2HD1 ILE 56 -6.066 7.815 0.123 328 H ARG 57 H ARG 57 -10.394 10.394 -2.099 329 HA ARG 57 HA ARG 57 -10.243 13.354 -2.334 330 HB3 ARG 57 2HB ARG 57 -12.155 13.513 -3.610 331 HG3 ARG 57 2HG ARG 57 -10.137 12.515 -4.983 332 HD3 ARG 57 2HD ARG 57 -10.918 10.134 -4.300 333 HE ARG 57 HE ARG 57 -13.215 10.873 -5.892 334 HH11 ARG 57 1HH1 ARG 57 -11.003 8.201 -5.163 335 HH12 ARG 57 2HH1 ARG 57 -12.038 6.965 -5.809 336 HH21 ARG 57 1HH2 ARG 57 -14.721 9.187 -6.550 337 HH22 ARG 57 2HH2 ARG 57 -14.176 7.561 -6.647 338 H THR 58 H THR 58 -10.106 11.710 -0.013 339 HA THR 58 HA THR 58 -12.342 12.941 1.270 340 HB THR 58 HB THR 58 -12.486 10.792 2.792 341 HG1 THR 58 1HG THR 58 -11.725 9.643 0.298 342 HG21 THR 58 3HG2 THR 58 -14.350 9.952 1.544 343 HG22 THR 58 1HG2 THR 58 -13.739 10.634 0.030 344 HG23 THR 58 2HG2 THR 58 -14.304 11.714 1.320 345 H ALA 59 H ALA 59 -11.764 13.168 3.719 346 HA ALA 59 HA ALA 59 -9.005 13.940 3.965 347 HB1 ALA 59 1HB ALA 59 -9.667 14.652 6.191 348 HB2 ALA 59 2HB ALA 59 -10.938 15.079 5.038 349 HB3 ALA 59 3HB ALA 59 -11.150 13.678 6.115 350 H THR 60 H THR 60 -10.578 10.861 4.522 351 HA THR 60 HA THR 60 -8.077 9.738 5.435 352 HB THR 60 HB THR 60 -9.399 8.321 7.087 353 HG1 THR 60 1HG THR 60 -11.099 10.155 7.923 354 HG21 THR 60 3HG2 THR 60 -7.784 10.173 7.720 355 HG22 THR 60 1HG2 THR 60 -8.989 9.728 8.933 356 HG23 THR 60 2HG2 THR 60 -9.187 11.212 7.965 357 H MET 61 H MET 61 -7.948 7.517 4.758 358 HA MET 61 HA MET 61 -10.235 6.369 3.335 359 HB3 MET 61 2HB MET 61 -7.967 5.709 1.764 360 HG3 MET 61 2HG MET 61 -8.979 7.236 0.149 361 HE1 MET 61 3HE MET 61 -9.100 4.138 0.833 362 HE2 MET 61 1HE MET 61 -10.426 3.700 -0.280 363 HE3 MET 61 2HE MET 61 -9.216 4.916 -0.735 364 H SER 62 H SER 62 -9.701 4.176 2.683 365 HA SER 62 HA SER 62 -7.640 2.702 3.927 366 HB3 SER 62 2HB SER 62 -8.961 3.010 5.950 367 HG SER 62 HG SER 62 -11.041 3.213 4.744 368 H CYS 63 H CYS 63 -7.644 0.468 3.228 369 HA CYS 63 HA CYS 63 -9.562 -0.357 1.150 370 HB3 CYS 63 2HB CYS 63 -7.725 -0.823 -0.461 371 HG CYS 63 HG CYS 63 -8.976 1.451 -0.727 372 H CYS 64 H CYS 64 -9.601 -2.705 0.979 373 HA CYS 64 HA CYS 64 -7.626 -4.184 2.570 374 HB3 CYS 64 2HB CYS 64 -9.339 -3.722 4.259 375 HG CYS 64 HG CYS 64 -11.420 -2.913 3.302 376 H THR 65 H THR 65 -8.356 -6.647 2.452 377 HA THR 65 HA THR 65 -8.973 -7.237 -0.392 378 HB THR 65 HB THR 65 -7.099 -8.675 -0.480 379 HG1 THR 65 1HG THR 65 -6.921 -9.544 1.534 380 HG21 THR 65 3HG2 THR 65 -6.781 -6.170 -0.727 381 HG22 THR 65 1HG2 THR 65 -5.326 -7.131 -0.451 382 HG23 THR 65 2HG2 THR 65 -6.021 -6.195 0.876 383 H ASN 66 H ASN 66 -8.723 -9.990 -0.270 384 HA ASN 66 HA ASN 66 -10.776 -10.846 1.694 385 HB3 ASN 66 2HB ASN 66 -11.544 -11.176 -0.657 386 HD21 ASN 66 1HD2 ASN 66 -9.339 -10.839 -2.244 387 HD22 ASN 66 2HD2 ASN 66 -8.720 -12.366 -2.775 388 H GLY 67 H GLY 67 -9.898 -13.695 1.220 389 HA2 GLY 67 1HA GLY 67 -7.408 -13.635 2.827 390 HA3 GLY 67 2HA GLY 67 -8.604 -14.911 2.789 391 H ASN 68 H ASN 68 -7.257 -13.209 -0.052 392 HA ASN 68 HA ASN 68 -5.633 -15.576 -0.832 393 HB3 ASN 68 2HB ASN 68 -6.452 -15.174 -3.214 394 HD21 ASN 68 1HD2 ASN 68 -9.447 -15.539 -1.334 395 HD22 ASN 68 2HD2 ASN 68 -9.512 -17.294 -1.580 396 H ALA 69 H ALA 69 -3.845 -14.291 -0.238 397 HA ALA 69 HA ALA 69 -2.741 -12.833 -2.319 398 HB1 ALA 69 1HB ALA 69 -2.440 -10.610 -1.490 399 HB2 ALA 69 2HB ALA 69 -4.175 -10.906 -1.369 400 HB3 ALA 69 3HB ALA 69 -3.161 -10.999 0.075 401 H PHE 70 H PHE 70 -0.524 -12.126 -1.815 402 HA PHE 70 HA PHE 70 0.571 -12.980 0.837 403 HB3 PHE 70 2HB PHE 70 2.726 -13.308 -0.434 404 HD1 PHE 70 2HD PHE 70 1.863 -15.052 1.308 405 HD2 PHE 70 1HD PHE 70 0.834 -15.077 -2.881 406 HE1 PHE 70 2HE PHE 70 1.148 -17.409 1.509 407 HE2 PHE 70 1HE PHE 70 0.362 -17.493 -2.728 408 HZ PHE 70 HZ PHE 70 0.383 -18.658 -0.507 409 H PHE 71 H PHE 71 0.098 -10.302 -1.347 410 HA PHE 71 HA PHE 71 1.391 -8.597 0.574 411 HB3 PHE 71 2HB PHE 71 3.284 -9.220 -1.036 412 HD1 PHE 71 1HD PHE 71 2.522 -10.471 -3.085 413 HD2 PHE 71 2HD PHE 71 2.262 -6.166 -2.760 414 HE1 PHE 71 1HE PHE 71 2.365 -10.259 -5.552 415 HE2 PHE 71 2HE PHE 71 1.980 -6.000 -5.212 416 HZ PHE 71 HZ PHE 71 2.053 -8.046 -6.620 417 H MET 72 H MET 72 0.885 -6.316 0.012 418 HA MET 72 HA MET 72 -1.076 -5.865 -2.103 419 HB3 MET 72 2HB MET 72 -1.167 -4.522 0.608 420 HG3 MET 72 2HG MET 72 -3.428 -4.944 -1.371 421 HE1 MET 72 3HE MET 72 -4.994 -2.335 -0.774 422 HE2 MET 72 1HE MET 72 -5.894 -3.861 -0.703 423 HE3 MET 72 2HE MET 72 -6.021 -2.685 0.635 424 H THR 73 H THR 73 -0.681 -3.628 -2.924 425 HA THR 73 HA THR 73 1.514 -2.170 -1.573 426 HB THR 73 HB THR 73 2.544 -3.272 -3.507 427 HG1 THR 73 1HG THR 73 3.628 -1.489 -3.928 428 HG21 THR 73 3HG2 THR 73 0.586 -1.671 -5.226 429 HG22 THR 73 1HG2 THR 73 0.612 -3.440 -5.054 430 HG23 THR 73 2HG2 THR 73 1.974 -2.605 -5.806 431 H CYS 74 H CYS 74 1.368 0.025 -1.724 432 HA CYS 74 HA CYS 74 -0.925 1.221 -3.096 433 HB3 CYS 74 2HB CYS 74 -0.274 2.494 -0.469 434 HG CYS 74 HG CYS 74 -2.162 3.202 -2.443 435 H ALA 75 H ALA 75 0.564 1.745 -4.682 436 HA ALA 75 HA ALA 75 2.677 3.726 -4.030 437 HB1 ALA 75 1HB ALA 75 4.029 2.699 -5.818 438 HB2 ALA 75 2HB ALA 75 3.680 1.512 -4.538 439 HB3 ALA 75 3HB ALA 75 2.785 1.455 -6.074 440 H GLY 76 H GLY 76 2.611 5.546 -5.408 441 HA2 GLY 76 1HA GLY 76 0.513 5.609 -7.526 442 HA3 GLY 76 2HA GLY 76 0.297 6.508 -5.997 443 H SER 77 H SER 77 0.178 8.419 -7.177 444 HA SER 77 HA SER 77 2.723 9.705 -6.862 445 HB3 SER 77 2HB SER 77 2.942 9.354 -9.192 446 HG SER 77 HG SER 77 1.419 9.360 -10.607 447 H VAL 78 H VAL 78 2.356 12.115 -6.839 448 HA VAL 78 HA VAL 78 -0.443 12.961 -6.511 449 HB VAL 78 HB VAL 78 0.204 12.466 -4.280 450 HG11 VAL 78 1HG1 VAL 78 2.112 13.274 -3.090 451 HG12 VAL 78 2HG1 VAL 78 2.723 12.480 -4.548 452 HG13 VAL 78 3HG1 VAL 78 2.659 14.259 -4.474 453 HG21 VAL 78 3HG2 VAL 78 -1.010 14.635 -4.676 454 HG22 VAL 78 1HG2 VAL 78 -0.069 14.596 -3.170 455 HG23 VAL 78 2HG2 VAL 78 0.543 15.474 -4.573 456 H SER 79 H SER 79 -0.772 15.150 -7.279 457 HA SER 79 HA SER 79 1.661 16.669 -7.918 458 HB3 SER 79 2HB SER 79 0.773 17.119 -10.196 459 HG SER 79 HG SER 79 0.870 14.759 -10.881 460 H SER 80 H SER 80 1.147 18.904 -8.476 461 HA SER 80 HA SER 80 -1.556 19.875 -7.933 462 HB3 SER 80 2HB SER 80 0.932 20.856 -6.501 463 HG SER 80 HG SER 80 -0.622 22.486 -5.753 464 H ILE 81 H ILE 81 -1.836 21.948 -8.910 465 HA ILE 81 HA ILE 81 0.124 22.971 -10.846 466 HB ILE 81 HB ILE 81 -1.763 23.359 -12.462 467 HG13 ILE 81 2HG1 ILE 81 -3.532 22.871 -10.590 468 HG21 ILE 81 1HG2 ILE 81 -1.724 21.073 -13.421 469 HG22 ILE 81 2HG2 ILE 81 -0.137 21.610 -12.874 470 HG23 ILE 81 3HG2 ILE 81 -1.048 20.453 -11.905 471 HD11 ILE 81 3HD1 ILE 81 -3.871 21.794 -13.383 472 HD12 ILE 81 1HD1 ILE 81 -5.163 22.021 -12.183 473 HD13 ILE 81 2HD1 ILE 81 -4.237 23.427 -12.763 474 H SER 82 H SER 82 -0.945 23.586 -8.078 475 HA SER 82 HA SER 82 -2.537 26.013 -8.400 476 HB3 SER 82 2HB SER 82 -1.245 25.019 -5.845 477 HG SER 82 HG SER 82 -3.572 26.501 -6.535 478 H GLU 83 H GLU 83 -1.622 27.599 -6.658 479 HA GLU 83 HA GLU 83 0.789 28.876 -7.725 480 HB3 GLU 83 2HB GLU 83 0.171 30.684 -6.187 481 HG3 GLU 83 2HG GLU 83 -2.338 29.525 -7.489 482 H ALA 84 H ALA 84 2.386 29.634 -6.088 483 HA ALA 84 HA ALA 84 3.456 27.667 -4.368 484 HB1 ALA 84 1HB ALA 84 4.661 29.687 -5.361 485 HB2 ALA 84 2HB ALA 84 3.776 30.710 -4.219 486 HB3 ALA 84 3HB ALA 84 4.923 29.508 -3.610 487 H GLY 85 H GLY 85 3.862 27.862 -2.113 488 HA2 GLY 85 1HA GLY 85 3.535 28.518 0.045 489 HA3 GLY 85 2HA GLY 85 2.170 29.522 -0.442 490 H LYS 86 H LYS 86 1.404 26.599 -1.783 491 HA LYS 86 HA LYS 86 -0.628 26.061 0.276 492 HB3 LYS 86 2HB LYS 86 -1.494 24.524 -1.467 493 HG3 LYS 86 2HG LYS 86 -1.800 25.956 -3.434 494 HD3 LYS 86 2HD LYS 86 -2.036 28.297 -1.912 495 HE3 LYS 86 2HE LYS 86 -3.743 27.134 -3.442 496 HZ1 LYS 86 3HZ LYS 86 -4.092 25.101 -2.198 497 HZ2 LYS 86 1HZ LYS 86 -5.465 25.899 -2.218 498 HZ3 LYS 86 2HZ LYS 86 -4.573 25.917 -0.852 499 H ARG 87 H ARG 87 -0.572 24.168 1.656 500 HA ARG 87 HA ARG 87 1.941 22.558 1.492 501 HB3 ARG 87 2HB ARG 87 2.075 22.653 3.920 502 HG3 ARG 87 2HG ARG 87 1.610 25.509 2.941 503 HD3 ARG 87 2HD ARG 87 3.316 26.071 4.607 504 HE ARG 87 HE ARG 87 0.722 25.253 5.282 505 HH11 ARG 87 1HH1 ARG 87 3.864 25.818 6.869 506 HH12 ARG 87 2HH1 ARG 87 3.131 26.346 8.360 507 HH21 ARG 87 1HH2 ARG 87 -0.155 25.540 7.445 508 HH22 ARG 87 2HH2 ARG 87 0.902 26.048 8.727 509 H LEU 88 H LEU 88 1.737 20.365 1.819 510 HA LEU 88 HA LEU 88 -0.951 19.262 2.264 511 HB3 LEU 88 2HB LEU 88 1.094 18.112 0.334 512 HG LEU 88 HG LEU 88 -0.878 16.703 1.054 513 HD11 LEU 88 1HD1 LEU 88 -3.120 17.149 0.422 514 HD12 LEU 88 2HD1 LEU 88 -2.650 18.359 -0.788 515 HD13 LEU 88 3HD1 LEU 88 -2.499 18.784 0.882 516 HD21 LEU 88 3HD2 LEU 88 -1.559 15.970 -1.211 517 HD22 LEU 88 1HD2 LEU 88 0.152 16.015 -0.960 518 HD23 LEU 88 2HD2 LEU 88 -0.632 17.325 -1.892 519 H HIS 89 H HIS 89 -0.711 16.973 3.052 520 HA HIS 89 HA HIS 89 1.720 16.185 4.389 521 HB3 HIS 89 2HB HIS 89 -0.644 17.167 6.045 522 HD1 HIS 89 1HD HIS 89 2.326 18.087 7.750 523 HD2 HIS 89 2HD HIS 89 0.414 14.372 7.020 524 HE1 HIS 89 1HE HIS 89 3.071 16.495 9.598 525 H ILE 90 H ILE 90 1.488 14.086 3.786 526 HA ILE 90 HA ILE 90 -1.230 12.855 3.761 527 HB ILE 90 HB ILE 90 1.029 12.437 1.794 528 HG13 ILE 90 2HG1 ILE 90 -0.110 14.349 1.098 529 HG21 ILE 90 1HG2 ILE 90 -1.605 10.907 1.959 530 HG22 ILE 90 2HG2 ILE 90 -0.353 10.726 0.708 531 HG23 ILE 90 3HG2 ILE 90 0.006 10.245 2.341 532 HD11 ILE 90 3HD1 ILE 90 -0.271 12.647 -0.756 533 HD12 ILE 90 1HD1 ILE 90 -1.920 12.268 -0.162 534 HD13 ILE 90 2HD1 ILE 90 -1.551 13.879 -0.758 535 H THR 91 H THR 91 -1.338 10.788 4.615 536 HA THR 91 HA THR 91 1.104 9.732 5.923 537 HB THR 91 HB THR 91 -1.600 10.329 7.173 538 HG1 THR 91 1HG THR 91 -0.516 11.904 8.212 539 HG21 THR 91 3HG2 THR 91 0.862 8.962 8.345 540 HG22 THR 91 1HG2 THR 91 -0.772 8.308 8.232 541 HG23 THR 91 2HG2 THR 91 -0.446 9.679 9.314 542 H VAL 92 H VAL 92 1.144 7.542 6.081 543 HA VAL 92 HA VAL 92 -0.793 5.948 4.526 544 HB VAL 92 HB VAL 92 1.503 5.131 3.393 545 HG11 VAL 92 1HG1 VAL 92 -0.433 5.599 2.136 546 HG12 VAL 92 2HG1 VAL 92 -0.312 7.358 2.433 547 HG13 VAL 92 3HG1 VAL 92 0.875 6.516 1.397 548 HG21 VAL 92 3HG2 VAL 92 1.930 8.147 3.395 549 HG22 VAL 92 1HG2 VAL 92 2.847 7.027 4.404 550 HG23 VAL 92 2HG2 VAL 92 2.935 6.890 2.641 551 H ILE 93 H ILE 93 -1.240 4.230 5.705 552 HA ILE 93 HA ILE 93 0.830 3.051 7.492 553 HB ILE 93 HB ILE 93 -2.108 3.584 8.047 554 HG13 ILE 93 2HG1 ILE 93 -0.640 5.671 8.097 555 HG21 ILE 93 1HG2 ILE 93 0.054 2.435 9.870 556 HG22 ILE 93 2HG2 ILE 93 -1.607 2.801 10.358 557 HG23 ILE 93 3HG2 ILE 93 -1.302 1.535 9.179 558 HD11 ILE 93 3HD1 ILE 93 -1.691 4.984 10.833 559 HD12 ILE 93 1HD1 ILE 93 -1.483 6.581 10.081 560 HD13 ILE 93 2HD1 ILE 93 -2.717 5.464 9.456 561 H GLY 94 H GLY 94 0.685 0.787 7.702 562 HA2 GLY 94 1HA GLY 94 -1.090 -0.605 5.744 563 HA3 GLY 94 2HA GLY 94 0.654 -0.897 5.734 564 H TYR 95 H TYR 95 -1.800 -2.598 6.323 565 HA TYR 95 HA TYR 95 -1.223 -3.504 9.083 566 HB3 TYR 95 2HB TYR 95 -3.753 -3.842 9.139 567 HD1 TYR 95 2HD TYR 95 -2.986 -2.795 11.267 568 HD2 TYR 95 1HD TYR 95 -3.971 -0.526 7.744 569 HE1 TYR 95 2HE TYR 95 -3.162 -0.763 12.660 570 HE2 TYR 95 1HE TYR 95 -4.119 1.537 9.148 571 HH TYR 95 HH TYR 95 -4.017 2.449 11.353 572 H ILE 96 H ILE 96 -1.438 -5.752 9.437 573 HA ILE 96 HA ILE 96 -2.356 -7.508 7.237 574 HB ILE 96 HB ILE 96 0.318 -7.730 8.690 575 HG13 ILE 96 2HG1 ILE 96 0.363 -6.142 6.787 576 HG21 ILE 96 1HG2 ILE 96 0.707 -9.824 7.522 577 HG22 ILE 96 2HG2 ILE 96 -0.826 -9.969 8.346 578 HG23 ILE 96 3HG2 ILE 96 -0.781 -9.634 6.589 579 HD11 ILE 96 3HD1 ILE 96 1.737 -8.618 5.753 580 HD12 ILE 96 1HD1 ILE 96 2.266 -6.924 5.785 581 HD13 ILE 96 2HD1 ILE 96 2.265 -7.852 7.277 582 H ASP 97 H ASP 97 -3.918 -8.710 8.227 583 HA ASP 97 HA ASP 97 -5.240 -9.579 9.856 584 HB3 ASP 97 2HB ASP 97 -2.625 -10.962 10.440 585 H ASP 98 H ASP 98 -5.646 -7.588 10.855 586 HA ASP 98 HA ASP 98 -5.787 -6.032 12.457 587 HB3 ASP 98 2HB ASP 98 -6.414 -7.097 14.657 588 H LYS 99 H LYS 99 -2.852 -6.664 11.882 589 HA LYS 99 HA LYS 99 -1.951 -5.039 14.191 590 HB3 LYS 99 2HB LYS 99 0.386 -5.982 13.650 591 HG3 LYS 99 2HG LYS 99 0.055 -8.222 14.628 592 HD3 LYS 99 2HD LYS 99 0.611 -6.679 16.288 593 HE3 LYS 99 2HE LYS 99 -2.269 -5.752 16.132 594 HZ1 LYS 99 3HZ LYS 99 -1.889 -6.005 18.423 595 HZ2 LYS 99 1HZ LYS 99 -1.711 -4.425 18.116 596 HZ3 LYS 99 2HZ LYS 99 -0.367 -5.377 18.362 597 H GLU 100 H GLU 100 -0.152 -3.723 13.694 598 HA GLU 100 HA GLU 100 -0.392 -2.425 11.000 599 HB3 GLU 100 2HB GLU 100 0.816 -1.212 13.521 600 HG3 GLU 100 2HG GLU 100 -0.435 0.556 11.527 601 H VAL 101 H VAL 101 1.442 -2.450 9.730 602 HA VAL 101 HA VAL 101 3.987 -3.507 10.891 603 HB VAL 101 HB VAL 101 4.166 -5.006 8.990 604 HG11 VAL 101 1HG1 VAL 101 1.506 -5.463 10.446 605 HG12 VAL 101 2HG1 VAL 101 2.535 -6.681 9.671 606 HG13 VAL 101 3HG1 VAL 101 3.109 -5.820 11.106 607 HG21 VAL 101 3HG2 VAL 101 2.699 -3.626 7.420 608 HG22 VAL 101 1HG2 VAL 101 2.444 -5.359 7.404 609 HG23 VAL 101 2HG2 VAL 101 1.287 -4.310 8.258 610 H ASN 102 H ASN 102 2.642 -0.859 9.334 611 HA ASN 102 HA ASN 102 5.225 0.171 8.969 612 HB3 ASN 102 2HB ASN 102 4.094 0.941 6.444 613 HD21 ASN 102 1HD2 ASN 102 5.351 -1.021 4.825 614 HD22 ASN 102 2HD2 ASN 102 7.060 -1.103 5.099 615 H ARG 103 H ARG 103 5.120 2.455 8.860 616 HA ARG 103 HA ARG 103 2.702 3.854 8.194 617 HB3 ARG 103 2HB ARG 103 3.535 3.442 11.067 618 HG3 ARG 103 2HG ARG 103 1.829 5.463 11.435 619 HD3 ARG 103 2HD ARG 103 4.791 5.265 11.467 620 HE ARG 103 HE ARG 103 3.504 7.860 11.110 621 HH11 ARG 103 1HH1 ARG 103 6.069 6.415 13.028 622 HH12 ARG 103 2HH1 ARG 103 7.229 7.644 12.709 623 HH21 ARG 103 1HH2 ARG 103 4.807 9.623 11.044 624 HH22 ARG 103 2HH2 ARG 103 6.509 9.584 11.434 625 H LEU 104 H LEU 104 3.422 5.451 7.044 626 HA LEU 104 HA LEU 104 5.679 7.017 8.134 627 HB3 LEU 104 2HB LEU 104 6.574 5.448 6.460 628 HG LEU 104 HG LEU 104 4.552 5.787 4.800 629 HD11 LEU 104 1HD1 LEU 104 5.316 7.228 2.849 630 HD12 LEU 104 2HD1 LEU 104 6.617 7.859 3.859 631 HD13 LEU 104 3HD1 LEU 104 4.936 8.197 4.268 632 HD21 LEU 104 3HD2 LEU 104 6.058 4.992 2.977 633 HD22 LEU 104 1HD2 LEU 104 6.319 4.165 4.531 634 HD23 LEU 104 2HD2 LEU 104 7.459 5.422 3.988 635 H GLU 105 H GLU 105 5.858 9.115 6.893 636 HA GLU 105 HA GLU 105 3.243 10.258 6.089 637 HB3 GLU 105 2HB GLU 105 4.330 12.379 7.322 638 HG3 GLU 105 2HG GLU 105 2.482 10.329 8.187 639 H LYS 106 H LYS 106 3.510 12.338 4.983 640 HA LYS 106 HA LYS 106 6.166 13.083 4.233 641 HB3 LYS 106 2HB LYS 106 4.197 12.909 1.959 642 HG3 LYS 106 2HG LYS 106 6.528 14.006 1.744 643 HD3 LYS 106 2HD LYS 106 7.773 12.204 3.040 644 HE3 LYS 106 2HE LYS 106 6.822 10.620 0.658 645 HZ1 LYS 106 3HZ LYS 106 8.723 9.270 0.679 646 HZ2 LYS 106 1HZ LYS 106 9.411 10.049 1.987 647 HZ3 LYS 106 2HZ LYS 106 9.230 10.794 0.513 648 H GLU 107 H GLU 107 5.998 15.291 3.057 649 HA GLU 107 HA GLU 107 3.521 16.707 3.399 650 HB3 GLU 107 2HB GLU 107 4.991 17.296 5.239 651 HG3 GLU 107 2HG GLU 107 7.087 18.576 3.623 652 H TYR 108 H TYR 108 3.383 18.362 1.696 653 HA TYR 108 HA TYR 108 5.704 18.616 -0.059 654 HB3 TYR 108 2HB TYR 108 4.543 18.439 -2.087 655 HD1 TYR 108 1HD TYR 108 6.125 16.467 -1.970 656 HD2 TYR 108 2HD TYR 108 2.106 16.346 -0.548 657 HE1 TYR 108 1HE TYR 108 6.209 13.987 -2.003 658 HE2 TYR 108 2HE TYR 108 2.134 13.846 -0.514 659 HH TYR 108 HH TYR 108 5.130 12.027 -1.377 660 H ILE 109 H ILE 109 5.730 20.729 -1.141 661 HA ILE 109 HA ILE 109 3.637 22.604 -0.374 662 HB ILE 109 HB ILE 109 6.534 23.209 0.290 663 HG13 ILE 109 2HG1 ILE 109 5.754 21.655 1.943 664 HG21 ILE 109 1HG2 ILE 109 5.674 25.315 1.235 665 HG22 ILE 109 2HG2 ILE 109 5.334 25.185 -0.464 666 HG23 ILE 109 3HG2 ILE 109 4.027 24.879 0.689 667 HD11 ILE 109 3HD1 ILE 109 7.054 23.615 2.796 668 HD12 ILE 109 1HD1 ILE 109 5.507 24.376 3.255 669 HD13 ILE 109 2HD1 ILE 109 5.985 22.832 3.988 670 H THR 110 H THR 110 3.289 24.072 -2.040 671 HA THR 110 HA THR 110 4.870 23.835 -4.476 672 HB THR 110 HB THR 110 3.191 25.700 -5.165 673 HG1 THR 110 1HG THR 110 1.512 26.027 -3.951 674 HG21 THR 110 3HG2 THR 110 2.866 23.360 -5.843 675 HG22 THR 110 1HG2 THR 110 1.327 24.136 -5.444 676 HG23 THR 110 2HG2 THR 110 2.061 23.002 -4.290 677 H ASP 111 H ASP 111 6.456 25.174 -5.122 678 HA ASP 111 HA ASP 111 6.515 27.896 -4.052 679 HB3 ASP 111 2HB ASP 111 9.184 26.508 -4.399 680 H GLY 112 H GLY 112 5.132 27.633 -6.127 681 HA2 GLY 112 1HA GLY 112 4.966 28.848 -7.993 682 HA3 GLY 112 2HA GLY 112 6.684 29.207 -7.896 683 H ASN 113 H ASN 113 5.928 25.799 -7.976 684 HA ASN 113 HA ASN 113 6.219 25.600 -10.899 685 HB3 ASN 113 2HB ASN 113 7.659 23.536 -10.162 686 HD21 ASN 113 1HD2 ASN 113 9.542 26.032 -8.690 687 HD22 ASN 113 2HD2 ASN 113 10.261 26.623 -10.204 688 H THR 114 H THR 114 5.616 23.456 -11.656 689 HA THR 114 HA THR 114 3.255 22.494 -10.447 690 HB THR 114 HB THR 114 4.228 20.512 -12.228 691 HG1 THR 114 1HG THR 114 5.017 21.604 -13.917 692 HG21 THR 114 3HG2 THR 114 2.559 21.534 -13.768 693 HG22 THR 114 1HG2 THR 114 2.534 23.024 -12.793 694 HG23 THR 114 2HG2 THR 114 1.936 21.513 -12.108 695 H LEU 115 H LEU 115 3.259 21.545 -8.537 696 HA LEU 115 HA LEU 115 5.453 19.958 -7.536 697 HB3 LEU 115 2HB LEU 115 2.579 19.687 -6.609 698 HG LEU 115 HG LEU 115 5.246 19.019 -5.578 699 HD11 LEU 115 1HD1 LEU 115 4.675 21.249 -4.408 700 HD12 LEU 115 2HD1 LEU 115 5.194 19.887 -3.447 701 HD13 LEU 115 3HD1 LEU 115 3.450 20.322 -3.517 702 HD21 LEU 115 3HD2 LEU 115 3.995 17.490 -4.163 703 HD22 LEU 115 1HD2 LEU 115 3.338 17.418 -5.804 704 HD23 LEU 115 2HD2 LEU 115 2.473 18.311 -4.542 705 H ILE 116 H ILE 116 5.834 17.821 -7.720 706 HA ILE 116 HA ILE 116 3.768 15.963 -8.415 707 HB ILE 116 HB ILE 116 6.172 16.177 -10.278 708 HG13 ILE 116 2HG1 ILE 116 4.594 17.793 -10.845 709 HG21 ILE 116 1HG2 ILE 116 5.027 14.176 -11.391 710 HG22 ILE 116 2HG2 ILE 116 5.602 13.842 -9.763 711 HG23 ILE 116 3HG2 ILE 116 3.869 14.160 -10.047 712 HD11 ILE 116 3HD1 ILE 116 4.035 15.600 -12.841 713 HD12 ILE 116 1HD1 ILE 116 4.218 17.339 -13.114 714 HD13 ILE 116 2HD1 ILE 116 5.634 16.375 -12.704 715 H GLU 117 H GLU 117 4.277 14.132 -7.437 716 HA GLU 117 HA GLU 117 6.982 13.389 -6.586 717 HB3 GLU 117 2HB GLU 117 5.521 13.339 -4.133 718 HG3 GLU 117 2HG GLU 117 7.353 15.080 -3.571 719 H THR 118 H THR 118 6.997 11.311 -5.340 720 HA THR 118 HA THR 118 4.549 9.668 -5.649 721 HB THR 118 HB THR 118 5.836 7.775 -6.488 722 HG1 THR 118 1HG THR 118 7.984 9.454 -6.210 723 HG21 THR 118 3HG2 THR 118 6.061 8.424 -8.811 724 HG22 THR 118 1HG2 THR 118 6.021 10.143 -8.357 725 HG23 THR 118 2HG2 THR 118 4.616 9.115 -8.073 726 H PHE 119 H PHE 119 4.441 7.866 -4.299 727 HA PHE 119 HA PHE 119 6.495 7.472 -2.223 728 HB3 PHE 119 2HB PHE 119 5.069 9.079 -1.136 729 HD1 PHE 119 2HD PHE 119 2.595 6.253 -1.149 730 HD2 PHE 119 1HD PHE 119 3.403 10.303 -2.414 731 HE1 PHE 119 2HE PHE 119 0.252 6.499 -1.915 732 HE2 PHE 119 1HE PHE 119 1.056 10.527 -3.181 733 HZ PHE 119 HZ PHE 119 -0.533 8.637 -2.873 734 H SER 120 H SER 120 5.739 5.428 -0.846 735 HA SER 120 HA SER 120 3.930 3.605 -2.177 736 HB3 SER 120 2HB SER 120 6.922 3.495 -2.537 737 HG SER 120 HG SER 120 6.185 1.264 -3.422 738 H VAL 121 H VAL 121 3.370 1.948 -0.862 739 HA VAL 121 HA VAL 121 4.849 1.291 1.582 740 HB VAL 121 HB VAL 121 2.005 2.391 1.454 741 HG11 VAL 121 1HG1 VAL 121 1.681 1.881 3.785 742 HG12 VAL 121 2HG1 VAL 121 1.876 0.383 2.862 743 HG13 VAL 121 3HG1 VAL 121 3.232 0.993 3.861 744 HG21 VAL 121 3HG2 VAL 121 3.016 3.688 3.505 745 HG22 VAL 121 1HG2 VAL 121 4.561 3.129 2.921 746 HG23 VAL 121 2HG2 VAL 121 3.546 4.158 1.880 747 H SER 122 H SER 122 5.259 -0.815 1.113 748 HA SER 122 HA SER 122 3.156 -2.480 -0.176 749 HB3 SER 122 2HB SER 122 4.693 -3.419 -1.527 750 HG SER 122 HG SER 122 6.758 -1.697 -0.798 751 H THR 123 H THR 123 2.412 -4.189 1.138 752 HA THR 123 HA THR 123 3.629 -4.315 3.805 753 HB THR 123 HB THR 123 1.494 -5.926 4.017 754 HG1 THR 123 1HG THR 123 -0.042 -4.516 2.572 755 HG21 THR 123 3HG2 THR 123 0.238 -4.055 4.766 756 HG22 THR 123 1HG2 THR 123 1.212 -2.921 3.779 757 HG23 THR 123 2HG2 THR 123 1.924 -3.775 5.170 758 H LYS 124 H LYS 124 4.684 -5.929 1.152 759 HA LYS 124 HA LYS 124 5.781 -7.918 2.956 760 HB3 LYS 124 2HB LYS 124 4.982 -9.254 0.453 761 HG3 LYS 124 2HG LYS 124 5.839 -10.227 2.757 762 HD3 LYS 124 2HD LYS 124 2.815 -10.124 3.105 763 HE3 LYS 124 2HE LYS 124 3.459 -12.473 3.254 764 HZ1 LYS 124 3HZ LYS 124 5.433 -11.507 5.211 765 HZ2 LYS 124 1HZ LYS 124 5.723 -12.364 3.817 766 HZ3 LYS 124 2HZ LYS 124 4.999 -13.103 5.062 767 H GLU 125 H GLU 125 7.943 -7.673 2.566 768 HA GLU 125 HA GLU 125 8.905 -7.402 -0.180 769 HB3 GLU 125 2HB GLU 125 8.696 -5.126 0.629 770 HG3 GLU 125 2HG GLU 125 10.762 -5.730 2.777 771 H ILE 126 H ILE 126 11.379 -7.750 -0.073 772 HA ILE 126 HA ILE 126 12.230 -9.679 1.977 773 HB ILE 126 HB ILE 126 12.428 -10.326 -1.004 774 HG13 ILE 126 2HG1 ILE 126 10.028 -10.407 -0.499 775 HG21 ILE 126 1HG2 ILE 126 14.061 -11.309 0.702 776 HG22 ILE 126 2HG2 ILE 126 12.672 -12.147 1.419 777 HG23 ILE 126 3HG2 ILE 126 13.173 -12.502 -0.242 778 HD11 ILE 126 3HD1 ILE 126 10.959 -12.324 -1.882 779 HD12 ILE 126 1HD1 ILE 126 10.949 -13.294 -0.389 780 HD13 ILE 126 2HD1 ILE 126 9.443 -12.637 -1.041 Start of MODEL 4 1 H1 GLY 1 H GLY 1 10.943 -29.329 3.502 2 HA2 GLY 1 1HA GLY 1 12.760 -28.556 5.007 3 HA3 GLY 1 2HA GLY 1 12.675 -27.015 4.115 4 H ALA 2 H ALA 2 12.062 -25.816 6.036 5 HA ALA 2 HA ALA 2 9.472 -26.316 7.298 6 HB1 ALA 2 1HB ALA 2 11.252 -25.052 8.462 7 HB2 ALA 2 2HB ALA 2 11.273 -23.847 7.157 8 HB3 ALA 2 3HB ALA 2 9.844 -24.013 8.187 9 H SER 3 H SER 3 7.716 -24.597 6.977 10 HA SER 3 HA SER 3 7.797 -22.946 4.584 11 HB3 SER 3 2HB SER 3 5.613 -23.861 3.679 12 HG SER 3 HG SER 3 8.069 -25.161 3.634 13 H ASP 4 H ASP 4 7.852 -21.588 6.570 14 HA ASP 4 HA ASP 4 5.339 -21.336 8.064 15 HB3 ASP 4 2HB ASP 4 6.831 -19.083 8.621 16 H PHE 5 H PHE 5 3.669 -19.923 7.444 17 HA PHE 5 HA PHE 5 4.330 -17.529 6.047 18 HB3 PHE 5 2HB PHE 5 3.939 -18.772 4.271 19 HD1 PHE 5 1HD PHE 5 4.123 -21.017 4.594 20 HD2 PHE 5 2HD PHE 5 0.364 -19.075 4.992 21 HE1 PHE 5 1HE PHE 5 2.984 -23.255 4.305 22 HE2 PHE 5 2HE PHE 5 -0.835 -21.262 4.659 23 HZ PHE 5 HZ PHE 5 0.480 -23.344 4.280 24 H GLN 6 H GLN 6 3.440 -16.007 7.326 25 HA GLN 6 HA GLN 6 0.944 -16.524 8.797 26 HB3 GLN 6 2HB GLN 6 2.425 -16.408 10.463 27 HG3 GLN 6 2HG GLN 6 3.978 -14.244 9.039 28 HE21 GLN 6 1HE2 GLN 6 3.130 -15.606 12.161 29 HE22 GLN 6 2HE2 GLN 6 4.384 -14.848 13.105 30 H THR 7 H THR 7 -0.436 -15.759 7.558 31 HA THR 7 HA THR 7 -0.483 -12.956 6.553 32 HB THR 7 HB THR 7 -1.601 -14.037 4.466 33 HG1 THR 7 1HG THR 7 -1.826 -16.146 5.225 34 HG21 THR 7 3HG2 THR 7 0.524 -14.442 3.354 35 HG22 THR 7 1HG2 THR 7 1.366 -14.552 4.915 36 HG23 THR 7 2HG2 THR 7 0.640 -13.013 4.396 37 H GLY 8 H GLY 8 -2.969 -12.830 5.504 38 HA2 GLY 8 1HA GLY 8 -5.019 -14.305 6.649 39 HA3 GLY 8 2HA GLY 8 -4.818 -12.869 7.680 40 H ILE 9 H ILE 9 -5.314 -10.851 6.865 41 HA ILE 9 HA ILE 9 -6.004 -10.519 4.009 42 HB ILE 9 HB ILE 9 -7.443 -9.220 6.385 43 HG13 ILE 9 2HG1 ILE 9 -8.214 -11.519 4.578 44 HG21 ILE 9 1HG2 ILE 9 -8.923 -8.255 4.600 45 HG22 ILE 9 2HG2 ILE 9 -7.275 -7.653 4.558 46 HG23 ILE 9 3HG2 ILE 9 -7.791 -8.883 3.381 47 HD11 ILE 9 3HD1 ILE 9 -7.849 -12.016 6.984 48 HD12 ILE 9 1HD1 ILE 9 -9.007 -10.745 7.431 49 HD13 ILE 9 2HD1 ILE 9 -9.560 -12.188 6.565 50 H HIS 10 H HIS 10 -5.141 -8.413 3.247 51 HA HIS 10 HA HIS 10 -3.421 -6.988 5.242 52 HB3 HIS 10 2HB HIS 10 -2.219 -6.070 3.330 53 HD1 HIS 10 1HD HIS 10 -0.088 -7.140 4.208 54 HD2 HIS 10 2HD HIS 10 -2.769 -9.880 2.503 55 HE1 HIS 10 1HE HIS 10 1.161 -9.382 4.060 56 H LYS 11 H LYS 11 -3.760 -4.715 5.257 57 HA LYS 11 HA LYS 11 -5.905 -3.609 3.615 58 HB3 LYS 11 2HB LYS 11 -7.139 -2.718 5.465 59 HG3 LYS 11 2HG LYS 11 -6.812 -5.617 6.308 60 HD3 LYS 11 2HD LYS 11 -9.218 -3.742 6.116 61 HE3 LYS 11 2HE LYS 11 -9.042 -6.675 6.934 62 HZ1 LYS 11 3HZ LYS 11 -10.600 -5.496 8.293 63 HZ2 LYS 11 1HZ LYS 11 -11.457 -6.423 7.223 64 HZ3 LYS 11 2HZ LYS 11 -11.313 -4.781 7.030 65 H ILE 12 H ILE 12 -5.574 -1.306 3.326 66 HA ILE 12 HA ILE 12 -3.256 -0.202 4.738 67 HB ILE 12 HB ILE 12 -3.163 -0.880 2.198 68 HG13 ILE 12 2HG1 ILE 12 -2.387 1.700 3.488 69 HG21 ILE 12 1HG2 ILE 12 -3.760 0.846 0.607 70 HG22 ILE 12 2HG2 ILE 12 -5.217 0.150 1.384 71 HG23 ILE 12 3HG2 ILE 12 -4.606 1.758 1.852 72 HD11 ILE 12 3HD1 ILE 12 -1.114 -0.688 3.637 73 HD12 ILE 12 1HD1 ILE 12 -0.425 -0.088 2.118 74 HD13 ILE 12 2HD1 ILE 12 -0.216 0.854 3.589 75 H VAL 13 H VAL 13 -3.540 2.040 5.287 76 HA VAL 13 HA VAL 13 -6.254 3.195 4.951 77 HB VAL 13 HB VAL 13 -4.493 3.421 7.435 78 HG11 VAL 13 1HG1 VAL 13 -6.450 4.510 8.447 79 HG12 VAL 13 2HG1 VAL 13 -5.937 5.406 7.009 80 HG13 VAL 13 3HG1 VAL 13 -7.361 4.344 6.945 81 HG21 VAL 13 3HG2 VAL 13 -6.268 2.134 8.606 82 HG22 VAL 13 1HG2 VAL 13 -7.044 1.800 7.029 83 HG23 VAL 13 2HG2 VAL 13 -5.435 1.158 7.400 84 H ILE 14 H ILE 14 -6.104 5.397 4.221 85 HA ILE 14 HA ILE 14 -3.339 6.474 3.962 86 HB ILE 14 HB ILE 14 -5.623 6.684 1.970 87 HG13 ILE 14 2HG1 ILE 14 -4.512 4.361 2.031 88 HG21 ILE 14 1HG2 ILE 14 -2.758 7.705 1.909 89 HG22 ILE 14 2HG2 ILE 14 -3.860 7.711 0.510 90 HG23 ILE 14 3HG2 ILE 14 -4.258 8.672 1.916 91 HD11 ILE 14 3HD1 ILE 14 -5.600 5.446 -0.025 92 HD12 ILE 14 1HD1 ILE 14 -3.924 5.729 -0.570 93 HD13 ILE 14 2HD1 ILE 14 -4.521 4.081 -0.266 94 H GLN 15 H GLN 15 -3.311 8.777 4.243 95 HA GLN 15 HA GLN 15 -5.874 10.056 4.766 96 HB3 GLN 15 2HB GLN 15 -5.087 11.106 6.859 97 HG3 GLN 15 2HG GLN 15 -4.552 8.108 7.117 98 HE21 GLN 15 1HE2 GLN 15 -3.742 7.721 9.063 99 HE22 GLN 15 2HE2 GLN 15 -3.877 8.794 10.452 100 H GLN 16 H GLN 16 -5.534 12.472 4.870 101 HA GLN 16 HA GLN 16 -2.976 13.381 3.819 102 HB3 GLN 16 2HB GLN 16 -4.431 13.049 1.795 103 HG3 GLN 16 2HG GLN 16 -6.049 15.356 2.960 104 HE21 GLN 16 1HE2 GLN 16 -7.964 13.554 0.913 105 HE22 GLN 16 2HE2 GLN 16 -7.555 14.363 -0.592 106 H SER 17 H SER 17 -2.940 15.849 3.911 107 HA SER 17 HA SER 17 -4.975 17.299 5.247 108 HB3 SER 17 2HB SER 17 -3.301 18.144 7.074 109 HG SER 17 HG SER 17 -4.603 15.654 7.054 110 H GLY 18 H GLY 18 -4.100 19.697 5.426 111 HA2 GLY 18 1HA GLY 18 -2.601 21.369 4.559 112 HA3 GLY 18 2HA GLY 18 -2.080 20.235 3.293 113 H ASP 19 H ASP 19 -2.765 21.387 1.479 114 HA ASP 19 HA ASP 19 -5.286 22.806 1.494 115 HB3 ASP 19 2HB ASP 19 -3.269 22.487 -0.749 116 H THR 20 H THR 20 -6.632 20.936 1.861 117 HA THR 20 HA THR 20 -6.844 18.809 -0.021 118 HB THR 20 HB THR 20 -8.934 18.331 1.396 119 HG1 THR 20 1HG THR 20 -9.169 20.556 2.104 120 HG21 THR 20 3HG2 THR 20 -7.628 17.614 3.308 121 HG22 THR 20 1HG2 THR 20 -6.304 18.723 2.888 122 HG23 THR 20 2HG2 THR 20 -6.688 17.370 1.824 123 H ASP 21 H ASP 21 -6.993 21.143 -1.542 124 HA ASP 21 HA ASP 21 -9.767 21.125 -2.658 125 HB3 ASP 21 2HB ASP 21 -9.497 23.678 -2.803 126 H SER 22 H SER 22 -6.319 21.183 -3.282 127 HA SER 22 HA SER 22 -6.868 21.486 -6.169 128 HB3 SER 22 2HB SER 22 -4.520 22.990 -5.564 129 HG SER 22 HG SER 22 -5.588 24.503 -6.593 130 H PHE 23 H PHE 23 -5.893 19.313 -4.186 131 HA PHE 23 HA PHE 23 -3.215 18.671 -5.214 132 HB3 PHE 23 2HB PHE 23 -3.869 18.295 -2.841 133 HD1 PHE 23 1HD PHE 23 -6.236 18.651 -2.195 134 HD2 PHE 23 2HD PHE 23 -5.016 15.055 -4.206 135 HE1 PHE 23 1HE PHE 23 -8.475 17.614 -1.738 136 HE2 PHE 23 2HE PHE 23 -7.207 14.037 -3.756 137 HZ PHE 23 HZ PHE 23 -8.946 15.322 -2.487 138 H GLU 24 H GLU 24 -2.881 16.501 -6.332 139 HA GLU 24 HA GLU 24 -5.282 15.020 -7.077 140 HB3 GLU 24 2HB GLU 24 -4.762 16.192 -9.039 141 HG3 GLU 24 2HG GLU 24 -1.821 15.644 -8.769 142 H VAL 25 H VAL 25 -4.937 13.124 -5.959 143 HA VAL 25 HA VAL 25 -2.153 12.096 -5.706 144 HB VAL 25 HB VAL 25 -4.357 11.952 -3.613 145 HG11 VAL 25 1HG1 VAL 25 -2.920 9.933 -3.636 146 HG12 VAL 25 2HG1 VAL 25 -1.473 10.948 -3.520 147 HG13 VAL 25 3HG1 VAL 25 -2.639 10.886 -2.182 148 HG21 VAL 25 3HG2 VAL 25 -1.777 13.271 -2.912 149 HG22 VAL 25 1HG2 VAL 25 -2.995 14.220 -3.774 150 HG23 VAL 25 2HG2 VAL 25 -3.399 13.456 -2.237 151 H SER 26 H SER 26 -2.173 10.254 -6.995 152 HA SER 26 HA SER 26 -4.628 8.561 -6.972 153 HB3 SER 26 2HB SER 26 -4.111 7.779 -9.104 154 HG SER 26 HG SER 26 -4.320 9.536 -10.300 155 H VAL 27 H VAL 27 -4.328 6.773 -5.829 156 HA VAL 27 HA VAL 27 -1.568 5.638 -5.544 157 HB VAL 27 HB VAL 27 -2.628 4.089 -3.879 158 HG11 VAL 27 1HG1 VAL 27 -2.325 5.642 -2.063 159 HG12 VAL 27 2HG1 VAL 27 -1.200 6.054 -3.354 160 HG13 VAL 27 3HG1 VAL 27 -2.662 7.038 -3.114 161 HG21 VAL 27 3HG2 VAL 27 -4.674 4.726 -2.730 162 HG22 VAL 27 1HG2 VAL 27 -4.892 6.141 -3.778 163 HG23 VAL 27 2HG2 VAL 27 -5.043 4.508 -4.439 164 H SER 28 H SER 28 -1.139 3.716 -6.547 165 HA SER 28 HA SER 28 -3.273 2.375 -8.080 166 HB3 SER 28 2HB SER 28 -1.466 0.825 -8.688 167 HG SER 28 HG SER 28 -0.814 3.582 -9.109 168 H ILE 29 H ILE 29 -4.038 0.355 -7.313 169 HA ILE 29 HA ILE 29 -3.207 -0.421 -4.558 170 HB ILE 29 HB ILE 29 -5.979 0.037 -5.706 171 HG13 ILE 29 2HG1 ILE 29 -4.593 1.997 -4.619 172 HG21 ILE 29 1HG2 ILE 29 -6.031 -2.051 -4.428 173 HG22 ILE 29 2HG2 ILE 29 -5.236 -1.271 -3.053 174 HG23 ILE 29 3HG2 ILE 29 -6.880 -0.807 -3.527 175 HD11 ILE 29 3HD1 ILE 29 -6.540 2.895 -3.426 176 HD12 ILE 29 1HD1 ILE 29 -6.931 2.287 -5.047 177 HD13 ILE 29 2HD1 ILE 29 -7.362 1.344 -3.602 178 H GLY 30 H GLY 30 -2.540 -2.505 -4.579 179 HA2 GLY 30 1HA GLY 30 -3.637 -4.498 -6.424 180 HA3 GLY 30 2HA GLY 30 -2.002 -3.927 -6.748 181 H GLY 31 H GLY 31 -2.440 -6.628 -6.122 182 HA2 GLY 31 1HA GLY 31 -0.494 -7.158 -4.190 183 HA3 GLY 31 2HA GLY 31 -2.090 -7.359 -3.431 184 H ALA 32 H ALA 32 -0.613 -9.681 -3.692 185 HA ALA 32 HA ALA 32 -2.093 -11.127 -5.806 186 HB1 ALA 32 1HB ALA 32 0.839 -11.676 -5.299 187 HB2 ALA 32 2HB ALA 32 -0.199 -12.364 -6.549 188 HB3 ALA 32 3HB ALA 32 0.247 -10.657 -6.650 189 H ASP 33 H ASP 33 -2.038 -13.463 -5.514 190 HA ASP 33 HA ASP 33 -2.188 -14.242 -2.687 191 HB3 ASP 33 2HB ASP 33 -4.352 -13.198 -3.600 192 H LYS 34 H LYS 34 -3.226 -16.551 -2.642 193 HA LYS 34 HA LYS 34 -1.308 -18.291 -4.000 194 HB3 LYS 34 2HB LYS 34 -3.584 -19.026 -2.089 195 HG3 LYS 34 2HG LYS 34 -1.310 -20.420 -3.429 196 HD3 LYS 34 2HD LYS 34 -2.156 -21.249 -0.631 197 HE3 LYS 34 2HE LYS 34 -0.213 -22.229 -2.743 198 HZ1 LYS 34 3HZ LYS 34 0.702 -23.673 -1.140 199 HZ2 LYS 34 1HZ LYS 34 -0.150 -23.018 0.105 200 HZ3 LYS 34 2HZ LYS 34 1.038 -22.156 -0.702 201 H GLY 35 H GLY 35 -2.079 -17.564 -6.065 202 HA2 GLY 35 1HA GLY 35 -3.024 -19.003 -7.932 203 HA3 GLY 35 2HA GLY 35 -4.510 -19.064 -6.992 204 H GLY 36 H GLY 36 -2.592 -16.017 -7.289 205 HA2 GLY 36 1HA GLY 36 -3.062 -15.170 -9.761 206 HA3 GLY 36 2HA GLY 36 -4.679 -14.928 -9.103 207 HA PRO 37 HA PRO 37 -2.624 -11.047 -7.807 208 HB3 PRO 37 2HB PRO 37 -2.530 -10.097 -9.924 209 HG3 PRO 37 2HG PRO 37 -4.070 -10.706 -11.622 210 HD3 PRO 37 2HD PRO 37 -3.144 -12.764 -11.031 211 H ALA 38 H ALA 38 -3.741 -10.079 -6.154 212 HA ALA 38 HA ALA 38 -5.903 -11.720 -5.117 213 HB1 ALA 38 1HB ALA 38 -4.045 -10.908 -3.666 214 HB2 ALA 38 2HB ALA 38 -4.553 -9.230 -3.957 215 HB3 ALA 38 3HB ALA 38 -5.621 -10.340 -3.076 216 H LYS 39 H LYS 39 -8.059 -11.269 -5.212 217 HA LYS 39 HA LYS 39 -9.125 -8.876 -6.362 218 HB3 LYS 39 2HB LYS 39 -11.276 -9.562 -5.380 219 HG3 LYS 39 2HG LYS 39 -9.870 -12.079 -6.306 220 HD3 LYS 39 2HD LYS 39 -12.546 -10.952 -7.172 221 HE3 LYS 39 2HE LYS 39 -11.601 -13.810 -6.706 222 HZ1 LYS 39 3HZ LYS 39 -13.461 -14.390 -7.976 223 HZ2 LYS 39 1HZ LYS 39 -13.671 -12.869 -8.552 224 HZ3 LYS 39 2HZ LYS 39 -14.039 -13.208 -6.970 225 H LEU 40 H LEU 40 -9.187 -6.872 -5.584 226 HA LEU 40 HA LEU 40 -8.600 -6.309 -2.756 227 HB3 LEU 40 2HB LEU 40 -8.196 -4.042 -3.625 228 HG LEU 40 HG LEU 40 -6.907 -6.253 -5.236 229 HD11 LEU 40 1HD1 LEU 40 -6.696 -3.359 -6.053 230 HD12 LEU 40 2HD1 LEU 40 -7.434 -4.708 -6.950 231 HD13 LEU 40 3HD1 LEU 40 -5.719 -4.728 -6.632 232 HD21 LEU 40 3HD2 LEU 40 -5.825 -4.068 -3.445 233 HD22 LEU 40 1HD2 LEU 40 -4.836 -5.178 -4.422 234 HD23 LEU 40 2HD2 LEU 40 -5.871 -5.828 -3.177 235 H TYR 41 H TYR 41 -10.009 -4.707 -1.652 236 HA TYR 41 HA TYR 41 -12.732 -4.444 -2.761 237 HB3 TYR 41 2HB TYR 41 -13.646 -5.013 -0.511 238 HD1 TYR 41 1HD TYR 41 -10.967 -7.430 -1.570 239 HD2 TYR 41 2HD TYR 41 -15.160 -6.527 -1.257 240 HE1 TYR 41 1HE TYR 41 -11.486 -9.562 -2.603 241 HE2 TYR 41 2HE TYR 41 -15.718 -8.792 -2.096 242 HH TYR 41 HH TYR 41 -14.833 -10.674 -3.209 243 H ASN 42 H ASN 42 -13.710 -2.688 -2.128 244 HA ASN 42 HA ASN 42 -12.042 -0.360 -1.580 245 HB3 ASN 42 2HB ASN 42 -13.909 -0.566 -3.371 246 HD21 ASN 42 1HD2 ASN 42 -15.592 -2.140 -2.285 247 HD22 ASN 42 2HD2 ASN 42 -17.110 -1.328 -2.057 248 H ASP 43 H ASP 43 -14.217 1.210 -0.296 249 HA ASP 43 HA ASP 43 -13.797 0.342 2.511 250 HB3 ASP 43 2HB ASP 43 -12.964 2.565 1.753 251 H LYS 44 H LYS 44 -16.170 0.035 0.165 252 HA LYS 44 HA LYS 44 -18.497 0.424 1.986 253 HB3 LYS 44 2HB LYS 44 -19.827 0.604 -0.082 254 HG3 LYS 44 2HG LYS 44 -18.375 2.745 -0.945 255 HD3 LYS 44 2HD LYS 44 -19.205 3.898 1.337 256 HE3 LYS 44 2HE LYS 44 -21.163 2.914 -0.789 257 HZ1 LYS 44 3HZ LYS 44 -22.154 5.086 -0.381 258 HZ2 LYS 44 1HZ LYS 44 -21.053 5.420 0.783 259 HZ3 LYS 44 2HZ LYS 44 -22.157 4.224 1.029 260 H GLY 45 H GLY 45 -16.539 -1.938 1.555 261 HA2 GLY 45 1HA GLY 45 -16.620 -4.127 1.731 262 HA3 GLY 45 2HA GLY 45 -18.336 -4.069 2.007 263 H GLU 46 H GLU 46 -16.914 -2.889 -0.991 264 HA GLU 46 HA GLU 46 -18.302 -5.100 -2.481 265 HB3 GLU 46 2HB GLU 46 -19.126 -2.644 -2.725 266 HG3 GLU 46 2HG GLU 46 -17.842 -2.673 -5.338 267 H TYR 47 H TYR 47 -17.183 -5.868 -4.435 268 HA TYR 47 HA TYR 47 -14.247 -5.851 -4.174 269 HB3 TYR 47 2HB TYR 47 -15.882 -7.955 -4.636 270 HD1 TYR 47 1HD TYR 47 -17.875 -7.221 -6.207 271 HD2 TYR 47 2HD TYR 47 -13.853 -7.852 -7.605 272 HE1 TYR 47 1HE TYR 47 -18.701 -7.322 -8.555 273 HE2 TYR 47 2HE TYR 47 -14.671 -8.033 -9.927 274 HH TYR 47 HH TYR 47 -18.135 -7.829 -10.804 275 H ILE 48 H ILE 48 -13.019 -5.121 -6.071 276 HA ILE 48 HA ILE 48 -14.415 -3.674 -8.197 277 HB ILE 48 HB ILE 48 -13.134 -1.532 -7.715 278 HG13 ILE 48 2HG1 ILE 48 -11.679 -2.652 -5.894 279 HG21 ILE 48 1HG2 ILE 48 -15.622 -1.899 -7.360 280 HG22 ILE 48 2HG2 ILE 48 -15.242 -2.067 -5.636 281 HG23 ILE 48 3HG2 ILE 48 -14.887 -0.561 -6.482 282 HD11 ILE 48 3HD1 ILE 48 -11.628 -0.566 -4.513 283 HD12 ILE 48 1HD1 ILE 48 -11.591 -0.241 -6.264 284 HD13 ILE 48 2HD1 ILE 48 -13.078 -0.003 -5.334 285 H GLY 49 H GLY 49 -12.323 -5.941 -7.886 286 HA2 GLY 49 1HA GLY 49 -11.168 -6.468 -9.931 287 HA3 GLY 49 2HA GLY 49 -10.499 -4.835 -9.967 288 H ASP 50 H ASP 50 -8.554 -6.252 -10.227 289 HA ASP 50 HA ASP 50 -7.274 -7.011 -7.625 290 HB3 ASP 50 2HB ASP 50 -7.658 -8.915 -9.216 291 H SER 51 H SER 51 -7.318 -4.755 -10.044 292 HA SER 51 HA SER 51 -4.993 -3.460 -9.054 293 HB3 SER 51 2HB SER 51 -3.513 -4.531 -10.373 294 HG SER 51 HG SER 51 -4.865 -5.999 -11.484 295 H TYR 52 H TYR 52 -5.267 -1.390 -9.344 296 HA TYR 52 HA TYR 52 -6.572 -0.085 -11.497 297 HB3 TYR 52 2HB TYR 52 -8.684 -0.788 -10.693 298 HD1 TYR 52 1HD TYR 52 -7.917 1.310 -7.681 299 HD2 TYR 52 2HD TYR 52 -8.992 -2.589 -9.169 300 HE1 TYR 52 1HE TYR 52 -8.565 0.645 -5.419 301 HE2 TYR 52 2HE TYR 52 -9.521 -3.335 -6.889 302 HH TYR 52 HH TYR 52 -9.698 -2.665 -4.650 303 H SER 53 H SER 53 -7.167 2.346 -10.498 304 HA SER 53 HA SER 53 -5.390 2.956 -8.270 305 HB3 SER 53 2HB SER 53 -4.146 4.231 -9.672 306 HG SER 53 HG SER 53 -4.642 3.958 -11.616 307 H ALA 54 H ALA 54 -6.121 4.906 -7.078 308 HA ALA 54 HA ALA 54 -8.957 5.573 -7.391 309 HB1 ALA 54 1HB ALA 54 -7.779 4.671 -4.727 310 HB2 ALA 54 2HB ALA 54 -9.431 5.255 -5.018 311 HB3 ALA 54 3HB ALA 54 -8.909 3.709 -5.715 312 H GLN 55 H GLN 55 -9.149 7.793 -7.173 313 HA GLN 55 HA GLN 55 -6.847 9.360 -6.299 314 HB3 GLN 55 2HB GLN 55 -9.678 10.331 -6.912 315 HG3 GLN 55 2HG GLN 55 -6.953 11.704 -6.929 316 HE21 GLN 55 1HE2 GLN 55 -6.805 12.981 -8.632 317 HE22 GLN 55 2HE2 GLN 55 -8.023 14.025 -9.318 318 H ILE 56 H ILE 56 -6.539 10.296 -4.336 319 HA ILE 56 HA ILE 56 -8.217 9.436 -2.103 320 HB ILE 56 HB ILE 56 -5.822 11.308 -2.152 321 HG13 ILE 56 2HG1 ILE 56 -4.429 9.431 -1.632 322 HG21 ILE 56 1HG2 ILE 56 -6.911 11.587 -0.039 323 HG22 ILE 56 2HG2 ILE 56 -7.186 9.851 0.136 324 HG23 ILE 56 3HG2 ILE 56 -5.542 10.521 0.247 325 HD11 ILE 56 3HD1 ILE 56 -5.992 7.982 -0.338 326 HD12 ILE 56 1HD1 ILE 56 -6.923 7.673 -1.824 327 HD13 ILE 56 2HD1 ILE 56 -5.258 7.110 -1.702 328 H ARG 57 H ARG 57 -10.218 10.485 -2.986 329 HA ARG 57 HA ARG 57 -10.255 13.409 -2.532 330 HB3 ARG 57 2HB ARG 57 -12.662 13.184 -3.375 331 HG3 ARG 57 2HG ARG 57 -12.064 13.036 -5.700 332 HD3 ARG 57 2HD ARG 57 -9.420 14.023 -4.959 333 HE ARG 57 HE ARG 57 -10.248 15.217 -6.739 334 HH11 ARG 57 1HH1 ARG 57 -12.393 15.693 -3.932 335 HH12 ARG 57 2HH1 ARG 57 -13.313 16.955 -4.663 336 HH21 ARG 57 1HH2 ARG 57 -11.359 16.956 -7.643 337 HH22 ARG 57 2HH2 ARG 57 -12.365 17.955 -6.658 338 H THR 58 H THR 58 -10.076 11.381 -0.366 339 HA THR 58 HA THR 58 -12.207 12.608 1.316 340 HB THR 58 HB THR 58 -12.104 10.548 2.715 341 HG1 THR 58 1HG THR 58 -10.857 8.996 2.282 342 HG21 THR 58 3HG2 THR 58 -13.380 9.068 1.282 343 HG22 THR 58 1HG2 THR 58 -12.837 9.924 -0.173 344 HG23 THR 58 2HG2 THR 58 -13.883 10.749 1.012 345 H ALA 59 H ALA 59 -11.511 12.888 3.627 346 HA ALA 59 HA ALA 59 -8.810 13.882 3.919 347 HB1 ALA 59 1HB ALA 59 -10.802 14.683 5.210 348 HB2 ALA 59 2HB ALA 59 -10.836 13.144 6.086 349 HB3 ALA 59 3HB ALA 59 -9.426 14.211 6.227 350 H THR 60 H THR 60 -10.593 10.874 4.866 351 HA THR 60 HA THR 60 -7.996 9.502 5.220 352 HB THR 60 HB THR 60 -8.954 8.349 7.170 353 HG1 THR 60 1HG THR 60 -11.024 8.578 7.493 354 HG21 THR 60 3HG2 THR 60 -7.567 10.462 7.295 355 HG22 THR 60 1HG2 THR 60 -8.527 10.061 8.738 356 HG23 THR 60 2HG2 THR 60 -9.059 11.345 7.628 357 H MET 61 H MET 61 -7.919 7.520 4.450 358 HA MET 61 HA MET 61 -10.261 6.342 3.048 359 HB3 MET 61 2HB MET 61 -7.714 6.014 1.585 360 HG3 MET 61 2HG MET 61 -9.253 7.328 -0.086 361 HE1 MET 61 3HE MET 61 -8.379 4.066 -1.668 362 HE2 MET 61 1HE MET 61 -7.937 5.745 -1.265 363 HE3 MET 61 2HE MET 61 -7.567 4.436 -0.128 364 H SER 62 H SER 62 -9.736 4.061 2.245 365 HA SER 62 HA SER 62 -7.526 2.685 3.380 366 HB3 SER 62 2HB SER 62 -8.749 2.849 5.471 367 HG SER 62 HG SER 62 -10.886 3.189 4.420 368 H CYS 63 H CYS 63 -7.259 0.594 2.448 369 HA CYS 63 HA CYS 63 -9.467 -0.378 0.690 370 HB3 CYS 63 2HB CYS 63 -7.996 -0.882 -1.091 371 HG CYS 63 HG CYS 63 -8.829 1.398 -1.378 372 H CYS 64 H CYS 64 -9.347 -2.811 0.458 373 HA CYS 64 HA CYS 64 -7.431 -4.192 2.205 374 HB3 CYS 64 2HB CYS 64 -9.135 -3.748 3.807 375 HG CYS 64 HG CYS 64 -11.025 -2.796 2.373 376 H THR 65 H THR 65 -8.225 -6.757 2.083 377 HA THR 65 HA THR 65 -8.878 -7.293 -0.737 378 HB THR 65 HB THR 65 -6.990 -8.666 -1.065 379 HG1 THR 65 1HG THR 65 -6.359 -9.627 0.633 380 HG21 THR 65 3HG2 THR 65 -5.181 -7.137 -1.099 381 HG22 THR 65 1HG2 THR 65 -5.777 -6.259 0.330 382 HG23 THR 65 2HG2 THR 65 -6.635 -6.147 -1.216 383 H ASN 66 H ASN 66 -8.836 -9.890 -0.888 384 HA ASN 66 HA ASN 66 -11.084 -10.752 0.763 385 HB3 ASN 66 2HB ASN 66 -11.050 -11.317 -1.657 386 HD21 ASN 66 1HD2 ASN 66 -8.843 -10.771 -2.746 387 HD22 ASN 66 2HD2 ASN 66 -7.729 -12.130 -2.842 388 H GLY 67 H GLY 67 -10.657 -13.489 1.158 389 HA2 GLY 67 1HA GLY 67 -9.094 -13.440 3.575 390 HA3 GLY 67 2HA GLY 67 -9.992 -14.788 2.886 391 H ASN 68 H ASN 68 -8.069 -14.003 0.344 392 HA ASN 68 HA ASN 68 -5.713 -15.596 1.205 393 HB3 ASN 68 2HB ASN 68 -7.561 -15.901 -1.182 394 HD21 ASN 68 1HD2 ASN 68 -6.924 -17.338 -2.906 395 HD22 ASN 68 2HD2 ASN 68 -5.278 -17.308 -3.421 396 H ALA 69 H ALA 69 -4.093 -14.151 1.134 397 HA ALA 69 HA ALA 69 -3.162 -13.214 -1.338 398 HB1 ALA 69 1HB ALA 69 -4.446 -11.242 -1.149 399 HB2 ALA 69 2HB ALA 69 -4.035 -11.056 0.587 400 HB3 ALA 69 3HB ALA 69 -2.816 -10.810 -0.687 401 H PHE 70 H PHE 70 -1.000 -12.233 -1.079 402 HA PHE 70 HA PHE 70 0.392 -13.051 1.442 403 HB3 PHE 70 2HB PHE 70 2.386 -13.234 -0.111 404 HD1 PHE 70 2HD PHE 70 1.980 -15.128 1.551 405 HD2 PHE 70 1HD PHE 70 0.227 -14.973 -2.383 406 HE1 PHE 70 2HE PHE 70 1.691 -17.587 1.593 407 HE2 PHE 70 1HE PHE 70 0.023 -17.464 -2.369 408 HZ PHE 70 HZ PHE 70 0.770 -18.757 -0.397 409 H PHE 71 H PHE 71 -0.299 -10.335 -0.691 410 HA PHE 71 HA PHE 71 0.934 -8.629 1.174 411 HB3 PHE 71 2HB PHE 71 2.960 -9.248 -0.329 412 HD1 PHE 71 2HD PHE 71 1.900 -10.258 -2.579 413 HD2 PHE 71 1HD PHE 71 2.583 -6.059 -1.821 414 HE1 PHE 71 2HE PHE 71 1.853 -9.764 -5.020 415 HE2 PHE 71 1HE PHE 71 2.505 -5.600 -4.242 416 HZ PHE 71 HZ PHE 71 2.116 -7.461 -5.849 417 H MET 72 H MET 72 0.727 -6.305 0.334 418 HA MET 72 HA MET 72 -1.145 -5.832 -1.820 419 HB3 MET 72 2HB MET 72 -1.473 -4.521 0.910 420 HG3 MET 72 2HG MET 72 -3.572 -5.054 -1.217 421 HE1 MET 72 3HE MET 72 -5.837 -3.932 -0.994 422 HE2 MET 72 1HE MET 72 -6.259 -2.734 0.240 423 HE3 MET 72 2HE MET 72 -5.077 -2.317 -1.021 424 H THR 73 H THR 73 -0.673 -3.557 -2.604 425 HA THR 73 HA THR 73 1.345 -2.052 -1.110 426 HB THR 73 HB THR 73 2.614 -3.401 -2.759 427 HG1 THR 73 1HG THR 73 3.646 -1.615 -2.356 428 HG21 THR 73 3HG2 THR 73 2.485 -2.921 -5.149 429 HG22 THR 73 1HG2 THR 73 1.127 -1.814 -4.907 430 HG23 THR 73 2HG2 THR 73 0.922 -3.546 -4.585 431 H CYS 74 H CYS 74 1.338 0.186 -1.655 432 HA CYS 74 HA CYS 74 -1.241 1.121 -2.784 433 HB3 CYS 74 2HB CYS 74 0.207 2.481 -0.459 434 HG CYS 74 HG CYS 74 -1.775 3.599 -1.869 435 H ALA 75 H ALA 75 1.462 0.907 -3.972 436 HA ALA 75 HA ALA 75 2.988 3.251 -3.938 437 HB1 ALA 75 1HB ALA 75 3.755 1.111 -4.904 438 HB2 ALA 75 2HB ALA 75 2.613 1.317 -6.256 439 HB3 ALA 75 3HB ALA 75 3.952 2.459 -6.043 440 H GLY 76 H GLY 76 2.846 5.383 -4.882 441 HA2 GLY 76 1HA GLY 76 0.678 5.833 -6.792 442 HA3 GLY 76 2HA GLY 76 0.443 6.410 -5.130 443 H SER 77 H SER 77 0.318 8.278 -6.787 444 HA SER 77 HA SER 77 2.830 9.810 -6.795 445 HB3 SER 77 2HB SER 77 2.887 9.156 -8.981 446 HG SER 77 HG SER 77 0.184 9.279 -9.591 447 H VAL 78 H VAL 78 2.480 12.014 -6.651 448 HA VAL 78 HA VAL 78 -0.221 12.994 -6.758 449 HB VAL 78 HB VAL 78 -0.158 12.570 -4.587 450 HG11 VAL 78 1HG1 VAL 78 1.296 12.686 -2.903 451 HG12 VAL 78 2HG1 VAL 78 2.417 12.354 -4.231 452 HG13 VAL 78 3HG1 VAL 78 2.205 14.009 -3.602 453 HG21 VAL 78 3HG2 VAL 78 -0.941 14.937 -4.896 454 HG22 VAL 78 1HG2 VAL 78 -0.153 14.782 -3.328 455 HG23 VAL 78 2HG2 VAL 78 0.717 15.505 -4.683 456 H SER 79 H SER 79 -0.417 15.328 -7.184 457 HA SER 79 HA SER 79 2.086 16.777 -7.804 458 HB3 SER 79 2HB SER 79 1.439 17.157 -10.156 459 HG SER 79 HG SER 79 1.989 14.753 -9.258 460 H SER 80 H SER 80 1.204 19.057 -8.674 461 HA SER 80 HA SER 80 -1.537 19.682 -8.302 462 HB3 SER 80 2HB SER 80 0.385 21.087 -6.360 463 HG SER 80 HG SER 80 -2.486 21.038 -6.416 464 H ILE 81 H ILE 81 -1.876 21.980 -8.919 465 HA ILE 81 HA ILE 81 0.322 23.226 -10.480 466 HB ILE 81 HB ILE 81 -1.073 23.443 -12.436 467 HG13 ILE 81 2HG1 ILE 81 -3.254 22.210 -10.739 468 HG21 ILE 81 1HG2 ILE 81 0.341 21.416 -12.125 469 HG22 ILE 81 2HG2 ILE 81 -1.081 20.522 -11.540 470 HG23 ILE 81 3HG2 ILE 81 -1.040 21.134 -13.182 471 HD11 ILE 81 3HD1 ILE 81 -4.691 23.585 -12.224 472 HD12 ILE 81 1HD1 ILE 81 -3.545 24.565 -11.298 473 HD13 ILE 81 2HD1 ILE 81 -3.246 24.230 -13.023 474 H SER 82 H SER 82 -1.730 23.719 -8.022 475 HA SER 82 HA SER 82 -2.713 26.391 -8.745 476 HB3 SER 82 2HB SER 82 -2.876 26.094 -5.944 477 HG SER 82 HG SER 82 -4.665 26.790 -6.893 478 H GLU 83 H GLU 83 -2.132 27.869 -6.673 479 HA GLU 83 HA GLU 83 0.504 28.783 -7.337 480 HB3 GLU 83 2HB GLU 83 -0.089 30.676 -5.884 481 HG3 GLU 83 2HG GLU 83 -2.472 29.760 -7.578 482 H ALA 84 H ALA 84 1.895 29.656 -5.443 483 HA ALA 84 HA ALA 84 2.940 27.546 -3.880 484 HB1 ALA 84 1HB ALA 84 3.296 30.537 -3.559 485 HB2 ALA 84 2HB ALA 84 4.404 29.271 -2.988 486 HB3 ALA 84 3HB ALA 84 4.179 29.545 -4.727 487 H GLY 85 H GLY 85 3.287 27.654 -1.564 488 HA2 GLY 85 1HA GLY 85 2.713 27.712 0.627 489 HA3 GLY 85 2HA GLY 85 1.589 29.007 0.343 490 H LYS 86 H LYS 86 0.939 26.394 -1.709 491 HA LYS 86 HA LYS 86 -1.296 25.315 -0.101 492 HB3 LYS 86 2HB LYS 86 -1.954 24.254 -2.175 493 HG3 LYS 86 2HG LYS 86 -2.010 26.169 -3.862 494 HD3 LYS 86 2HD LYS 86 -2.959 27.816 -1.780 495 HE3 LYS 86 2HE LYS 86 -4.215 25.654 -3.509 496 HZ1 LYS 86 3HZ LYS 86 -6.330 26.706 -2.889 497 HZ2 LYS 86 1HZ LYS 86 -5.563 27.462 -1.631 498 HZ3 LYS 86 2HZ LYS 86 -5.627 25.805 -1.702 499 H ARG 87 H ARG 87 -0.844 23.542 1.022 500 HA ARG 87 HA ARG 87 1.715 22.063 0.544 501 HB3 ARG 87 2HB ARG 87 1.926 23.131 2.658 502 HG3 ARG 87 2HG ARG 87 -0.013 22.392 4.421 503 HD3 ARG 87 2HD ARG 87 -1.141 24.702 3.462 504 HE ARG 87 HE ARG 87 0.824 24.067 5.424 505 HH11 ARG 87 1HH1 ARG 87 -0.201 26.875 3.499 506 HH12 ARG 87 2HH1 ARG 87 -0.090 27.971 4.845 507 HH21 ARG 87 1HH2 ARG 87 1.211 25.502 7.047 508 HH22 ARG 87 2HH2 ARG 87 0.862 27.210 6.904 509 H LEU 88 H LEU 88 1.550 19.665 1.454 510 HA LEU 88 HA LEU 88 -1.075 18.562 1.417 511 HB3 LEU 88 2HB LEU 88 0.624 17.582 -0.900 512 HG LEU 88 HG LEU 88 -1.588 17.246 -1.964 513 HD11 LEU 88 1HD1 LEU 88 -2.231 15.247 -0.780 514 HD12 LEU 88 2HD1 LEU 88 -1.380 15.784 0.681 515 HD13 LEU 88 3HD1 LEU 88 -0.460 15.396 -0.799 516 HD21 LEU 88 3HD2 LEU 88 -2.887 17.753 0.750 517 HD22 LEU 88 1HD2 LEU 88 -3.674 17.303 -0.750 518 HD23 LEU 88 2HD2 LEU 88 -2.915 18.902 -0.611 519 H HIS 89 H HIS 89 -0.668 17.507 3.230 520 HA HIS 89 HA HIS 89 1.803 15.902 3.590 521 HB3 HIS 89 2HB HIS 89 -0.446 16.619 5.507 522 HD1 HIS 89 1HD HIS 89 3.017 16.461 6.981 523 HD2 HIS 89 2HD HIS 89 -0.244 13.820 6.337 524 HE1 HIS 89 1HE HIS 89 3.275 14.552 8.588 525 H ILE 90 H ILE 90 1.614 13.671 3.609 526 HA ILE 90 HA ILE 90 -1.062 12.445 3.180 527 HB ILE 90 HB ILE 90 1.454 12.093 1.533 528 HG13 ILE 90 2HG1 ILE 90 0.209 12.579 -0.341 529 HG21 ILE 90 1HG2 ILE 90 -0.763 10.052 1.857 530 HG22 ILE 90 2HG2 ILE 90 0.309 10.083 0.444 531 HG23 ILE 90 3HG2 ILE 90 0.988 9.828 2.058 532 HD11 ILE 90 3HD1 ILE 90 -2.281 12.910 -0.315 533 HD12 ILE 90 1HD1 ILE 90 -1.766 11.227 -0.147 534 HD13 ILE 90 2HD1 ILE 90 -2.332 12.134 1.275 535 H THR 91 H THR 91 -1.308 10.607 4.400 536 HA THR 91 HA THR 91 1.121 9.557 5.783 537 HB THR 91 HB THR 91 -1.661 9.578 6.959 538 HG1 THR 91 1HG THR 91 -1.253 11.388 7.979 539 HG21 THR 91 3HG2 THR 91 -0.404 9.311 9.080 540 HG22 THR 91 1HG2 THR 91 1.130 9.416 8.202 541 HG23 THR 91 2HG2 THR 91 0.054 8.027 7.948 542 H VAL 92 H VAL 92 1.372 7.333 5.572 543 HA VAL 92 HA VAL 92 -0.813 5.855 4.235 544 HB VAL 92 HB VAL 92 1.192 4.896 2.859 545 HG11 VAL 92 1HG1 VAL 92 -0.729 6.018 1.844 546 HG12 VAL 92 2HG1 VAL 92 0.033 7.596 2.142 547 HG13 VAL 92 3HG1 VAL 92 0.783 6.417 1.025 548 HG21 VAL 92 3HG2 VAL 92 2.928 6.151 3.935 549 HG22 VAL 92 1HG2 VAL 92 2.949 6.381 2.178 550 HG23 VAL 92 2HG2 VAL 92 2.341 7.671 3.242 551 H ILE 93 H ILE 93 -1.291 4.178 5.574 552 HA ILE 93 HA ILE 93 0.905 2.929 7.150 553 HB ILE 93 HB ILE 93 -1.929 3.550 8.083 554 HG13 ILE 93 2HG1 ILE 93 -0.644 5.662 7.820 555 HG21 ILE 93 1HG2 ILE 93 0.491 2.575 9.673 556 HG22 ILE 93 2HG2 ILE 93 -1.134 2.868 10.308 557 HG23 ILE 93 3HG2 ILE 93 -0.880 1.563 9.175 558 HD11 ILE 93 3HD1 ILE 93 -0.965 6.603 9.945 559 HD12 ILE 93 1HD1 ILE 93 -2.244 5.393 9.733 560 HD13 ILE 93 2HD1 ILE 93 -0.833 5.040 10.768 561 H GLY 94 H GLY 94 0.736 0.675 7.408 562 HA2 GLY 94 1HA GLY 94 -1.435 -0.711 5.905 563 HA3 GLY 94 2HA GLY 94 0.267 -0.986 5.515 564 H TYR 95 H TYR 95 -1.932 -2.736 6.497 565 HA TYR 95 HA TYR 95 -0.821 -3.740 9.047 566 HB3 TYR 95 2HB TYR 95 -3.208 -4.311 9.570 567 HD1 TYR 95 1HD TYR 95 -3.531 -1.004 7.878 568 HD2 TYR 95 2HD TYR 95 -2.678 -3.078 11.575 569 HE1 TYR 95 1HE TYR 95 -3.579 1.160 9.117 570 HE2 TYR 95 2HE TYR 95 -2.755 -0.944 12.788 571 HH TYR 95 HH TYR 95 -2.271 1.437 12.278 572 H ILE 96 H ILE 96 -1.237 -5.985 9.455 573 HA ILE 96 HA ILE 96 -2.097 -7.685 7.201 574 HB ILE 96 HB ILE 96 0.225 -8.469 9.014 575 HG13 ILE 96 2HG1 ILE 96 1.010 -6.702 7.571 576 HG21 ILE 96 1HG2 ILE 96 0.383 -10.421 7.542 577 HG22 ILE 96 2HG2 ILE 96 -1.258 -10.305 8.146 578 HG23 ILE 96 3HG2 ILE 96 -0.905 -9.775 6.489 579 HD11 ILE 96 3HD1 ILE 96 1.917 -9.306 6.281 580 HD12 ILE 96 1HD1 ILE 96 2.795 -7.781 6.370 581 HD13 ILE 96 2HD1 ILE 96 2.515 -8.706 7.854 582 H ASP 97 H ASP 97 -3.940 -8.344 7.955 583 HA ASP 97 HA ASP 97 -5.488 -9.489 9.044 584 HB3 ASP 97 2HB ASP 97 -3.329 -10.463 10.944 585 H ASP 98 H ASP 98 -3.393 -8.483 11.764 586 HA ASP 98 HA ASP 98 -5.352 -6.538 12.724 587 HB3 ASP 98 2HB ASP 98 -6.270 -8.563 13.618 588 H LYS 99 H LYS 99 -2.237 -7.011 11.990 589 HA LYS 99 HA LYS 99 -1.325 -5.224 14.202 590 HB3 LYS 99 2HB LYS 99 0.996 -6.246 13.359 591 HG3 LYS 99 2HG LYS 99 -0.557 -8.013 15.243 592 HD3 LYS 99 2HD LYS 99 1.960 -8.154 14.771 593 HE3 LYS 99 2HE LYS 99 2.180 -5.557 14.824 594 HZ1 LYS 99 3HZ LYS 99 2.860 -4.756 16.995 595 HZ2 LYS 99 1HZ LYS 99 2.241 -6.099 17.730 596 HZ3 LYS 99 2HZ LYS 99 1.257 -5.044 16.915 597 H GLU 100 H GLU 100 0.218 -3.655 13.666 598 HA GLU 100 HA GLU 100 -0.081 -2.598 10.911 599 HB3 GLU 100 2HB GLU 100 1.067 -1.187 13.360 600 HG3 GLU 100 2HG GLU 100 -0.339 -0.204 10.836 601 H VAL 101 H VAL 101 1.674 -2.876 9.576 602 HA VAL 101 HA VAL 101 4.290 -3.562 10.879 603 HB VAL 101 HB VAL 101 4.664 -5.220 9.222 604 HG11 VAL 101 1HG1 VAL 101 1.828 -5.642 10.260 605 HG12 VAL 101 2HG1 VAL 101 3.013 -6.878 9.810 606 HG13 VAL 101 3HG1 VAL 101 3.309 -5.856 11.220 607 HG21 VAL 101 3HG2 VAL 101 3.582 -4.189 7.263 608 HG22 VAL 101 1HG2 VAL 101 3.079 -5.840 7.501 609 HG23 VAL 101 2HG2 VAL 101 1.974 -4.521 7.964 610 H ASN 102 H ASN 102 2.788 -1.371 8.575 611 HA ASN 102 HA ASN 102 5.485 -0.569 7.627 612 HB3 ASN 102 2HB ASN 102 3.452 -0.619 5.482 613 HD21 ASN 102 1HD2 ASN 102 5.170 0.401 4.319 614 HD22 ASN 102 2HD2 ASN 102 6.597 -0.470 3.864 615 H ARG 103 H ARG 103 5.564 1.650 7.186 616 HA ARG 103 HA ARG 103 3.416 3.230 6.367 617 HB3 ARG 103 2HB ARG 103 2.420 3.160 8.628 618 HG3 ARG 103 2HG ARG 103 3.686 4.192 10.559 619 HD3 ARG 103 2HD ARG 103 4.652 1.406 9.873 620 HE ARG 103 HE ARG 103 4.893 2.877 12.214 621 HH11 ARG 103 1HH1 ARG 103 3.396 -0.150 11.282 622 HH12 ARG 103 2HH1 ARG 103 3.761 -1.020 12.742 623 HH21 ARG 103 1HH2 ARG 103 5.224 1.858 14.265 624 HH22 ARG 103 2HH2 ARG 103 4.747 0.216 14.524 625 H LEU 104 H LEU 104 3.785 5.317 6.038 626 HA LEU 104 HA LEU 104 6.075 6.535 7.289 627 HB3 LEU 104 2HB LEU 104 7.272 5.657 5.384 628 HG LEU 104 HG LEU 104 4.897 6.456 3.883 629 HD11 LEU 104 1HD1 LEU 104 6.051 7.110 1.814 630 HD12 LEU 104 2HD1 LEU 104 7.620 7.027 2.659 631 HD13 LEU 104 3HD1 LEU 104 6.412 8.243 3.131 632 HD21 LEU 104 3HD2 LEU 104 5.563 4.132 3.967 633 HD22 LEU 104 1HD2 LEU 104 7.112 4.524 3.215 634 HD23 LEU 104 2HD2 LEU 104 5.603 4.729 2.303 635 H GLU 105 H GLU 105 6.073 8.965 6.589 636 HA GLU 105 HA GLU 105 3.346 9.854 5.826 637 HB3 GLU 105 2HB GLU 105 3.210 11.501 7.333 638 HG3 GLU 105 2HG GLU 105 3.770 9.221 8.707 639 H LYS 106 H LYS 106 3.454 12.052 4.817 640 HA LYS 106 HA LYS 106 6.022 12.754 3.565 641 HB3 LYS 106 2HB LYS 106 4.583 13.015 1.368 642 HG3 LYS 106 2HG LYS 106 4.898 10.742 0.692 643 HD3 LYS 106 2HD LYS 106 7.314 11.579 2.350 644 HE3 LYS 106 2HE LYS 106 6.949 10.078 -0.249 645 HZ1 LYS 106 3HZ LYS 106 9.171 9.244 0.376 646 HZ2 LYS 106 1HZ LYS 106 9.244 10.353 1.609 647 HZ3 LYS 106 2HZ LYS 106 9.162 10.848 0.046 648 H GLU 107 H GLU 107 5.684 14.555 2.233 649 HA GLU 107 HA GLU 107 3.773 16.565 3.179 650 HB3 GLU 107 2HB GLU 107 6.537 17.202 4.232 651 HG3 GLU 107 2HG GLU 107 3.642 17.638 5.062 652 H TYR 108 H TYR 108 3.519 17.890 1.478 653 HA TYR 108 HA TYR 108 5.912 18.612 -0.103 654 HB3 TYR 108 2HB TYR 108 4.587 18.331 -2.102 655 HD1 TYR 108 2HD TYR 108 6.485 16.441 -1.578 656 HD2 TYR 108 1HD TYR 108 2.279 16.042 -0.973 657 HE1 TYR 108 2HE TYR 108 6.711 13.965 -1.759 658 HE2 TYR 108 1HE TYR 108 2.505 13.560 -0.877 659 HH TYR 108 HH TYR 108 3.939 11.785 -1.157 660 H ILE 109 H ILE 109 5.857 20.710 -1.089 661 HA ILE 109 HA ILE 109 3.782 22.600 -0.173 662 HB ILE 109 HB ILE 109 6.759 22.658 0.436 663 HG13 ILE 109 2HG1 ILE 109 5.731 21.329 2.057 664 HG21 ILE 109 1HG2 ILE 109 5.867 24.982 -0.208 665 HG22 ILE 109 2HG2 ILE 109 4.906 24.897 1.308 666 HG23 ILE 109 3HG2 ILE 109 6.666 24.823 1.332 667 HD11 ILE 109 3HD1 ILE 109 6.920 23.333 3.154 668 HD12 ILE 109 1HD1 ILE 109 5.262 23.960 3.440 669 HD13 ILE 109 2HD1 ILE 109 5.775 22.424 4.147 670 H THR 110 H THR 110 3.204 23.722 -1.900 671 HA THR 110 HA THR 110 4.599 23.765 -4.455 672 HB THR 110 HB THR 110 2.859 25.694 -4.833 673 HG1 THR 110 1HG THR 110 1.728 24.602 -2.503 674 HG21 THR 110 3HG2 THR 110 0.999 24.174 -5.128 675 HG22 THR 110 1HG2 THR 110 1.791 22.926 -4.128 676 HG23 THR 110 2HG2 THR 110 2.488 23.421 -5.692 677 H ASP 111 H ASP 111 5.837 25.328 -5.342 678 HA ASP 111 HA ASP 111 6.464 27.850 -3.919 679 HB3 ASP 111 2HB ASP 111 8.882 27.470 -4.677 680 H GLY 112 H GLY 112 4.590 27.652 -5.881 681 HA2 GLY 112 1HA GLY 112 3.985 29.063 -7.556 682 HA3 GLY 112 2HA GLY 112 5.653 29.638 -7.661 683 H ASN 113 H ASN 113 5.473 26.244 -8.019 684 HA ASN 113 HA ASN 113 5.667 26.352 -10.992 685 HB3 ASN 113 2HB ASN 113 7.472 24.545 -10.462 686 HD21 ASN 113 1HD2 ASN 113 8.172 27.499 -8.534 687 HD22 ASN 113 2HD2 ASN 113 9.155 28.239 -9.777 688 H THR 114 H THR 114 5.697 23.797 -11.706 689 HA THR 114 HA THR 114 3.257 22.621 -10.761 690 HB THR 114 HB THR 114 5.520 21.107 -12.087 691 HG1 THR 114 1HG THR 114 4.465 21.736 -14.080 692 HG21 THR 114 3HG2 THR 114 2.490 20.956 -12.414 693 HG22 THR 114 1HG2 THR 114 3.430 19.888 -11.361 694 HG23 THR 114 2HG2 THR 114 3.686 19.839 -13.103 695 H LEU 115 H LEU 115 2.927 21.153 -9.179 696 HA LEU 115 HA LEU 115 5.123 20.277 -7.383 697 HB3 LEU 115 2HB LEU 115 2.132 20.653 -7.204 698 HG LEU 115 HG LEU 115 2.538 18.488 -6.107 699 HD11 LEU 115 1HD1 LEU 115 4.883 18.794 -5.694 700 HD12 LEU 115 2HD1 LEU 115 4.101 18.539 -4.176 701 HD13 LEU 115 3HD1 LEU 115 4.557 20.212 -4.629 702 HD21 LEU 115 3HD2 LEU 115 2.310 20.559 -3.893 703 HD22 LEU 115 1HD2 LEU 115 2.034 18.799 -3.755 704 HD23 LEU 115 2HD2 LEU 115 0.947 19.767 -4.708 705 H ILE 116 H ILE 116 5.312 17.942 -7.112 706 HA ILE 116 HA ILE 116 3.952 15.952 -8.471 707 HB ILE 116 HB ILE 116 6.542 16.603 -9.952 708 HG13 ILE 116 2HG1 ILE 116 4.863 18.077 -10.634 709 HG21 ILE 116 1HG2 ILE 116 5.902 14.674 -11.399 710 HG22 ILE 116 2HG2 ILE 116 6.202 14.157 -9.766 711 HG23 ILE 116 3HG2 ILE 116 4.527 14.329 -10.329 712 HD11 ILE 116 3HD1 ILE 116 4.606 17.754 -12.934 713 HD12 ILE 116 1HD1 ILE 116 6.195 17.084 -12.477 714 HD13 ILE 116 2HD1 ILE 116 4.806 16.006 -12.794 715 H GLU 117 H GLU 117 4.464 14.169 -7.520 716 HA GLU 117 HA GLU 117 7.119 13.381 -6.401 717 HB3 GLU 117 2HB GLU 117 6.693 14.308 -4.448 718 HG3 GLU 117 2HG GLU 117 4.323 14.284 -3.567 719 H THR 118 H THR 118 7.061 11.214 -5.388 720 HA THR 118 HA THR 118 4.705 9.475 -5.891 721 HB THR 118 HB THR 118 6.044 7.723 -6.768 722 HG1 THR 118 1HG THR 118 8.071 8.098 -5.935 723 HG21 THR 118 3HG2 THR 118 5.095 9.356 -8.392 724 HG22 THR 118 1HG2 THR 118 6.519 8.500 -8.994 725 HG23 THR 118 2HG2 THR 118 6.663 10.175 -8.441 726 H PHE 119 H PHE 119 4.681 7.598 -4.589 727 HA PHE 119 HA PHE 119 6.552 7.383 -2.329 728 HB3 PHE 119 2HB PHE 119 4.917 8.690 -1.206 729 HD1 PHE 119 1HD PHE 119 3.472 9.741 -3.285 730 HD2 PHE 119 2HD PHE 119 2.426 6.325 -0.895 731 HE1 PHE 119 1HE PHE 119 1.068 10.086 -3.839 732 HE2 PHE 119 2HE PHE 119 0.006 6.692 -1.446 733 HZ PHE 119 HZ PHE 119 -0.649 8.535 -2.943 734 H SER 120 H SER 120 6.102 5.246 -1.157 735 HA SER 120 HA SER 120 4.326 3.476 -2.454 736 HB3 SER 120 2HB SER 120 6.102 3.003 -4.014 737 HG SER 120 HG SER 120 7.874 3.822 -2.961 738 H VAL 121 H VAL 121 3.416 2.252 -1.004 739 HA VAL 121 HA VAL 121 4.867 1.490 1.441 740 HB VAL 121 HB VAL 121 3.294 3.451 1.715 741 HG11 VAL 121 1HG1 VAL 121 0.965 2.912 2.294 742 HG12 VAL 121 2HG1 VAL 121 1.522 3.401 0.709 743 HG13 VAL 121 3HG1 VAL 121 1.182 1.626 1.121 744 HG21 VAL 121 3HG2 VAL 121 2.373 2.699 3.814 745 HG22 VAL 121 1HG2 VAL 121 2.439 1.016 3.242 746 HG23 VAL 121 2HG2 VAL 121 3.963 1.909 3.644 747 H SER 122 H SER 122 4.700 -0.670 1.856 748 HA SER 122 HA SER 122 2.717 -2.258 0.387 749 HB3 SER 122 2HB SER 122 4.401 -3.935 -0.128 750 HG SER 122 HG SER 122 5.766 -2.426 -1.475 751 H THR 123 H THR 123 2.843 -4.584 1.526 752 HA THR 123 HA THR 123 3.643 -4.292 4.387 753 HB THR 123 HB THR 123 1.571 -5.665 4.957 754 HG1 THR 123 1HG THR 123 1.192 -6.332 2.845 755 HG21 THR 123 3HG2 THR 123 1.562 -3.317 5.511 756 HG22 THR 123 1HG2 THR 123 -0.039 -3.826 4.928 757 HG23 THR 123 2HG2 THR 123 1.031 -2.888 3.875 758 H LYS 124 H LYS 124 5.148 -5.432 2.213 759 HA LYS 124 HA LYS 124 5.968 -7.794 3.333 760 HB3 LYS 124 2HB LYS 124 5.026 -8.654 0.646 761 HG3 LYS 124 2HG LYS 124 6.115 -10.009 2.585 762 HD3 LYS 124 2HD LYS 124 3.166 -9.962 3.331 763 HE3 LYS 124 2HE LYS 124 4.006 -12.329 3.147 764 HZ1 LYS 124 3HZ LYS 124 5.456 -13.016 5.009 765 HZ2 LYS 124 1HZ LYS 124 5.697 -11.454 5.394 766 HZ3 LYS 124 2HZ LYS 124 6.261 -12.060 3.944 767 H GLU 125 H GLU 125 8.109 -7.424 2.859 768 HA GLU 125 HA GLU 125 8.883 -7.286 0.049 769 HB3 GLU 125 2HB GLU 125 10.848 -5.749 0.878 770 HG3 GLU 125 2HG GLU 125 8.035 -4.639 0.479 771 H ILE 126 H ILE 126 11.326 -7.824 -0.005 772 HA ILE 126 HA ILE 126 11.587 -10.370 1.448 773 HB ILE 126 HB ILE 126 13.105 -9.218 -0.904 774 HG13 ILE 126 2HG1 ILE 126 10.692 -9.800 -1.355 775 HG21 ILE 126 1HG2 ILE 126 14.046 -11.506 -1.152 776 HG22 ILE 126 2HG2 ILE 126 14.517 -10.775 0.372 777 HG23 ILE 126 3HG2 ILE 126 13.229 -11.995 0.354 778 HD11 ILE 126 3HD1 ILE 126 12.262 -10.088 -3.212 779 HD12 ILE 126 1HD1 ILE 126 12.545 -11.778 -2.721 780 HD13 ILE 126 2HD1 ILE 126 10.942 -11.270 -3.240 Start of MODEL 5 1 H1 GLY 1 H GLY 1 3.336 -26.979 13.071 2 HA2 GLY 1 1HA GLY 1 3.641 -29.858 12.409 3 HA3 GLY 1 2HA GLY 1 3.371 -28.539 11.235 4 H ALA 2 H ALA 2 5.354 -28.954 10.072 5 HA ALA 2 HA ALA 2 7.619 -27.592 11.322 6 HB1 ALA 2 1HB ALA 2 8.335 -29.954 11.305 7 HB2 ALA 2 2HB ALA 2 7.865 -30.100 9.591 8 HB3 ALA 2 3HB ALA 2 9.192 -29.020 10.064 9 H SER 3 H SER 3 6.795 -25.729 10.366 10 HA SER 3 HA SER 3 6.526 -25.454 7.502 11 HB3 SER 3 2HB SER 3 4.135 -25.183 7.456 12 HG SER 3 HG SER 3 4.980 -27.446 7.873 13 H ASP 4 H ASP 4 6.241 -23.095 7.056 14 HA ASP 4 HA ASP 4 5.909 -21.320 9.373 15 HB3 ASP 4 2HB ASP 4 8.010 -20.030 8.295 16 H PHE 5 H PHE 5 3.908 -20.871 8.342 17 HA PHE 5 HA PHE 5 4.182 -19.056 5.992 18 HB3 PHE 5 2HB PHE 5 2.135 -20.002 5.072 19 HD1 PHE 5 1HD PHE 5 4.001 -20.185 3.400 20 HD2 PHE 5 2HD PHE 5 3.331 -23.198 6.399 21 HE1 PHE 5 1HE PHE 5 5.407 -21.791 2.109 22 HE2 PHE 5 2HE PHE 5 4.761 -24.794 5.115 23 HZ PHE 5 HZ PHE 5 5.819 -24.070 2.995 24 H GLN 6 H GLN 6 3.911 -17.164 7.166 25 HA GLN 6 HA GLN 6 1.433 -16.829 8.737 26 HB3 GLN 6 2HB GLN 6 3.091 -16.344 10.256 27 HG3 GLN 6 2HG GLN 6 4.635 -14.995 8.022 28 HE21 GLN 6 1HE2 GLN 6 5.426 -16.246 11.346 29 HE22 GLN 6 2HE2 GLN 6 6.426 -14.868 11.762 30 H THR 7 H THR 7 -0.028 -16.140 7.378 31 HA THR 7 HA THR 7 0.196 -13.513 6.213 32 HB THR 7 HB THR 7 -0.957 -14.308 4.106 33 HG1 THR 7 1HG THR 7 -0.652 -16.421 3.498 34 HG21 THR 7 3HG2 THR 7 1.004 -14.925 2.857 35 HG22 THR 7 1HG2 THR 7 1.841 -15.491 4.299 36 HG23 THR 7 2HG2 THR 7 1.512 -13.756 4.075 37 H GLY 8 H GLY 8 -2.269 -12.908 5.540 38 HA2 GLY 8 1HA GLY 8 -4.338 -14.562 6.680 39 HA3 GLY 8 2HA GLY 8 -3.982 -13.167 7.711 40 H ILE 9 H ILE 9 -4.396 -11.043 6.885 41 HA ILE 9 HA ILE 9 -5.807 -10.730 4.305 42 HB ILE 9 HB ILE 9 -6.666 -9.507 6.974 43 HG13 ILE 9 2HG1 ILE 9 -7.711 -11.916 5.494 44 HG21 ILE 9 1HG2 ILE 9 -8.581 -8.626 5.684 45 HG22 ILE 9 2HG2 ILE 9 -7.060 -8.008 5.051 46 HG23 ILE 9 3HG2 ILE 9 -7.908 -9.316 4.194 47 HD11 ILE 9 3HD1 ILE 9 -6.701 -12.192 7.799 48 HD12 ILE 9 1HD1 ILE 9 -7.951 -11.100 8.423 49 HD13 ILE 9 2HD1 ILE 9 -8.406 -12.658 7.717 50 H HIS 10 H HIS 10 -5.184 -8.612 3.357 51 HA HIS 10 HA HIS 10 -3.172 -7.073 4.947 52 HB3 HIS 10 2HB HIS 10 -2.215 -6.484 2.716 53 HD1 HIS 10 1HD HIS 10 0.202 -7.151 3.219 54 HD2 HIS 10 2HD HIS 10 -2.561 -10.326 3.493 55 HE1 HIS 10 1HE HIS 10 1.535 -9.226 3.822 56 H LYS 11 H LYS 11 -3.294 -4.769 4.687 57 HA LYS 11 HA LYS 11 -5.543 -3.681 3.152 58 HB3 LYS 11 2HB LYS 11 -6.632 -2.618 4.892 59 HG3 LYS 11 2HG LYS 11 -7.043 -5.170 5.151 60 HD3 LYS 11 2HD LYS 11 -5.347 -4.602 7.626 61 HE3 LYS 11 2HE LYS 11 -6.110 -6.829 8.433 62 HZ1 LYS 11 3HZ LYS 11 -8.469 -5.110 8.096 63 HZ2 LYS 11 1HZ LYS 11 -7.278 -4.683 9.104 64 HZ3 LYS 11 2HZ LYS 11 -8.103 -6.086 9.372 65 H ILE 12 H ILE 12 -5.435 -1.269 3.072 66 HA ILE 12 HA ILE 12 -2.954 -0.072 4.087 67 HB ILE 12 HB ILE 12 -3.839 0.334 1.211 68 HG13 ILE 12 2HG1 ILE 12 -2.082 -0.882 0.326 69 HG21 ILE 12 1HG2 ILE 12 -2.854 2.342 2.140 70 HG22 ILE 12 2HG2 ILE 12 -1.498 1.430 2.826 71 HG23 ILE 12 3HG2 ILE 12 -1.654 1.622 1.085 72 HD11 ILE 12 3HD1 ILE 12 -0.325 -2.043 1.502 73 HD12 ILE 12 1HD1 ILE 12 -0.181 -0.306 1.778 74 HD13 ILE 12 2HD1 ILE 12 -0.850 -1.352 3.050 75 H VAL 13 H VAL 13 -3.396 1.973 4.809 76 HA VAL 13 HA VAL 13 -6.074 3.209 4.343 77 HB VAL 13 HB VAL 13 -4.237 3.036 6.772 78 HG11 VAL 13 1HG1 VAL 13 -6.582 4.940 6.428 79 HG12 VAL 13 2HG1 VAL 13 -5.739 4.579 7.950 80 HG13 VAL 13 3HG1 VAL 13 -4.874 5.381 6.648 81 HG21 VAL 13 3HG2 VAL 13 -6.243 2.212 7.929 82 HG22 VAL 13 1HG2 VAL 13 -7.199 2.388 6.444 83 HG23 VAL 13 2HG2 VAL 13 -5.883 1.200 6.528 84 H ILE 14 H ILE 14 -5.998 5.438 3.818 85 HA ILE 14 HA ILE 14 -3.309 6.729 3.771 86 HB ILE 14 HB ILE 14 -5.372 6.750 1.538 87 HG13 ILE 14 2HG1 ILE 14 -3.772 4.782 1.631 88 HG21 ILE 14 1HG2 ILE 14 -3.793 8.328 0.367 89 HG22 ILE 14 2HG2 ILE 14 -4.600 9.014 1.753 90 HG23 ILE 14 3HG2 ILE 14 -2.911 8.492 1.917 91 HD11 ILE 14 3HD1 ILE 14 -4.636 5.502 -0.560 92 HD12 ILE 14 1HD1 ILE 14 -3.179 6.513 -0.769 93 HD13 ILE 14 2HD1 ILE 14 -3.025 4.761 -0.610 94 H GLN 15 H GLN 15 -3.474 9.069 4.128 95 HA GLN 15 HA GLN 15 -6.099 10.167 4.674 96 HB3 GLN 15 2HB GLN 15 -5.503 11.001 6.893 97 HG3 GLN 15 2HG GLN 15 -4.941 8.002 6.766 98 HE21 GLN 15 1HE2 GLN 15 -4.571 6.879 8.662 99 HE22 GLN 15 2HE2 GLN 15 -4.371 7.665 10.197 100 H GLN 16 H GLN 16 -5.705 12.644 5.151 101 HA GLN 16 HA GLN 16 -3.229 13.652 4.055 102 HB3 GLN 16 2HB GLN 16 -4.281 13.362 1.931 103 HG3 GLN 16 2HG GLN 16 -6.763 14.594 3.166 104 HE21 GLN 16 1HE2 GLN 16 -8.567 13.977 1.228 105 HE22 GLN 16 2HE2 GLN 16 -8.302 15.002 -0.188 106 H SER 17 H SER 17 -3.070 15.998 4.225 107 HA SER 17 HA SER 17 -5.136 17.600 5.449 108 HB3 SER 17 2HB SER 17 -3.377 18.367 7.226 109 HG SER 17 HG SER 17 -4.826 15.940 7.225 110 H GLY 18 H GLY 18 -4.184 19.937 5.586 111 HA2 GLY 18 1HA GLY 18 -2.665 21.580 4.723 112 HA3 GLY 18 2HA GLY 18 -2.150 20.453 3.474 113 H ASP 19 H ASP 19 -2.724 21.831 1.736 114 HA ASP 19 HA ASP 19 -5.471 22.798 1.399 115 HB3 ASP 19 2HB ASP 19 -3.058 22.976 -0.427 116 H THR 20 H THR 20 -6.076 20.443 1.819 117 HA THR 20 HA THR 20 -5.646 18.394 -0.037 118 HB THR 20 HB THR 20 -7.765 17.500 1.171 119 HG1 THR 20 1HG THR 20 -8.566 19.644 1.798 120 HG21 THR 20 3HG2 THR 20 -6.519 17.097 3.207 121 HG22 THR 20 1HG2 THR 20 -5.532 18.551 2.964 122 HG23 THR 20 2HG2 THR 20 -5.325 17.165 1.898 123 H ASP 21 H ASP 21 -7.523 21.230 -0.538 124 HA ASP 21 HA ASP 21 -9.610 20.048 -2.168 125 HB3 ASP 21 2HB ASP 21 -8.682 22.949 -2.249 126 H SER 22 H SER 22 -6.349 21.275 -2.737 127 HA SER 22 HA SER 22 -6.842 21.349 -5.676 128 HB3 SER 22 2HB SER 22 -4.566 22.895 -4.762 129 HG SER 22 HG SER 22 -7.146 23.778 -5.596 130 H PHE 23 H PHE 23 -5.371 19.309 -3.584 131 HA PHE 23 HA PHE 23 -2.984 18.854 -5.324 132 HB3 PHE 23 2HB PHE 23 -2.243 17.629 -3.154 133 HD1 PHE 23 2HD PHE 23 -3.461 21.240 -2.959 134 HD2 PHE 23 1HD PHE 23 -0.070 18.574 -3.163 135 HE1 PHE 23 2HE PHE 23 -1.964 23.142 -2.703 136 HE2 PHE 23 1HE PHE 23 1.435 20.512 -2.826 137 HZ PHE 23 HZ PHE 23 0.501 22.808 -2.594 138 H GLU 24 H GLU 24 -3.346 17.218 -6.692 139 HA GLU 24 HA GLU 24 -5.399 15.187 -6.204 140 HB3 GLU 24 2HB GLU 24 -3.735 14.409 -8.343 141 HG3 GLU 24 2HG GLU 24 -6.181 14.295 -8.332 142 H VAL 25 H VAL 25 -4.923 12.954 -5.924 143 HA VAL 25 HA VAL 25 -2.156 12.083 -5.530 144 HB VAL 25 HB VAL 25 -4.268 11.557 -3.411 145 HG11 VAL 25 1HG1 VAL 25 -2.353 10.631 -2.122 146 HG12 VAL 25 2HG1 VAL 25 -2.575 9.773 -3.652 147 HG13 VAL 25 3HG1 VAL 25 -1.277 10.975 -3.496 148 HG21 VAL 25 3HG2 VAL 25 -3.148 12.941 -1.858 149 HG22 VAL 25 1HG2 VAL 25 -1.903 13.394 -3.049 150 HG23 VAL 25 2HG2 VAL 25 -3.591 13.904 -3.247 151 H SER 26 H SER 26 -2.116 10.430 -6.979 152 HA SER 26 HA SER 26 -4.511 8.673 -7.261 153 HB3 SER 26 2HB SER 26 -3.850 8.290 -9.516 154 HG SER 26 HG SER 26 -4.880 10.166 -9.650 155 H VAL 27 H VAL 27 -4.189 6.780 -6.463 156 HA VAL 27 HA VAL 27 -1.456 5.584 -6.403 157 HB VAL 27 HB VAL 27 -1.753 4.724 -4.296 158 HG11 VAL 27 1HG1 VAL 27 -2.966 7.404 -3.824 159 HG12 VAL 27 2HG1 VAL 27 -1.873 6.455 -2.833 160 HG13 VAL 27 3HG1 VAL 27 -1.317 7.153 -4.369 161 HG21 VAL 27 3HG2 VAL 27 -4.717 5.354 -4.409 162 HG22 VAL 27 1HG2 VAL 27 -3.945 3.784 -4.299 163 HG23 VAL 27 2HG2 VAL 27 -3.856 4.884 -2.933 164 H SER 28 H SER 28 -1.240 3.359 -6.686 165 HA SER 28 HA SER 28 -3.378 2.089 -8.329 166 HB3 SER 28 2HB SER 28 -0.358 1.813 -8.613 167 HG SER 28 HG SER 28 -1.235 0.330 -9.841 168 H ILE 29 H ILE 29 -4.078 0.165 -7.503 169 HA ILE 29 HA ILE 29 -2.758 -0.709 -4.965 170 HB ILE 29 HB ILE 29 -5.699 -0.483 -5.728 171 HG13 ILE 29 2HG1 ILE 29 -4.332 1.734 -5.285 172 HG21 ILE 29 1HG2 ILE 29 -6.170 -0.965 -3.360 173 HG22 ILE 29 2HG2 ILE 29 -5.218 -2.279 -4.044 174 HG23 ILE 29 3HG2 ILE 29 -4.425 -1.075 -3.016 175 HD11 ILE 29 3HD1 ILE 29 -6.132 2.782 -4.039 176 HD12 ILE 29 1HD1 ILE 29 -6.786 1.729 -5.304 177 HD13 ILE 29 2HD1 ILE 29 -6.798 1.204 -3.599 178 H GLY 30 H GLY 30 -2.184 -2.860 -4.843 179 HA2 GLY 30 1HA GLY 30 -3.807 -4.893 -6.149 180 HA3 GLY 30 2HA GLY 30 -2.212 -4.675 -6.866 181 H GLY 31 H GLY 31 -2.895 -7.087 -5.818 182 HA2 GLY 31 1HA GLY 31 -0.710 -7.604 -4.002 183 HA3 GLY 31 2HA GLY 31 -2.313 -7.931 -3.296 184 H ALA 32 H ALA 32 -0.829 -10.247 -3.637 185 HA ALA 32 HA ALA 32 -2.205 -11.476 -5.966 186 HB1 ALA 32 1HB ALA 32 0.213 -10.964 -6.589 187 HB2 ALA 32 2HB ALA 32 0.659 -12.197 -5.369 188 HB3 ALA 32 3HB ALA 32 -0.355 -12.629 -6.756 189 H ASP 33 H ASP 33 -2.690 -13.601 -5.733 190 HA ASP 33 HA ASP 33 -2.901 -14.546 -2.943 191 HB3 ASP 33 2HB ASP 33 -5.006 -13.700 -4.123 192 H LYS 34 H LYS 34 -3.703 -16.968 -3.099 193 HA LYS 34 HA LYS 34 -1.483 -18.527 -4.147 194 HB3 LYS 34 2HB LYS 34 -4.126 -19.531 -3.012 195 HG3 LYS 34 2HG LYS 34 -1.349 -20.760 -2.867 196 HD3 LYS 34 2HD LYS 34 -4.079 -22.120 -2.859 197 HE3 LYS 34 2HE LYS 34 -1.410 -22.934 -1.654 198 HZ1 LYS 34 3HZ LYS 34 -3.641 -24.692 -2.337 199 HZ2 LYS 34 1HZ LYS 34 -3.513 -23.989 -0.817 200 HZ3 LYS 34 2HZ LYS 34 -2.356 -25.014 -1.390 201 H GLY 35 H GLY 35 -1.838 -17.580 -6.287 202 HA2 GLY 35 1HA GLY 35 -1.767 -18.801 -8.400 203 HA3 GLY 35 2HA GLY 35 -3.247 -19.650 -7.952 204 H GLY 36 H GLY 36 -2.731 -16.117 -7.518 205 HA2 GLY 36 1HA GLY 36 -3.707 -15.337 -10.061 206 HA3 GLY 36 2HA GLY 36 -5.068 -15.358 -8.921 207 HA PRO 37 HA PRO 37 -3.150 -11.198 -8.081 208 HB3 PRO 37 2HB PRO 37 -3.596 -10.189 -10.140 209 HG3 PRO 37 2HG PRO 37 -5.300 -11.014 -11.564 210 HD3 PRO 37 2HD PRO 37 -3.877 -12.865 -11.201 211 H ALA 38 H ALA 38 -3.971 -10.433 -6.232 212 HA ALA 38 HA ALA 38 -6.163 -11.946 -4.986 213 HB1 ALA 38 1HB ALA 38 -5.661 -10.595 -2.980 214 HB2 ALA 38 2HB ALA 38 -4.190 -11.349 -3.620 215 HB3 ALA 38 3HB ALA 38 -4.506 -9.616 -3.906 216 H LYS 39 H LYS 39 -8.239 -11.353 -5.060 217 HA LYS 39 HA LYS 39 -9.283 -8.947 -6.168 218 HB3 LYS 39 2HB LYS 39 -11.340 -9.436 -4.848 219 HG3 LYS 39 2HG LYS 39 -10.120 -11.914 -6.112 220 HD3 LYS 39 2HD LYS 39 -13.037 -11.229 -6.391 221 HE3 LYS 39 2HE LYS 39 -13.060 -13.765 -5.793 222 HZ1 LYS 39 3HZ LYS 39 -11.599 -12.872 -8.210 223 HZ2 LYS 39 1HZ LYS 39 -13.189 -13.249 -8.061 224 HZ3 LYS 39 2HZ LYS 39 -12.082 -14.439 -7.898 225 H LEU 40 H LEU 40 -9.210 -6.859 -5.472 226 HA LEU 40 HA LEU 40 -8.590 -6.268 -2.654 227 HB3 LEU 40 2HB LEU 40 -8.304 -4.009 -3.359 228 HG LEU 40 HG LEU 40 -6.589 -3.827 -4.826 229 HD11 LEU 40 1HD1 LEU 40 -6.017 -5.168 -2.812 230 HD12 LEU 40 2HD1 LEU 40 -4.962 -5.530 -4.188 231 HD13 LEU 40 3HD1 LEU 40 -6.259 -6.657 -3.756 232 HD21 LEU 40 3HD2 LEU 40 -5.961 -5.154 -6.627 233 HD22 LEU 40 1HD2 LEU 40 -7.698 -4.887 -6.758 234 HD23 LEU 40 2HD2 LEU 40 -7.079 -6.447 -6.166 235 H TYR 41 H TYR 41 -9.896 -4.514 -1.757 236 HA TYR 41 HA TYR 41 -12.742 -4.487 -2.543 237 HB3 TYR 41 2HB TYR 41 -13.200 -4.773 -0.057 238 HD1 TYR 41 1HD TYR 41 -10.643 -7.240 -1.237 239 HD2 TYR 41 2HD TYR 41 -14.812 -6.381 -0.582 240 HE1 TYR 41 1HE TYR 41 -11.222 -9.399 -2.190 241 HE2 TYR 41 2HE TYR 41 -15.417 -8.623 -1.437 242 HH TYR 41 HH TYR 41 -14.609 -10.385 -2.758 243 H ASN 42 H ASN 42 -13.741 -2.695 -2.012 244 HA ASN 42 HA ASN 42 -12.311 -0.189 -1.662 245 HB3 ASN 42 2HB ASN 42 -14.355 -0.556 -3.194 246 HD21 ASN 42 1HD2 ASN 42 -15.679 -2.397 -1.848 247 HD22 ASN 42 2HD2 ASN 42 -17.269 -1.746 -1.677 248 H ASP 43 H ASP 43 -14.555 1.107 0.000 249 HA ASP 43 HA ASP 43 -13.612 0.133 2.647 250 HB3 ASP 43 2HB ASP 43 -14.892 2.728 1.911 251 H LYS 44 H LYS 44 -16.236 -0.440 0.654 252 HA LYS 44 HA LYS 44 -18.348 -0.078 2.707 253 HB3 LYS 44 2HB LYS 44 -19.879 -0.432 0.776 254 HG3 LYS 44 2HG LYS 44 -19.153 1.613 -0.548 255 HD3 LYS 44 2HD LYS 44 -19.141 2.078 2.460 256 HE3 LYS 44 2HE LYS 44 -20.334 3.576 0.104 257 HZ1 LYS 44 3HZ LYS 44 -20.063 4.775 2.752 258 HZ2 LYS 44 1HZ LYS 44 -21.322 3.756 2.488 259 HZ3 LYS 44 2HZ LYS 44 -21.148 5.094 1.563 260 H GLY 45 H GLY 45 -16.240 -2.423 1.693 261 HA2 GLY 45 1HA GLY 45 -16.102 -4.523 2.477 262 HA3 GLY 45 2HA GLY 45 -17.861 -4.679 2.634 263 H GLU 46 H GLU 46 -16.686 -3.294 -0.406 264 HA GLU 46 HA GLU 46 -17.745 -5.802 -1.671 265 HB3 GLU 46 2HB GLU 46 -19.038 -3.523 -1.753 266 HG3 GLU 46 2HG GLU 46 -18.031 -3.647 -4.535 267 H TYR 47 H TYR 47 -16.747 -6.736 -3.334 268 HA TYR 47 HA TYR 47 -13.978 -6.215 -3.997 269 HB3 TYR 47 2HB TYR 47 -16.198 -8.058 -4.810 270 HD1 TYR 47 2HD TYR 47 -12.588 -7.930 -6.038 271 HD2 TYR 47 1HD TYR 47 -16.778 -8.335 -6.987 272 HE1 TYR 47 2HE TYR 47 -12.012 -8.638 -8.355 273 HE2 TYR 47 1HE TYR 47 -16.215 -9.039 -9.263 274 HH TYR 47 HH TYR 47 -12.965 -9.061 -10.663 275 H ILE 48 H ILE 48 -13.255 -4.833 -5.501 276 HA ILE 48 HA ILE 48 -15.106 -3.822 -7.601 277 HB ILE 48 HB ILE 48 -13.877 -1.584 -7.353 278 HG13 ILE 48 2HG1 ILE 48 -12.283 -2.662 -5.539 279 HG21 ILE 48 1HG2 ILE 48 -16.269 -1.964 -6.891 280 HG22 ILE 48 2HG2 ILE 48 -15.876 -2.463 -5.242 281 HG23 ILE 48 3HG2 ILE 48 -15.586 -0.793 -5.756 282 HD11 ILE 48 3HD1 ILE 48 -12.056 -0.431 -4.425 283 HD12 ILE 48 1HD1 ILE 48 -12.112 -0.318 -6.200 284 HD13 ILE 48 2HD1 ILE 48 -13.547 0.079 -5.234 285 H GLY 49 H GLY 49 -12.553 -5.739 -7.216 286 HA2 GLY 49 1HA GLY 49 -11.966 -6.173 -9.733 287 HA3 GLY 49 2HA GLY 49 -10.965 -4.736 -9.474 288 H ASP 50 H ASP 50 -9.611 -6.861 -10.143 289 HA ASP 50 HA ASP 50 -8.170 -7.499 -7.632 290 HB3 ASP 50 2HB ASP 50 -8.986 -9.579 -8.404 291 H SER 51 H SER 51 -8.229 -5.317 -9.926 292 HA SER 51 HA SER 51 -5.864 -4.349 -8.869 293 HB3 SER 51 2HB SER 51 -5.843 -4.878 -11.869 294 HG SER 51 HG SER 51 -4.851 -2.971 -11.856 295 H TYR 52 H TYR 52 -5.823 -2.122 -9.287 296 HA TYR 52 HA TYR 52 -7.281 -0.660 -11.165 297 HB3 TYR 52 2HB TYR 52 -9.356 -1.167 -10.162 298 HD1 TYR 52 1HD TYR 52 -8.011 0.759 -7.235 299 HD2 TYR 52 2HD TYR 52 -9.808 -2.892 -8.640 300 HE1 TYR 52 1HE TYR 52 -8.595 0.181 -4.907 301 HE2 TYR 52 2HE TYR 52 -10.415 -3.491 -6.325 302 HH TYR 52 HH TYR 52 -9.724 -1.300 -3.524 303 H SER 53 H SER 53 -7.679 1.701 -10.145 304 HA SER 53 HA SER 53 -5.656 2.510 -8.184 305 HB3 SER 53 2HB SER 53 -4.743 3.339 -10.203 306 HG SER 53 HG SER 53 -7.181 4.525 -11.055 307 H ALA 54 H ALA 54 -6.454 4.367 -6.923 308 HA ALA 54 HA ALA 54 -9.243 5.117 -7.347 309 HB1 ALA 54 1HB ALA 54 -9.468 3.074 -5.947 310 HB2 ALA 54 2HB ALA 54 -8.423 3.823 -4.712 311 HB3 ALA 54 3HB ALA 54 -9.992 4.548 -5.118 312 H GLN 55 H GLN 55 -8.960 7.297 -7.410 313 HA GLN 55 HA GLN 55 -6.737 8.659 -6.191 314 HB3 GLN 55 2HB GLN 55 -9.331 9.936 -7.073 315 HG3 GLN 55 2HG GLN 55 -6.517 10.883 -7.690 316 HE21 GLN 55 1HE2 GLN 55 -8.410 13.018 -5.752 317 HE22 GLN 55 2HE2 GLN 55 -9.036 13.957 -7.072 318 H ILE 56 H ILE 56 -6.597 9.923 -4.436 319 HA ILE 56 HA ILE 56 -8.537 9.542 -2.248 320 HB ILE 56 HB ILE 56 -6.269 11.556 -2.354 321 HG13 ILE 56 2HG1 ILE 56 -4.695 9.920 -1.500 322 HG21 ILE 56 1HG2 ILE 56 -7.570 10.029 -0.057 323 HG22 ILE 56 2HG2 ILE 56 -6.155 11.100 0.087 324 HG23 ILE 56 3HG2 ILE 56 -7.709 11.763 -0.423 325 HD11 ILE 56 3HD1 ILE 56 -6.137 8.198 -0.457 326 HD12 ILE 56 1HD1 ILE 56 -6.791 7.785 -2.069 327 HD13 ILE 56 2HD1 ILE 56 -5.089 7.504 -1.715 328 H ARG 57 H ARG 57 -10.213 10.998 -1.820 329 HA ARG 57 HA ARG 57 -10.073 13.743 -2.957 330 HB3 ARG 57 2HB ARG 57 -12.447 13.745 -3.429 331 HG3 ARG 57 2HG ARG 57 -10.907 12.887 -5.278 332 HD3 ARG 57 2HD ARG 57 -11.721 10.318 -4.074 333 HE ARG 57 HE ARG 57 -12.965 10.945 -6.545 334 HH11 ARG 57 1HH1 ARG 57 -11.070 8.278 -5.102 335 HH12 ARG 57 2HH1 ARG 57 -12.025 7.032 -5.848 336 HH21 ARG 57 1HH2 ARG 57 -14.134 9.241 -7.618 337 HH22 ARG 57 2HH2 ARG 57 -13.509 7.619 -7.557 338 H THR 58 H THR 58 -9.854 12.054 -0.235 339 HA THR 58 HA THR 58 -12.105 13.251 1.272 340 HB THR 58 HB THR 58 -12.132 10.793 2.149 341 HG1 THR 58 1HG THR 58 -10.707 9.594 1.318 342 HG21 THR 58 3HG2 THR 58 -13.898 11.690 0.685 343 HG22 THR 58 1HG2 THR 58 -13.549 9.992 0.353 344 HG23 THR 58 2HG2 THR 58 -12.939 11.247 -0.747 345 H ALA 59 H ALA 59 -11.781 13.336 3.579 346 HA ALA 59 HA ALA 59 -9.200 14.019 4.464 347 HB1 ALA 59 1HB ALA 59 -11.616 13.019 6.041 348 HB2 ALA 59 2HB ALA 59 -10.198 13.838 6.726 349 HB3 ALA 59 3HB ALA 59 -11.250 14.711 5.600 350 H THR 60 H THR 60 -10.778 10.802 4.359 351 HA THR 60 HA THR 60 -8.181 9.577 5.027 352 HB THR 60 HB THR 60 -9.420 7.838 6.287 353 HG1 THR 60 1HG THR 60 -11.486 7.805 6.206 354 HG21 THR 60 3HG2 THR 60 -9.786 9.088 8.333 355 HG22 THR 60 1HG2 THR 60 -10.010 10.598 7.439 356 HG23 THR 60 2HG2 THR 60 -8.418 9.819 7.477 357 H MET 61 H MET 61 -7.997 7.441 4.109 358 HA MET 61 HA MET 61 -10.076 6.462 2.285 359 HB3 MET 61 2HB MET 61 -7.475 5.947 1.116 360 HG3 MET 61 2HG MET 61 -8.450 7.581 -0.604 361 HE1 MET 61 3HE MET 61 -7.802 5.576 -2.118 362 HE2 MET 61 1HE MET 61 -7.475 4.624 -0.651 363 HE3 MET 61 2HE MET 61 -8.471 3.938 -1.954 364 H SER 62 H SER 62 -9.377 4.291 1.504 365 HA SER 62 HA SER 62 -7.565 2.667 2.844 366 HB3 SER 62 2HB SER 62 -8.829 2.822 4.822 367 HG SER 62 HG SER 62 -11.068 2.260 4.833 368 H CYS 63 H CYS 63 -7.649 0.471 2.139 369 HA CYS 63 HA CYS 63 -9.820 -0.632 0.622 370 HB3 CYS 63 2HB CYS 63 -8.120 -1.524 -1.144 371 HG CYS 63 HG CYS 63 -9.285 1.538 -0.955 372 H CYS 64 H CYS 64 -9.333 -3.065 0.394 373 HA CYS 64 HA CYS 64 -7.028 -4.088 1.862 374 HB3 CYS 64 2HB CYS 64 -8.438 -3.935 3.753 375 HG CYS 64 HG CYS 64 -10.702 -3.235 2.777 376 H THR 65 H THR 65 -7.274 -6.660 1.924 377 HA THR 65 HA THR 65 -8.044 -7.494 -0.817 378 HB THR 65 HB THR 65 -6.463 -9.304 -0.473 379 HG1 THR 65 1HG THR 65 -6.493 -9.848 1.588 380 HG21 THR 65 3HG2 THR 65 -5.170 -6.744 0.554 381 HG22 THR 65 1HG2 THR 65 -5.555 -7.055 -1.153 382 HG23 THR 65 2HG2 THR 65 -4.375 -8.082 -0.310 383 H ASN 66 H ASN 66 -8.977 -9.633 -0.990 384 HA ASN 66 HA ASN 66 -10.729 -10.530 1.192 385 HB3 ASN 66 2HB ASN 66 -11.189 -11.259 -1.183 386 HD21 ASN 66 1HD2 ASN 66 -8.595 -10.954 -2.279 387 HD22 ASN 66 2HD2 ASN 66 -7.939 -12.540 -2.612 388 H GLY 67 H GLY 67 -10.287 -12.764 2.136 389 HA2 GLY 67 1HA GLY 67 -7.721 -12.723 3.477 390 HA3 GLY 67 2HA GLY 67 -9.040 -13.869 3.740 391 H ASN 68 H ASN 68 -7.288 -13.164 0.697 392 HA ASN 68 HA ASN 68 -5.591 -15.477 0.914 393 HB3 ASN 68 2HB ASN 68 -7.601 -15.396 -1.374 394 HD21 ASN 68 1HD2 ASN 68 -7.487 -17.488 -2.637 395 HD22 ASN 68 2HD2 ASN 68 -5.874 -18.001 -3.115 396 H ALA 69 H ALA 69 -4.076 -13.843 0.989 397 HA ALA 69 HA ALA 69 -3.111 -13.005 -1.553 398 HB1 ALA 69 1HB ALA 69 -2.904 -10.653 -1.157 399 HB2 ALA 69 2HB ALA 69 -4.613 -11.046 -0.902 400 HB3 ALA 69 3HB ALA 69 -3.545 -10.778 0.487 401 H PHE 70 H PHE 70 -0.856 -12.903 -1.384 402 HA PHE 70 HA PHE 70 0.418 -13.630 1.187 403 HB3 PHE 70 2HB PHE 70 2.487 -13.601 -0.346 404 HD1 PHE 70 2HD PHE 70 2.537 -15.604 1.059 405 HD2 PHE 70 1HD PHE 70 -0.036 -15.345 -2.390 406 HE1 PHE 70 2HE PHE 70 2.196 -18.061 1.135 407 HE2 PHE 70 1HE PHE 70 -0.377 -17.799 -2.308 408 HZ PHE 70 HZ PHE 70 0.730 -19.165 -0.556 409 H PHE 71 H PHE 71 -0.191 -10.766 -0.763 410 HA PHE 71 HA PHE 71 1.036 -9.106 1.210 411 HB3 PHE 71 2HB PHE 71 2.992 -9.716 -0.293 412 HD1 PHE 71 2HD PHE 71 2.310 -10.906 -2.418 413 HD2 PHE 71 1HD PHE 71 2.153 -6.619 -2.003 414 HE1 PHE 71 2HE PHE 71 2.158 -10.667 -4.875 415 HE2 PHE 71 1HE PHE 71 1.973 -6.396 -4.477 416 HZ PHE 71 HZ PHE 71 1.955 -8.417 -5.910 417 H MET 72 H MET 72 0.588 -6.770 0.598 418 HA MET 72 HA MET 72 -1.103 -6.292 -1.719 419 HB3 MET 72 2HB MET 72 -1.731 -5.150 1.036 420 HG3 MET 72 2HG MET 72 -3.259 -4.857 -1.573 421 HE1 MET 72 3HE MET 72 -5.889 -2.245 -0.118 422 HE2 MET 72 1HE MET 72 -4.272 -1.910 -0.769 423 HE3 MET 72 2HE MET 72 -5.337 -3.080 -1.587 424 H THR 73 H THR 73 -0.551 -4.150 -2.548 425 HA THR 73 HA THR 73 1.451 -2.647 -1.028 426 HB THR 73 HB THR 73 2.581 -4.370 -2.504 427 HG1 THR 73 1HG THR 73 3.944 -2.662 -3.481 428 HG21 THR 73 3HG2 THR 73 1.041 -4.185 -4.477 429 HG22 THR 73 1HG2 THR 73 2.758 -4.004 -4.866 430 HG23 THR 73 2HG2 THR 73 1.709 -2.572 -4.798 431 H CYS 74 H CYS 74 1.676 -0.515 -1.835 432 HA CYS 74 HA CYS 74 -0.585 0.534 -3.391 433 HB3 CYS 74 2HB CYS 74 -0.270 2.122 -0.988 434 HG CYS 74 HG CYS 74 -2.404 1.849 -2.647 435 H ALA 75 H ALA 75 1.157 1.008 -4.958 436 HA ALA 75 HA ALA 75 3.156 3.073 -4.279 437 HB1 ALA 75 1HB ALA 75 3.643 2.986 -6.669 438 HB2 ALA 75 2HB ALA 75 3.660 1.351 -5.985 439 HB3 ALA 75 3HB ALA 75 2.262 1.899 -6.942 440 H GLY 76 H GLY 76 3.009 5.347 -5.177 441 HA2 GLY 76 1HA GLY 76 0.604 6.038 -6.609 442 HA3 GLY 76 2HA GLY 76 0.629 6.591 -4.918 443 H SER 77 H SER 77 0.387 8.463 -6.686 444 HA SER 77 HA SER 77 2.903 9.955 -6.638 445 HB3 SER 77 2HB SER 77 1.338 9.121 -9.102 446 HG SER 77 HG SER 77 3.152 10.627 -9.950 447 H VAL 78 H VAL 78 2.556 12.053 -6.664 448 HA VAL 78 HA VAL 78 -0.208 13.140 -6.216 449 HB VAL 78 HB VAL 78 0.637 12.560 -4.039 450 HG11 VAL 78 1HG1 VAL 78 3.152 14.102 -4.707 451 HG12 VAL 78 2HG1 VAL 78 2.732 13.461 -3.118 452 HG13 VAL 78 3HG1 VAL 78 3.029 12.338 -4.432 453 HG21 VAL 78 3HG2 VAL 78 0.847 14.672 -2.813 454 HG22 VAL 78 1HG2 VAL 78 1.141 15.541 -4.324 455 HG23 VAL 78 2HG2 VAL 78 -0.431 14.753 -4.010 456 H SER 79 H SER 79 -0.501 15.147 -7.176 457 HA SER 79 HA SER 79 1.848 16.727 -7.922 458 HB3 SER 79 2HB SER 79 -0.231 15.887 -9.967 459 HG SER 79 HG SER 79 2.157 17.408 -10.141 460 H SER 80 H SER 80 1.310 18.917 -8.520 461 HA SER 80 HA SER 80 -1.428 19.861 -8.134 462 HB3 SER 80 2HB SER 80 0.760 20.843 -6.245 463 HG SER 80 HG SER 80 -1.288 21.330 -5.067 464 H ILE 81 H ILE 81 -1.681 21.944 -8.945 465 HA ILE 81 HA ILE 81 0.629 23.362 -10.144 466 HB ILE 81 HB ILE 81 -0.987 24.071 -11.928 467 HG13 ILE 81 2HG1 ILE 81 -2.983 23.196 -12.395 468 HG21 ILE 81 1HG2 ILE 81 0.817 22.561 -12.339 469 HG22 ILE 81 2HG2 ILE 81 -0.193 21.153 -11.943 470 HG23 ILE 81 3HG2 ILE 81 -0.571 22.202 -13.350 471 HD11 ILE 81 3HD1 ILE 81 -4.010 21.145 -11.427 472 HD12 ILE 81 1HD1 ILE 81 -2.626 20.815 -12.477 473 HD13 ILE 81 2HD1 ILE 81 -2.441 20.720 -10.716 474 H SER 82 H SER 82 -1.379 23.480 -7.626 475 HA SER 82 HA SER 82 -2.743 25.981 -7.885 476 HB3 SER 82 2HB SER 82 -3.583 24.451 -6.284 477 HG SER 82 HG SER 82 -1.811 23.172 -5.770 478 H GLU 83 H GLU 83 -2.252 27.711 -6.204 479 HA GLU 83 HA GLU 83 0.211 28.806 -7.147 480 HB3 GLU 83 2HB GLU 83 -1.185 30.496 -6.752 481 HG3 GLU 83 2HG GLU 83 -2.417 30.906 -4.501 482 H ALA 84 H ALA 84 1.746 29.903 -5.762 483 HA ALA 84 HA ALA 84 2.981 28.067 -4.184 484 HB1 ALA 84 1HB ALA 84 4.175 29.986 -5.300 485 HB2 ALA 84 2HB ALA 84 3.370 31.114 -4.194 486 HB3 ALA 84 3HB ALA 84 4.570 29.976 -3.566 487 H GLY 85 H GLY 85 3.598 28.109 -1.909 488 HA2 GLY 85 1HA GLY 85 3.346 28.431 0.313 489 HA3 GLY 85 2HA GLY 85 2.294 29.808 -0.008 490 H LYS 86 H LYS 86 1.055 27.130 -1.650 491 HA LYS 86 HA LYS 86 -0.859 26.360 0.479 492 HB3 LYS 86 2HB LYS 86 -1.921 24.993 -1.192 493 HG3 LYS 86 2HG LYS 86 -2.406 26.496 -3.086 494 HD3 LYS 86 2HD LYS 86 -2.498 28.727 -1.320 495 HE3 LYS 86 2HE LYS 86 -4.861 27.957 -0.843 496 HZ1 LYS 86 3HZ LYS 86 -4.011 27.919 -3.685 497 HZ2 LYS 86 1HZ LYS 86 -4.521 29.238 -2.824 498 HZ3 LYS 86 2HZ LYS 86 -5.528 27.996 -3.211 499 H ARG 87 H ARG 87 -0.955 23.798 0.754 500 HA ARG 87 HA ARG 87 1.707 22.627 0.723 501 HB3 ARG 87 2HB ARG 87 1.680 24.325 2.623 502 HG3 ARG 87 2HG ARG 87 -0.217 22.303 3.899 503 HD3 ARG 87 2HD ARG 87 1.066 24.852 4.962 504 HE ARG 87 HE ARG 87 -0.167 22.927 6.762 505 HH11 ARG 87 1HH1 ARG 87 -0.795 25.862 4.834 506 HH12 ARG 87 2HH1 ARG 87 -1.967 26.509 5.887 507 HH21 ARG 87 1HH2 ARG 87 -1.999 23.622 8.001 508 HH22 ARG 87 2HH2 ARG 87 -2.591 25.249 7.813 509 H LEU 88 H LEU 88 1.618 20.457 2.230 510 HA LEU 88 HA LEU 88 -0.982 19.285 2.278 511 HB3 LEU 88 2HB LEU 88 1.014 17.945 0.480 512 HG LEU 88 HG LEU 88 -1.131 16.805 1.356 513 HD11 LEU 88 1HD1 LEU 88 -2.711 18.649 1.210 514 HD12 LEU 88 2HD1 LEU 88 -3.215 17.412 0.073 515 HD13 LEU 88 3HD1 LEU 88 -2.372 18.874 -0.496 516 HD21 LEU 88 3HD2 LEU 88 -0.668 17.008 -1.632 517 HD22 LEU 88 1HD2 LEU 88 -1.626 15.762 -0.823 518 HD23 LEU 88 2HD2 LEU 88 0.106 15.884 -0.498 519 H HIS 89 H HIS 89 -0.876 17.294 3.446 520 HA HIS 89 HA HIS 89 1.778 16.195 4.122 521 HB3 HIS 89 2HB HIS 89 -0.357 16.850 6.177 522 HD1 HIS 89 1HD HIS 89 3.129 17.019 7.361 523 HD2 HIS 89 2HD HIS 89 0.272 13.962 6.712 524 HE1 HIS 89 1HE HIS 89 3.867 14.998 8.742 525 H ILE 90 H ILE 90 1.683 14.052 3.852 526 HA ILE 90 HA ILE 90 -0.994 12.738 3.559 527 HB ILE 90 HB ILE 90 1.514 12.538 1.887 528 HG13 ILE 90 2HG1 ILE 90 0.259 13.340 0.185 529 HG21 ILE 90 1HG2 ILE 90 0.377 10.601 0.700 530 HG22 ILE 90 2HG2 ILE 90 0.997 10.227 2.300 531 HG23 ILE 90 3HG2 ILE 90 -0.735 10.496 2.083 532 HD11 ILE 90 3HD1 ILE 90 -2.267 12.271 1.446 533 HD12 ILE 90 1HD1 ILE 90 -2.260 13.443 0.119 534 HD13 ILE 90 2HD1 ILE 90 -1.535 11.840 -0.127 535 H THR 91 H THR 91 -1.278 11.351 4.964 536 HA THR 91 HA THR 91 0.971 9.967 6.376 537 HB THR 91 HB THR 91 -1.939 10.044 7.120 538 HG1 THR 91 1HG THR 91 -1.131 11.501 8.846 539 HG21 THR 91 3HG2 THR 91 -1.194 9.341 9.376 540 HG22 THR 91 1HG2 THR 91 0.482 9.281 8.803 541 HG23 THR 91 2HG2 THR 91 -0.729 8.163 8.144 542 H VAL 92 H VAL 92 1.159 7.676 6.014 543 HA VAL 92 HA VAL 92 -0.959 6.425 4.405 544 HB VAL 92 HB VAL 92 1.267 7.667 3.386 545 HG11 VAL 92 1HG1 VAL 92 2.939 6.435 4.464 546 HG12 VAL 92 2HG1 VAL 92 2.410 4.960 3.727 547 HG13 VAL 92 3HG1 VAL 92 3.031 6.268 2.692 548 HG21 VAL 92 3HG2 VAL 92 0.802 6.457 1.351 549 HG22 VAL 92 1HG2 VAL 92 -0.281 5.385 2.315 550 HG23 VAL 92 2HG2 VAL 92 -0.572 7.139 2.267 551 H ILE 93 H ILE 93 -1.274 4.264 5.161 552 HA ILE 93 HA ILE 93 0.813 3.189 6.962 553 HB ILE 93 HB ILE 93 -2.114 3.326 7.748 554 HG13 ILE 93 2HG1 ILE 93 -1.277 5.649 7.667 555 HG21 ILE 93 1HG2 ILE 93 -1.272 2.634 9.965 556 HG22 ILE 93 2HG2 ILE 93 -0.702 1.499 8.754 557 HG23 ILE 93 3HG2 ILE 93 0.400 2.728 9.393 558 HD11 ILE 93 3HD1 ILE 93 -1.744 6.374 9.851 559 HD12 ILE 93 1HD1 ILE 93 -2.804 4.992 9.484 560 HD13 ILE 93 2HD1 ILE 93 -1.379 4.784 10.533 561 H GLY 94 H GLY 94 0.914 0.989 6.899 562 HA2 GLY 94 1HA GLY 94 -0.954 -0.454 5.043 563 HA3 GLY 94 2HA GLY 94 0.784 -0.796 5.137 564 H TYR 95 H TYR 95 -1.693 -2.480 5.789 565 HA TYR 95 HA TYR 95 -0.979 -3.227 8.564 566 HB3 TYR 95 2HB TYR 95 -3.503 -3.784 8.726 567 HD1 TYR 95 2HD TYR 95 -2.970 -0.216 7.642 568 HD2 TYR 95 1HD TYR 95 -3.696 -2.971 10.887 569 HE1 TYR 95 2HE TYR 95 -3.358 1.687 9.180 570 HE2 TYR 95 1HE TYR 95 -4.003 -1.081 12.435 571 HH TYR 95 HH TYR 95 -3.969 1.255 12.694 572 H ILE 96 H ILE 96 -1.363 -5.393 9.108 573 HA ILE 96 HA ILE 96 -2.266 -7.234 7.008 574 HB ILE 96 HB ILE 96 0.191 -7.718 8.741 575 HG13 ILE 96 2HG1 ILE 96 0.672 -6.261 6.817 576 HG21 ILE 96 1HG2 ILE 96 0.281 -9.932 7.655 577 HG22 ILE 96 2HG2 ILE 96 -1.274 -9.748 8.418 578 HG23 ILE 96 3HG2 ILE 96 -1.140 -9.535 6.659 579 HD11 ILE 96 3HD1 ILE 96 2.319 -7.558 5.578 580 HD12 ILE 96 1HD1 ILE 96 2.442 -7.907 7.312 581 HD13 ILE 96 2HD1 ILE 96 1.681 -9.067 6.209 582 H ASP 97 H ASP 97 -3.870 -8.276 7.865 583 HA ASP 97 HA ASP 97 -5.458 -9.025 9.359 584 HB3 ASP 97 2HB ASP 97 -2.867 -10.348 10.195 585 H ASP 98 H ASP 98 -5.756 -6.869 10.327 586 HA ASP 98 HA ASP 98 -6.405 -5.706 12.104 587 HB3 ASP 98 2HB ASP 98 -5.442 -7.842 14.002 588 H LYS 99 H LYS 99 -3.124 -6.104 11.552 589 HA LYS 99 HA LYS 99 -2.353 -4.178 13.732 590 HB3 LYS 99 2HB LYS 99 -0.096 -5.231 13.516 591 HG3 LYS 99 2HG LYS 99 -2.514 -6.731 14.559 592 HD3 LYS 99 2HD LYS 99 -0.866 -8.274 15.673 593 HE3 LYS 99 2HE LYS 99 -0.075 -9.464 13.472 594 HZ1 LYS 99 3HZ LYS 99 -2.977 -9.107 13.529 595 HZ2 LYS 99 1HZ LYS 99 -2.220 -10.013 14.716 596 HZ3 LYS 99 2HZ LYS 99 -2.123 -10.408 13.132 597 H GLU 100 H GLU 100 -0.696 -2.623 13.098 598 HA GLU 100 HA GLU 100 -0.534 -2.160 10.205 599 HB3 GLU 100 2HB GLU 100 -1.018 -0.277 11.780 600 HG3 GLU 100 2HG GLU 100 1.108 0.929 12.443 601 H VAL 101 H VAL 101 1.425 -2.134 9.058 602 HA VAL 101 HA VAL 101 3.852 -3.263 10.373 603 HB VAL 101 HB VAL 101 4.195 -4.773 8.541 604 HG11 VAL 101 1HG1 VAL 101 2.903 -5.534 10.526 605 HG12 VAL 101 2HG1 VAL 101 1.385 -5.214 9.642 606 HG13 VAL 101 3HG1 VAL 101 2.532 -6.434 9.051 607 HG21 VAL 101 3HG2 VAL 101 1.452 -4.007 7.450 608 HG22 VAL 101 1HG2 VAL 101 3.005 -3.485 6.750 609 HG23 VAL 101 2HG2 VAL 101 2.616 -5.194 6.797 610 H ASN 102 H ASN 102 2.699 -0.529 8.882 611 HA ASN 102 HA ASN 102 5.291 0.197 7.854 612 HB3 ASN 102 2HB ASN 102 3.107 0.144 5.716 613 HD21 ASN 102 1HD2 ASN 102 4.634 -0.674 3.641 614 HD22 ASN 102 2HD2 ASN 102 5.964 0.414 3.350 615 H ARG 103 H ARG 103 5.382 2.481 7.866 616 HA ARG 103 HA ARG 103 3.180 3.993 6.935 617 HB3 ARG 103 2HB ARG 103 2.226 4.062 9.121 618 HG3 ARG 103 2HG ARG 103 5.035 4.406 10.240 619 HD3 ARG 103 2HD ARG 103 2.333 4.816 11.565 620 HE ARG 103 HE ARG 103 4.988 5.029 12.911 621 HH11 ARG 103 1HH1 ARG 103 1.565 3.960 13.102 622 HH12 ARG 103 2HH1 ARG 103 1.826 3.167 14.630 623 HH21 ARG 103 1HH2 ARG 103 5.161 3.997 15.047 624 HH22 ARG 103 2HH2 ARG 103 3.747 3.163 15.655 625 H LEU 104 H LEU 104 3.830 5.999 6.172 626 HA LEU 104 HA LEU 104 6.268 7.175 7.139 627 HB3 LEU 104 2HB LEU 104 7.221 5.501 5.630 628 HG LEU 104 HG LEU 104 5.248 6.133 3.806 629 HD11 LEU 104 1HD1 LEU 104 6.298 7.288 1.939 630 HD12 LEU 104 2HD1 LEU 104 7.895 7.248 2.737 631 HD13 LEU 104 3HD1 LEU 104 6.637 8.274 3.393 632 HD21 LEU 104 3HD2 LEU 104 6.512 4.705 2.242 633 HD22 LEU 104 1HD2 LEU 104 6.489 4.026 3.874 634 HD23 LEU 104 2HD2 LEU 104 7.952 4.833 3.276 635 H GLU 105 H GLU 105 5.551 9.220 7.404 636 HA GLU 105 HA GLU 105 3.398 10.193 5.740 637 HB3 GLU 105 2HB GLU 105 3.806 12.342 7.004 638 HG3 GLU 105 2HG GLU 105 2.193 10.606 7.895 639 H LYS 106 H LYS 106 3.670 12.271 4.519 640 HA LYS 106 HA LYS 106 6.431 13.017 3.893 641 HB3 LYS 106 2HB LYS 106 5.709 13.846 1.619 642 HG3 LYS 106 2HG LYS 106 7.229 11.931 1.781 643 HD3 LYS 106 2HD LYS 106 6.022 10.162 2.710 644 HE3 LYS 106 2HE LYS 106 3.937 10.410 0.504 645 HZ1 LYS 106 3HZ LYS 106 2.760 8.856 1.959 646 HZ2 LYS 106 1HZ LYS 106 4.027 8.801 3.004 647 HZ3 LYS 106 2HZ LYS 106 4.201 8.194 1.491 648 H GLU 107 H GLU 107 6.256 15.324 2.951 649 HA GLU 107 HA GLU 107 3.863 16.816 3.700 650 HB3 GLU 107 2HB GLU 107 6.572 17.702 4.761 651 HG3 GLU 107 2HG GLU 107 3.700 18.496 5.227 652 H TYR 108 H TYR 108 3.541 18.360 1.988 653 HA TYR 108 HA TYR 108 5.933 19.180 0.451 654 HB3 TYR 108 2HB TYR 108 4.841 18.890 -1.592 655 HD1 TYR 108 2HD TYR 108 6.514 16.834 -1.166 656 HD2 TYR 108 1HD TYR 108 2.261 16.761 -0.628 657 HE1 TYR 108 2HE TYR 108 6.510 14.354 -1.451 658 HE2 TYR 108 1HE TYR 108 2.248 14.297 -0.829 659 HH TYR 108 HH TYR 108 3.499 12.423 -1.155 660 H ILE 109 H ILE 109 5.528 21.147 -0.793 661 HA ILE 109 HA ILE 109 3.525 23.013 0.141 662 HB ILE 109 HB ILE 109 6.468 23.753 0.278 663 HG13 ILE 109 2HG1 ILE 109 6.031 22.073 2.068 664 HG21 ILE 109 1HG2 ILE 109 5.631 25.767 1.414 665 HG22 ILE 109 2HG2 ILE 109 4.805 25.580 -0.105 666 HG23 ILE 109 3HG2 ILE 109 3.974 25.123 1.385 667 HD11 ILE 109 3HD1 ILE 109 7.640 23.925 2.448 668 HD12 ILE 109 1HD1 ILE 109 6.341 24.816 3.279 669 HD13 ILE 109 2HD1 ILE 109 6.880 23.261 3.911 670 H THR 110 H THR 110 3.103 24.490 -1.582 671 HA THR 110 HA THR 110 4.478 24.020 -4.157 672 HB THR 110 HB THR 110 2.674 26.029 -4.672 673 HG1 THR 110 1HG THR 110 1.021 25.977 -3.499 674 HG21 THR 110 3HG2 THR 110 1.976 23.069 -4.393 675 HG22 THR 110 1HG2 THR 110 2.646 23.876 -5.829 676 HG23 THR 110 2HG2 THR 110 1.016 24.293 -5.271 677 H ASP 111 H ASP 111 5.781 25.580 -5.102 678 HA ASP 111 HA ASP 111 5.920 28.221 -3.770 679 HB3 ASP 111 2HB ASP 111 8.473 27.118 -4.899 680 H GLY 112 H GLY 112 4.756 26.805 -6.313 681 HA2 GLY 112 1HA GLY 112 3.811 28.044 -8.092 682 HA3 GLY 112 2HA GLY 112 5.122 29.220 -7.998 683 H ASN 113 H ASN 113 6.237 25.958 -7.884 684 HA ASN 113 HA ASN 113 6.818 25.755 -10.778 685 HB3 ASN 113 2HB ASN 113 8.179 23.829 -10.026 686 HD21 ASN 113 1HD2 ASN 113 9.685 24.423 -7.401 687 HD22 ASN 113 2HD2 ASN 113 10.576 25.903 -7.763 688 H THR 114 H THR 114 6.215 23.390 -11.601 689 HA THR 114 HA THR 114 3.645 22.501 -10.553 690 HB THR 114 HB THR 114 4.884 20.243 -11.730 691 HG1 THR 114 1HG THR 114 6.478 21.537 -12.721 692 HG21 THR 114 3HG2 THR 114 3.222 20.636 -13.519 693 HG22 THR 114 1HG2 THR 114 3.019 22.309 -12.963 694 HG23 THR 114 2HG2 THR 114 2.532 20.945 -11.922 695 H LEU 115 H LEU 115 3.242 20.939 -8.992 696 HA LEU 115 HA LEU 115 5.620 19.937 -7.499 697 HB3 LEU 115 2HB LEU 115 2.716 19.779 -6.608 698 HG LEU 115 HG LEU 115 5.411 19.120 -5.496 699 HD11 LEU 115 1HD1 LEU 115 3.484 20.334 -3.511 700 HD12 LEU 115 2HD1 LEU 115 4.737 21.308 -4.326 701 HD13 LEU 115 3HD1 LEU 115 5.219 19.937 -3.366 702 HD21 LEU 115 3HD2 LEU 115 4.142 17.588 -4.067 703 HD22 LEU 115 1HD2 LEU 115 3.636 17.402 -5.749 704 HD23 LEU 115 2HD2 LEU 115 2.607 18.298 -4.618 705 H ILE 116 H ILE 116 6.077 17.789 -7.510 706 HA ILE 116 HA ILE 116 4.045 15.926 -8.126 707 HB ILE 116 HB ILE 116 6.554 15.804 -9.817 708 HG13 ILE 116 2HG1 ILE 116 5.066 17.468 -10.681 709 HG21 ILE 116 1HG2 ILE 116 5.767 13.553 -9.144 710 HG22 ILE 116 2HG2 ILE 116 4.102 13.968 -9.604 711 HG23 ILE 116 3HG2 ILE 116 5.361 13.777 -10.828 712 HD11 ILE 116 3HD1 ILE 116 4.707 16.766 -12.923 713 HD12 ILE 116 1HD1 ILE 116 6.191 15.962 -12.376 714 HD13 ILE 116 2HD1 ILE 116 4.657 15.062 -12.472 715 H GLU 117 H GLU 117 4.524 14.105 -7.012 716 HA GLU 117 HA GLU 117 7.170 13.433 -6.027 717 HB3 GLU 117 2HB GLU 117 5.694 13.399 -3.620 718 HG3 GLU 117 2HG GLU 117 7.524 15.293 -3.181 719 H THR 118 H THR 118 7.023 11.302 -4.714 720 HA THR 118 HA THR 118 4.715 9.607 -5.515 721 HB THR 118 HB THR 118 6.214 7.904 -6.419 722 HG1 THR 118 1HG THR 118 8.194 9.937 -6.331 723 HG21 THR 118 3HG2 THR 118 5.108 9.500 -7.986 724 HG22 THR 118 1HG2 THR 118 6.649 8.856 -8.607 725 HG23 THR 118 2HG2 THR 118 6.562 10.501 -7.956 726 H PHE 119 H PHE 119 4.642 7.638 -4.408 727 HA PHE 119 HA PHE 119 6.514 7.161 -2.220 728 HB3 PHE 119 2HB PHE 119 5.085 8.746 -1.099 729 HD1 PHE 119 1HD PHE 119 2.498 6.085 -1.150 730 HD2 PHE 119 2HD PHE 119 3.578 10.021 -2.573 731 HE1 PHE 119 1HE PHE 119 0.178 6.466 -1.881 732 HE2 PHE 119 2HE PHE 119 1.213 10.391 -3.298 733 HZ PHE 119 HZ PHE 119 -0.469 8.634 -2.929 734 H SER 120 H SER 120 5.781 5.129 -1.003 735 HA SER 120 HA SER 120 4.010 3.314 -2.482 736 HB3 SER 120 2HB SER 120 7.027 3.164 -2.247 737 HG SER 120 HG SER 120 5.322 0.940 -2.815 738 H VAL 121 H VAL 121 3.147 1.813 -1.207 739 HA VAL 121 HA VAL 121 4.145 1.459 1.566 740 HB VAL 121 HB VAL 121 1.180 1.650 0.914 741 HG11 VAL 121 1HG1 VAL 121 2.727 1.919 3.533 742 HG12 VAL 121 2HG1 VAL 121 0.959 1.826 3.315 743 HG13 VAL 121 3HG1 VAL 121 1.971 0.410 2.964 744 HG21 VAL 121 3HG2 VAL 121 3.037 3.815 1.907 745 HG22 VAL 121 1HG2 VAL 121 1.986 3.871 0.465 746 HG23 VAL 121 2HG2 VAL 121 1.262 3.835 2.079 747 H SER 122 H SER 122 5.168 -0.392 0.821 748 HA SER 122 HA SER 122 3.685 -2.681 -0.190 749 HB3 SER 122 2HB SER 122 5.967 -2.760 -0.649 750 HG SER 122 HG SER 122 7.569 -2.188 0.885 751 H THR 123 H THR 123 3.504 -4.580 1.336 752 HA THR 123 HA THR 123 3.622 -3.776 4.201 753 HB THR 123 HB THR 123 1.740 -5.483 4.640 754 HG1 THR 123 1HG THR 123 1.281 -5.054 1.866 755 HG21 THR 123 3HG2 THR 123 -0.089 -3.911 4.160 756 HG22 THR 123 1HG2 THR 123 1.005 -2.965 3.123 757 HG23 THR 123 2HG2 THR 123 1.327 -3.098 4.857 758 H LYS 124 H LYS 124 4.626 -5.821 1.685 759 HA LYS 124 HA LYS 124 5.871 -7.750 3.513 760 HB3 LYS 124 2HB LYS 124 4.588 -8.931 1.138 761 HG3 LYS 124 2HG LYS 124 3.469 -10.233 3.212 762 HD3 LYS 124 2HD LYS 124 6.302 -10.912 2.367 763 HE3 LYS 124 2HE LYS 124 5.183 -13.212 2.354 764 HZ1 LYS 124 3HZ LYS 124 6.506 -12.596 4.274 765 HZ2 LYS 124 1HZ LYS 124 5.205 -13.468 4.739 766 HZ3 LYS 124 2HZ LYS 124 5.248 -11.858 5.003 767 H GLU 125 H GLU 125 7.925 -7.617 2.934 768 HA GLU 125 HA GLU 125 8.733 -8.029 0.216 769 HB3 GLU 125 2HB GLU 125 10.027 -5.573 1.380 770 HG3 GLU 125 2HG GLU 125 9.177 -6.573 -1.376 771 H ILE 126 H ILE 126 11.460 -7.595 0.542 772 HA ILE 126 HA ILE 126 12.206 -9.480 2.675 773 HB ILE 126 HB ILE 126 14.508 -9.024 1.872 774 HG13 ILE 126 2HG1 ILE 126 14.080 -6.724 0.935 775 HG21 ILE 126 1HG2 ILE 126 12.620 -9.913 -0.365 776 HG22 ILE 126 2HG2 ILE 126 14.301 -10.427 -0.110 777 HG23 ILE 126 3HG2 ILE 126 13.054 -10.906 1.042 778 HD11 ILE 126 3HD1 ILE 126 16.093 -8.040 0.313 779 HD12 ILE 126 1HD1 ILE 126 15.237 -8.596 -1.145 780 HD13 ILE 126 2HD1 ILE 126 15.579 -6.870 -0.925 Start of MODEL 6 1 H1 GLY 1 H GLY 1 8.395 -25.236 7.393 2 HA2 GLY 1 1HA GLY 1 10.162 -27.517 8.115 3 HA3 GLY 1 2HA GLY 1 10.104 -26.748 6.503 4 H ALA 2 H ALA 2 11.528 -25.121 6.137 5 HA ALA 2 HA ALA 2 11.878 -23.118 8.249 6 HB1 ALA 2 1HB ALA 2 14.247 -24.282 6.739 7 HB2 ALA 2 2HB ALA 2 14.275 -22.852 7.797 8 HB3 ALA 2 3HB ALA 2 13.917 -24.447 8.486 9 H SER 3 H SER 3 10.022 -22.779 6.563 10 HA SER 3 HA SER 3 11.054 -20.578 5.033 11 HB3 SER 3 2HB SER 3 8.916 -22.267 3.722 12 HG SER 3 HG SER 3 10.876 -20.392 2.795 13 H ASP 4 H ASP 4 9.237 -18.931 4.787 14 HA ASP 4 HA ASP 4 7.847 -19.080 7.420 15 HB3 ASP 4 2HB ASP 4 9.319 -16.714 6.206 16 H PHE 5 H PHE 5 5.706 -18.845 7.249 17 HA PHE 5 HA PHE 5 4.604 -17.226 5.001 18 HB3 PHE 5 2HB PHE 5 2.918 -18.877 4.688 19 HD1 PHE 5 2HD PHE 5 5.387 -18.346 3.145 20 HD2 PHE 5 1HD PHE 5 4.298 -21.874 5.388 21 HE1 PHE 5 2HE PHE 5 6.922 -19.694 1.790 22 HE2 PHE 5 1HE PHE 5 5.779 -23.237 3.956 23 HZ PHE 5 HZ PHE 5 7.099 -22.156 2.139 24 H GLN 6 H GLN 6 4.183 -15.422 6.143 25 HA GLN 6 HA GLN 6 2.114 -15.527 8.290 26 HB3 GLN 6 2HB GLN 6 3.079 -13.185 8.723 27 HG3 GLN 6 2HG GLN 6 5.348 -14.594 9.632 28 HE21 GLN 6 1HE2 GLN 6 2.126 -15.481 10.936 29 HE22 GLN 6 2HE2 GLN 6 2.178 -14.309 12.232 30 H THR 7 H THR 7 0.254 -15.302 7.176 31 HA THR 7 HA THR 7 -0.173 -12.859 5.894 32 HB THR 7 HB THR 7 0.856 -14.095 3.986 33 HG1 THR 7 1HG THR 7 -1.025 -13.534 2.575 34 HG21 THR 7 3HG2 THR 7 -1.774 -15.574 3.948 35 HG22 THR 7 1HG2 THR 7 -0.231 -16.300 4.461 36 HG23 THR 7 2HG2 THR 7 -0.462 -15.739 2.788 37 H GLY 8 H GLY 8 -2.514 -13.050 4.772 38 HA2 GLY 8 1HA GLY 8 -4.748 -14.272 5.747 39 HA3 GLY 8 2HA GLY 8 -4.253 -13.157 7.046 40 H ILE 9 H ILE 9 -4.910 -11.048 6.776 41 HA ILE 9 HA ILE 9 -6.073 -10.268 4.151 42 HB ILE 9 HB ILE 9 -7.150 -9.285 6.806 43 HG13 ILE 9 2HG1 ILE 9 -7.807 -11.973 5.592 44 HG21 ILE 9 1HG2 ILE 9 -8.300 -9.602 4.022 45 HG22 ILE 9 2HG2 ILE 9 -9.186 -8.962 5.408 46 HG23 ILE 9 3HG2 ILE 9 -7.791 -8.080 4.780 47 HD11 ILE 9 3HD1 ILE 9 -6.532 -12.086 7.703 48 HD12 ILE 9 1HD1 ILE 9 -7.569 -10.847 8.432 49 HD13 ILE 9 2HD1 ILE 9 -8.214 -12.451 8.076 50 H HIS 10 H HIS 10 -4.705 -8.753 3.315 51 HA HIS 10 HA HIS 10 -3.128 -6.959 5.045 52 HB3 HIS 10 2HB HIS 10 -2.491 -5.932 2.856 53 HD1 HIS 10 1HD HIS 10 -0.013 -6.626 3.102 54 HD2 HIS 10 2HD HIS 10 -2.688 -9.840 2.583 55 HE1 HIS 10 1HE HIS 10 1.397 -8.737 3.051 56 H LYS 11 H LYS 11 -3.386 -4.675 5.022 57 HA LYS 11 HA LYS 11 -5.706 -3.487 3.696 58 HB3 LYS 11 2HB LYS 11 -5.227 -3.347 6.687 59 HG3 LYS 11 2HG LYS 11 -7.710 -2.280 5.369 60 HD3 LYS 11 2HD LYS 11 -6.463 -1.174 7.866 61 HE3 LYS 11 2HE LYS 11 -8.801 -0.628 6.666 62 HZ1 LYS 11 3HZ LYS 11 -10.566 -1.867 7.779 63 HZ2 LYS 11 1HZ LYS 11 -9.465 -2.767 8.585 64 HZ3 LYS 11 2HZ LYS 11 -9.591 -2.969 6.982 65 H ILE 12 H ILE 12 -5.410 -1.208 3.466 66 HA ILE 12 HA ILE 12 -2.863 0.017 4.295 67 HB ILE 12 HB ILE 12 -4.104 -0.045 1.529 68 HG13 ILE 12 2HG1 ILE 12 -2.014 -0.753 0.701 69 HG21 ILE 12 1HG2 ILE 12 -2.174 2.062 2.563 70 HG22 ILE 12 2HG2 ILE 12 -2.478 1.728 0.844 71 HG23 ILE 12 3HG2 ILE 12 -3.788 2.289 1.861 72 HD11 ILE 12 3HD1 ILE 12 -0.439 0.648 2.012 73 HD12 ILE 12 1HD1 ILE 12 -0.694 -0.432 3.405 74 HD13 ILE 12 2HD1 ILE 12 0.027 -1.037 1.892 75 H VAL 13 H VAL 13 -3.180 2.259 4.728 76 HA VAL 13 HA VAL 13 -5.943 3.349 4.644 77 HB VAL 13 HB VAL 13 -3.982 3.274 6.975 78 HG11 VAL 13 1HG1 VAL 13 -5.535 4.653 8.240 79 HG12 VAL 13 2HG1 VAL 13 -4.950 5.535 6.833 80 HG13 VAL 13 3HG1 VAL 13 -6.582 4.831 6.806 81 HG21 VAL 13 3HG2 VAL 13 -5.841 2.240 8.235 82 HG22 VAL 13 1HG2 VAL 13 -6.842 2.243 6.767 83 HG23 VAL 13 2HG2 VAL 13 -5.373 1.250 6.858 84 H ILE 14 H ILE 14 -5.908 5.485 3.895 85 HA ILE 14 HA ILE 14 -3.287 6.857 3.815 86 HB ILE 14 HB ILE 14 -5.346 6.655 1.585 87 HG13 ILE 14 2HG1 ILE 14 -3.416 4.976 1.772 88 HG21 ILE 14 1HG2 ILE 14 -3.110 8.712 1.911 89 HG22 ILE 14 2HG2 ILE 14 -3.982 8.424 0.399 90 HG23 ILE 14 3HG2 ILE 14 -4.857 9.046 1.784 91 HD11 ILE 14 3HD1 ILE 14 -2.801 4.974 -0.509 92 HD12 ILE 14 1HD1 ILE 14 -4.483 5.532 -0.442 93 HD13 ILE 14 2HD1 ILE 14 -3.159 6.687 -0.719 94 H GLN 15 H GLN 15 -3.526 9.126 4.152 95 HA GLN 15 HA GLN 15 -6.178 10.169 4.535 96 HB3 GLN 15 2HB GLN 15 -5.718 11.197 6.713 97 HG3 GLN 15 2HG GLN 15 -5.173 8.208 6.953 98 HE21 GLN 15 1HE2 GLN 15 -6.400 7.384 9.031 99 HE22 GLN 15 2HE2 GLN 15 -5.961 8.329 10.455 100 H GLN 16 H GLN 16 -6.010 12.619 4.655 101 HA GLN 16 HA GLN 16 -3.401 13.635 3.749 102 HB3 GLN 16 2HB GLN 16 -4.878 13.086 1.735 103 HG3 GLN 16 2HG GLN 16 -6.465 15.469 2.770 104 HE21 GLN 16 1HE2 GLN 16 -8.249 13.957 0.448 105 HE22 GLN 16 2HE2 GLN 16 -7.764 14.938 -0.924 106 H SER 17 H SER 17 -3.199 15.866 4.263 107 HA SER 17 HA SER 17 -5.489 17.351 5.131 108 HB3 SER 17 2HB SER 17 -2.998 17.359 6.901 109 HG SER 17 HG SER 17 -4.246 18.590 8.268 110 H GLY 18 H GLY 18 -4.701 19.737 5.268 111 HA2 GLY 18 1HA GLY 18 -3.002 21.355 4.598 112 HA3 GLY 18 2HA GLY 18 -2.536 20.261 3.290 113 H ASP 19 H ASP 19 -3.078 21.345 1.516 114 HA ASP 19 HA ASP 19 -5.639 22.797 1.219 115 HB3 ASP 19 2HB ASP 19 -3.155 22.536 -0.474 116 H THR 20 H THR 20 -6.636 20.610 1.541 117 HA THR 20 HA THR 20 -6.217 18.461 -0.246 118 HB THR 20 HB THR 20 -7.985 17.398 1.115 119 HG1 THR 20 1HG THR 20 -9.366 19.123 1.257 120 HG21 THR 20 3HG2 THR 20 -5.678 17.728 2.134 121 HG22 THR 20 1HG2 THR 20 -7.011 17.550 3.300 122 HG23 THR 20 2HG2 THR 20 -6.334 19.137 2.985 123 H ASP 21 H ASP 21 -7.068 20.701 -1.818 124 HA ASP 21 HA ASP 21 -9.512 19.629 -3.113 125 HB3 ASP 21 2HB ASP 21 -9.251 22.612 -2.614 126 H SER 22 H SER 22 -6.451 20.223 -3.446 127 HA SER 22 HA SER 22 -6.428 21.384 -6.173 128 HB3 SER 22 2HB SER 22 -4.585 22.939 -5.189 129 HG SER 22 HG SER 22 -6.747 23.869 -3.907 130 H PHE 23 H PHE 23 -5.588 18.769 -4.398 131 HA PHE 23 HA PHE 23 -3.033 18.409 -5.883 132 HB3 PHE 23 2HB PHE 23 -2.503 16.737 -4.035 133 HD1 PHE 23 1HD PHE 23 -3.473 20.017 -2.536 134 HD2 PHE 23 2HD PHE 23 -0.327 17.667 -4.287 135 HE1 PHE 23 1HE PHE 23 -1.774 21.671 -1.740 136 HE2 PHE 23 2HE PHE 23 1.333 19.267 -3.404 137 HZ PHE 23 HZ PHE 23 0.616 21.306 -2.184 138 H GLU 24 H GLU 24 -2.856 16.514 -6.984 139 HA GLU 24 HA GLU 24 -5.288 14.781 -7.209 140 HB3 GLU 24 2HB GLU 24 -4.116 14.443 -9.545 141 HG3 GLU 24 2HG GLU 24 -5.125 16.624 -10.438 142 H VAL 25 H VAL 25 -4.885 12.831 -6.310 143 HA VAL 25 HA VAL 25 -2.110 11.795 -6.320 144 HB VAL 25 HB VAL 25 -4.088 11.609 -3.998 145 HG11 VAL 25 1HG1 VAL 25 -2.479 9.765 -4.069 146 HG12 VAL 25 2HG1 VAL 25 -1.139 10.903 -4.286 147 HG13 VAL 25 3HG1 VAL 25 -2.052 10.866 -2.751 148 HG21 VAL 25 3HG2 VAL 25 -3.429 13.934 -4.171 149 HG22 VAL 25 1HG2 VAL 25 -2.671 13.165 -2.781 150 HG23 VAL 25 2HG2 VAL 25 -1.718 13.451 -4.259 151 H SER 26 H SER 26 -2.570 10.234 -8.022 152 HA SER 26 HA SER 26 -4.774 8.322 -7.437 153 HB3 SER 26 2HB SER 26 -2.963 8.151 -9.816 154 HG SER 26 HG SER 26 -4.506 6.721 -10.471 155 H VAL 27 H VAL 27 -4.359 6.331 -6.911 156 HA VAL 27 HA VAL 27 -1.554 5.360 -6.656 157 HB VAL 27 HB VAL 27 -2.141 4.121 -4.554 158 HG11 VAL 27 1HG1 VAL 27 -1.745 6.055 -3.061 159 HG12 VAL 27 2HG1 VAL 27 -0.674 6.045 -4.474 160 HG13 VAL 27 3HG1 VAL 27 -2.060 7.156 -4.413 161 HG21 VAL 27 3HG2 VAL 27 -4.395 6.156 -4.294 162 HG22 VAL 27 1HG2 VAL 27 -4.621 4.412 -4.574 163 HG23 VAL 27 2HG2 VAL 27 -3.882 4.975 -3.077 164 H SER 28 H SER 28 -1.215 3.436 -7.470 165 HA SER 28 HA SER 28 -3.285 1.699 -8.594 166 HB3 SER 28 2HB SER 28 -0.284 1.849 -8.443 167 HG SER 28 HG SER 28 -1.566 -0.575 -9.203 168 H ILE 29 H ILE 29 -4.089 -0.043 -7.549 169 HA ILE 29 HA ILE 29 -3.059 -0.696 -4.843 170 HB ILE 29 HB ILE 29 -5.917 -0.304 -5.788 171 HG13 ILE 29 2HG1 ILE 29 -4.501 1.726 -4.945 172 HG21 ILE 29 1HG2 ILE 29 -5.617 -2.377 -4.368 173 HG22 ILE 29 2HG2 ILE 29 -5.047 -1.356 -3.058 174 HG23 ILE 29 3HG2 ILE 29 -6.705 -1.184 -3.665 175 HD11 ILE 29 3HD1 ILE 29 -6.902 1.844 -5.032 176 HD12 ILE 29 1HD1 ILE 29 -7.031 1.024 -3.459 177 HD13 ILE 29 2HD1 ILE 29 -6.279 2.625 -3.560 178 H GLY 30 H GLY 30 -2.412 -2.773 -4.855 179 HA2 GLY 30 1HA GLY 30 -3.813 -4.787 -6.427 180 HA3 GLY 30 2HA GLY 30 -2.186 -4.379 -7.002 181 H GLY 31 H GLY 31 -2.796 -6.856 -6.184 182 HA2 GLY 31 1HA GLY 31 -0.583 -7.440 -4.538 183 HA3 GLY 31 2HA GLY 31 -2.069 -7.705 -3.603 184 H ALA 32 H ALA 32 -0.566 -9.940 -4.122 185 HA ALA 32 HA ALA 32 -2.226 -11.407 -6.107 186 HB1 ALA 32 1HB ALA 32 -0.399 -12.643 -6.865 187 HB2 ALA 32 2HB ALA 32 0.216 -10.989 -6.858 188 HB3 ALA 32 3HB ALA 32 0.642 -12.147 -5.548 189 H ASP 33 H ASP 33 -2.233 -13.755 -5.648 190 HA ASP 33 HA ASP 33 -2.288 -14.321 -2.753 191 HB3 ASP 33 2HB ASP 33 -4.506 -13.564 -3.796 192 H LYS 34 H LYS 34 -3.494 -16.917 -3.147 193 HA LYS 34 HA LYS 34 -1.108 -18.345 -4.121 194 HB3 LYS 34 2HB LYS 34 -3.518 -19.703 -2.862 195 HG3 LYS 34 2HG LYS 34 -0.518 -20.240 -2.873 196 HD3 LYS 34 2HD LYS 34 -2.717 -22.316 -2.620 197 HE3 LYS 34 2HE LYS 34 0.163 -22.238 -1.614 198 HZ1 LYS 34 3HZ LYS 34 -1.281 -24.645 -2.483 199 HZ2 LYS 34 1HZ LYS 34 -1.497 -24.074 -0.955 200 HZ3 LYS 34 2HZ LYS 34 -0.002 -24.478 -1.445 201 H GLY 35 H GLY 35 -1.701 -17.322 -6.204 202 HA2 GLY 35 1HA GLY 35 -1.723 -19.230 -8.028 203 HA3 GLY 35 2HA GLY 35 -3.469 -19.141 -7.766 204 H GLY 36 H GLY 36 -3.268 -16.130 -7.348 205 HA2 GLY 36 1HA GLY 36 -2.814 -15.134 -10.087 206 HA3 GLY 36 2HA GLY 36 -4.482 -15.423 -9.560 207 HA PRO 37 HA PRO 37 -3.382 -11.189 -7.982 208 HB3 PRO 37 2HB PRO 37 -4.320 -10.274 -9.923 209 HG3 PRO 37 2HG PRO 37 -6.225 -11.283 -10.974 210 HD3 PRO 37 2HD PRO 37 -4.627 -12.988 -10.958 211 H ALA 38 H ALA 38 -4.290 -10.105 -6.160 212 HA ALA 38 HA ALA 38 -6.045 -11.719 -4.408 213 HB1 ALA 38 1HB ALA 38 -5.371 -10.051 -2.713 214 HB2 ALA 38 2HB ALA 38 -3.971 -10.863 -3.437 215 HB3 ALA 38 3HB ALA 38 -4.403 -9.202 -3.928 216 H LYS 39 H LYS 39 -8.203 -11.349 -4.784 217 HA LYS 39 HA LYS 39 -9.593 -9.184 -5.882 218 HB3 LYS 39 2HB LYS 39 -11.421 -10.075 -4.322 219 HG3 LYS 39 2HG LYS 39 -9.854 -11.927 -6.155 220 HD3 LYS 39 2HD LYS 39 -12.107 -13.237 -5.875 221 HE3 LYS 39 2HE LYS 39 -9.999 -13.440 -3.663 222 HZ1 LYS 39 3HZ LYS 39 -11.313 -15.690 -5.019 223 HZ2 LYS 39 1HZ LYS 39 -11.904 -15.060 -3.593 224 HZ3 LYS 39 2HZ LYS 39 -10.412 -15.721 -3.663 225 H LEU 40 H LEU 40 -9.584 -6.917 -5.256 226 HA LEU 40 HA LEU 40 -9.015 -6.336 -2.449 227 HB3 LEU 40 2HB LEU 40 -9.020 -4.049 -3.276 228 HG LEU 40 HG LEU 40 -7.097 -3.835 -4.351 229 HD11 LEU 40 1HD1 LEU 40 -6.783 -5.177 -2.279 230 HD12 LEU 40 2HD1 LEU 40 -5.474 -5.372 -3.455 231 HD13 LEU 40 3HD1 LEU 40 -6.698 -6.642 -3.286 232 HD21 LEU 40 3HD2 LEU 40 -7.364 -6.409 -5.802 233 HD22 LEU 40 1HD2 LEU 40 -6.031 -5.262 -5.945 234 HD23 LEU 40 2HD2 LEU 40 -7.660 -4.785 -6.447 235 H TYR 41 H TYR 41 -10.375 -4.777 -1.398 236 HA TYR 41 HA TYR 41 -13.240 -4.809 -2.170 237 HB3 TYR 41 2HB TYR 41 -13.620 -4.914 0.355 238 HD1 TYR 41 1HD TYR 41 -11.128 -7.435 -0.950 239 HD2 TYR 41 2HD TYR 41 -15.242 -6.662 0.071 240 HE1 TYR 41 1HE TYR 41 -11.722 -9.655 -1.733 241 HE2 TYR 41 2HE TYR 41 -15.826 -8.971 -0.574 242 HH TYR 41 HH TYR 41 -15.007 -11.025 -1.370 243 H ASN 42 H ASN 42 -14.373 -2.974 -1.360 244 HA ASN 42 HA ASN 42 -12.597 -0.627 -0.865 245 HB3 ASN 42 2HB ASN 42 -14.231 -0.472 -2.818 246 HD21 ASN 42 1HD2 ASN 42 -16.141 -2.226 -2.326 247 HD22 ASN 42 2HD2 ASN 42 -17.615 -1.345 -1.947 248 H ASP 43 H ASP 43 -13.697 1.024 0.493 249 HA ASP 43 HA ASP 43 -13.762 0.094 3.150 250 HB3 ASP 43 2HB ASP 43 -14.703 2.739 2.115 251 H LYS 44 H LYS 44 -16.364 0.033 0.979 252 HA LYS 44 HA LYS 44 -18.524 0.184 3.002 253 HB3 LYS 44 2HB LYS 44 -19.965 -0.344 1.002 254 HG3 LYS 44 2HG LYS 44 -19.162 1.806 -0.316 255 HD3 LYS 44 2HD LYS 44 -19.849 2.755 2.401 256 HE3 LYS 44 2HE LYS 44 -21.092 2.761 -0.359 257 HZ1 LYS 44 3HZ LYS 44 -22.901 2.383 1.136 258 HZ2 LYS 44 1HZ LYS 44 -22.978 3.913 0.551 259 HZ3 LYS 44 2HZ LYS 44 -22.464 3.657 2.097 260 H GLY 45 H GLY 45 -16.253 -2.053 1.868 261 HA2 GLY 45 1HA GLY 45 -15.895 -4.097 2.626 262 HA3 GLY 45 2HA GLY 45 -17.559 -4.248 3.225 263 H GLU 46 H GLU 46 -17.098 -3.302 -0.117 264 HA GLU 46 HA GLU 46 -18.100 -5.989 -0.975 265 HB3 GLU 46 2HB GLU 46 -18.828 -4.635 -3.084 266 HG3 GLU 46 2HG GLU 46 -20.850 -3.636 -1.782 267 H TYR 47 H TYR 47 -17.240 -6.870 -2.777 268 HA TYR 47 HA TYR 47 -14.404 -6.432 -3.329 269 HB3 TYR 47 2HB TYR 47 -16.563 -8.250 -4.411 270 HD1 TYR 47 1HD TYR 47 -12.841 -8.515 -4.709 271 HD2 TYR 47 2HD TYR 47 -16.584 -8.080 -6.770 272 HE1 TYR 47 1HE TYR 47 -11.724 -9.070 -6.866 273 HE2 TYR 47 2HE TYR 47 -15.512 -8.721 -8.897 274 HH TYR 47 HH TYR 47 -12.223 -10.014 -9.084 275 H ILE 48 H ILE 48 -13.565 -5.308 -5.012 276 HA ILE 48 HA ILE 48 -15.377 -4.136 -7.062 277 HB ILE 48 HB ILE 48 -14.319 -1.930 -6.787 278 HG13 ILE 48 2HG1 ILE 48 -12.406 -2.941 -5.226 279 HG21 ILE 48 1HG2 ILE 48 -15.783 -1.198 -4.960 280 HG22 ILE 48 2HG2 ILE 48 -16.581 -2.442 -5.924 281 HG23 ILE 48 3HG2 ILE 48 -15.899 -2.859 -4.349 282 HD11 ILE 48 3HD1 ILE 48 -12.343 -0.669 -6.029 283 HD12 ILE 48 1HD1 ILE 48 -13.714 -0.197 -5.016 284 HD13 ILE 48 2HD1 ILE 48 -12.174 -0.589 -4.262 285 H GLY 49 H GLY 49 -13.376 -6.282 -7.090 286 HA2 GLY 49 1HA GLY 49 -12.322 -6.832 -9.200 287 HA3 GLY 49 2HA GLY 49 -11.681 -5.191 -9.300 288 H ASP 50 H ASP 50 -10.131 -7.475 -9.500 289 HA ASP 50 HA ASP 50 -8.573 -7.736 -7.008 290 HB3 ASP 50 2HB ASP 50 -9.264 -9.750 -8.183 291 H SER 51 H SER 51 -8.577 -5.520 -9.440 292 HA SER 51 HA SER 51 -6.159 -4.431 -8.489 293 HB3 SER 51 2HB SER 51 -6.217 -5.384 -11.391 294 HG SER 51 HG SER 51 -3.943 -4.316 -10.207 295 H TYR 52 H TYR 52 -5.936 -2.336 -9.259 296 HA TYR 52 HA TYR 52 -7.279 -0.962 -11.253 297 HB3 TYR 52 2HB TYR 52 -9.421 -1.208 -10.298 298 HD1 TYR 52 1HD TYR 52 -7.995 0.724 -7.425 299 HD2 TYR 52 2HD TYR 52 -10.104 -2.839 -8.664 300 HE1 TYR 52 1HE TYR 52 -8.586 0.253 -5.095 301 HE2 TYR 52 2HE TYR 52 -10.551 -3.418 -6.352 302 HH TYR 52 HH TYR 52 -10.293 -2.718 -4.113 303 H SER 53 H SER 53 -7.494 1.538 -10.406 304 HA SER 53 HA SER 53 -5.542 2.143 -8.306 305 HB3 SER 53 2HB SER 53 -5.102 4.331 -9.442 306 HG SER 53 HG SER 53 -4.462 1.999 -10.958 307 H ALA 54 H ALA 54 -6.281 3.913 -6.976 308 HA ALA 54 HA ALA 54 -9.035 4.853 -7.421 309 HB1 ALA 54 1HB ALA 54 -9.748 4.403 -5.151 310 HB2 ALA 54 2HB ALA 54 -9.277 2.869 -5.917 311 HB3 ALA 54 3HB ALA 54 -8.201 3.672 -4.742 312 H GLN 55 H GLN 55 -8.732 6.974 -7.503 313 HA GLN 55 HA GLN 55 -6.401 8.263 -6.353 314 HB3 GLN 55 2HB GLN 55 -8.900 9.282 -7.782 315 HG3 GLN 55 2HG GLN 55 -6.223 10.680 -7.503 316 HE21 GLN 55 1HE2 GLN 55 -8.200 13.162 -7.975 317 HE22 GLN 55 2HE2 GLN 55 -8.064 13.239 -9.685 318 H ILE 56 H ILE 56 -6.245 9.721 -4.745 319 HA ILE 56 HA ILE 56 -8.300 9.599 -2.630 320 HB ILE 56 HB ILE 56 -5.843 11.374 -2.599 321 HG13 ILE 56 2HG1 ILE 56 -4.482 9.633 -1.657 322 HG21 ILE 56 1HG2 ILE 56 -7.454 10.010 -0.372 323 HG22 ILE 56 2HG2 ILE 56 -5.958 10.915 -0.134 324 HG23 ILE 56 3HG2 ILE 56 -7.383 11.741 -0.767 325 HD11 ILE 56 3HD1 ILE 56 -6.855 7.766 -2.137 326 HD12 ILE 56 1HD1 ILE 56 -5.200 7.235 -1.807 327 HD13 ILE 56 2HD1 ILE 56 -6.107 8.129 -0.570 328 H ARG 57 H ARG 57 -10.058 10.924 -2.782 329 HA ARG 57 HA ARG 57 -9.599 13.787 -3.348 330 HB3 ARG 57 2HB ARG 57 -11.568 14.055 -4.577 331 HG3 ARG 57 2HG ARG 57 -9.608 13.067 -5.954 332 HD3 ARG 57 2HD ARG 57 -10.235 10.667 -5.362 333 HE ARG 57 HE ARG 57 -12.727 11.394 -6.599 334 HH11 ARG 57 1HH1 ARG 57 -10.623 8.654 -5.852 335 HH12 ARG 57 2HH1 ARG 57 -11.730 7.434 -6.365 336 HH21 ARG 57 1HH2 ARG 57 -14.310 9.767 -7.174 337 HH22 ARG 57 2HH2 ARG 57 -13.859 8.110 -7.153 338 H THR 58 H THR 58 -9.764 12.070 -0.967 339 HA THR 58 HA THR 58 -12.154 13.224 0.340 340 HB THR 58 HB THR 58 -12.209 10.977 1.607 341 HG1 THR 58 1HG THR 58 -10.805 9.591 1.069 342 HG21 THR 58 3HG2 THR 58 -13.569 9.878 -0.066 343 HG22 THR 58 1HG2 THR 58 -12.886 10.883 -1.353 344 HG23 THR 58 2HG2 THR 58 -13.891 11.619 -0.081 345 H ALA 59 H ALA 59 -11.871 13.449 2.679 346 HA ALA 59 HA ALA 59 -9.329 14.365 3.536 347 HB1 ALA 59 1HB ALA 59 -10.382 14.438 5.734 348 HB2 ALA 59 2HB ALA 59 -11.542 14.993 4.527 349 HB3 ALA 59 3HB ALA 59 -11.684 13.353 5.207 350 H THR 60 H THR 60 -10.916 11.116 3.904 351 HA THR 60 HA THR 60 -8.240 10.011 4.536 352 HB THR 60 HB THR 60 -9.314 8.523 6.157 353 HG1 THR 60 1HG THR 60 -11.328 8.874 6.857 354 HG21 THR 60 3HG2 THR 60 -9.501 10.080 7.982 355 HG22 THR 60 1HG2 THR 60 -9.861 11.428 6.896 356 HG23 THR 60 2HG2 THR 60 -8.245 10.701 6.888 357 H MET 61 H MET 61 -8.021 7.737 4.028 358 HA MET 61 HA MET 61 -10.185 6.436 2.541 359 HB3 MET 61 2HB MET 61 -7.837 5.564 1.254 360 HG3 MET 61 2HG MET 61 -8.594 6.967 -0.600 361 HE1 MET 61 3HE MET 61 -8.615 4.157 -0.134 362 HE2 MET 61 1HE MET 61 -10.016 3.458 -0.982 363 HE3 MET 61 2HE MET 61 -9.052 4.725 -1.759 364 H SER 62 H SER 62 -9.589 4.170 2.150 365 HA SER 62 HA SER 62 -7.548 2.856 3.531 366 HB3 SER 62 2HB SER 62 -8.830 2.997 5.537 367 HG SER 62 HG SER 62 -11.045 1.690 5.075 368 H CYS 63 H CYS 63 -7.409 0.643 2.874 369 HA CYS 63 HA CYS 63 -9.312 -0.375 0.853 370 HB3 CYS 63 2HB CYS 63 -7.198 -0.954 -0.547 371 HG CYS 63 HG CYS 63 -9.001 0.585 -1.442 372 H CYS 64 H CYS 64 -9.206 -2.679 0.771 373 HA CYS 64 HA CYS 64 -7.064 -4.077 2.189 374 HB3 CYS 64 2HB CYS 64 -8.516 -3.826 4.071 375 HG CYS 64 HG CYS 64 -11.113 -4.831 4.051 376 H THR 65 H THR 65 -7.706 -6.514 2.116 377 HA THR 65 HA THR 65 -9.026 -7.245 -0.416 378 HB THR 65 HB THR 65 -6.665 -7.498 -0.873 379 HG1 THR 65 1HG THR 65 -7.967 -9.077 -1.607 380 HG21 THR 65 3HG2 THR 65 -5.639 -7.384 1.210 381 HG22 THR 65 1HG2 THR 65 -5.194 -8.925 0.507 382 HG23 THR 65 2HG2 THR 65 -6.424 -8.886 1.791 383 H ASN 66 H ASN 66 -9.139 -9.894 0.100 384 HA ASN 66 HA ASN 66 -10.405 -10.262 2.781 385 HB3 ASN 66 2HB ASN 66 -11.957 -10.954 0.883 386 HD21 ASN 66 1HD2 ASN 66 -10.889 -11.061 -1.226 387 HD22 ASN 66 2HD2 ASN 66 -9.836 -12.368 -1.670 388 H GLY 67 H GLY 67 -9.809 -12.881 3.261 389 HA2 GLY 67 1HA GLY 67 -6.890 -12.958 3.372 390 HA3 GLY 67 2HA GLY 67 -7.988 -14.149 4.029 391 H ASN 68 H ASN 68 -7.049 -12.799 0.865 392 HA ASN 68 HA ASN 68 -6.160 -15.415 -0.147 393 HB3 ASN 68 2HB ASN 68 -7.215 -14.551 -2.453 394 HD21 ASN 68 1HD2 ASN 68 -8.420 -16.237 0.492 395 HD22 ASN 68 2HD2 ASN 68 -9.293 -17.433 -0.446 396 H ALA 69 H ALA 69 -4.272 -14.016 0.653 397 HA ALA 69 HA ALA 69 -3.142 -12.590 -1.614 398 HB1 ALA 69 1HB ALA 69 -2.771 -10.444 -0.347 399 HB2 ALA 69 2HB ALA 69 -4.489 -10.743 -0.618 400 HB3 ALA 69 3HB ALA 69 -3.783 -11.079 0.970 401 H PHE 70 H PHE 70 -0.922 -12.011 -1.280 402 HA PHE 70 HA PHE 70 0.435 -12.942 1.221 403 HB3 PHE 70 2HB PHE 70 2.348 -13.598 -0.248 404 HD1 PHE 70 2HD PHE 70 1.705 -15.239 1.587 405 HD2 PHE 70 1HD PHE 70 0.093 -15.241 -2.404 406 HE1 PHE 70 2HE PHE 70 1.225 -17.672 1.798 407 HE2 PHE 70 1HE PHE 70 -0.253 -17.711 -2.237 408 HZ PHE 70 HZ PHE 70 0.260 -18.912 -0.127 409 H PHE 71 H PHE 71 -0.188 -10.354 -0.911 410 HA PHE 71 HA PHE 71 1.366 -8.725 0.739 411 HB3 PHE 71 2HB PHE 71 3.175 -9.293 -0.880 412 HD1 PHE 71 2HD PHE 71 2.263 -10.670 -2.809 413 HD2 PHE 71 1HD PHE 71 2.206 -6.348 -2.735 414 HE1 PHE 71 2HE PHE 71 2.096 -10.604 -5.264 415 HE2 PHE 71 1HE PHE 71 1.981 -6.305 -5.200 416 HZ PHE 71 HZ PHE 71 1.925 -8.438 -6.481 417 H MET 72 H MET 72 0.941 -6.412 0.050 418 HA MET 72 HA MET 72 -1.144 -5.925 -1.909 419 HB3 MET 72 2HB MET 72 -1.358 -4.881 0.953 420 HG3 MET 72 2HG MET 72 -3.509 -5.085 -1.178 421 HE1 MET 72 3HE MET 72 -4.950 -2.731 -0.958 422 HE2 MET 72 1HE MET 72 -5.950 -4.159 -0.572 423 HE3 MET 72 2HE MET 72 -6.030 -2.702 0.443 424 H THR 73 H THR 73 -0.747 -3.750 -2.744 425 HA THR 73 HA THR 73 1.275 -2.171 -1.295 426 HB THR 73 HB THR 73 2.451 -3.508 -3.016 427 HG1 THR 73 1HG THR 73 3.658 -1.767 -3.643 428 HG21 THR 73 3HG2 THR 73 2.202 -2.986 -5.384 429 HG22 THR 73 1HG2 THR 73 0.902 -1.832 -5.048 430 HG23 THR 73 2HG2 THR 73 0.659 -3.569 -4.763 431 H CYS 74 H CYS 74 1.411 -0.002 -2.128 432 HA CYS 74 HA CYS 74 -0.865 1.141 -3.527 433 HB3 CYS 74 2HB CYS 74 -0.194 2.667 -1.058 434 HG CYS 74 HG CYS 74 -2.045 3.382 -2.888 435 H ALA 75 H ALA 75 0.377 2.054 -5.125 436 HA ALA 75 HA ALA 75 2.599 3.840 -4.365 437 HB1 ALA 75 1HB ALA 75 3.981 2.906 -6.211 438 HB2 ALA 75 2HB ALA 75 3.694 1.693 -4.945 439 HB3 ALA 75 3HB ALA 75 2.775 1.623 -6.463 440 H GLY 76 H GLY 76 2.584 5.710 -5.787 441 HA2 GLY 76 1HA GLY 76 0.402 5.745 -7.816 442 HA3 GLY 76 2HA GLY 76 0.328 6.705 -6.315 443 H SER 77 H SER 77 0.237 8.598 -7.600 444 HA SER 77 HA SER 77 2.790 9.599 -7.080 445 HB3 SER 77 2HB SER 77 3.530 10.621 -8.917 446 HG SER 77 HG SER 77 3.014 8.315 -9.489 447 H VAL 78 H VAL 78 2.647 12.092 -7.094 448 HA VAL 78 HA VAL 78 -0.102 13.085 -6.639 449 HB VAL 78 HB VAL 78 0.564 12.522 -4.487 450 HG11 VAL 78 1HG1 VAL 78 2.771 13.194 -3.471 451 HG12 VAL 78 2HG1 VAL 78 2.883 11.956 -4.728 452 HG13 VAL 78 3HG1 VAL 78 3.294 13.638 -5.120 453 HG21 VAL 78 3HG2 VAL 78 -0.224 14.928 -4.633 454 HG22 VAL 78 1HG2 VAL 78 0.835 14.581 -3.240 455 HG23 VAL 78 2HG2 VAL 78 1.465 15.424 -4.671 456 H SER 79 H SER 79 -0.408 15.257 -7.235 457 HA SER 79 HA SER 79 2.003 16.963 -7.645 458 HB3 SER 79 2HB SER 79 1.200 17.726 -9.882 459 HG SER 79 HG SER 79 2.090 15.199 -9.335 460 H SER 80 H SER 80 1.438 19.261 -8.112 461 HA SER 80 HA SER 80 -1.284 20.094 -7.931 462 HB3 SER 80 2HB SER 80 0.749 21.355 -6.026 463 HG SER 80 HG SER 80 -1.377 22.478 -5.455 464 H ILE 81 H ILE 81 -1.485 22.088 -9.029 465 HA ILE 81 HA ILE 81 0.899 23.258 -10.321 466 HB ILE 81 HB ILE 81 -0.480 23.449 -12.384 467 HG13 ILE 81 2HG1 ILE 81 -2.455 22.419 -12.788 468 HG21 ILE 81 1HG2 ILE 81 0.249 20.616 -11.550 469 HG22 ILE 81 2HG2 ILE 81 0.061 21.213 -13.205 470 HG23 ILE 81 3HG2 ILE 81 1.331 21.855 -12.182 471 HD11 ILE 81 3HD1 ILE 81 -3.572 20.677 -11.480 472 HD12 ILE 81 1HD1 ILE 81 -2.081 20.125 -12.260 473 HD13 ILE 81 2HD1 ILE 81 -2.102 20.476 -10.519 474 H SER 82 H SER 82 -0.037 24.173 -8.004 475 HA SER 82 HA SER 82 -1.657 26.536 -8.714 476 HB3 SER 82 2HB SER 82 -2.671 26.346 -6.465 477 HG SER 82 HG SER 82 -4.099 24.896 -7.060 478 H GLU 83 H GLU 83 -1.615 28.136 -6.920 479 HA GLU 83 HA GLU 83 0.791 29.490 -6.820 480 HB3 GLU 83 2HB GLU 83 -0.246 31.001 -5.348 481 HG3 GLU 83 2HG GLU 83 -2.613 29.579 -6.655 482 H ALA 84 H ALA 84 2.188 30.002 -5.054 483 HA ALA 84 HA ALA 84 3.188 27.946 -3.431 484 HB1 ALA 84 1HB ALA 84 4.468 29.826 -2.368 485 HB2 ALA 84 2HB ALA 84 4.427 30.017 -4.134 486 HB3 ALA 84 3HB ALA 84 3.363 30.988 -3.104 487 H GLY 85 H GLY 85 3.424 28.087 -1.030 488 HA2 GLY 85 1HA GLY 85 2.759 28.417 1.113 489 HA3 GLY 85 2HA GLY 85 1.481 29.495 0.557 490 H LYS 86 H LYS 86 0.721 26.876 -1.213 491 HA LYS 86 HA LYS 86 -1.266 25.766 0.599 492 HB3 LYS 86 2HB LYS 86 -1.772 24.286 -1.263 493 HG3 LYS 86 2HG LYS 86 -2.351 25.802 -3.037 494 HD3 LYS 86 2HD LYS 86 -2.344 27.592 -0.570 495 HE3 LYS 86 2HE LYS 86 -4.312 28.560 -1.400 496 HZ1 LYS 86 3HZ LYS 86 -2.157 28.694 -3.002 497 HZ2 LYS 86 1HZ LYS 86 -3.544 29.533 -3.321 498 HZ3 LYS 86 2HZ LYS 86 -3.307 28.123 -4.049 499 H ARG 87 H ARG 87 -1.044 23.885 1.804 500 HA ARG 87 HA ARG 87 1.700 22.672 1.861 501 HB3 ARG 87 2HB ARG 87 1.364 22.287 4.208 502 HG3 ARG 87 2HG ARG 87 0.326 25.103 3.702 503 HD3 ARG 87 2HD ARG 87 1.803 24.108 6.152 504 HE ARG 87 HE ARG 87 1.624 26.401 6.458 505 HH11 ARG 87 1HH1 ARG 87 -1.595 25.157 5.560 506 HH12 ARG 87 2HH1 ARG 87 -2.366 26.685 5.744 507 HH21 ARG 87 1HH2 ARG 87 0.657 28.284 6.756 508 HH22 ARG 87 2HH2 ARG 87 -1.053 28.582 6.558 509 H LEU 88 H LEU 88 1.730 20.349 2.332 510 HA LEU 88 HA LEU 88 -0.821 18.946 2.114 511 HB3 LEU 88 2HB LEU 88 1.504 18.027 0.414 512 HG LEU 88 HG LEU 88 -0.403 17.773 -1.298 513 HD11 LEU 88 1HD1 LEU 88 -1.163 15.600 -0.302 514 HD12 LEU 88 2HD1 LEU 88 -0.125 15.995 1.088 515 HD13 LEU 88 3HD1 LEU 88 0.576 15.839 -0.521 516 HD21 LEU 88 3HD2 LEU 88 -2.667 17.567 -0.642 517 HD22 LEU 88 1HD2 LEU 88 -2.106 19.143 -0.064 518 HD23 LEU 88 2HD2 LEU 88 -2.293 17.790 1.062 519 H HIS 89 H HIS 89 -0.724 16.997 3.246 520 HA HIS 89 HA HIS 89 1.826 15.991 4.286 521 HB3 HIS 89 2HB HIS 89 -0.471 16.716 6.153 522 HD1 HIS 89 1HD HIS 89 2.525 17.365 7.934 523 HD2 HIS 89 2HD HIS 89 0.484 13.838 6.754 524 HE1 HIS 89 1HE HIS 89 3.363 15.503 9.443 525 H ILE 90 H ILE 90 1.524 14.070 3.141 526 HA ILE 90 HA ILE 90 -1.098 12.675 3.119 527 HB ILE 90 HB ILE 90 1.640 12.049 1.980 528 HG13 ILE 90 2HG1 ILE 90 0.685 12.293 -0.232 529 HG21 ILE 90 1HG2 ILE 90 -0.851 10.322 1.819 530 HG22 ILE 90 2HG2 ILE 90 0.589 10.132 0.771 531 HG23 ILE 90 3HG2 ILE 90 0.729 9.908 2.512 532 HD11 ILE 90 3HD1 ILE 90 -1.508 13.278 -0.637 533 HD12 ILE 90 1HD1 ILE 90 -1.703 11.704 0.138 534 HD13 ILE 90 2HD1 ILE 90 -1.912 13.199 1.085 535 H THR 91 H THR 91 -1.455 10.872 4.408 536 HA THR 91 HA THR 91 0.805 9.858 6.057 537 HB THR 91 HB THR 91 -2.124 10.144 6.785 538 HG1 THR 91 1HG THR 91 -1.277 11.463 8.409 539 HG21 THR 91 3HG2 THR 91 0.130 8.853 8.393 540 HG22 THR 91 1HG2 THR 91 -1.247 8.002 7.667 541 HG23 THR 91 2HG2 THR 91 -1.515 9.150 8.970 542 H VAL 92 H VAL 92 1.164 7.674 5.786 543 HA VAL 92 HA VAL 92 -0.778 6.044 4.287 544 HB VAL 92 HB VAL 92 1.514 5.137 3.260 545 HG11 VAL 92 1HG1 VAL 92 0.983 6.493 1.161 546 HG12 VAL 92 2HG1 VAL 92 -0.372 5.629 1.886 547 HG13 VAL 92 3HG1 VAL 92 -0.205 7.390 2.137 548 HG21 VAL 92 3HG2 VAL 92 3.003 6.807 2.410 549 HG22 VAL 92 1HG2 VAL 92 2.077 8.117 3.183 550 HG23 VAL 92 2HG2 VAL 92 2.928 6.934 4.181 551 H ILE 93 H ILE 93 -1.232 4.333 5.449 552 HA ILE 93 HA ILE 93 0.821 3.200 7.277 553 HB ILE 93 HB ILE 93 -2.105 3.253 7.990 554 HG13 ILE 93 2HG1 ILE 93 -1.629 5.629 7.631 555 HG21 ILE 93 1HG2 ILE 93 -0.542 1.777 9.262 556 HG22 ILE 93 2HG2 ILE 93 0.416 3.201 9.696 557 HG23 ILE 93 3HG2 ILE 93 -1.234 3.014 10.292 558 HD11 ILE 93 3HD1 ILE 93 -1.652 5.197 10.625 559 HD12 ILE 93 1HD1 ILE 93 -2.252 6.576 9.701 560 HD13 ILE 93 2HD1 ILE 93 -3.082 5.014 9.574 561 H GLY 94 H GLY 94 0.494 0.854 7.608 562 HA2 GLY 94 1HA GLY 94 -1.417 -0.465 5.801 563 HA3 GLY 94 2HA GLY 94 0.301 -0.778 5.503 564 H TYR 95 H TYR 95 -1.636 -2.727 6.231 565 HA TYR 95 HA TYR 95 -0.646 -3.609 8.865 566 HB3 TYR 95 2HB TYR 95 -3.015 -4.221 9.412 567 HD1 TYR 95 1HD TYR 95 -3.451 -0.891 7.742 568 HD2 TYR 95 2HD TYR 95 -2.448 -2.977 11.384 569 HE1 TYR 95 1HE TYR 95 -3.472 1.252 8.997 570 HE2 TYR 95 2HE TYR 95 -2.433 -0.862 12.619 571 HH TYR 95 HH TYR 95 -2.353 1.474 12.355 572 H ILE 96 H ILE 96 -0.792 -5.833 9.206 573 HA ILE 96 HA ILE 96 -1.785 -7.561 7.012 574 HB ILE 96 HB ILE 96 0.789 -7.795 8.610 575 HG13 ILE 96 2HG1 ILE 96 0.948 -6.678 6.453 576 HG21 ILE 96 1HG2 ILE 96 -0.507 -10.002 8.769 577 HG22 ILE 96 2HG2 ILE 96 -0.378 -10.067 6.984 578 HG23 ILE 96 3HG2 ILE 96 1.064 -10.096 8.002 579 HD11 ILE 96 3HD1 ILE 96 1.831 -9.515 5.812 580 HD12 ILE 96 1HD1 ILE 96 2.488 -7.997 5.206 581 HD13 ILE 96 2HD1 ILE 96 2.748 -8.452 6.901 582 H ASP 97 H ASP 97 -3.535 -8.499 7.725 583 HA ASP 97 HA ASP 97 -5.012 -9.648 8.828 584 HB3 ASP 97 2HB ASP 97 -3.104 -10.040 11.169 585 H ASP 98 H ASP 98 -3.522 -8.319 11.718 586 HA ASP 98 HA ASP 98 -5.621 -6.282 12.109 587 HB3 ASP 98 2HB ASP 98 -5.084 -8.474 14.147 588 H LYS 99 H LYS 99 -2.662 -6.470 11.508 589 HA LYS 99 HA LYS 99 -1.557 -5.244 13.974 590 HB3 LYS 99 2HB LYS 99 0.109 -7.000 12.216 591 HG3 LYS 99 2HG LYS 99 -0.076 -6.808 15.230 592 HD3 LYS 99 2HD LYS 99 1.897 -7.900 13.344 593 HE3 LYS 99 2HE LYS 99 2.793 -5.573 13.828 594 HZ1 LYS 99 3HZ LYS 99 2.110 -5.456 16.162 595 HZ2 LYS 99 1HZ LYS 99 3.708 -5.203 15.980 596 HZ3 LYS 99 2HZ LYS 99 3.166 -6.660 16.558 597 H GLU 100 H GLU 100 -0.304 -3.462 13.656 598 HA GLU 100 HA GLU 100 -0.051 -2.243 11.050 599 HB3 GLU 100 2HB GLU 100 1.116 -1.731 13.825 600 HG3 GLU 100 2HG GLU 100 1.631 0.619 12.631 601 H VAL 101 H VAL 101 1.402 -2.420 9.535 602 HA VAL 101 HA VAL 101 3.861 -3.951 10.095 603 HB VAL 101 HB VAL 101 1.711 -4.843 8.772 604 HG11 VAL 101 1HG1 VAL 101 1.613 -4.553 6.453 605 HG12 VAL 101 2HG1 VAL 101 1.661 -2.930 7.136 606 HG13 VAL 101 3HG1 VAL 101 3.118 -3.618 6.411 607 HG21 VAL 101 3HG2 VAL 101 4.527 -5.269 7.899 608 HG22 VAL 101 1HG2 VAL 101 3.568 -6.077 9.176 609 HG23 VAL 101 2HG2 VAL 101 3.106 -6.283 7.482 610 H ASN 102 H ASN 102 2.375 -0.984 8.878 611 HA ASN 102 HA ASN 102 4.898 -0.004 7.721 612 HB3 ASN 102 2HB ASN 102 2.798 0.797 5.940 613 HD21 ASN 102 1HD2 ASN 102 3.037 -0.889 3.787 614 HD22 ASN 102 2HD2 ASN 102 4.730 -1.128 3.387 615 H ARG 103 H ARG 103 4.965 2.215 7.826 616 HA ARG 103 HA ARG 103 2.754 3.944 8.185 617 HB3 ARG 103 2HB ARG 103 2.469 3.377 10.454 618 HG3 ARG 103 2HG ARG 103 5.457 2.905 10.653 619 HD3 ARG 103 2HD ARG 103 5.038 4.175 12.621 620 HE ARG 103 HE ARG 103 2.394 3.449 12.483 621 HH11 ARG 103 1HH1 ARG 103 4.839 3.095 15.052 622 HH12 ARG 103 2HH1 ARG 103 3.744 3.540 16.319 623 HH21 ARG 103 1HH2 ARG 103 0.899 3.979 14.236 624 HH22 ARG 103 2HH2 ARG 103 1.494 3.837 15.853 625 H LEU 104 H LEU 104 3.418 5.448 6.902 626 HA LEU 104 HA LEU 104 5.600 6.988 8.009 627 HB3 LEU 104 2HB LEU 104 6.712 5.579 6.387 628 HG LEU 104 HG LEU 104 4.651 5.667 4.701 629 HD11 LEU 104 1HD1 LEU 104 6.605 7.817 3.679 630 HD12 LEU 104 2HD1 LEU 104 4.912 8.102 4.095 631 HD13 LEU 104 3HD1 LEU 104 5.319 7.099 2.694 632 HD21 LEU 104 3HD2 LEU 104 6.146 4.872 2.912 633 HD22 LEU 104 1HD2 LEU 104 6.608 4.186 4.471 634 HD23 LEU 104 2HD2 LEU 104 7.555 5.521 3.776 635 H GLU 105 H GLU 105 5.670 9.165 6.781 636 HA GLU 105 HA GLU 105 3.031 9.944 5.686 637 HB3 GLU 105 2HB GLU 105 3.239 12.119 6.843 638 HG3 GLU 105 2HG GLU 105 2.025 9.963 7.862 639 H LYS 106 H LYS 106 3.386 12.211 4.553 640 HA LYS 106 HA LYS 106 6.145 12.757 3.935 641 HB3 LYS 106 2HB LYS 106 4.478 12.917 1.480 642 HG3 LYS 106 2HG LYS 106 6.877 13.468 1.509 643 HD3 LYS 106 2HD LYS 106 7.751 11.654 3.055 644 HE3 LYS 106 2HE LYS 106 6.360 10.025 1.131 645 HZ1 LYS 106 3HZ LYS 106 9.216 9.300 1.442 646 HZ2 LYS 106 1HZ LYS 106 8.575 9.862 0.054 647 HZ3 LYS 106 2HZ LYS 106 8.058 8.421 0.661 648 H GLU 107 H GLU 107 6.447 14.857 3.406 649 HA GLU 107 HA GLU 107 4.035 16.616 3.613 650 HB3 GLU 107 2HB GLU 107 6.828 17.220 4.638 651 HG3 GLU 107 2HG GLU 107 4.130 18.585 4.751 652 H TYR 108 H TYR 108 3.831 18.201 2.097 653 HA TYR 108 HA TYR 108 6.120 18.861 0.387 654 HB3 TYR 108 2HB TYR 108 4.899 18.594 -1.630 655 HD1 TYR 108 2HD TYR 108 6.570 16.840 -1.910 656 HD2 TYR 108 1HD TYR 108 2.873 16.110 0.163 657 HE1 TYR 108 2HE TYR 108 6.831 14.398 -2.282 658 HE2 TYR 108 1HE TYR 108 3.113 13.659 -0.217 659 HH TYR 108 HH TYR 108 5.867 12.277 -2.094 660 H ILE 109 H ILE 109 5.837 21.023 -0.616 661 HA ILE 109 HA ILE 109 3.472 22.534 0.192 662 HB ILE 109 HB ILE 109 6.218 23.728 0.672 663 HG13 ILE 109 2HG1 ILE 109 6.063 21.830 2.245 664 HG21 ILE 109 1HG2 ILE 109 3.486 24.497 1.795 665 HG22 ILE 109 2HG2 ILE 109 4.986 25.437 1.893 666 HG23 ILE 109 3HG2 ILE 109 4.202 25.223 0.347 667 HD11 ILE 109 3HD1 ILE 109 6.524 22.970 4.275 668 HD12 ILE 109 1HD1 ILE 109 7.148 23.978 2.951 669 HD13 ILE 109 2HD1 ILE 109 5.622 24.406 3.765 670 H THR 110 H THR 110 2.923 23.945 -1.411 671 HA THR 110 HA THR 110 4.257 24.003 -4.018 672 HB THR 110 HB THR 110 2.620 25.983 -4.280 673 HG1 THR 110 1HG THR 110 2.724 25.914 -1.789 674 HG21 THR 110 3HG2 THR 110 0.608 24.614 -4.373 675 HG22 THR 110 1HG2 THR 110 1.355 23.353 -3.360 676 HG23 THR 110 2HG2 THR 110 1.975 23.680 -5.000 677 H ASP 111 H ASP 111 5.734 25.584 -4.749 678 HA ASP 111 HA ASP 111 5.751 28.120 -3.243 679 HB3 ASP 111 2HB ASP 111 8.419 26.971 -4.073 680 H GLY 112 H GLY 112 4.677 27.064 -5.862 681 HA2 GLY 112 1HA GLY 112 4.043 28.376 -7.674 682 HA3 GLY 112 2HA GLY 112 5.525 29.341 -7.561 683 H ASN 113 H ASN 113 7.058 26.690 -7.147 684 HA ASN 113 HA ASN 113 7.509 25.945 -9.918 685 HB3 ASN 113 2HB ASN 113 8.818 24.069 -8.837 686 HD21 ASN 113 1HD2 ASN 113 10.262 25.677 -6.509 687 HD22 ASN 113 2HD2 ASN 113 11.198 26.864 -7.410 688 H THR 114 H THR 114 7.105 23.765 -10.682 689 HA THR 114 HA THR 114 4.351 22.992 -10.109 690 HB THR 114 HB THR 114 6.175 21.337 -11.846 691 HG1 THR 114 1HG THR 114 5.307 24.009 -12.298 692 HG21 THR 114 3HG2 THR 114 3.680 20.907 -11.600 693 HG22 THR 114 1HG2 THR 114 4.207 21.238 -13.263 694 HG23 THR 114 2HG2 THR 114 3.408 22.512 -12.325 695 H LEU 115 H LEU 115 3.706 21.582 -8.635 696 HA LEU 115 HA LEU 115 5.713 20.174 -6.992 697 HB3 LEU 115 2HB LEU 115 2.676 20.302 -6.754 698 HG LEU 115 HG LEU 115 2.798 20.070 -4.530 699 HD11 LEU 115 1HD1 LEU 115 5.082 18.242 -5.362 700 HD12 LEU 115 2HD1 LEU 115 3.336 17.896 -5.568 701 HD13 LEU 115 3HD1 LEU 115 4.027 18.090 -3.949 702 HD21 LEU 115 3HD2 LEU 115 4.621 20.242 -3.042 703 HD22 LEU 115 1HD2 LEU 115 4.509 21.694 -4.036 704 HD23 LEU 115 2HD2 LEU 115 5.778 20.479 -4.379 705 H ILE 116 H ILE 116 6.307 18.081 -7.932 706 HA ILE 116 HA ILE 116 4.059 16.314 -8.371 707 HB ILE 116 HB ILE 116 6.552 16.548 -10.080 708 HG13 ILE 116 2HG1 ILE 116 3.738 17.438 -10.634 709 HG21 ILE 116 1HG2 ILE 116 4.251 14.534 -10.066 710 HG22 ILE 116 2HG2 ILE 116 5.413 14.650 -11.397 711 HG23 ILE 116 3HG2 ILE 116 5.976 14.191 -9.799 712 HD11 ILE 116 3HD1 ILE 116 4.921 18.927 -12.232 713 HD12 ILE 116 1HD1 ILE 116 5.508 19.169 -10.581 714 HD13 ILE 116 2HD1 ILE 116 6.479 18.239 -11.739 715 H GLU 117 H GLU 117 4.568 14.300 -7.466 716 HA GLU 117 HA GLU 117 7.246 13.527 -6.860 717 HB3 GLU 117 2HB GLU 117 5.968 13.488 -4.252 718 HG3 GLU 117 2HG GLU 117 8.030 15.175 -3.954 719 H THR 118 H THR 118 7.073 11.462 -5.367 720 HA THR 118 HA THR 118 4.648 9.822 -5.931 721 HB THR 118 HB THR 118 6.384 8.009 -6.428 722 HG1 THR 118 1HG THR 118 7.880 10.273 -7.269 723 HG21 THR 118 3HG2 THR 118 5.879 10.161 -8.506 724 HG22 THR 118 1HG2 THR 118 4.854 8.777 -8.117 725 HG23 THR 118 2HG2 THR 118 6.439 8.503 -8.834 726 H PHE 119 H PHE 119 4.886 7.838 -4.713 727 HA PHE 119 HA PHE 119 6.568 7.602 -2.379 728 HB3 PHE 119 2HB PHE 119 5.044 9.219 -1.397 729 HD1 PHE 119 1HD PHE 119 2.682 6.313 -1.470 730 HD2 PHE 119 2HD PHE 119 3.403 10.352 -2.820 731 HE1 PHE 119 1HE PHE 119 0.332 6.497 -2.178 732 HE2 PHE 119 2HE PHE 119 1.031 10.512 -3.552 733 HZ PHE 119 HZ PHE 119 -0.500 8.592 -3.226 734 H SER 120 H SER 120 5.867 5.490 -1.106 735 HA SER 120 HA SER 120 4.086 3.763 -2.607 736 HB3 SER 120 2HB SER 120 5.531 2.717 -3.920 737 HG SER 120 HG SER 120 7.814 3.127 -3.854 738 H VAL 121 H VAL 121 3.498 1.912 -1.476 739 HA VAL 121 HA VAL 121 4.508 1.530 1.279 740 HB VAL 121 HB VAL 121 1.546 1.826 0.587 741 HG11 VAL 121 1HG1 VAL 121 2.124 0.540 2.598 742 HG12 VAL 121 2HG1 VAL 121 3.131 1.875 3.199 743 HG13 VAL 121 3HG1 VAL 121 1.375 2.084 3.071 744 HG21 VAL 121 3HG2 VAL 121 1.459 3.955 1.530 745 HG22 VAL 121 1HG2 VAL 121 3.216 3.992 1.881 746 HG23 VAL 121 2HG2 VAL 121 2.589 4.054 0.205 747 H SER 122 H SER 122 5.404 -0.427 0.496 748 HA SER 122 HA SER 122 3.552 -2.474 -0.631 749 HB3 SER 122 2HB SER 122 5.415 -3.614 -1.361 750 HG SER 122 HG SER 122 7.329 -1.974 -1.338 751 H THR 123 H THR 123 2.716 -3.981 0.831 752 HA THR 123 HA THR 123 3.670 -3.826 3.657 753 HB THR 123 HB THR 123 1.751 -5.379 4.108 754 HG1 THR 123 1HG THR 123 1.099 -4.733 1.407 755 HG21 THR 123 3HG2 THR 123 0.033 -3.652 3.890 756 HG22 THR 123 1HG2 THR 123 1.040 -2.770 2.723 757 HG23 THR 123 2HG2 THR 123 1.565 -2.924 4.407 758 H LYS 124 H LYS 124 5.036 -5.299 1.101 759 HA LYS 124 HA LYS 124 6.053 -7.443 2.750 760 HB3 LYS 124 2HB LYS 124 4.882 -7.947 0.006 761 HG3 LYS 124 2HG LYS 124 6.849 -9.425 0.407 762 HD3 LYS 124 2HD LYS 124 5.135 -10.373 2.746 763 HE3 LYS 124 2HE LYS 124 6.048 -12.247 1.303 764 HZ1 LYS 124 3HZ LYS 124 8.646 -11.577 2.520 765 HZ2 LYS 124 1HZ LYS 124 8.335 -11.143 0.998 766 HZ3 LYS 124 2HZ LYS 124 8.334 -12.743 1.423 767 H GLU 125 H GLU 125 8.067 -7.700 2.347 768 HA GLU 125 HA GLU 125 9.546 -6.247 0.207 769 HB3 GLU 125 2HB GLU 125 11.544 -7.210 1.562 770 HG3 GLU 125 2HG GLU 125 10.465 -5.200 3.392 771 H ILE 126 H ILE 126 10.359 -7.487 -1.343 772 HA ILE 126 HA ILE 126 10.229 -10.418 -1.191 773 HB ILE 126 HB ILE 126 9.636 -10.333 -3.624 774 HG13 ILE 126 2HG1 ILE 126 8.902 -7.418 -3.115 775 HG21 ILE 126 1HG2 ILE 126 8.041 -10.871 -1.762 776 HG22 ILE 126 2HG2 ILE 126 7.505 -9.176 -1.793 777 HG23 ILE 126 3HG2 ILE 126 7.267 -10.216 -3.204 778 HD11 ILE 126 3HD1 ILE 126 10.022 -7.064 -5.307 779 HD12 ILE 126 1HD1 ILE 126 11.167 -7.631 -4.089 780 HD13 ILE 126 2HD1 ILE 126 10.547 -8.761 -5.314 Start of MODEL 7 1 H1 GLY 1 H GLY 1 10.971 -23.437 -4.056 2 HA2 GLY 1 1HA GLY 1 8.944 -22.259 -3.465 3 HA3 GLY 1 2HA GLY 1 8.700 -23.427 -2.154 4 H ALA 2 H ALA 2 9.000 -22.397 -0.256 5 HA ALA 2 HA ALA 2 11.552 -21.397 0.507 6 HB1 ALA 2 1HB ALA 2 9.161 -19.484 0.580 7 HB2 ALA 2 2HB ALA 2 10.758 -19.209 1.304 8 HB3 ALA 2 3HB ALA 2 10.604 -19.301 -0.453 9 H SER 3 H SER 3 11.308 -20.849 3.041 10 HA SER 3 HA SER 3 9.807 -23.196 3.945 11 HB3 SER 3 2HB SER 3 12.178 -22.949 4.463 12 HG SER 3 HG SER 3 12.130 -20.639 5.064 13 H ASP 4 H ASP 4 9.287 -19.758 4.174 14 HA ASP 4 HA ASP 4 7.716 -20.000 6.673 15 HB3 ASP 4 2HB ASP 4 9.126 -17.785 5.195 16 H PHE 5 H PHE 5 5.558 -20.161 6.546 17 HA PHE 5 HA PHE 5 4.115 -18.477 4.586 18 HB3 PHE 5 2HB PHE 5 2.343 -20.100 4.427 19 HD1 PHE 5 2HD PHE 5 3.590 -19.245 2.229 20 HD2 PHE 5 1HD PHE 5 4.652 -22.818 4.400 21 HE1 PHE 5 2HE PHE 5 4.838 -20.077 0.259 22 HE2 PHE 5 1HE PHE 5 5.910 -23.633 2.442 23 HZ PHE 5 HZ PHE 5 6.006 -22.273 0.355 24 H GLN 6 H GLN 6 3.902 -16.850 6.079 25 HA GLN 6 HA GLN 6 1.693 -17.262 7.986 26 HB3 GLN 6 2HB GLN 6 2.990 -15.158 9.055 27 HG3 GLN 6 2HG GLN 6 3.948 -17.940 9.748 28 HE21 GLN 6 1HE2 GLN 6 2.477 -14.816 10.964 29 HE22 GLN 6 2HE2 GLN 6 3.735 -14.618 12.152 30 H THR 7 H THR 7 0.014 -16.246 6.998 31 HA THR 7 HA THR 7 0.028 -13.499 6.929 32 HB THR 7 HB THR 7 1.161 -13.601 4.787 33 HG1 THR 7 1HG THR 7 -0.879 -12.757 3.567 34 HG21 THR 7 3HG2 THR 7 -1.100 -15.446 4.014 35 HG22 THR 7 1HG2 THR 7 0.625 -15.804 4.043 36 HG23 THR 7 2HG2 THR 7 -0.028 -14.682 2.842 37 H GLY 8 H GLY 8 -2.243 -12.924 5.801 38 HA2 GLY 8 1HA GLY 8 -4.422 -14.750 6.603 39 HA3 GLY 8 2HA GLY 8 -4.023 -13.368 7.639 40 H ILE 9 H ILE 9 -4.313 -11.257 6.880 41 HA ILE 9 HA ILE 9 -5.786 -10.750 4.358 42 HB ILE 9 HB ILE 9 -6.743 -9.577 7.008 43 HG13 ILE 9 2HG1 ILE 9 -7.593 -12.190 5.778 44 HG21 ILE 9 1HG2 ILE 9 -7.292 -8.273 4.982 45 HG22 ILE 9 2HG2 ILE 9 -8.033 -9.730 4.261 46 HG23 ILE 9 3HG2 ILE 9 -8.734 -8.976 5.681 47 HD11 ILE 9 3HD1 ILE 9 -7.656 -11.055 8.616 48 HD12 ILE 9 1HD1 ILE 9 -8.148 -12.695 8.159 49 HD13 ILE 9 2HD1 ILE 9 -6.458 -12.210 8.009 50 H HIS 10 H HIS 10 -5.221 -8.677 3.530 51 HA HIS 10 HA HIS 10 -3.288 -7.053 5.156 52 HB3 HIS 10 2HB HIS 10 -2.696 -6.067 2.908 53 HD1 HIS 10 1HD HIS 10 -0.262 -6.482 3.555 54 HD2 HIS 10 2HD HIS 10 -2.434 -10.013 2.879 55 HE1 HIS 10 1HE HIS 10 1.418 -8.426 3.605 56 H LYS 11 H LYS 11 -3.626 -4.792 5.167 57 HA LYS 11 HA LYS 11 -5.911 -3.668 3.724 58 HB3 LYS 11 2HB LYS 11 -5.607 -3.435 6.749 59 HG3 LYS 11 2HG LYS 11 -7.774 -2.220 5.001 60 HD3 LYS 11 2HD LYS 11 -8.295 -2.875 7.455 61 HE3 LYS 11 2HE LYS 11 -6.492 -0.433 7.844 62 HZ1 LYS 11 3HZ LYS 11 -8.561 -0.381 9.160 63 HZ2 LYS 11 1HZ LYS 11 -7.205 -0.400 10.072 64 HZ3 LYS 11 2HZ LYS 11 -8.104 -1.789 9.899 65 H ILE 12 H ILE 12 -5.554 -1.479 3.241 66 HA ILE 12 HA ILE 12 -3.012 -0.211 4.153 67 HB ILE 12 HB ILE 12 -4.393 -0.096 1.442 68 HG13 ILE 12 2HG1 ILE 12 -2.390 -1.039 0.473 69 HG21 ILE 12 1HG2 ILE 12 -3.601 2.130 1.866 70 HG22 ILE 12 2HG2 ILE 12 -2.013 1.540 2.401 71 HG23 ILE 12 3HG2 ILE 12 -2.522 1.371 0.707 72 HD11 ILE 12 3HD1 ILE 12 -1.243 -1.387 3.263 73 HD12 ILE 12 1HD1 ILE 12 -0.586 -2.035 1.750 74 HD13 ILE 12 2HD1 ILE 12 -0.614 -0.288 2.011 75 H VAL 13 H VAL 13 -3.266 2.082 4.568 76 HA VAL 13 HA VAL 13 -5.995 3.210 4.513 77 HB VAL 13 HB VAL 13 -4.140 3.248 6.920 78 HG11 VAL 13 1HG1 VAL 13 -5.866 4.457 8.125 79 HG12 VAL 13 2HG1 VAL 13 -5.375 5.377 6.703 80 HG13 VAL 13 3HG1 VAL 13 -6.905 4.473 6.690 81 HG21 VAL 13 3HG2 VAL 13 -6.852 1.900 6.664 82 HG22 VAL 13 1HG2 VAL 13 -5.284 1.081 6.804 83 HG23 VAL 13 2HG2 VAL 13 -5.897 2.045 8.150 84 H ILE 14 H ILE 14 -5.896 5.435 3.922 85 HA ILE 14 HA ILE 14 -3.222 6.725 3.881 86 HB ILE 14 HB ILE 14 -5.247 6.683 1.610 87 HG13 ILE 14 2HG1 ILE 14 -2.819 5.151 2.049 88 HG21 ILE 14 1HG2 ILE 14 -4.513 8.963 1.779 89 HG22 ILE 14 2HG2 ILE 14 -2.819 8.466 1.968 90 HG23 ILE 14 3HG2 ILE 14 -3.673 8.229 0.427 91 HD11 ILE 14 3HD1 ILE 14 -4.843 4.267 0.923 92 HD12 ILE 14 1HD1 ILE 14 -4.522 5.375 -0.445 93 HD13 ILE 14 2HD1 ILE 14 -3.375 4.096 -0.064 94 H GLN 15 H GLN 15 -3.411 9.060 4.185 95 HA GLN 15 HA GLN 15 -6.095 10.153 4.599 96 HB3 GLN 15 2HB GLN 15 -5.482 11.126 6.777 97 HG3 GLN 15 2HG GLN 15 -4.831 8.137 6.851 98 HE21 GLN 15 1HE2 GLN 15 -6.112 7.283 8.975 99 HE22 GLN 15 2HE2 GLN 15 -5.598 8.104 10.418 100 H GLN 16 H GLN 16 -5.822 12.651 4.954 101 HA GLN 16 HA GLN 16 -3.522 13.766 3.466 102 HB3 GLN 16 2HB GLN 16 -5.368 13.285 1.873 103 HG3 GLN 16 2HG GLN 16 -6.933 15.445 3.313 104 HE21 GLN 16 1HE2 GLN 16 -6.566 13.599 0.536 105 HE22 GLN 16 2HE2 GLN 16 -8.021 14.071 -0.297 106 H SER 17 H SER 17 -3.155 15.992 4.033 107 HA SER 17 HA SER 17 -5.026 17.447 5.561 108 HB3 SER 17 2HB SER 17 -3.061 18.064 7.281 109 HG SER 17 HG SER 17 -3.699 15.972 8.453 110 H GLY 18 H GLY 18 -4.182 19.789 5.706 111 HA2 GLY 18 1HA GLY 18 -2.961 21.552 4.725 112 HA3 GLY 18 2HA GLY 18 -2.191 20.423 3.591 113 H ASP 19 H ASP 19 -2.936 21.842 1.872 114 HA ASP 19 HA ASP 19 -5.704 22.603 1.618 115 HB3 ASP 19 2HB ASP 19 -4.942 23.785 -0.347 116 H THR 20 H THR 20 -7.058 20.920 1.260 117 HA THR 20 HA THR 20 -6.342 18.660 -0.464 118 HB THR 20 HB THR 20 -8.584 17.763 0.199 119 HG1 THR 20 1HG THR 20 -8.720 20.233 1.553 120 HG21 THR 20 3HG2 THR 20 -6.607 17.135 1.487 121 HG22 THR 20 1HG2 THR 20 -8.032 17.278 2.510 122 HG23 THR 20 2HG2 THR 20 -6.822 18.557 2.543 123 H ASP 21 H ASP 21 -7.760 21.667 -1.259 124 HA ASP 21 HA ASP 21 -9.826 20.540 -3.026 125 HB3 ASP 21 2HB ASP 21 -10.118 23.087 -3.492 126 H SER 22 H SER 22 -6.534 21.441 -3.276 127 HA SER 22 HA SER 22 -6.646 21.488 -6.258 128 HB3 SER 22 2HB SER 22 -4.617 23.263 -5.092 129 HG SER 22 HG SER 22 -5.302 23.505 -7.186 130 H PHE 23 H PHE 23 -5.908 19.285 -4.571 131 HA PHE 23 HA PHE 23 -3.233 18.781 -5.772 132 HB3 PHE 23 2HB PHE 23 -3.218 19.121 -3.167 133 HD1 PHE 23 1HD PHE 23 -5.974 18.198 -2.934 134 HD2 PHE 23 2HD PHE 23 -2.334 15.933 -2.566 135 HE1 PHE 23 1HE PHE 23 -7.245 16.348 -1.902 136 HE2 PHE 23 2HE PHE 23 -3.605 14.171 -1.338 137 HZ PHE 23 HZ PHE 23 -6.010 14.260 -1.245 138 H GLU 24 H GLU 24 -2.960 16.548 -6.438 139 HA GLU 24 HA GLU 24 -5.483 14.967 -6.717 140 HB3 GLU 24 2HB GLU 24 -4.252 14.579 -9.088 141 HG3 GLU 24 2HG GLU 24 -6.555 15.081 -8.941 142 H VAL 25 H VAL 25 -5.079 12.994 -5.960 143 HA VAL 25 HA VAL 25 -2.331 11.844 -6.207 144 HB VAL 25 HB VAL 25 -4.154 11.615 -3.780 145 HG11 VAL 25 1HG1 VAL 25 -2.683 9.642 -4.059 146 HG12 VAL 25 2HG1 VAL 25 -1.280 10.704 -4.197 147 HG13 VAL 25 3HG1 VAL 25 -2.181 10.611 -2.667 148 HG21 VAL 25 3HG2 VAL 25 -3.388 13.836 -3.836 149 HG22 VAL 25 1HG2 VAL 25 -2.407 12.966 -2.631 150 HG23 VAL 25 2HG2 VAL 25 -1.737 13.329 -4.241 151 H SER 26 H SER 26 -2.630 10.224 -7.653 152 HA SER 26 HA SER 26 -4.921 8.349 -7.204 153 HB3 SER 26 2HB SER 26 -2.846 8.277 -9.421 154 HG SER 26 HG SER 26 -4.181 6.686 -10.246 155 H VAL 27 H VAL 27 -4.535 6.406 -6.468 156 HA VAL 27 HA VAL 27 -1.744 5.422 -6.059 157 HB VAL 27 HB VAL 27 -2.647 4.016 -4.188 158 HG11 VAL 27 1HG1 VAL 27 -2.560 7.018 -3.737 159 HG12 VAL 27 2HG1 VAL 27 -2.302 5.765 -2.500 160 HG13 VAL 27 3HG1 VAL 27 -1.160 5.923 -3.850 161 HG21 VAL 27 3HG2 VAL 27 -4.548 4.749 -2.873 162 HG22 VAL 27 1HG2 VAL 27 -4.884 6.083 -4.002 163 HG23 VAL 27 2HG2 VAL 27 -5.107 4.400 -4.511 164 H SER 28 H SER 28 -1.316 3.499 -7.014 165 HA SER 28 HA SER 28 -3.408 1.995 -8.412 166 HB3 SER 28 2HB SER 28 -0.474 1.415 -7.843 167 HG SER 28 HG SER 28 -2.246 0.181 -9.695 168 H ILE 29 H ILE 29 -4.348 0.157 -7.602 169 HA ILE 29 HA ILE 29 -3.611 -0.761 -4.889 170 HB ILE 29 HB ILE 29 -6.348 -0.015 -5.953 171 HG13 ILE 29 2HG1 ILE 29 -4.764 1.722 -4.751 172 HG21 ILE 29 1HG2 ILE 29 -7.277 -0.956 -3.803 173 HG22 ILE 29 2HG2 ILE 29 -6.590 -2.183 -4.851 174 HG23 ILE 29 3HG2 ILE 29 -5.682 -1.617 -3.436 175 HD11 ILE 29 3HD1 ILE 29 -7.117 2.161 -5.125 176 HD12 ILE 29 1HD1 ILE 29 -7.549 1.229 -3.679 177 HD13 ILE 29 2HD1 ILE 29 -6.609 2.718 -3.508 178 H GLY 30 H GLY 30 -2.793 -2.658 -5.339 179 HA2 GLY 30 1HA GLY 30 -4.288 -4.589 -6.952 180 HA3 GLY 30 2HA GLY 30 -2.609 -4.271 -7.405 181 H GLY 31 H GLY 31 -3.413 -6.859 -6.525 182 HA2 GLY 31 1HA GLY 31 -1.399 -7.324 -4.614 183 HA3 GLY 31 2HA GLY 31 -3.011 -7.460 -3.871 184 H ALA 32 H ALA 32 -1.695 -9.749 -3.951 185 HA ALA 32 HA ALA 32 -2.801 -11.327 -6.222 186 HB1 ALA 32 1HB ALA 32 -0.299 -11.174 -6.450 187 HB2 ALA 32 2HB ALA 32 -0.137 -11.828 -4.789 188 HB3 ALA 32 3HB ALA 32 -0.817 -12.819 -6.058 189 H ASP 33 H ASP 33 -3.247 -13.622 -5.545 190 HA ASP 33 HA ASP 33 -2.552 -14.226 -2.850 191 HB3 ASP 33 2HB ASP 33 -4.823 -13.427 -2.443 192 H LYS 34 H LYS 34 -2.559 -16.352 -2.463 193 HA LYS 34 HA LYS 34 -0.951 -17.971 -2.845 194 HB3 LYS 34 2HB LYS 34 -3.112 -18.819 -4.721 195 HG3 LYS 34 2HG LYS 34 -1.063 -20.330 -3.061 196 HD3 LYS 34 2HD LYS 34 -3.429 -21.624 -4.485 197 HE3 LYS 34 2HE LYS 34 -2.950 -23.297 -2.547 198 HZ1 LYS 34 3HZ LYS 34 -0.947 -23.165 -4.699 199 HZ2 LYS 34 1HZ LYS 34 -2.471 -23.815 -4.845 200 HZ3 LYS 34 2HZ LYS 34 -1.410 -24.490 -3.818 201 H GLY 35 H GLY 35 -1.271 -15.957 -5.486 202 HA2 GLY 35 1HA GLY 35 1.243 -15.573 -6.212 203 HA3 GLY 35 2HA GLY 35 0.955 -17.153 -6.961 204 H GLY 36 H GLY 36 -2.022 -16.266 -7.135 205 HA2 GLY 36 1HA GLY 36 -1.857 -15.050 -9.846 206 HA3 GLY 36 2HA GLY 36 -3.182 -16.010 -9.153 207 HA PRO 37 HA PRO 37 -4.104 -11.386 -8.852 208 HB3 PRO 37 2HB PRO 37 -5.175 -11.442 -10.950 209 HG3 PRO 37 2HG PRO 37 -6.303 -13.382 -11.736 210 HD3 PRO 37 2HD PRO 37 -4.058 -14.004 -11.292 211 H ALA 38 H ALA 38 -5.514 -10.353 -7.226 212 HA ALA 38 HA ALA 38 -7.283 -12.243 -5.762 213 HB1 ALA 38 1HB ALA 38 -6.523 -11.109 -3.674 214 HB2 ALA 38 2HB ALA 38 -5.385 -12.173 -4.443 215 HB3 ALA 38 3HB ALA 38 -5.182 -10.402 -4.634 216 H LYS 39 H LYS 39 -9.140 -11.470 -5.094 217 HA LYS 39 HA LYS 39 -10.286 -9.154 -6.313 218 HB3 LYS 39 2HB LYS 39 -12.158 -9.828 -4.592 219 HG3 LYS 39 2HG LYS 39 -11.216 -11.986 -6.520 220 HD3 LYS 39 2HD LYS 39 -13.973 -10.834 -5.869 221 HE3 LYS 39 2HE LYS 39 -12.984 -12.696 -8.060 222 HZ1 LYS 39 3HZ LYS 39 -15.277 -13.097 -8.565 223 HZ2 LYS 39 1HZ LYS 39 -15.776 -12.344 -7.167 224 HZ3 LYS 39 2HZ LYS 39 -14.860 -13.732 -7.116 225 H LEU 40 H LEU 40 -9.784 -7.017 -5.699 226 HA LEU 40 HA LEU 40 -9.034 -6.501 -2.893 227 HB3 LEU 40 2HB LEU 40 -8.528 -4.240 -3.796 228 HG LEU 40 HG LEU 40 -7.335 -6.716 -5.019 229 HD11 LEU 40 1HD1 LEU 40 -6.046 -5.672 -6.631 230 HD12 LEU 40 2HD1 LEU 40 -6.638 -4.036 -6.194 231 HD13 LEU 40 3HD1 LEU 40 -7.708 -5.218 -6.956 232 HD21 LEU 40 3HD2 LEU 40 -5.283 -5.858 -4.110 233 HD22 LEU 40 1HD2 LEU 40 -6.535 -5.771 -2.870 234 HD23 LEU 40 2HD2 LEU 40 -6.041 -4.293 -3.729 235 H TYR 41 H TYR 41 -10.103 -4.665 -1.774 236 HA TYR 41 HA TYR 41 -12.972 -4.397 -2.464 237 HB3 TYR 41 2HB TYR 41 -13.380 -4.480 0.017 238 HD1 TYR 41 2HD TYR 41 -10.985 -7.180 -1.063 239 HD2 TYR 41 1HD TYR 41 -15.076 -6.075 -0.317 240 HE1 TYR 41 2HE TYR 41 -11.672 -9.453 -1.552 241 HE2 TYR 41 1HE TYR 41 -15.792 -8.411 -0.749 242 HH TYR 41 HH TYR 41 -14.738 -10.656 -0.567 243 H ASN 42 H ASN 42 -13.916 -2.578 -1.882 244 HA ASN 42 HA ASN 42 -12.175 -0.219 -1.411 245 HB3 ASN 42 2HB ASN 42 -13.779 -0.280 -3.406 246 HD21 ASN 42 1HD2 ASN 42 -15.694 -2.061 -2.418 247 HD22 ASN 42 2HD2 ASN 42 -17.173 -1.127 -2.377 248 H ASP 43 H ASP 43 -13.662 1.595 -0.252 249 HA ASP 43 HA ASP 43 -13.495 0.686 2.473 250 HB3 ASP 43 2HB ASP 43 -14.478 3.302 1.480 251 H LYS 44 H LYS 44 -16.065 0.622 0.281 252 HA LYS 44 HA LYS 44 -18.349 0.846 2.135 253 HB3 LYS 44 2HB LYS 44 -19.546 -0.290 0.189 254 HG3 LYS 44 2HG LYS 44 -18.728 1.681 -1.500 255 HD3 LYS 44 2HD LYS 44 -20.540 1.983 0.914 256 HE3 LYS 44 2HE LYS 44 -20.093 3.710 -1.549 257 HZ1 LYS 44 3HZ LYS 44 -22.042 4.937 -0.728 258 HZ2 LYS 44 1HZ LYS 44 -22.402 3.678 0.267 259 HZ3 LYS 44 2HZ LYS 44 -22.430 3.485 -1.376 260 H GLY 45 H GLY 45 -15.843 -1.371 1.454 261 HA2 GLY 45 1HA GLY 45 -15.316 -3.261 2.379 262 HA3 GLY 45 2HA GLY 45 -16.924 -3.437 3.138 263 H GLU 46 H GLU 46 -16.792 -2.786 -0.284 264 HA GLU 46 HA GLU 46 -17.752 -5.534 -0.917 265 HB3 GLU 46 2HB GLU 46 -18.809 -4.434 -2.888 266 HG3 GLU 46 2HG GLU 46 -19.890 -2.678 -0.768 267 H TYR 47 H TYR 47 -17.123 -6.382 -2.996 268 HA TYR 47 HA TYR 47 -14.316 -5.870 -3.597 269 HB3 TYR 47 2HB TYR 47 -15.625 -8.153 -3.552 270 HD1 TYR 47 1HD TYR 47 -18.077 -7.771 -4.408 271 HD2 TYR 47 2HD TYR 47 -14.691 -8.023 -7.031 272 HE1 TYR 47 1HE TYR 47 -19.558 -8.588 -6.221 273 HE2 TYR 47 2HE TYR 47 -16.134 -8.788 -8.866 274 HH TYR 47 HH TYR 47 -18.317 -9.468 -9.465 275 H ILE 48 H ILE 48 -13.574 -5.246 -5.768 276 HA ILE 48 HA ILE 48 -15.492 -3.915 -7.571 277 HB ILE 48 HB ILE 48 -14.257 -1.743 -7.357 278 HG13 ILE 48 2HG1 ILE 48 -12.465 -2.854 -5.746 279 HG21 ILE 48 1HG2 ILE 48 -15.854 -2.400 -4.841 280 HG22 ILE 48 2HG2 ILE 48 -15.714 -0.836 -5.665 281 HG23 ILE 48 3HG2 ILE 48 -16.591 -2.166 -6.423 282 HD11 ILE 48 3HD1 ILE 48 -13.579 -0.004 -5.701 283 HD12 ILE 48 1HD1 ILE 48 -12.050 -0.471 -4.963 284 HD13 ILE 48 2HD1 ILE 48 -12.276 -0.653 -6.715 285 H GLY 49 H GLY 49 -12.982 -5.873 -7.494 286 HA2 GLY 49 1HA GLY 49 -12.206 -6.254 -9.885 287 HA3 GLY 49 2HA GLY 49 -11.463 -4.655 -9.756 288 H ASP 50 H ASP 50 -9.880 -6.831 -10.283 289 HA ASP 50 HA ASP 50 -8.394 -7.317 -7.728 290 HB3 ASP 50 2HB ASP 50 -9.199 -9.362 -8.738 291 H SER 51 H SER 51 -8.298 -5.299 -10.315 292 HA SER 51 HA SER 51 -5.765 -4.345 -9.385 293 HB3 SER 51 2HB SER 51 -4.701 -4.019 -11.499 294 HG SER 51 HG SER 51 -5.743 -6.518 -12.147 295 H TYR 52 H TYR 52 -6.026 -2.012 -9.325 296 HA TYR 52 HA TYR 52 -7.354 -0.651 -11.417 297 HB3 TYR 52 2HB TYR 52 -9.463 -1.107 -10.466 298 HD1 TYR 52 1HD TYR 52 -8.268 0.870 -7.541 299 HD2 TYR 52 2HD TYR 52 -10.000 -2.824 -8.927 300 HE1 TYR 52 1HE TYR 52 -8.882 0.296 -5.230 301 HE2 TYR 52 2HE TYR 52 -10.587 -3.437 -6.612 302 HH TYR 52 HH TYR 52 -10.088 -1.183 -3.885 303 H SER 53 H SER 53 -7.666 1.795 -10.428 304 HA SER 53 HA SER 53 -5.700 2.330 -8.319 305 HB3 SER 53 2HB SER 53 -5.043 4.432 -9.483 306 HG SER 53 HG SER 53 -3.999 3.142 -11.371 307 H ALA 54 H ALA 54 -6.301 4.248 -7.100 308 HA ALA 54 HA ALA 54 -9.029 5.264 -7.540 309 HB1 ALA 54 1HB ALA 54 -9.213 3.323 -5.894 310 HB2 ALA 54 2HB ALA 54 -8.096 4.218 -4.830 311 HB3 ALA 54 3HB ALA 54 -9.673 4.899 -5.211 312 H GLN 55 H GLN 55 -9.369 7.262 -6.372 313 HA GLN 55 HA GLN 55 -6.819 8.705 -5.985 314 HB3 GLN 55 2HB GLN 55 -9.559 9.792 -6.677 315 HG3 GLN 55 2HG GLN 55 -6.818 10.891 -7.399 316 HE21 GLN 55 1HE2 GLN 55 -9.060 13.201 -6.331 317 HE22 GLN 55 2HE2 GLN 55 -9.917 13.471 -7.844 318 H ILE 56 H ILE 56 -6.375 9.793 -4.264 319 HA ILE 56 HA ILE 56 -8.010 9.579 -1.842 320 HB ILE 56 HB ILE 56 -5.523 11.279 -2.143 321 HG13 ILE 56 2HG1 ILE 56 -4.143 9.396 -1.516 322 HG21 ILE 56 1HG2 ILE 56 -6.767 11.592 -0.047 323 HG22 ILE 56 2HG2 ILE 56 -6.733 9.866 0.281 324 HG23 ILE 56 3HG2 ILE 56 -5.224 10.812 0.257 325 HD11 ILE 56 3HD1 ILE 56 -5.851 7.895 -0.416 326 HD12 ILE 56 1HD1 ILE 56 -6.588 7.624 -2.008 327 HD13 ILE 56 2HD1 ILE 56 -4.929 7.092 -1.707 328 H ARG 57 H ARG 57 -9.877 10.590 -2.626 329 HA ARG 57 HA ARG 57 -9.790 13.575 -2.545 330 HB3 ARG 57 2HB ARG 57 -10.638 13.433 -4.513 331 HG3 ARG 57 2HG ARG 57 -10.626 11.076 -4.950 332 HD3 ARG 57 2HD ARG 57 -13.041 11.146 -3.158 333 HE ARG 57 HE ARG 57 -14.085 10.306 -5.029 334 HH11 ARG 57 1HH1 ARG 57 -11.237 8.262 -4.291 335 HH12 ARG 57 2HH1 ARG 57 -11.952 6.834 -4.997 336 HH21 ARG 57 1HH2 ARG 57 -14.968 8.413 -5.927 337 HH22 ARG 57 2HH2 ARG 57 -13.997 7.011 -6.171 338 H THR 58 H THR 58 -9.675 11.768 -0.248 339 HA THR 58 HA THR 58 -12.237 12.411 1.025 340 HB THR 58 HB THR 58 -12.245 10.033 1.879 341 HG1 THR 58 1HG THR 58 -10.542 9.002 1.442 342 HG21 THR 58 3HG2 THR 58 -13.259 9.079 -0.079 343 HG22 THR 58 1HG2 THR 58 -12.491 10.295 -1.134 344 HG23 THR 58 2HG2 THR 58 -13.718 10.791 0.054 345 H ALA 59 H ALA 59 -11.964 12.963 3.137 346 HA ALA 59 HA ALA 59 -9.490 13.720 4.131 347 HB1 ALA 59 1HB ALA 59 -10.699 14.039 6.272 348 HB2 ALA 59 2HB ALA 59 -11.677 14.590 4.906 349 HB3 ALA 59 3HB ALA 59 -12.033 13.029 5.683 350 H THR 60 H THR 60 -10.878 10.484 4.146 351 HA THR 60 HA THR 60 -8.352 9.502 5.159 352 HB THR 60 HB THR 60 -9.623 7.741 6.468 353 HG1 THR 60 1HG THR 60 -11.697 9.483 5.852 354 HG21 THR 60 3HG2 THR 60 -9.885 10.516 7.676 355 HG22 THR 60 1HG2 THR 60 -8.374 9.597 7.603 356 HG23 THR 60 2HG2 THR 60 -9.744 8.969 8.535 357 H MET 61 H MET 61 -7.992 7.316 4.227 358 HA MET 61 HA MET 61 -10.137 6.204 2.562 359 HB3 MET 61 2HB MET 61 -7.356 6.040 1.484 360 HG3 MET 61 2HG MET 61 -8.704 7.040 -0.458 361 HE1 MET 61 3HE MET 61 -7.319 5.423 -1.760 362 HE2 MET 61 1HE MET 61 -6.762 4.831 -0.182 363 HE3 MET 61 2HE MET 61 -7.243 3.675 -1.440 364 H SER 62 H SER 62 -9.600 3.924 1.967 365 HA SER 62 HA SER 62 -7.417 2.533 2.979 366 HB3 SER 62 2HB SER 62 -8.219 2.680 5.145 367 HG SER 62 HG SER 62 -10.678 1.788 5.210 368 H CYS 63 H CYS 63 -7.476 0.285 2.434 369 HA CYS 63 HA CYS 63 -9.724 -0.765 0.856 370 HB3 CYS 63 2HB CYS 63 -8.356 -1.316 -1.052 371 HG CYS 63 HG CYS 63 -7.237 0.872 -2.046 372 H CYS 64 H CYS 64 -9.551 -3.167 0.794 373 HA CYS 64 HA CYS 64 -7.332 -4.390 2.283 374 HB3 CYS 64 2HB CYS 64 -8.772 -4.110 4.149 375 HG CYS 64 HG CYS 64 -11.301 -4.762 4.362 376 H THR 65 H THR 65 -7.801 -6.867 2.363 377 HA THR 65 HA THR 65 -8.316 -7.686 -0.429 378 HB THR 65 HB THR 65 -6.840 -9.591 0.219 379 HG1 THR 65 1HG THR 65 -7.225 -9.865 2.299 380 HG21 THR 65 3HG2 THR 65 -5.594 -6.976 1.141 381 HG22 THR 65 1HG2 THR 65 -5.874 -7.379 -0.559 382 HG23 THR 65 2HG2 THR 65 -4.789 -8.387 0.429 383 H ASN 66 H ASN 66 -9.059 -9.975 -0.576 384 HA ASN 66 HA ASN 66 -11.301 -10.643 1.219 385 HB3 ASN 66 2HB ASN 66 -11.297 -11.469 -1.213 386 HD21 ASN 66 1HD2 ASN 66 -8.728 -11.430 -1.901 387 HD22 ASN 66 2HD2 ASN 66 -8.235 -13.041 -2.249 388 H GLY 67 H GLY 67 -10.981 -12.977 2.191 389 HA2 GLY 67 1HA GLY 67 -8.860 -12.748 4.088 390 HA3 GLY 67 2HA GLY 67 -9.999 -14.081 3.941 391 H ASN 68 H ASN 68 -7.669 -12.997 1.385 392 HA ASN 68 HA ASN 68 -5.673 -14.770 2.237 393 HB3 ASN 68 2HB ASN 68 -6.153 -15.537 -0.570 394 HD21 ASN 68 1HD2 ASN 68 -6.733 -16.938 2.669 395 HD22 ASN 68 2HD2 ASN 68 -5.537 -18.197 2.618 396 H ALA 69 H ALA 69 -3.794 -13.808 1.668 397 HA ALA 69 HA ALA 69 -3.110 -12.713 -0.792 398 HB1 ALA 69 1HB ALA 69 -4.417 -10.734 -0.353 399 HB2 ALA 69 2HB ALA 69 -3.829 -10.629 1.316 400 HB3 ALA 69 3HB ALA 69 -2.728 -10.300 -0.049 401 H PHE 70 H PHE 70 -0.802 -12.121 -0.752 402 HA PHE 70 HA PHE 70 0.647 -13.064 1.681 403 HB3 PHE 70 2HB PHE 70 2.427 -13.633 -0.043 404 HD1 PHE 70 1HD PHE 70 2.276 -15.458 1.544 405 HD2 PHE 70 2HD PHE 70 -0.674 -14.966 -1.549 406 HE1 PHE 70 1HE PHE 70 1.429 -17.755 2.004 407 HE2 PHE 70 2HE PHE 70 -1.581 -17.283 -1.002 408 HZ PHE 70 HZ PHE 70 -0.479 -18.652 0.711 409 H PHE 71 H PHE 71 0.177 -10.404 -0.472 410 HA PHE 71 HA PHE 71 1.849 -8.696 1.137 411 HB3 PHE 71 2HB PHE 71 3.462 -9.541 -0.590 412 HD1 PHE 71 1HD PHE 71 1.874 -6.907 -2.693 413 HD2 PHE 71 2HD PHE 71 2.796 -11.117 -2.333 414 HE1 PHE 71 1HE PHE 71 1.224 -7.262 -5.046 415 HE2 PHE 71 2HE PHE 71 2.235 -11.428 -4.722 416 HZ PHE 71 HZ PHE 71 1.426 -9.501 -6.080 417 H MET 72 H MET 72 1.529 -6.354 0.013 418 HA MET 72 HA MET 72 -0.691 -6.117 -1.751 419 HB3 MET 72 2HB MET 72 -0.907 -4.669 0.935 420 HG3 MET 72 2HG MET 72 -2.814 -5.078 -1.395 421 HE1 MET 72 3HE MET 72 -6.173 -3.783 0.179 422 HE2 MET 72 1HE MET 72 -4.920 -2.632 -0.290 423 HE3 MET 72 2HE MET 72 -5.245 -4.054 -1.317 424 H THR 73 H THR 73 -0.444 -3.984 -2.803 425 HA THR 73 HA THR 73 1.972 -2.458 -2.002 426 HB THR 73 HB THR 73 2.435 -3.837 -4.019 427 HG1 THR 73 1HG THR 73 3.592 -2.039 -4.150 428 HG21 THR 73 3HG2 THR 73 0.160 -3.990 -4.999 429 HG22 THR 73 1HG2 THR 73 1.296 -3.314 -6.155 430 HG23 THR 73 2HG2 THR 73 0.169 -2.239 -5.330 431 H CYS 74 H CYS 74 1.768 -0.198 -2.437 432 HA CYS 74 HA CYS 74 -0.629 0.824 -3.665 433 HB3 CYS 74 2HB CYS 74 -0.049 1.829 -0.861 434 HG CYS 74 HG CYS 74 -2.393 1.781 -3.210 435 H ALA 75 H ALA 75 0.711 1.794 -5.172 436 HA ALA 75 HA ALA 75 2.592 3.863 -4.225 437 HB1 ALA 75 1HB ALA 75 4.125 3.271 -6.034 438 HB2 ALA 75 2HB ALA 75 3.918 1.888 -4.945 439 HB3 ALA 75 3HB ALA 75 3.088 1.907 -6.515 440 H GLY 76 H GLY 76 2.498 5.729 -5.527 441 HA2 GLY 76 1HA GLY 76 0.195 5.823 -7.470 442 HA3 GLY 76 2HA GLY 76 0.235 6.750 -5.965 443 H SER 77 H SER 77 0.068 8.693 -7.240 444 HA SER 77 HA SER 77 2.645 9.659 -6.768 445 HB3 SER 77 2HB SER 77 3.357 10.689 -8.620 446 HG SER 77 HG SER 77 2.793 8.432 -9.272 447 H VAL 78 H VAL 78 2.523 12.145 -6.748 448 HA VAL 78 HA VAL 78 -0.237 13.118 -6.156 449 HB VAL 78 HB VAL 78 2.407 13.972 -4.901 450 HG11 VAL 78 1HG1 VAL 78 0.808 15.127 -3.195 451 HG12 VAL 78 2HG1 VAL 78 1.045 15.882 -4.765 452 HG13 VAL 78 3HG1 VAL 78 -0.434 14.974 -4.459 453 HG21 VAL 78 3HG2 VAL 78 0.230 12.329 -3.584 454 HG22 VAL 78 1HG2 VAL 78 1.879 11.795 -4.017 455 HG23 VAL 78 2HG2 VAL 78 1.656 13.022 -2.779 456 H SER 79 H SER 79 -0.592 15.333 -6.864 457 HA SER 79 HA SER 79 1.636 16.926 -7.780 458 HB3 SER 79 2HB SER 79 -0.628 16.099 -9.625 459 HG SER 79 HG SER 79 -0.564 18.062 -10.180 460 H SER 80 H SER 80 1.004 19.080 -8.160 461 HA SER 80 HA SER 80 -1.626 20.049 -7.504 462 HB3 SER 80 2HB SER 80 -0.101 21.759 -5.891 463 HG SER 80 HG SER 80 -2.209 20.529 -5.471 464 H ILE 81 H ILE 81 -1.921 21.836 -8.887 465 HA ILE 81 HA ILE 81 0.522 22.952 -10.214 466 HB ILE 81 HB ILE 81 -2.181 23.419 -11.373 467 HG13 ILE 81 2HG1 ILE 81 -2.405 21.447 -12.617 468 HG21 ILE 81 1HG2 ILE 81 -0.257 24.435 -12.450 469 HG22 ILE 81 2HG2 ILE 81 0.553 22.870 -12.591 470 HG23 ILE 81 3HG2 ILE 81 -0.926 23.207 -13.522 471 HD11 ILE 81 3HD1 ILE 81 -1.121 19.404 -12.158 472 HD12 ILE 81 1HD1 ILE 81 -0.089 20.648 -12.857 473 HD13 ILE 81 2HD1 ILE 81 -0.004 20.316 -11.116 474 H SER 82 H SER 82 -1.003 23.662 -7.546 475 HA SER 82 HA SER 82 -2.518 25.927 -8.312 476 HB3 SER 82 2HB SER 82 -1.703 24.939 -5.533 477 HG SER 82 HG SER 82 -3.946 26.171 -5.284 478 H GLU 83 H GLU 83 -1.897 27.845 -6.515 479 HA GLU 83 HA GLU 83 0.615 29.000 -7.417 480 HB3 GLU 83 2HB GLU 83 -0.807 30.654 -6.761 481 HG3 GLU 83 2HG GLU 83 -1.638 30.846 -4.275 482 H ALA 84 H ALA 84 2.275 29.745 -6.018 483 HA ALA 84 HA ALA 84 3.227 27.898 -4.297 484 HB1 ALA 84 1HB ALA 84 3.787 30.916 -4.286 485 HB2 ALA 84 2HB ALA 84 4.874 29.714 -3.579 486 HB3 ALA 84 3HB ALA 84 4.616 29.769 -5.344 487 H GLY 85 H GLY 85 3.595 27.921 -1.981 488 HA2 GLY 85 1HA GLY 85 3.215 28.584 0.197 489 HA3 GLY 85 2HA GLY 85 2.104 29.840 -0.355 490 H LYS 86 H LYS 86 1.223 26.843 -1.732 491 HA LYS 86 HA LYS 86 -0.834 26.208 0.328 492 HB3 LYS 86 2HB LYS 86 -1.561 24.493 -1.306 493 HG3 LYS 86 2HG LYS 86 -2.221 25.915 -3.203 494 HD3 LYS 86 2HD LYS 86 -2.306 27.360 -0.517 495 HE3 LYS 86 2HE LYS 86 -4.326 27.792 -2.694 496 HZ1 LYS 86 3HZ LYS 86 -4.538 28.735 -0.442 497 HZ2 LYS 86 1HZ LYS 86 -4.372 29.934 -1.573 498 HZ3 LYS 86 2HZ LYS 86 -3.108 29.507 -0.604 499 H ARG 87 H ARG 87 -0.869 23.774 0.866 500 HA ARG 87 HA ARG 87 1.883 22.774 1.507 501 HB3 ARG 87 2HB ARG 87 1.035 22.520 3.879 502 HG3 ARG 87 2HG ARG 87 0.968 25.423 2.988 503 HD3 ARG 87 2HD ARG 87 1.969 24.117 5.528 504 HE ARG 87 HE ARG 87 2.081 26.854 4.458 505 HH11 ARG 87 1HH1 ARG 87 2.423 24.809 7.308 506 HH12 ARG 87 2HH1 ARG 87 2.735 26.103 8.414 507 HH21 ARG 87 1HH2 ARG 87 2.594 28.629 5.873 508 HH22 ARG 87 2HH2 ARG 87 2.929 28.345 7.542 509 H LEU 88 H LEU 88 1.774 20.462 2.065 510 HA LEU 88 HA LEU 88 -0.799 19.147 1.892 511 HB3 LEU 88 2HB LEU 88 1.276 18.407 -0.232 512 HG LEU 88 HG LEU 88 -0.678 17.818 -1.640 513 HD11 LEU 88 1HD1 LEU 88 0.509 16.062 -0.541 514 HD12 LEU 88 2HD1 LEU 88 -1.215 15.692 -0.523 515 HD13 LEU 88 3HD1 LEU 88 -0.439 16.282 0.947 516 HD21 LEU 88 3HD2 LEU 88 -2.295 18.596 0.779 517 HD22 LEU 88 1HD2 LEU 88 -2.894 17.328 -0.243 518 HD23 LEU 88 2HD2 LEU 88 -2.569 18.954 -0.902 519 H HIS 89 H HIS 89 -0.676 17.652 3.494 520 HA HIS 89 HA HIS 89 1.887 16.229 3.968 521 HB3 HIS 89 2HB HIS 89 -0.338 16.820 5.949 522 HD1 HIS 89 1HD HIS 89 3.060 17.341 7.349 523 HD2 HIS 89 2HD HIS 89 0.469 14.068 6.584 524 HE1 HIS 89 1HE HIS 89 3.684 15.508 8.979 525 H ILE 90 H ILE 90 1.730 14.046 3.663 526 HA ILE 90 HA ILE 90 -0.993 12.802 3.483 527 HB ILE 90 HB ILE 90 1.530 12.323 1.882 528 HG13 ILE 90 2HG1 ILE 90 0.317 12.930 -0.031 529 HG21 ILE 90 1HG2 ILE 90 0.286 10.421 0.768 530 HG22 ILE 90 2HG2 ILE 90 0.854 10.101 2.405 531 HG23 ILE 90 3HG2 ILE 90 -0.865 10.467 2.121 532 HD11 ILE 90 3HD1 ILE 90 -1.740 11.662 0.114 533 HD12 ILE 90 1HD1 ILE 90 -2.284 12.633 1.517 534 HD13 ILE 90 2HD1 ILE 90 -2.105 13.377 -0.076 535 H THR 91 H THR 91 -1.269 10.971 4.615 536 HA THR 91 HA THR 91 1.027 9.795 6.104 537 HB THR 91 HB THR 91 -1.851 10.227 7.003 538 HG1 THR 91 1HG THR 91 -0.824 12.089 7.195 539 HG21 THR 91 3HG2 THR 91 -0.842 8.140 7.955 540 HG22 THR 91 1HG2 THR 91 -1.128 9.396 9.174 541 HG23 THR 91 2HG2 THR 91 0.514 9.129 8.557 542 H VAL 92 H VAL 92 1.236 7.598 5.741 543 HA VAL 92 HA VAL 92 -0.874 6.122 4.301 544 HB VAL 92 HB VAL 92 1.317 5.245 3.007 545 HG11 VAL 92 1HG1 VAL 92 -0.392 7.621 2.219 546 HG12 VAL 92 2HG1 VAL 92 0.621 6.646 1.103 547 HG13 VAL 92 3HG1 VAL 92 -0.701 5.879 1.973 548 HG21 VAL 92 3HG2 VAL 92 1.901 8.239 3.103 549 HG22 VAL 92 1HG2 VAL 92 2.791 7.031 4.011 550 HG23 VAL 92 2HG2 VAL 92 2.802 6.983 2.240 551 H ILE 93 H ILE 93 -1.094 4.040 4.958 552 HA ILE 93 HA ILE 93 0.849 2.965 6.909 553 HB ILE 93 HB ILE 93 -2.113 2.961 7.444 554 HG13 ILE 93 2HG1 ILE 93 -1.592 5.390 7.109 555 HG21 ILE 93 1HG2 ILE 93 -1.366 2.763 9.804 556 HG22 ILE 93 2HG2 ILE 93 -0.648 1.521 8.799 557 HG23 ILE 93 3HG2 ILE 93 0.312 2.929 9.273 558 HD11 ILE 93 3HD1 ILE 93 -3.356 4.741 8.710 559 HD12 ILE 93 1HD1 ILE 93 -2.153 4.816 10.012 560 HD13 ILE 93 2HD1 ILE 93 -2.539 6.268 9.087 561 H GLY 94 H GLY 94 0.580 0.634 7.217 562 HA2 GLY 94 1HA GLY 94 -1.372 -0.789 5.525 563 HA3 GLY 94 2HA GLY 94 0.348 -1.112 5.232 564 H TYR 95 H TYR 95 -1.743 -2.933 6.179 565 HA TYR 95 HA TYR 95 -0.882 -3.648 8.932 566 HB3 TYR 95 2HB TYR 95 -3.314 -4.209 9.264 567 HD1 TYR 95 1HD TYR 95 -3.263 -0.973 7.345 568 HD2 TYR 95 2HD TYR 95 -3.253 -2.887 11.211 569 HE1 TYR 95 1HE TYR 95 -3.452 1.242 8.457 570 HE2 TYR 95 2HE TYR 95 -3.404 -0.686 12.314 571 HH TYR 95 HH TYR 95 -2.996 1.724 11.855 572 H ILE 96 H ILE 96 -1.275 -5.872 9.496 573 HA ILE 96 HA ILE 96 -1.876 -7.836 7.398 574 HB ILE 96 HB ILE 96 0.706 -7.726 9.003 575 HG13 ILE 96 2HG1 ILE 96 0.829 -6.415 6.990 576 HG21 ILE 96 1HG2 ILE 96 -0.421 -10.124 8.745 577 HG22 ILE 96 2HG2 ILE 96 0.274 -10.035 7.126 578 HG23 ILE 96 3HG2 ILE 96 1.302 -9.874 8.555 579 HD11 ILE 96 3HD1 ILE 96 2.645 -7.297 5.835 580 HD12 ILE 96 1HD1 ILE 96 2.790 -8.074 7.415 581 HD13 ILE 96 2HD1 ILE 96 2.107 -8.962 6.023 582 H ASP 97 H ASP 97 -2.957 -9.509 8.308 583 HA ASP 97 HA ASP 97 -4.391 -10.588 9.552 584 HB3 ASP 97 2HB ASP 97 -3.731 -11.264 11.877 585 H ASP 98 H ASP 98 -3.269 -8.640 12.259 586 HA ASP 98 HA ASP 98 -5.486 -6.783 12.113 587 HB3 ASP 98 2HB ASP 98 -5.361 -8.572 14.574 588 H LYS 99 H LYS 99 -2.618 -6.553 11.956 589 HA LYS 99 HA LYS 99 -2.326 -4.537 14.027 590 HB3 LYS 99 2HB LYS 99 0.309 -5.517 13.767 591 HG3 LYS 99 2HG LYS 99 -1.629 -6.131 16.013 592 HD3 LYS 99 2HD LYS 99 0.707 -7.023 16.334 593 HE3 LYS 99 2HE LYS 99 1.345 -4.069 15.942 594 HZ1 LYS 99 3HZ LYS 99 2.877 -6.025 17.536 595 HZ2 LYS 99 1HZ LYS 99 2.387 -4.534 17.991 596 HZ3 LYS 99 2HZ LYS 99 3.570 -4.731 16.841 597 H GLU 100 H GLU 100 -0.897 -2.874 13.466 598 HA GLU 100 HA GLU 100 -0.525 -2.203 10.694 599 HB3 GLU 100 2HB GLU 100 0.907 -1.208 13.194 600 HG3 GLU 100 2HG GLU 100 0.190 0.423 10.735 601 H VAL 101 H VAL 101 1.391 -2.378 9.450 602 HA VAL 101 HA VAL 101 3.822 -3.454 10.746 603 HB VAL 101 HB VAL 101 4.365 -4.870 8.864 604 HG11 VAL 101 1HG1 VAL 101 3.113 -5.818 10.796 605 HG12 VAL 101 2HG1 VAL 101 1.598 -5.616 9.882 606 HG13 VAL 101 3HG1 VAL 101 2.874 -6.705 9.291 607 HG21 VAL 101 3HG2 VAL 101 2.836 -5.390 7.076 608 HG22 VAL 101 1HG2 VAL 101 1.588 -4.293 7.732 609 HG23 VAL 101 2HG2 VAL 101 3.119 -3.671 7.067 610 H ASN 102 H ASN 102 2.341 -1.139 8.517 611 HA ASN 102 HA ASN 102 5.069 -0.190 7.820 612 HB3 ASN 102 2HB ASN 102 2.808 -0.207 5.802 613 HD21 ASN 102 1HD2 ASN 102 5.726 -1.494 4.761 614 HD22 ASN 102 2HD2 ASN 102 6.512 -0.064 4.138 615 H ARG 103 H ARG 103 5.226 2.032 7.949 616 HA ARG 103 HA ARG 103 2.939 3.725 7.483 617 HB3 ARG 103 2HB ARG 103 2.450 3.589 9.831 618 HG3 ARG 103 2HG ARG 103 5.359 3.230 10.217 619 HD3 ARG 103 2HD ARG 103 5.276 5.358 11.320 620 HE ARG 103 HE ARG 103 3.301 5.990 12.159 621 HH11 ARG 103 1HH1 ARG 103 3.882 2.790 13.520 622 HH12 ARG 103 2HH1 ARG 103 2.384 2.746 14.243 623 HH21 ARG 103 1HH2 ARG 103 1.563 6.077 13.666 624 HH22 ARG 103 2HH2 ARG 103 1.284 4.806 14.809 625 H LEU 104 H LEU 104 3.474 5.517 6.520 626 HA LEU 104 HA LEU 104 5.844 6.819 7.545 627 HB3 LEU 104 2HB LEU 104 6.735 5.617 5.625 628 HG LEU 104 HG LEU 104 4.595 5.959 4.170 629 HD11 LEU 104 1HD1 LEU 104 5.054 7.741 2.385 630 HD12 LEU 104 2HD1 LEU 104 6.327 8.390 3.422 631 HD13 LEU 104 3HD1 LEU 104 4.647 8.446 3.954 632 HD21 LEU 104 3HD2 LEU 104 5.960 5.530 2.161 633 HD22 LEU 104 1HD2 LEU 104 6.502 4.610 3.569 634 HD23 LEU 104 2HD2 LEU 104 7.415 6.033 3.049 635 H GLU 105 H GLU 105 5.942 9.121 6.761 636 HA GLU 105 HA GLU 105 3.331 10.257 5.952 637 HB3 GLU 105 2HB GLU 105 3.780 12.164 7.459 638 HG3 GLU 105 2HG GLU 105 3.899 9.531 8.991 639 H LYS 106 H LYS 106 3.661 12.259 4.753 640 HA LYS 106 HA LYS 106 6.396 13.026 4.207 641 HB3 LYS 106 2HB LYS 106 4.715 12.601 1.754 642 HG3 LYS 106 2HG LYS 106 7.497 13.234 2.387 643 HD3 LYS 106 2HD LYS 106 7.754 10.735 2.329 644 HE3 LYS 106 2HE LYS 106 6.061 10.895 0.141 645 HZ1 LYS 106 3HZ LYS 106 7.391 10.241 -1.753 646 HZ2 LYS 106 1HZ LYS 106 8.762 10.209 -0.895 647 HZ3 LYS 106 2HZ LYS 106 8.024 11.638 -1.261 648 H GLU 107 H GLU 107 6.333 15.106 2.824 649 HA GLU 107 HA GLU 107 3.830 16.565 3.024 650 HB3 GLU 107 2HB GLU 107 6.189 17.595 4.595 651 HG3 GLU 107 2HG GLU 107 3.243 18.323 4.493 652 H TYR 108 H TYR 108 3.850 18.507 1.829 653 HA TYR 108 HA TYR 108 6.244 19.073 0.217 654 HB3 TYR 108 2HB TYR 108 4.980 18.658 -1.810 655 HD1 TYR 108 2HD TYR 108 6.564 16.728 -1.672 656 HD2 TYR 108 1HD TYR 108 2.618 16.600 0.012 657 HE1 TYR 108 2HE TYR 108 6.636 14.214 -1.646 658 HE2 TYR 108 1HE TYR 108 2.664 14.114 0.006 659 HH TYR 108 HH TYR 108 3.845 12.228 -0.718 660 H ILE 109 H ILE 109 6.355 21.247 -0.454 661 HA ILE 109 HA ILE 109 3.983 22.979 0.016 662 HB ILE 109 HB ILE 109 6.881 23.432 0.716 663 HG13 ILE 109 2HG1 ILE 109 5.569 22.196 2.374 664 HG21 ILE 109 1HG2 ILE 109 6.361 25.730 1.315 665 HG22 ILE 109 2HG2 ILE 109 6.022 25.484 -0.373 666 HG23 ILE 109 3HG2 ILE 109 4.668 25.517 0.774 667 HD11 ILE 109 3HD1 ILE 109 7.267 23.839 3.219 668 HD12 ILE 109 1HD1 ILE 109 5.934 25.003 3.449 669 HD13 ILE 109 2HD1 ILE 109 5.936 23.474 4.335 670 H THR 110 H THR 110 3.536 24.337 -1.599 671 HA THR 110 HA THR 110 4.729 24.005 -4.242 672 HB THR 110 HB THR 110 2.862 25.931 -4.527 673 HG1 THR 110 1HG THR 110 1.789 24.514 -2.378 674 HG21 THR 110 3HG2 THR 110 1.107 24.218 -4.821 675 HG22 THR 110 1HG2 THR 110 2.115 23.017 -3.970 676 HG23 THR 110 2HG2 THR 110 2.639 23.698 -5.526 677 H ASP 111 H ASP 111 6.007 25.564 -5.221 678 HA ASP 111 HA ASP 111 6.403 28.142 -3.817 679 HB3 ASP 111 2HB ASP 111 8.934 26.758 -4.595 680 H GLY 112 H GLY 112 5.054 27.421 -6.283 681 HA2 GLY 112 1HA GLY 112 4.745 28.675 -8.195 682 HA3 GLY 112 2HA GLY 112 6.350 29.373 -8.023 683 H ASN 113 H ASN 113 6.842 26.170 -7.633 684 HA ASN 113 HA ASN 113 7.751 25.568 -10.332 685 HB3 ASN 113 2HB ASN 113 8.537 23.505 -9.308 686 HD21 ASN 113 1HD2 ASN 113 9.079 24.297 -6.184 687 HD22 ASN 113 2HD2 ASN 113 10.513 25.274 -6.459 688 H THR 114 H THR 114 6.950 22.729 -10.190 689 HA THR 114 HA THR 114 3.965 22.785 -10.132 690 HB THR 114 HB THR 114 5.620 20.971 -11.903 691 HG1 THR 114 1HG THR 114 4.371 23.423 -12.629 692 HG21 THR 114 3HG2 THR 114 3.456 20.693 -13.057 693 HG22 THR 114 1HG2 THR 114 2.686 21.839 -11.938 694 HG23 THR 114 2HG2 THR 114 3.299 20.281 -11.346 695 H LEU 115 H LEU 115 3.387 21.779 -8.319 696 HA LEU 115 HA LEU 115 5.186 20.195 -6.721 697 HB3 LEU 115 2HB LEU 115 2.203 20.178 -6.642 698 HG LEU 115 HG LEU 115 2.355 20.388 -4.231 699 HD11 LEU 115 1HD1 LEU 115 2.185 18.144 -5.311 700 HD12 LEU 115 2HD1 LEU 115 2.877 18.148 -3.687 701 HD13 LEU 115 3HD1 LEU 115 3.945 17.942 -5.086 702 HD21 LEU 115 3HD2 LEU 115 5.306 19.778 -4.281 703 HD22 LEU 115 1HD2 LEU 115 4.271 20.367 -2.961 704 HD23 LEU 115 2HD2 LEU 115 4.680 21.452 -4.285 705 H ILE 116 H ILE 116 5.733 18.133 -7.099 706 HA ILE 116 HA ILE 116 3.788 16.215 -7.998 707 HB ILE 116 HB ILE 116 6.419 16.513 -9.539 708 HG13 ILE 116 2HG1 ILE 116 4.841 18.192 -10.224 709 HG21 ILE 116 1HG2 ILE 116 5.468 14.597 -10.878 710 HG22 ILE 116 2HG2 ILE 116 5.784 14.151 -9.226 711 HG23 ILE 116 3HG2 ILE 116 4.122 14.504 -9.742 712 HD11 ILE 116 3HD1 ILE 116 4.665 16.083 -12.351 713 HD12 ILE 116 1HD1 ILE 116 4.642 17.840 -12.549 714 HD13 ILE 116 2HD1 ILE 116 6.139 17.042 -12.040 715 H GLU 117 H GLU 117 4.409 14.264 -7.150 716 HA GLU 117 HA GLU 117 7.031 13.640 -6.281 717 HB3 GLU 117 2HB GLU 117 5.704 13.489 -3.735 718 HG3 GLU 117 2HG GLU 117 7.641 15.208 -3.245 719 H THR 118 H THR 118 7.034 11.471 -5.085 720 HA THR 118 HA THR 118 4.614 9.809 -5.640 721 HB THR 118 HB THR 118 6.321 8.073 -6.390 722 HG1 THR 118 1HG THR 118 8.256 8.713 -7.043 723 HG21 THR 118 3HG2 THR 118 5.749 10.410 -8.237 724 HG22 THR 118 1HG2 THR 118 4.738 8.975 -7.952 725 HG23 THR 118 2HG2 THR 118 6.307 8.799 -8.738 726 H PHE 119 H PHE 119 4.703 7.809 -4.476 727 HA PHE 119 HA PHE 119 6.588 7.524 -2.239 728 HB3 PHE 119 2HB PHE 119 4.950 9.028 -1.229 729 HD1 PHE 119 2HD PHE 119 2.824 5.949 -1.159 730 HD2 PHE 119 1HD PHE 119 3.152 10.039 -2.506 731 HE1 PHE 119 2HE PHE 119 0.452 5.921 -1.823 732 HE2 PHE 119 1HE PHE 119 0.743 10.008 -3.143 733 HZ PHE 119 HZ PHE 119 -0.605 7.953 -2.800 734 H SER 120 H SER 120 5.857 5.387 -0.955 735 HA SER 120 HA SER 120 3.972 3.714 -2.357 736 HB3 SER 120 2HB SER 120 6.956 3.169 -2.557 737 HG SER 120 HG SER 120 6.351 1.216 -1.986 738 H VAL 121 H VAL 121 3.315 2.024 -1.044 739 HA VAL 121 HA VAL 121 4.681 1.369 1.477 740 HB VAL 121 HB VAL 121 1.910 2.551 1.150 741 HG11 VAL 121 1HG1 VAL 121 1.288 1.989 3.399 742 HG12 VAL 121 2HG1 VAL 121 1.510 0.490 2.475 743 HG13 VAL 121 3HG1 VAL 121 2.758 1.017 3.632 744 HG21 VAL 121 3HG2 VAL 121 2.758 3.723 3.308 745 HG22 VAL 121 1HG2 VAL 121 4.282 2.922 3.042 746 HG23 VAL 121 2HG2 VAL 121 3.679 4.098 1.844 747 H SER 122 H SER 122 5.213 -0.659 1.082 748 HA SER 122 HA SER 122 3.205 -2.501 -0.083 749 HB3 SER 122 2HB SER 122 4.609 -3.205 -1.628 750 HG SER 122 HG SER 122 6.882 -1.822 -0.775 751 H THR 123 H THR 123 2.532 -3.932 1.400 752 HA THR 123 HA THR 123 3.970 -4.161 3.944 753 HB THR 123 HB THR 123 1.868 -5.432 4.547 754 HG1 THR 123 1HG THR 123 1.466 -6.111 2.419 755 HG21 THR 123 3HG2 THR 123 1.338 -2.721 3.271 756 HG22 THR 123 1HG2 THR 123 1.957 -2.997 4.918 757 HG23 THR 123 2HG2 THR 123 0.331 -3.564 4.473 758 H LYS 124 H LYS 124 5.416 -5.441 1.669 759 HA LYS 124 HA LYS 124 6.189 -7.662 3.049 760 HB3 LYS 124 2HB LYS 124 5.358 -8.852 0.471 761 HG3 LYS 124 2HG LYS 124 6.414 -9.954 2.565 762 HD3 LYS 124 2HD LYS 124 3.443 -9.870 3.289 763 HE3 LYS 124 2HE LYS 124 4.370 -12.195 3.437 764 HZ1 LYS 124 3HZ LYS 124 5.859 -12.569 5.348 765 HZ2 LYS 124 1HZ LYS 124 6.085 -10.934 5.491 766 HZ3 LYS 124 2HZ LYS 124 6.594 -11.753 4.141 767 H GLU 125 H GLU 125 8.345 -7.369 2.640 768 HA GLU 125 HA GLU 125 9.232 -7.029 -0.151 769 HB3 GLU 125 2HB GLU 125 9.095 -4.776 0.873 770 HG3 GLU 125 2HG GLU 125 11.471 -5.644 2.574 771 H ILE 126 H ILE 126 11.937 -6.862 0.504 772 HA ILE 126 HA ILE 126 12.622 -9.633 0.994 773 HB ILE 126 HB ILE 126 14.983 -8.741 0.967 774 HG13 ILE 126 2HG1 ILE 126 13.711 -6.080 0.197 775 HG21 ILE 126 1HG2 ILE 126 13.311 -7.932 -1.443 776 HG22 ILE 126 2HG2 ILE 126 15.018 -8.416 -1.410 777 HG23 ILE 126 3HG2 ILE 126 13.768 -9.601 -1.017 778 HD11 ILE 126 3HD1 ILE 126 13.815 -6.072 2.607 779 HD12 ILE 126 1HD1 ILE 126 15.431 -6.816 2.588 780 HD13 ILE 126 2HD1 ILE 126 15.204 -5.164 2.000 Start of MODEL 8 1 H1 GLY 1 H GLY 1 9.012 -14.840 21.209 2 HA2 GLY 1 1HA GLY 1 11.155 -15.981 20.880 3 HA3 GLY 1 2HA GLY 1 10.408 -16.828 19.512 4 H ALA 2 H ALA 2 11.118 -16.016 17.605 5 HA ALA 2 HA ALA 2 11.060 -13.129 17.105 6 HB1 ALA 2 1HB ALA 2 13.381 -13.437 17.852 7 HB2 ALA 2 2HB ALA 2 13.591 -14.803 16.735 8 HB3 ALA 2 3HB ALA 2 13.337 -13.163 16.099 9 H SER 3 H SER 3 9.345 -13.508 15.638 10 HA SER 3 HA SER 3 9.894 -14.972 13.183 11 HB3 SER 3 2HB SER 3 9.325 -16.883 14.405 12 HG SER 3 HG SER 3 7.963 -16.996 16.007 13 H ASP 4 H ASP 4 8.706 -14.005 11.553 14 HA ASP 4 HA ASP 4 6.760 -11.873 12.319 15 HB3 ASP 4 2HB ASP 4 8.247 -10.342 10.894 16 H PHE 5 H PHE 5 6.556 -14.489 10.734 17 HA PHE 5 HA PHE 5 5.707 -13.282 8.154 18 HB3 PHE 5 2HB PHE 5 6.297 -15.316 7.050 19 HD1 PHE 5 1HD PHE 5 7.589 -13.596 5.894 20 HD2 PHE 5 2HD PHE 5 8.989 -15.243 9.611 21 HE1 PHE 5 1HE PHE 5 9.844 -12.613 5.492 22 HE2 PHE 5 2HE PHE 5 11.231 -14.249 9.210 23 HZ PHE 5 HZ PHE 5 11.656 -12.931 7.143 24 H GLN 6 H GLN 6 3.664 -12.875 8.731 25 HA GLN 6 HA GLN 6 1.858 -15.194 8.628 26 HB3 GLN 6 2HB GLN 6 0.406 -13.638 10.086 27 HG3 GLN 6 2HG GLN 6 2.319 -15.030 11.890 28 HE21 GLN 6 1HE2 GLN 6 -1.152 -14.998 10.634 29 HE22 GLN 6 2HE2 GLN 6 -1.885 -14.974 12.171 30 H THR 7 H THR 7 1.333 -14.763 6.499 31 HA THR 7 HA THR 7 0.342 -12.154 5.585 32 HB THR 7 HB THR 7 -0.493 -13.807 3.695 33 HG1 THR 7 1HG THR 7 0.036 -15.742 3.828 34 HG21 THR 7 3HG2 THR 7 1.943 -13.969 2.858 35 HG22 THR 7 1HG2 THR 7 2.297 -12.919 4.248 36 HG23 THR 7 2HG2 THR 7 1.089 -12.413 3.025 37 H GLY 8 H GLY 8 -1.961 -12.275 4.507 38 HA2 GLY 8 1HA GLY 8 -3.586 -14.300 4.493 39 HA3 GLY 8 2HA GLY 8 -3.933 -13.758 6.146 40 H ILE 9 H ILE 9 -4.811 -11.693 6.465 41 HA ILE 9 HA ILE 9 -6.131 -10.396 4.129 42 HB ILE 9 HB ILE 9 -6.889 -10.424 7.077 43 HG13 ILE 9 2HG1 ILE 9 -8.044 -11.642 4.536 44 HG21 ILE 9 1HG2 ILE 9 -8.789 -8.964 6.396 45 HG22 ILE 9 2HG2 ILE 9 -7.237 -8.153 6.220 46 HG23 ILE 9 3HG2 ILE 9 -8.071 -8.784 4.789 47 HD11 ILE 9 3HD1 ILE 9 -8.685 -13.492 6.079 48 HD12 ILE 9 1HD1 ILE 9 -6.939 -13.241 6.089 49 HD13 ILE 9 2HD1 ILE 9 -7.933 -12.631 7.428 50 H HIS 10 H HIS 10 -5.442 -8.361 3.644 51 HA HIS 10 HA HIS 10 -3.631 -6.960 5.530 52 HB3 HIS 10 2HB HIS 10 -2.278 -6.224 3.655 53 HD1 HIS 10 1HD HIS 10 -0.037 -7.354 3.786 54 HD2 HIS 10 2HD HIS 10 -3.180 -10.069 3.286 55 HE1 HIS 10 1HE HIS 10 1.043 -9.665 3.555 56 H LYS 11 H LYS 11 -3.697 -4.582 5.151 57 HA LYS 11 HA LYS 11 -5.980 -3.528 3.639 58 HB3 LYS 11 2HB LYS 11 -5.800 -3.284 6.689 59 HG3 LYS 11 2HG LYS 11 -7.961 -2.356 4.776 60 HD3 LYS 11 2HD LYS 11 -7.930 -1.720 7.720 61 HE3 LYS 11 2HE LYS 11 -10.197 -2.250 5.734 62 HZ1 LYS 11 3HZ LYS 11 -10.355 -0.546 8.103 63 HZ2 LYS 11 1HZ LYS 11 -10.625 -2.169 8.235 64 HZ3 LYS 11 2HZ LYS 11 -11.570 -1.268 7.246 65 H ILE 12 H ILE 12 -5.821 -1.271 3.370 66 HA ILE 12 HA ILE 12 -3.289 0.069 4.230 67 HB ILE 12 HB ILE 12 -4.429 -0.289 1.431 68 HG13 ILE 12 2HG1 ILE 12 -2.356 -1.149 0.744 69 HG21 ILE 12 1HG2 ILE 12 -4.021 2.063 1.528 70 HG22 ILE 12 2HG2 ILE 12 -2.500 1.844 2.383 71 HG23 ILE 12 3HG2 ILE 12 -2.653 1.338 0.693 72 HD11 ILE 12 3HD1 ILE 12 -0.754 0.346 1.939 73 HD12 ILE 12 1HD1 ILE 12 -1.096 -0.553 3.438 74 HD13 ILE 12 2HD1 ILE 12 -0.345 -1.352 2.040 75 H VAL 13 H VAL 13 -3.704 2.189 4.875 76 HA VAL 13 HA VAL 13 -6.402 3.341 4.389 77 HB VAL 13 HB VAL 13 -4.921 3.309 7.058 78 HG11 VAL 13 1HG1 VAL 13 -7.037 4.050 8.012 79 HG12 VAL 13 2HG1 VAL 13 -6.587 5.147 6.702 80 HG13 VAL 13 3HG1 VAL 13 -7.846 3.926 6.446 81 HG21 VAL 13 3HG2 VAL 13 -6.586 1.677 7.882 82 HG22 VAL 13 1HG2 VAL 13 -7.183 1.449 6.218 83 HG23 VAL 13 2HG2 VAL 13 -5.530 0.981 6.672 84 H ILE 14 H ILE 14 -6.229 5.622 3.882 85 HA ILE 14 HA ILE 14 -3.449 6.728 3.972 86 HB ILE 14 HB ILE 14 -5.348 6.808 1.608 87 HG13 ILE 14 2HG1 ILE 14 -4.525 4.428 2.032 88 HG21 ILE 14 1HG2 ILE 14 -2.412 7.578 1.924 89 HG22 ILE 14 2HG2 ILE 14 -3.265 7.553 0.366 90 HG23 ILE 14 3HG2 ILE 14 -3.781 8.666 1.622 91 HD11 ILE 14 3HD1 ILE 14 -5.190 5.287 -0.224 92 HD12 ILE 14 1HD1 ILE 14 -3.448 5.521 -0.555 93 HD13 ILE 14 2HD1 ILE 14 -4.097 3.912 -0.181 94 H GLN 15 H GLN 15 -3.384 8.994 4.210 95 HA GLN 15 HA GLN 15 -6.009 10.471 4.462 96 HB3 GLN 15 2HB GLN 15 -5.087 11.600 6.316 97 HG3 GLN 15 2HG GLN 15 -4.803 8.725 7.126 98 HE21 GLN 15 1HE2 GLN 15 -4.319 9.477 9.238 99 HE22 GLN 15 2HE2 GLN 15 -5.362 10.688 10.014 100 H GLN 16 H GLN 16 -5.726 12.724 4.179 101 HA GLN 16 HA GLN 16 -3.188 13.921 3.419 102 HB3 GLN 16 2HB GLN 16 -3.985 13.360 1.322 103 HG3 GLN 16 2HG GLN 16 -6.766 14.397 1.922 104 HE21 GLN 16 1HE2 GLN 16 -7.988 14.771 -0.180 105 HE22 GLN 16 2HE2 GLN 16 -7.236 14.274 -1.695 106 H SER 17 H SER 17 -3.060 16.066 4.070 107 HA SER 17 HA SER 17 -5.437 17.523 4.949 108 HB3 SER 17 2HB SER 17 -3.009 17.300 6.767 109 HG SER 17 HG SER 17 -4.475 18.183 8.274 110 H GLY 18 H GLY 18 -4.624 19.864 5.424 111 HA2 GLY 18 1HA GLY 18 -3.314 21.715 4.740 112 HA3 GLY 18 2HA GLY 18 -2.408 20.683 3.616 113 H ASP 19 H ASP 19 -2.855 21.977 1.830 114 HA ASP 19 HA ASP 19 -5.512 23.017 1.175 115 HB3 ASP 19 2HB ASP 19 -4.189 23.951 -0.826 116 H THR 20 H THR 20 -5.351 20.193 1.234 117 HA THR 20 HA THR 20 -4.778 18.963 -1.249 118 HB THR 20 HB THR 20 -4.673 17.966 1.013 119 HG1 THR 20 1HG THR 20 -6.095 16.664 -1.020 120 HG21 THR 20 3HG2 THR 20 -7.666 17.660 0.820 121 HG22 THR 20 1HG2 THR 20 -6.785 18.716 1.954 122 HG23 THR 20 2HG2 THR 20 -6.572 16.962 2.047 123 H ASP 21 H ASP 21 -7.065 21.151 -1.038 124 HA ASP 21 HA ASP 21 -9.293 20.005 -2.552 125 HB3 ASP 21 2HB ASP 21 -8.667 22.904 -2.748 126 H SER 22 H SER 22 -6.047 21.011 -3.093 127 HA SER 22 HA SER 22 -6.421 21.318 -6.023 128 HB3 SER 22 2HB SER 22 -4.694 23.115 -5.691 129 HG SER 22 HG SER 22 -6.248 24.457 -5.108 130 H PHE 23 H PHE 23 -5.435 18.848 -4.409 131 HA PHE 23 HA PHE 23 -2.868 18.507 -5.865 132 HB3 PHE 23 2HB PHE 23 -2.157 17.065 -3.931 133 HD1 PHE 23 2HD PHE 23 -3.530 20.353 -2.736 134 HD2 PHE 23 1HD PHE 23 -0.060 18.170 -4.047 135 HE1 PHE 23 2HE PHE 23 -2.095 22.235 -2.037 136 HE2 PHE 23 1HE PHE 23 1.385 20.053 -3.293 137 HZ PHE 23 HZ PHE 23 0.376 22.085 -2.301 138 H GLU 24 H GLU 24 -3.120 16.995 -7.325 139 HA GLU 24 HA GLU 24 -5.094 14.832 -7.252 140 HB3 GLU 24 2HB GLU 24 -3.673 14.040 -9.208 141 HG3 GLU 24 2HG GLU 24 -4.094 16.038 -10.739 142 H VAL 25 H VAL 25 -4.741 12.998 -6.047 143 HA VAL 25 HA VAL 25 -1.973 12.009 -5.657 144 HB VAL 25 HB VAL 25 -4.146 11.875 -3.523 145 HG11 VAL 25 1HG1 VAL 25 -2.421 10.078 -3.473 146 HG12 VAL 25 2HG1 VAL 25 -1.159 11.323 -3.359 147 HG13 VAL 25 3HG1 VAL 25 -2.347 11.128 -2.048 148 HG21 VAL 25 3HG2 VAL 25 -3.542 14.209 -3.628 149 HG22 VAL 25 1HG2 VAL 25 -2.935 13.448 -2.164 150 HG23 VAL 25 2HG2 VAL 25 -1.814 13.787 -3.516 151 H SER 26 H SER 26 -2.091 10.108 -7.021 152 HA SER 26 HA SER 26 -4.503 8.446 -6.565 153 HB3 SER 26 2HB SER 26 -4.645 9.273 -8.806 154 HG SER 26 HG SER 26 -2.929 8.274 -10.221 155 H VAL 27 H VAL 27 -4.234 6.382 -6.173 156 HA VAL 27 HA VAL 27 -1.444 5.330 -5.958 157 HB VAL 27 HB VAL 27 -2.286 3.988 -4.038 158 HG11 VAL 27 1HG1 VAL 27 -2.004 5.764 -2.398 159 HG12 VAL 27 2HG1 VAL 27 -0.924 6.026 -3.774 160 HG13 VAL 27 3HG1 VAL 27 -2.395 7.005 -3.615 161 HG21 VAL 27 3HG2 VAL 27 -4.769 4.268 -4.426 162 HG22 VAL 27 1HG2 VAL 27 -4.251 4.638 -2.780 163 HG23 VAL 27 2HG2 VAL 27 -4.619 5.955 -3.910 164 H SER 28 H SER 28 -1.049 3.350 -6.707 165 HA SER 28 HA SER 28 -2.987 1.825 -8.265 166 HB3 SER 28 2HB SER 28 -0.273 1.060 -7.068 167 HG SER 28 HG SER 28 -1.239 -0.700 -8.138 168 H ILE 29 H ILE 29 -4.279 0.116 -7.348 169 HA ILE 29 HA ILE 29 -3.563 -0.772 -4.610 170 HB ILE 29 HB ILE 29 -6.284 0.055 -5.656 171 HG13 ILE 29 2HG1 ILE 29 -4.891 1.914 -4.806 172 HG21 ILE 29 1HG2 ILE 29 -5.522 -1.478 -3.131 173 HG22 ILE 29 2HG2 ILE 29 -7.122 -0.754 -3.393 174 HG23 ILE 29 3HG2 ILE 29 -6.572 -2.000 -4.480 175 HD11 ILE 29 3HD1 ILE 29 -7.030 1.309 -2.742 176 HD12 ILE 29 1HD1 ILE 29 -6.336 2.870 -3.163 177 HD13 ILE 29 2HD1 ILE 29 -7.320 2.001 -4.362 178 H GLY 30 H GLY 30 -3.259 -2.924 -4.618 179 HA2 GLY 30 1HA GLY 30 -4.577 -4.848 -6.226 180 HA3 GLY 30 2HA GLY 30 -3.070 -4.331 -6.999 181 H GLY 31 H GLY 31 -3.062 -6.895 -6.307 182 HA2 GLY 31 1HA GLY 31 -0.816 -7.229 -4.698 183 HA3 GLY 31 2HA GLY 31 -2.250 -7.648 -3.728 184 H ALA 32 H ALA 32 -0.641 -9.773 -4.250 185 HA ALA 32 HA ALA 32 -2.054 -11.292 -6.379 186 HB1 ALA 32 1HB ALA 32 0.024 -12.329 -7.043 187 HB2 ALA 32 2HB ALA 32 0.258 -10.567 -7.161 188 HB3 ALA 32 3HB ALA 32 0.914 -11.495 -5.778 189 H ASP 33 H ASP 33 -1.913 -13.627 -6.019 190 HA ASP 33 HA ASP 33 -1.383 -14.412 -3.206 191 HB3 ASP 33 2HB ASP 33 -3.897 -13.939 -3.924 192 H LYS 34 H LYS 34 -2.227 -16.987 -3.354 193 HA LYS 34 HA LYS 34 -0.128 -18.271 -4.891 194 HB3 LYS 34 2HB LYS 34 -2.203 -19.525 -3.035 195 HG3 LYS 34 2HG LYS 34 0.348 -20.380 -4.413 196 HD3 LYS 34 2HD LYS 34 -0.796 -21.568 -1.833 197 HE3 LYS 34 2HE LYS 34 1.534 -22.480 -3.559 198 HZ1 LYS 34 3HZ LYS 34 0.460 -23.715 -1.091 199 HZ2 LYS 34 1HZ LYS 34 1.842 -22.795 -1.166 200 HZ3 LYS 34 2HZ LYS 34 1.741 -24.212 -1.990 201 H GLY 35 H GLY 35 -1.354 -17.260 -6.814 202 HA2 GLY 35 1HA GLY 35 -2.001 -19.306 -8.500 203 HA3 GLY 35 2HA GLY 35 -3.571 -18.861 -7.809 204 H GLY 36 H GLY 36 -2.975 -16.077 -7.513 205 HA2 GLY 36 1HA GLY 36 -2.788 -15.002 -10.277 206 HA3 GLY 36 2HA GLY 36 -4.407 -15.370 -9.677 207 HA PRO 37 HA PRO 37 -3.565 -11.036 -8.341 208 HB3 PRO 37 2HB PRO 37 -4.256 -10.348 -10.464 209 HG3 PRO 37 2HG PRO 37 -5.993 -11.404 -11.641 210 HD3 PRO 37 2HD PRO 37 -4.544 -13.194 -11.256 211 H ALA 38 H ALA 38 -4.387 -10.122 -6.522 212 HA ALA 38 HA ALA 38 -6.270 -11.694 -4.905 213 HB1 ALA 38 1HB ALA 38 -4.563 -9.222 -4.345 214 HB2 ALA 38 2HB ALA 38 -5.524 -10.068 -3.139 215 HB3 ALA 38 3HB ALA 38 -4.168 -10.909 -3.917 216 H LYS 39 H LYS 39 -8.512 -11.210 -4.976 217 HA LYS 39 HA LYS 39 -9.573 -8.737 -5.962 218 HB3 LYS 39 2HB LYS 39 -11.658 -9.520 -4.678 219 HG3 LYS 39 2HG LYS 39 -11.869 -11.642 -6.126 220 HD3 LYS 39 2HD LYS 39 -11.215 -9.086 -7.639 221 HE3 LYS 39 2HE LYS 39 -11.709 -11.198 -8.949 222 HZ1 LYS 39 3HZ LYS 39 -13.719 -11.597 -7.201 223 HZ2 LYS 39 1HZ LYS 39 -13.660 -12.250 -8.726 224 HZ3 LYS 39 2HZ LYS 39 -14.560 -10.924 -8.396 225 H LEU 40 H LEU 40 -9.479 -6.835 -5.136 226 HA LEU 40 HA LEU 40 -9.048 -6.415 -2.260 227 HB3 LEU 40 2HB LEU 40 -8.599 -4.134 -2.780 228 HG LEU 40 HG LEU 40 -6.747 -4.030 -4.082 229 HD11 LEU 40 1HD1 LEU 40 -6.447 -5.653 -2.274 230 HD12 LEU 40 2HD1 LEU 40 -5.330 -5.885 -3.634 231 HD13 LEU 40 3HD1 LEU 40 -6.719 -6.965 -3.450 232 HD21 LEU 40 3HD2 LEU 40 -6.900 -4.376 -6.215 233 HD22 LEU 40 1HD2 LEU 40 -8.168 -5.570 -6.025 234 HD23 LEU 40 2HD2 LEU 40 -6.469 -6.069 -5.900 235 H TYR 41 H TYR 41 -10.412 -4.797 -1.230 236 HA TYR 41 HA TYR 41 -13.209 -4.739 -2.230 237 HB3 TYR 41 2HB TYR 41 -13.900 -5.073 0.148 238 HD1 TYR 41 1HD TYR 41 -11.117 -7.457 -0.932 239 HD2 TYR 41 2HD TYR 41 -15.322 -6.843 -0.269 240 HE1 TYR 41 1HE TYR 41 -11.585 -9.691 -1.837 241 HE2 TYR 41 2HE TYR 41 -15.800 -9.109 -1.133 242 HH TYR 41 HH TYR 41 -13.247 -11.360 -2.176 243 H ASN 42 H ASN 42 -14.403 -3.039 -1.697 244 HA ASN 42 HA ASN 42 -12.953 -0.535 -1.044 245 HB3 ASN 42 2HB ASN 42 -14.559 -0.438 -2.912 246 HD21 ASN 42 1HD2 ASN 42 -16.053 -2.533 -0.774 247 HD22 ASN 42 2HD2 ASN 42 -17.690 -2.251 -1.353 248 H ASP 43 H ASP 43 -13.966 0.938 0.439 249 HA ASP 43 HA ASP 43 -14.230 -0.238 3.023 250 HB3 ASP 43 2HB ASP 43 -14.799 2.641 2.480 251 H LYS 44 H LYS 44 -16.506 -0.673 1.046 252 HA LYS 44 HA LYS 44 -18.774 -0.125 2.917 253 HB3 LYS 44 2HB LYS 44 -20.188 -0.940 0.975 254 HG3 LYS 44 2HG LYS 44 -19.788 1.115 -0.472 255 HD3 LYS 44 2HD LYS 44 -20.116 2.085 2.357 256 HE3 LYS 44 2HE LYS 44 -20.764 3.610 0.541 257 HZ1 LYS 44 3HZ LYS 44 -22.788 2.955 -0.780 258 HZ2 LYS 44 1HZ LYS 44 -22.536 1.397 -0.319 259 HZ3 LYS 44 2HZ LYS 44 -21.415 2.203 -1.222 260 H GLY 45 H GLY 45 -16.409 -2.440 2.018 261 HA2 GLY 45 1HA GLY 45 -16.134 -4.483 3.074 262 HA3 GLY 45 2HA GLY 45 -17.872 -4.638 3.333 263 H GLU 46 H GLU 46 -17.531 -3.671 0.177 264 HA GLU 46 HA GLU 46 -17.928 -6.479 -0.767 265 HB3 GLU 46 2HB GLU 46 -19.237 -5.402 -2.613 266 HG3 GLU 46 2HG GLU 46 -20.696 -4.183 -0.413 267 H TYR 47 H TYR 47 -17.195 -6.898 -3.096 268 HA TYR 47 HA TYR 47 -14.428 -6.049 -3.210 269 HB3 TYR 47 2HB TYR 47 -15.425 -8.376 -3.785 270 HD1 TYR 47 1HD TYR 47 -17.717 -8.267 -4.964 271 HD2 TYR 47 2HD TYR 47 -14.005 -7.440 -6.980 272 HE1 TYR 47 1HE TYR 47 -18.790 -8.769 -7.138 273 HE2 TYR 47 2HE TYR 47 -15.073 -7.908 -9.164 274 HH TYR 47 HH TYR 47 -18.494 -8.919 -9.487 275 H ILE 48 H ILE 48 -13.409 -5.037 -5.067 276 HA ILE 48 HA ILE 48 -15.196 -3.713 -7.019 277 HB ILE 48 HB ILE 48 -13.794 -1.584 -6.827 278 HG13 ILE 48 2HG1 ILE 48 -12.141 -2.687 -5.160 279 HG21 ILE 48 1HG2 ILE 48 -15.377 -0.593 -5.310 280 HG22 ILE 48 2HG2 ILE 48 -16.204 -1.872 -6.190 281 HG23 ILE 48 3HG2 ILE 48 -15.674 -2.157 -4.515 282 HD11 ILE 48 3HD1 ILE 48 -11.896 -0.518 -3.868 283 HD12 ILE 48 1HD1 ILE 48 -11.946 -0.323 -5.638 284 HD13 ILE 48 2HD1 ILE 48 -13.356 0.068 -4.653 285 H GLY 49 H GLY 49 -12.622 -5.742 -6.679 286 HA2 GLY 49 1HA GLY 49 -12.217 -6.383 -9.176 287 HA3 GLY 49 2HA GLY 49 -11.305 -4.857 -9.173 288 H ASP 50 H ASP 50 -9.563 -6.679 -9.703 289 HA ASP 50 HA ASP 50 -8.222 -7.344 -7.154 290 HB3 ASP 50 2HB ASP 50 -8.985 -9.388 -7.884 291 H SER 51 H SER 51 -8.175 -5.154 -9.354 292 HA SER 51 HA SER 51 -5.508 -4.269 -9.040 293 HB3 SER 51 2HB SER 51 -5.327 -4.180 -11.725 294 HG SER 51 HG SER 51 -3.678 -5.094 -10.818 295 H TYR 52 H TYR 52 -5.974 -2.024 -8.897 296 HA TYR 52 HA TYR 52 -7.261 -0.706 -11.101 297 HB3 TYR 52 2HB TYR 52 -9.351 -1.233 -10.127 298 HD1 TYR 52 1HD TYR 52 -8.202 0.941 -7.309 299 HD2 TYR 52 2HD TYR 52 -9.735 -2.912 -8.487 300 HE1 TYR 52 1HE TYR 52 -8.771 0.472 -4.966 301 HE2 TYR 52 2HE TYR 52 -10.198 -3.454 -6.130 302 HH TYR 52 HH TYR 52 -9.558 -1.100 -3.470 303 H SER 53 H SER 53 -7.685 1.775 -10.124 304 HA SER 53 HA SER 53 -5.510 2.455 -8.249 305 HB3 SER 53 2HB SER 53 -4.804 3.249 -10.485 306 HG SER 53 HG SER 53 -6.236 5.070 -11.229 307 H ALA 54 H ALA 54 -6.045 4.323 -6.904 308 HA ALA 54 HA ALA 54 -8.844 5.248 -7.048 309 HB1 ALA 54 1HB ALA 54 -9.097 5.203 -4.622 310 HB2 ALA 54 2HB ALA 54 -8.783 3.551 -5.200 311 HB3 ALA 54 3HB ALA 54 -7.479 4.504 -4.437 312 H GLN 55 H GLN 55 -9.057 7.421 -6.610 313 HA GLN 55 HA GLN 55 -6.519 8.916 -6.224 314 HB3 GLN 55 2HB GLN 55 -9.247 9.894 -7.174 315 HG3 GLN 55 2HG GLN 55 -6.443 11.127 -7.236 316 HE21 GLN 55 1HE2 GLN 55 -6.438 11.837 -9.380 317 HE22 GLN 55 2HE2 GLN 55 -7.434 13.161 -9.878 318 H ILE 56 H ILE 56 -6.230 9.925 -4.385 319 HA ILE 56 HA ILE 56 -8.138 9.523 -2.202 320 HB ILE 56 HB ILE 56 -5.719 11.295 -2.088 321 HG13 ILE 56 2HG1 ILE 56 -4.251 9.566 -1.524 322 HG21 ILE 56 1HG2 ILE 56 -5.763 10.609 0.303 323 HG22 ILE 56 2HG2 ILE 56 -7.302 11.329 -0.187 324 HG23 ILE 56 3HG2 ILE 56 -7.187 9.584 -0.012 325 HD11 ILE 56 3HD1 ILE 56 -5.714 7.911 -0.404 326 HD12 ILE 56 1HD1 ILE 56 -6.529 7.569 -1.952 327 HD13 ILE 56 2HD1 ILE 56 -4.817 7.158 -1.735 328 H ARG 57 H ARG 57 -9.965 10.607 -2.588 329 HA ARG 57 HA ARG 57 -9.866 13.562 -2.692 330 HB3 ARG 57 2HB ARG 57 -12.013 13.493 -3.961 331 HG3 ARG 57 2HG ARG 57 -11.038 12.840 -6.209 332 HD3 ARG 57 2HD ARG 57 -8.694 14.133 -5.658 333 HE ARG 57 HE ARG 57 -10.271 14.934 -7.202 334 HH11 ARG 57 1HH1 ARG 57 -10.601 16.425 -3.942 335 HH12 ARG 57 2HH1 ARG 57 -11.075 17.967 -4.594 336 HH21 ARG 57 1HH2 ARG 57 -11.135 16.780 -7.938 337 HH22 ARG 57 2HH2 ARG 57 -11.636 18.108 -6.914 338 H THR 58 H THR 58 -9.805 11.962 -0.466 339 HA THR 58 HA THR 58 -12.422 12.570 0.690 340 HB THR 58 HB THR 58 -12.058 10.329 2.016 341 HG1 THR 58 1HG THR 58 -10.732 9.520 -0.357 342 HG21 THR 58 3HG2 THR 58 -13.912 10.650 0.524 343 HG22 THR 58 1HG2 THR 58 -13.248 9.032 0.284 344 HG23 THR 58 2HG2 THR 58 -12.905 10.318 -0.903 345 H ALA 59 H ALA 59 -12.167 12.402 3.217 346 HA ALA 59 HA ALA 59 -9.544 13.596 3.979 347 HB1 ALA 59 1HB ALA 59 -12.227 13.474 5.419 348 HB2 ALA 59 2HB ALA 59 -10.760 14.279 6.010 349 HB3 ALA 59 3HB ALA 59 -11.578 14.886 4.553 350 H THR 60 H THR 60 -10.742 10.575 3.669 351 HA THR 60 HA THR 60 -8.307 9.752 4.158 352 HB THR 60 HB THR 60 -8.309 9.827 6.455 353 HG1 THR 60 1HG THR 60 -8.981 7.146 6.522 354 HG21 THR 60 3HG2 THR 60 -10.716 9.980 6.917 355 HG22 THR 60 1HG2 THR 60 -9.777 8.961 8.009 356 HG23 THR 60 2HG2 THR 60 -10.828 8.231 6.753 357 H MET 61 H MET 61 -8.082 7.421 3.738 358 HA MET 61 HA MET 61 -10.386 6.266 2.229 359 HB3 MET 61 2HB MET 61 -7.839 5.464 1.076 360 HG3 MET 61 2HG MET 61 -8.768 6.841 -0.873 361 HE1 MET 61 3HE MET 61 -8.336 4.654 -2.004 362 HE2 MET 61 1HE MET 61 -8.096 3.864 -0.434 363 HE3 MET 61 2HE MET 61 -9.152 3.112 -1.649 364 H SER 62 H SER 62 -9.972 4.039 1.752 365 HA SER 62 HA SER 62 -7.876 2.649 2.783 366 HB3 SER 62 2HB SER 62 -9.002 2.727 4.994 367 HG SER 62 HG SER 62 -11.225 2.512 4.417 368 H CYS 63 H CYS 63 -7.917 0.318 2.267 369 HA CYS 63 HA CYS 63 -10.159 -0.874 0.932 370 HB3 CYS 63 2HB CYS 63 -8.527 -1.821 -0.894 371 HG CYS 63 HG CYS 63 -10.738 -0.496 -1.297 372 H CYS 64 H CYS 64 -9.710 -3.233 0.796 373 HA CYS 64 HA CYS 64 -7.399 -4.299 2.272 374 HB3 CYS 64 2HB CYS 64 -8.884 -4.160 4.109 375 HG CYS 64 HG CYS 64 -11.058 -3.158 3.530 376 H THR 65 H THR 65 -7.943 -6.958 2.178 377 HA THR 65 HA THR 65 -8.938 -7.687 -0.463 378 HB THR 65 HB THR 65 -6.883 -7.796 -1.378 379 HG1 THR 65 1HG THR 65 -6.123 -9.812 0.300 380 HG21 THR 65 3HG2 THR 65 -5.489 -7.754 1.284 381 HG22 THR 65 1HG2 THR 65 -5.834 -6.340 0.258 382 HG23 THR 65 2HG2 THR 65 -4.766 -7.584 -0.351 383 H ASN 66 H ASN 66 -9.255 -10.054 -0.546 384 HA ASN 66 HA ASN 66 -10.123 -11.038 2.113 385 HB3 ASN 66 2HB ASN 66 -11.710 -11.183 0.125 386 HD21 ASN 66 1HD2 ASN 66 -10.124 -11.308 -1.983 387 HD22 ASN 66 2HD2 ASN 66 -10.087 -12.900 -2.648 388 H GLY 67 H GLY 67 -9.802 -13.621 2.205 389 HA2 GLY 67 1HA GLY 67 -7.090 -13.903 2.912 390 HA3 GLY 67 2HA GLY 67 -8.315 -15.156 2.953 391 H ASN 68 H ASN 68 -7.229 -13.559 -0.003 392 HA ASN 68 HA ASN 68 -5.477 -15.831 -0.746 393 HB3 ASN 68 2HB ASN 68 -6.309 -15.227 -3.194 394 HD21 ASN 68 1HD2 ASN 68 -6.043 -17.439 -3.657 395 HD22 ASN 68 2HD2 ASN 68 -7.222 -18.624 -3.081 396 H ALA 69 H ALA 69 -3.795 -14.093 0.220 397 HA ALA 69 HA ALA 69 -2.804 -12.828 -2.051 398 HB1 ALA 69 1HB ALA 69 -4.495 -10.945 -1.252 399 HB2 ALA 69 2HB ALA 69 -3.567 -10.965 0.247 400 HB3 ALA 69 3HB ALA 69 -2.792 -10.500 -1.285 401 H PHE 70 H PHE 70 -0.750 -11.825 -1.462 402 HA PHE 70 HA PHE 70 0.416 -12.897 1.067 403 HB3 PHE 70 2HB PHE 70 2.529 -13.079 -0.367 404 HD1 PHE 70 2HD PHE 70 1.150 -14.911 1.327 405 HD2 PHE 70 1HD PHE 70 1.009 -14.729 -2.947 406 HE1 PHE 70 2HE PHE 70 0.947 -17.268 1.340 407 HE2 PHE 70 1HE PHE 70 0.902 -17.227 -3.002 408 HZ PHE 70 HZ PHE 70 0.890 -18.536 -0.880 409 H PHE 71 H PHE 71 -0.166 -10.123 -0.830 410 HA PHE 71 HA PHE 71 0.961 -8.407 1.087 411 HB3 PHE 71 2HB PHE 71 3.023 -8.958 -0.362 412 HD1 PHE 71 2HD PHE 71 2.324 -10.255 -2.501 413 HD2 PHE 71 1HD PHE 71 2.100 -5.951 -2.162 414 HE1 PHE 71 2HE PHE 71 2.219 -10.046 -4.952 415 HE2 PHE 71 1HE PHE 71 1.864 -5.778 -4.621 416 HZ PHE 71 HZ PHE 71 1.903 -7.827 -6.016 417 H MET 72 H MET 72 0.431 -6.129 0.399 418 HA MET 72 HA MET 72 -1.453 -5.838 -1.851 419 HB3 MET 72 2HB MET 72 -1.641 -4.469 0.875 420 HG3 MET 72 2HG MET 72 -3.722 -4.888 -1.306 421 HE1 MET 72 3HE MET 72 -5.194 -2.282 -0.999 422 HE2 MET 72 1HE MET 72 -6.154 -3.785 -0.992 423 HE3 MET 72 2HE MET 72 -6.420 -2.543 0.249 424 H THR 73 H THR 73 -0.997 -3.813 -2.954 425 HA THR 73 HA THR 73 1.410 -2.357 -1.954 426 HB THR 73 HB THR 73 1.985 -3.510 -3.954 427 HG1 THR 73 1HG THR 73 3.037 -1.835 -4.522 428 HG21 THR 73 3HG2 THR 73 -0.362 -2.082 -5.281 429 HG22 THR 73 1HG2 THR 73 -0.123 -3.839 -5.101 430 HG23 THR 73 2HG2 THR 73 0.959 -2.907 -6.137 431 H CYS 74 H CYS 74 1.515 -0.132 -2.548 432 HA CYS 74 HA CYS 74 -0.835 1.271 -3.337 433 HB3 CYS 74 2HB CYS 74 0.195 2.234 -0.693 434 HG CYS 74 HG CYS 74 -2.309 2.284 -2.783 435 H ALA 75 H ALA 75 1.706 0.914 -4.513 436 HA ALA 75 HA ALA 75 3.327 3.300 -4.100 437 HB1 ALA 75 1HB ALA 75 4.268 2.765 -6.275 438 HB2 ALA 75 2HB ALA 75 4.266 1.325 -5.233 439 HB3 ALA 75 3HB ALA 75 3.050 1.488 -6.531 440 H GLY 76 H GLY 76 3.067 5.393 -5.073 441 HA2 GLY 76 1HA GLY 76 1.059 5.857 -7.079 442 HA3 GLY 76 2HA GLY 76 0.500 6.239 -5.436 443 H SER 77 H SER 77 0.420 8.409 -6.663 444 HA SER 77 HA SER 77 2.977 9.829 -6.259 445 HB3 SER 77 2HB SER 77 2.767 9.105 -8.623 446 HG SER 77 HG SER 77 1.223 10.077 -9.900 447 H VAL 78 H VAL 78 2.695 12.178 -6.353 448 HA VAL 78 HA VAL 78 0.005 13.185 -5.738 449 HB VAL 78 HB VAL 78 0.922 12.878 -3.580 450 HG11 VAL 78 1HG1 VAL 78 3.084 13.828 -2.817 451 HG12 VAL 78 2HG1 VAL 78 3.290 12.525 -3.985 452 HG13 VAL 78 3HG1 VAL 78 3.490 14.215 -4.497 453 HG21 VAL 78 3HG2 VAL 78 1.511 15.799 -4.195 454 HG22 VAL 78 1HG2 VAL 78 -0.127 15.140 -4.038 455 HG23 VAL 78 2HG2 VAL 78 0.990 15.083 -2.659 456 H SER 79 H SER 79 -0.296 15.315 -6.644 457 HA SER 79 HA SER 79 2.062 16.758 -7.548 458 HB3 SER 79 2HB SER 79 -0.139 16.014 -9.539 459 HG SER 79 HG SER 79 2.366 17.276 -9.665 460 H SER 80 H SER 80 1.379 18.953 -8.360 461 HA SER 80 HA SER 80 -1.323 19.786 -7.824 462 HB3 SER 80 2HB SER 80 0.810 20.455 -5.906 463 HG SER 80 HG SER 80 0.818 22.487 -6.903 464 H ILE 81 H ILE 81 -1.787 21.769 -8.950 465 HA ILE 81 HA ILE 81 0.395 22.965 -10.542 466 HB ILE 81 HB ILE 81 -1.259 23.382 -12.290 467 HG13 ILE 81 2HG1 ILE 81 -3.382 22.701 -12.391 468 HG21 ILE 81 1HG2 ILE 81 -0.644 20.457 -11.782 469 HG22 ILE 81 2HG2 ILE 81 -1.194 21.133 -13.326 470 HG23 ILE 81 3HG2 ILE 81 0.346 21.651 -12.634 471 HD11 ILE 81 3HD1 ILE 81 -4.467 20.858 -11.117 472 HD12 ILE 81 1HD1 ILE 81 -3.247 20.299 -12.270 473 HD13 ILE 81 2HD1 ILE 81 -2.864 20.370 -10.537 474 H SER 82 H SER 82 -0.858 23.443 -7.862 475 HA SER 82 HA SER 82 -2.521 25.786 -8.069 476 HB3 SER 82 2HB SER 82 -2.842 25.456 -5.821 477 HG SER 82 HG SER 82 -1.568 22.953 -6.085 478 H GLU 83 H GLU 83 -1.786 27.642 -6.477 479 HA GLU 83 HA GLU 83 0.760 28.736 -7.383 480 HB3 GLU 83 2HB GLU 83 -1.012 30.226 -7.148 481 HG3 GLU 83 2HG GLU 83 -1.716 31.055 -4.798 482 H ALA 84 H ALA 84 1.956 29.938 -5.668 483 HA ALA 84 HA ALA 84 3.130 28.016 -4.337 484 HB1 ALA 84 1HB ALA 84 4.248 30.133 -5.166 485 HB2 ALA 84 2HB ALA 84 3.530 31.005 -3.809 486 HB3 ALA 84 3HB ALA 84 4.754 29.756 -3.502 487 H GLY 85 H GLY 85 3.676 27.753 -1.962 488 HA2 GLY 85 1HA GLY 85 3.410 28.009 0.312 489 HA3 GLY 85 2HA GLY 85 2.227 29.291 0.046 490 H LYS 86 H LYS 86 1.026 26.915 -1.824 491 HA LYS 86 HA LYS 86 -1.059 26.103 0.012 492 HB3 LYS 86 2HB LYS 86 -1.851 24.696 -1.877 493 HG3 LYS 86 2HG LYS 86 -1.890 26.424 -3.763 494 HD3 LYS 86 2HD LYS 86 -3.055 28.255 -2.244 495 HE3 LYS 86 2HE LYS 86 -4.935 26.487 -1.658 496 HZ1 LYS 86 3HZ LYS 86 -5.640 26.536 -3.992 497 HZ2 LYS 86 1HZ LYS 86 -4.152 27.135 -4.448 498 HZ3 LYS 86 2HZ LYS 86 -5.122 27.995 -3.488 499 H ARG 87 H ARG 87 -0.865 24.506 1.424 500 HA ARG 87 HA ARG 87 1.703 22.972 1.365 501 HB3 ARG 87 2HB ARG 87 1.228 24.647 3.202 502 HG3 ARG 87 2HG ARG 87 -0.655 22.512 4.279 503 HD3 ARG 87 2HD ARG 87 -0.302 25.419 5.092 504 HE ARG 87 HE ARG 87 -2.195 24.735 6.220 505 HH11 ARG 87 1HH1 ARG 87 0.274 22.132 6.509 506 HH12 ARG 87 2HH1 ARG 87 -0.706 21.205 7.581 507 HH21 ARG 87 1HH2 ARG 87 -3.362 23.509 7.689 508 HH22 ARG 87 2HH2 ARG 87 -2.678 22.125 8.516 509 H LEU 88 H LEU 88 1.575 20.669 2.564 510 HA LEU 88 HA LEU 88 -0.989 19.404 2.335 511 HB3 LEU 88 2HB LEU 88 1.327 18.358 0.665 512 HG LEU 88 HG LEU 88 -0.693 16.868 1.235 513 HD11 LEU 88 1HD1 LEU 88 -2.099 18.792 -0.665 514 HD12 LEU 88 2HD1 LEU 88 -2.488 18.561 1.041 515 HD13 LEU 88 3HD1 LEU 88 -2.741 17.233 -0.098 516 HD21 LEU 88 3HD2 LEU 88 -0.971 16.167 -1.216 517 HD22 LEU 88 1HD2 LEU 88 0.691 16.242 -0.606 518 HD23 LEU 88 2HD2 LEU 88 0.062 17.547 -1.613 519 H HIS 89 H HIS 89 -0.884 17.433 3.497 520 HA HIS 89 HA HIS 89 1.740 16.386 4.269 521 HB3 HIS 89 2HB HIS 89 -0.491 16.877 6.283 522 HD1 HIS 89 1HD HIS 89 3.038 17.041 7.531 523 HD2 HIS 89 2HD HIS 89 0.089 14.057 6.856 524 HE1 HIS 89 1HE HIS 89 3.712 15.004 8.872 525 H ILE 90 H ILE 90 1.669 14.171 4.123 526 HA ILE 90 HA ILE 90 -0.937 12.911 3.376 527 HB ILE 90 HB ILE 90 1.740 12.751 1.952 528 HG13 ILE 90 2HG1 ILE 90 0.749 13.613 0.020 529 HG21 ILE 90 1HG2 ILE 90 -0.755 11.068 1.528 530 HG22 ILE 90 2HG2 ILE 90 0.632 11.145 0.412 531 HG23 ILE 90 3HG2 ILE 90 0.818 10.510 2.067 532 HD11 ILE 90 3HD1 ILE 90 -1.916 13.197 1.292 533 HD12 ILE 90 1HD1 ILE 90 -1.697 14.307 -0.080 534 HD13 ILE 90 2HD1 ILE 90 -1.318 12.584 -0.275 535 H THR 91 H THR 91 -1.215 11.003 4.306 536 HA THR 91 HA THR 91 1.005 9.920 6.007 537 HB THR 91 HB THR 91 -1.838 9.967 6.968 538 HG1 THR 91 1HG THR 91 -1.843 12.022 7.451 539 HG21 THR 91 3HG2 THR 91 0.010 8.827 8.230 540 HG22 THR 91 1HG2 THR 91 -0.772 10.128 9.142 541 HG23 THR 91 2HG2 THR 91 0.796 10.420 8.384 542 H VAL 92 H VAL 92 1.281 7.702 5.822 543 HA VAL 92 HA VAL 92 -0.815 6.125 4.437 544 HB VAL 92 HB VAL 92 1.275 5.003 3.366 545 HG11 VAL 92 1HG1 VAL 92 -0.553 6.201 2.179 546 HG12 VAL 92 2HG1 VAL 92 0.307 7.727 2.408 547 HG13 VAL 92 3HG1 VAL 92 0.995 6.428 1.373 548 HG21 VAL 92 3HG2 VAL 92 3.108 6.464 2.659 549 HG22 VAL 92 1HG2 VAL 92 2.491 7.778 3.693 550 HG23 VAL 92 2HG2 VAL 92 3.049 6.267 4.422 551 H ILE 93 H ILE 93 -1.373 4.398 5.631 552 HA ILE 93 HA ILE 93 0.672 3.154 7.386 553 HB ILE 93 HB ILE 93 -2.220 3.688 8.179 554 HG13 ILE 93 2HG1 ILE 93 -0.834 5.808 8.149 555 HG21 ILE 93 1HG2 ILE 93 0.154 2.594 9.780 556 HG22 ILE 93 2HG2 ILE 93 -1.495 2.814 10.388 557 HG23 ILE 93 3HG2 ILE 93 -1.180 1.613 9.154 558 HD11 ILE 93 3HD1 ILE 93 -1.229 6.589 10.373 559 HD12 ILE 93 1HD1 ILE 93 -2.608 5.633 9.820 560 HD13 ILE 93 2HD1 ILE 93 -1.447 4.930 10.970 561 H GLY 94 H GLY 94 0.518 0.900 7.417 562 HA2 GLY 94 1HA GLY 94 -1.545 -0.410 5.703 563 HA3 GLY 94 2HA GLY 94 0.185 -0.674 5.423 564 H TYR 95 H TYR 95 -2.025 -2.512 6.250 565 HA TYR 95 HA TYR 95 -1.115 -3.421 8.910 566 HB3 TYR 95 2HB TYR 95 -3.564 -3.971 9.260 567 HD1 TYR 95 2HD TYR 95 -3.647 -0.611 7.664 568 HD2 TYR 95 1HD TYR 95 -3.325 -2.834 11.345 569 HE1 TYR 95 2HE TYR 95 -3.858 1.496 8.969 570 HE2 TYR 95 1HE TYR 95 -3.425 -0.759 12.643 571 HH TYR 95 HH TYR 95 -3.850 2.475 11.150 572 H ILE 96 H ILE 96 -1.360 -5.631 9.410 573 HA ILE 96 HA ILE 96 -2.365 -7.401 7.278 574 HB ILE 96 HB ILE 96 0.255 -8.005 8.714 575 HG13 ILE 96 2HG1 ILE 96 0.715 -6.133 7.245 576 HG21 ILE 96 1HG2 ILE 96 -1.188 -9.334 6.365 577 HG22 ILE 96 2HG2 ILE 96 0.384 -9.839 7.025 578 HG23 ILE 96 3HG2 ILE 96 -1.047 -9.974 8.017 579 HD11 ILE 96 3HD1 ILE 96 1.661 -8.527 5.647 580 HD12 ILE 96 1HD1 ILE 96 2.414 -6.954 5.840 581 HD13 ILE 96 2HD1 ILE 96 2.356 -8.052 7.222 582 H ASP 97 H ASP 97 -3.534 -9.041 8.182 583 HA ASP 97 HA ASP 97 -4.694 -10.271 9.642 584 HB3 ASP 97 2HB ASP 97 -2.439 -9.967 11.652 585 H ASP 98 H ASP 98 -3.244 -8.299 12.219 586 HA ASP 98 HA ASP 98 -5.750 -6.768 12.598 587 HB3 ASP 98 2HB ASP 98 -4.610 -8.544 14.783 588 H LYS 99 H LYS 99 -2.719 -6.320 11.945 589 HA LYS 99 HA LYS 99 -2.193 -4.240 14.000 590 HB3 LYS 99 2HB LYS 99 0.264 -5.146 13.696 591 HG3 LYS 99 2HG LYS 99 -1.724 -6.742 15.364 592 HD3 LYS 99 2HD LYS 99 1.027 -6.958 15.342 593 HE3 LYS 99 2HE LYS 99 0.152 -5.094 17.590 594 HZ1 LYS 99 3HZ LYS 99 1.911 -6.830 18.025 595 HZ2 LYS 99 1HZ LYS 99 2.246 -5.281 18.447 596 HZ3 LYS 99 2HZ LYS 99 2.930 -5.941 17.083 597 H GLU 100 H GLU 100 -0.526 -2.671 13.309 598 HA GLU 100 HA GLU 100 -0.453 -2.362 10.390 599 HB3 GLU 100 2HB GLU 100 -0.787 -0.407 12.098 600 HG3 GLU 100 2HG GLU 100 1.275 0.937 12.228 601 H VAL 101 H VAL 101 1.630 -2.315 9.275 602 HA VAL 101 HA VAL 101 3.982 -3.191 10.872 603 HB VAL 101 HB VAL 101 4.696 -4.787 9.203 604 HG11 VAL 101 1HG1 VAL 101 3.286 -5.601 11.085 605 HG12 VAL 101 2HG1 VAL 101 1.851 -5.488 10.042 606 HG13 VAL 101 3HG1 VAL 101 3.170 -6.604 9.631 607 HG21 VAL 101 3HG2 VAL 101 3.260 -5.541 7.383 608 HG22 VAL 101 1HG2 VAL 101 2.037 -4.303 7.779 609 HG23 VAL 101 2HG2 VAL 101 3.654 -3.842 7.185 610 H ASN 102 H ASN 102 2.698 -0.863 8.785 611 HA ASN 102 HA ASN 102 5.382 -0.011 7.907 612 HB3 ASN 102 2HB ASN 102 3.159 -0.376 5.874 613 HD21 ASN 102 1HD2 ASN 102 5.307 -1.674 4.166 614 HD22 ASN 102 2HD2 ASN 102 6.573 -0.554 3.899 615 H ARG 103 H ARG 103 5.472 2.191 7.964 616 HA ARG 103 HA ARG 103 3.247 3.834 7.210 617 HB3 ARG 103 2HB ARG 103 4.183 3.755 10.142 618 HG3 ARG 103 2HG ARG 103 2.209 5.489 10.393 619 HD3 ARG 103 2HD ARG 103 3.775 7.440 9.955 620 HE ARG 103 HE ARG 103 4.245 5.370 12.012 621 HH11 ARG 103 1HH1 ARG 103 5.263 8.597 10.972 622 HH12 ARG 103 2HH1 ARG 103 4.889 9.377 12.486 623 HH21 ARG 103 1HH2 ARG 103 4.119 6.353 14.177 624 HH22 ARG 103 2HH2 ARG 103 4.715 7.963 14.377 625 H LEU 104 H LEU 104 3.813 5.792 6.540 626 HA LEU 104 HA LEU 104 6.069 7.053 7.755 627 HB3 LEU 104 2HB LEU 104 7.262 5.836 6.032 628 HG LEU 104 HG LEU 104 5.105 6.465 4.315 629 HD11 LEU 104 1HD1 LEU 104 7.795 7.594 3.390 630 HD12 LEU 104 2HD1 LEU 104 6.378 8.563 3.791 631 HD13 LEU 104 3HD1 LEU 104 6.348 7.445 2.388 632 HD21 LEU 104 3HD2 LEU 104 6.301 4.321 4.362 633 HD22 LEU 104 1HD2 LEU 104 7.738 5.108 3.681 634 HD23 LEU 104 2HD2 LEU 104 6.270 5.017 2.721 635 H GLU 105 H GLU 105 6.200 9.421 6.806 636 HA GLU 105 HA GLU 105 3.469 10.387 6.195 637 HB3 GLU 105 2HB GLU 105 3.636 12.016 7.966 638 HG3 GLU 105 2HG GLU 105 4.405 9.377 9.246 639 H LYS 106 H LYS 106 3.552 12.237 4.903 640 HA LYS 106 HA LYS 106 6.246 13.243 4.164 641 HB3 LYS 106 2HB LYS 106 5.701 13.265 1.855 642 HG3 LYS 106 2HG LYS 106 6.358 10.967 3.045 643 HD3 LYS 106 2HD LYS 106 3.943 10.147 3.137 644 HE3 LYS 106 2HE LYS 106 4.269 10.354 0.116 645 HZ1 LYS 106 3HZ LYS 106 3.153 8.312 0.641 646 HZ2 LYS 106 1HZ LYS 106 2.036 9.344 0.057 647 HZ3 LYS 106 2HZ LYS 106 2.081 9.059 1.648 648 H GLU 107 H GLU 107 5.957 15.160 2.762 649 HA GLU 107 HA GLU 107 3.763 16.954 3.572 650 HB3 GLU 107 2HB GLU 107 6.564 17.552 4.584 651 HG3 GLU 107 2HG GLU 107 3.759 18.482 5.331 652 H TYR 108 H TYR 108 3.641 18.652 2.044 653 HA TYR 108 HA TYR 108 5.963 19.105 0.279 654 HB3 TYR 108 2HB TYR 108 4.742 18.583 -1.683 655 HD1 TYR 108 2HD TYR 108 6.415 16.757 -1.655 656 HD2 TYR 108 1HD TYR 108 2.653 16.420 0.390 657 HE1 TYR 108 2HE TYR 108 6.641 14.289 -1.693 658 HE2 TYR 108 1HE TYR 108 2.869 13.932 0.368 659 HH TYR 108 HH TYR 108 5.696 12.261 -1.000 660 H ILE 109 H ILE 109 5.835 21.239 -0.727 661 HA ILE 109 HA ILE 109 3.341 22.717 -0.465 662 HB ILE 109 HB ILE 109 5.921 23.978 0.486 663 HG13 ILE 109 2HG1 ILE 109 5.457 22.243 2.132 664 HG21 ILE 109 1HG2 ILE 109 4.086 25.497 -0.347 665 HG22 ILE 109 2HG2 ILE 109 3.072 24.910 0.985 666 HG23 ILE 109 3HG2 ILE 109 4.592 25.787 1.293 667 HD11 ILE 109 3HD1 ILE 109 5.209 23.408 4.163 668 HD12 ILE 109 1HD1 ILE 109 6.098 24.487 3.064 669 HD13 ILE 109 2HD1 ILE 109 4.366 24.760 3.401 670 H THR 110 H THR 110 3.186 24.356 -2.056 671 HA THR 110 HA THR 110 4.722 24.062 -4.492 672 HB THR 110 HB THR 110 2.935 25.986 -4.980 673 HG1 THR 110 1HG THR 110 1.400 26.198 -3.660 674 HG21 THR 110 3HG2 THR 110 2.703 23.539 -5.624 675 HG22 THR 110 1HG2 THR 110 1.171 24.357 -5.251 676 HG23 THR 110 2HG2 THR 110 1.904 23.259 -4.060 677 H ASP 111 H ASP 111 6.294 25.478 -5.310 678 HA ASP 111 HA ASP 111 6.643 28.082 -3.935 679 HB3 ASP 111 2HB ASP 111 8.930 26.408 -5.022 680 H GLY 112 H GLY 112 4.863 27.948 -5.890 681 HA2 GLY 112 1HA GLY 112 4.371 29.478 -7.545 682 HA3 GLY 112 2HA GLY 112 6.089 29.708 -7.895 683 H ASN 113 H ASN 113 6.677 26.839 -8.161 684 HA ASN 113 HA ASN 113 5.803 26.441 -10.872 685 HB3 ASN 113 2HB ASN 113 7.443 24.287 -9.696 686 HD21 ASN 113 1HD2 ASN 113 8.937 27.165 -10.880 687 HD22 ASN 113 2HD2 ASN 113 9.023 26.662 -12.548 688 H THR 114 H THR 114 5.853 23.889 -11.304 689 HA THR 114 HA THR 114 3.331 22.708 -10.423 690 HB THR 114 HB THR 114 4.640 20.704 -11.668 691 HG1 THR 114 1HG THR 114 6.021 21.342 -13.163 692 HG21 THR 114 3HG2 THR 114 3.696 21.476 -13.804 693 HG22 THR 114 1HG2 THR 114 3.569 23.140 -13.181 694 HG23 THR 114 2HG2 THR 114 2.580 21.849 -12.487 695 H LEU 115 H LEU 115 3.136 21.050 -8.886 696 HA LEU 115 HA LEU 115 5.632 20.241 -7.436 697 HB3 LEU 115 2HB LEU 115 2.773 19.969 -6.458 698 HG LEU 115 HG LEU 115 5.462 19.237 -5.421 699 HD11 LEU 115 1HD1 LEU 115 3.593 20.601 -3.450 700 HD12 LEU 115 2HD1 LEU 115 4.995 21.385 -4.212 701 HD13 LEU 115 3HD1 LEU 115 5.250 19.984 -3.201 702 HD21 LEU 115 3HD2 LEU 115 2.660 18.496 -4.458 703 HD22 LEU 115 1HD2 LEU 115 4.185 17.717 -3.985 704 HD23 LEU 115 2HD2 LEU 115 3.606 17.584 -5.645 705 H ILE 116 H ILE 116 6.036 17.966 -7.245 706 HA ILE 116 HA ILE 116 4.131 16.007 -8.033 707 HB ILE 116 HB ILE 116 6.692 16.553 -9.504 708 HG13 ILE 116 2HG1 ILE 116 5.591 16.404 -11.427 709 HG21 ILE 116 1HG2 ILE 116 7.198 14.339 -8.833 710 HG22 ILE 116 2HG2 ILE 116 5.534 13.797 -9.243 711 HG23 ILE 116 3HG2 ILE 116 6.637 14.349 -10.516 712 HD11 ILE 116 3HD1 ILE 116 3.433 14.676 -10.142 713 HD12 ILE 116 1HD1 ILE 116 3.265 15.409 -11.747 714 HD13 ILE 116 2HD1 ILE 116 4.524 14.213 -11.466 715 H GLU 117 H GLU 117 4.821 14.024 -7.098 716 HA GLU 117 HA GLU 117 7.336 13.400 -6.230 717 HB3 GLU 117 2HB GLU 117 6.372 13.184 -3.626 718 HG3 GLU 117 2HG GLU 117 8.042 15.187 -3.315 719 H THR 118 H THR 118 7.235 11.226 -4.881 720 HA THR 118 HA THR 118 4.825 9.621 -5.503 721 HB THR 118 HB THR 118 6.270 7.915 -6.622 722 HG1 THR 118 1HG THR 118 8.078 8.826 -7.764 723 HG21 THR 118 3HG2 THR 118 4.726 9.264 -7.882 724 HG22 THR 118 1HG2 THR 118 6.152 8.908 -8.847 725 HG23 THR 118 2HG2 THR 118 5.952 10.522 -8.138 726 H PHE 119 H PHE 119 4.715 7.675 -4.435 727 HA PHE 119 HA PHE 119 6.662 7.221 -2.236 728 HB3 PHE 119 2HB PHE 119 5.199 8.864 -1.282 729 HD1 PHE 119 1HD PHE 119 2.714 6.055 -1.374 730 HD2 PHE 119 2HD PHE 119 3.553 10.147 -2.512 731 HE1 PHE 119 1HE PHE 119 0.382 6.351 -1.978 732 HE2 PHE 119 2HE PHE 119 1.162 10.445 -3.134 733 HZ PHE 119 HZ PHE 119 -0.418 8.557 -2.954 734 H SER 120 H SER 120 5.968 5.251 -0.897 735 HA SER 120 HA SER 120 4.454 3.217 -2.385 736 HB3 SER 120 2HB SER 120 6.373 2.993 -3.689 737 HG SER 120 HG SER 120 7.979 3.431 -1.366 738 H VAL 121 H VAL 121 3.284 2.338 -0.858 739 HA VAL 121 HA VAL 121 4.707 1.255 1.505 740 HB VAL 121 HB VAL 121 2.153 2.895 1.457 741 HG11 VAL 121 1HG1 VAL 121 2.153 2.387 3.975 742 HG12 VAL 121 2HG1 VAL 121 1.619 1.088 2.890 743 HG13 VAL 121 3HG1 VAL 121 3.264 1.052 3.585 744 HG21 VAL 121 3HG2 VAL 121 4.832 3.079 2.905 745 HG22 VAL 121 1HG2 VAL 121 4.191 4.228 1.703 746 HG23 VAL 121 2HG2 VAL 121 3.452 4.104 3.303 747 H SER 122 H SER 122 4.892 -0.669 0.502 748 HA SER 122 HA SER 122 2.452 -2.185 -0.194 749 HB3 SER 122 2HB SER 122 3.855 -3.794 -1.149 750 HG SER 122 HG SER 122 5.883 -2.419 -1.822 751 H THR 123 H THR 123 2.004 -4.168 1.142 752 HA THR 123 HA THR 123 3.024 -3.881 3.926 753 HB THR 123 HB THR 123 1.299 -5.599 4.423 754 HG1 THR 123 1HG THR 123 1.435 -6.633 2.488 755 HG21 THR 123 3HG2 THR 123 -0.738 -4.345 3.979 756 HG22 THR 123 1HG2 THR 123 0.128 -3.323 2.818 757 HG23 THR 123 2HG2 THR 123 0.545 -3.280 4.554 758 H LYS 124 H LYS 124 4.982 -4.803 1.769 759 HA LYS 124 HA LYS 124 6.019 -7.018 3.106 760 HB3 LYS 124 2HB LYS 124 5.299 -7.864 0.321 761 HG3 LYS 124 2HG LYS 124 6.570 -9.248 2.148 762 HD3 LYS 124 2HD LYS 124 3.641 -9.470 3.030 763 HE3 LYS 124 2HE LYS 124 4.318 -11.193 4.580 764 HZ1 LYS 124 3HZ LYS 124 4.461 -12.942 3.178 765 HZ2 LYS 124 1HZ LYS 124 5.282 -12.124 2.002 766 HZ3 LYS 124 2HZ LYS 124 3.663 -11.805 2.259 767 H GLU 125 H GLU 125 8.105 -7.322 2.438 768 HA GLU 125 HA GLU 125 9.263 -6.818 -0.062 769 HB3 GLU 125 2HB GLU 125 10.698 -5.060 1.803 770 HG3 GLU 125 2HG GLU 125 10.258 -3.373 -0.104 771 H ILE 126 H ILE 126 11.930 -6.882 0.784 772 HA ILE 126 HA ILE 126 12.043 -8.988 2.878 773 HB ILE 126 HB ILE 126 14.213 -9.565 1.981 774 HG13 ILE 126 2HG1 ILE 126 14.528 -7.293 0.760 775 HG21 ILE 126 1HG2 ILE 126 12.270 -10.890 1.354 776 HG22 ILE 126 2HG2 ILE 126 11.991 -9.860 -0.075 777 HG23 ILE 126 3HG2 ILE 126 13.455 -10.864 0.040 778 HD11 ILE 126 3HD1 ILE 126 16.119 -8.179 -0.799 779 HD12 ILE 126 1HD1 ILE 126 16.203 -9.124 0.691 780 HD13 ILE 126 2HD1 ILE 126 15.375 -9.796 -0.733 Start of MODEL 9 1 H1 GLY 1 H GLY 1 8.681 -23.469 6.713 2 HA2 GLY 1 1HA GLY 1 11.617 -23.496 6.274 3 HA3 GLY 1 2HA GLY 1 10.523 -22.217 5.717 4 H ALA 2 H ALA 2 12.893 -22.091 7.580 5 HA ALA 2 HA ALA 2 11.782 -21.465 10.202 6 HB1 ALA 2 1HB ALA 2 14.623 -21.230 9.159 7 HB2 ALA 2 2HB ALA 2 14.085 -21.186 10.841 8 HB3 ALA 2 3HB ALA 2 13.934 -22.692 9.924 9 H SER 3 H SER 3 10.798 -19.823 8.014 10 HA SER 3 HA SER 3 11.659 -17.151 8.893 11 HB3 SER 3 2HB SER 3 11.580 -16.926 6.624 12 HG SER 3 HG SER 3 11.105 -18.761 5.679 13 H ASP 4 H ASP 4 9.490 -15.811 9.108 14 HA ASP 4 HA ASP 4 7.404 -17.335 10.577 15 HB3 ASP 4 2HB ASP 4 8.914 -14.891 11.559 16 H PHE 5 H PHE 5 5.528 -16.919 9.521 17 HA PHE 5 HA PHE 5 5.249 -14.470 7.954 18 HB3 PHE 5 2HB PHE 5 6.554 -15.736 6.548 19 HD1 PHE 5 2HD PHE 5 7.479 -17.592 7.688 20 HD2 PHE 5 1HD PHE 5 3.683 -17.830 5.873 21 HE1 PHE 5 2HE PHE 5 7.588 -20.128 7.932 22 HE2 PHE 5 1HE PHE 5 3.689 -20.349 6.074 23 HZ PHE 5 HZ PHE 5 5.646 -21.485 7.128 24 H GLN 6 H GLN 6 3.252 -13.818 8.730 25 HA GLN 6 HA GLN 6 0.999 -15.734 8.610 26 HB3 GLN 6 2HB GLN 6 0.022 -14.204 10.301 27 HG3 GLN 6 2HG GLN 6 2.451 -15.319 11.653 28 HE21 GLN 6 1HE2 GLN 6 -0.270 -17.317 11.798 29 HE22 GLN 6 2HE2 GLN 6 -1.267 -16.471 12.928 30 H THR 7 H THR 7 -0.093 -15.249 6.870 31 HA THR 7 HA THR 7 -0.627 -12.396 6.173 32 HB THR 7 HB THR 7 -0.556 -12.906 3.879 33 HG1 THR 7 1HG THR 7 -0.890 -14.793 3.056 34 HG21 THR 7 3HG2 THR 7 1.739 -14.603 4.861 35 HG22 THR 7 1HG2 THR 7 1.737 -12.816 4.836 36 HG23 THR 7 2HG2 THR 7 1.582 -13.739 3.333 37 H GLY 8 H GLY 8 -2.684 -12.296 4.777 38 HA2 GLY 8 1HA GLY 8 -4.905 -13.769 4.961 39 HA3 GLY 8 2HA GLY 8 -4.843 -13.052 6.570 40 H ILE 9 H ILE 9 -5.717 -11.063 6.764 41 HA ILE 9 HA ILE 9 -6.705 -9.870 4.249 42 HB ILE 9 HB ILE 9 -7.718 -9.462 7.085 43 HG13 ILE 9 2HG1 ILE 9 -7.883 -11.869 6.170 44 HG21 ILE 9 1HG2 ILE 9 -9.757 -8.635 5.781 45 HG22 ILE 9 2HG2 ILE 9 -8.332 -7.609 5.600 46 HG23 ILE 9 3HG2 ILE 9 -8.782 -8.745 4.313 47 HD11 ILE 9 3HD1 ILE 9 -10.165 -12.254 6.749 48 HD12 ILE 9 1HD1 ILE 9 -9.461 -11.089 7.886 49 HD13 ILE 9 2HD1 ILE 9 -10.567 -10.540 6.605 50 H HIS 10 H HIS 10 -4.928 -8.643 3.582 51 HA HIS 10 HA HIS 10 -3.614 -6.777 5.390 52 HB3 HIS 10 2HB HIS 10 -2.649 -5.826 3.310 53 HD1 HIS 10 1HD HIS 10 -0.215 -6.641 3.254 54 HD2 HIS 10 2HD HIS 10 -3.065 -9.716 3.367 55 HE1 HIS 10 1HE HIS 10 1.090 -8.844 3.375 56 H LYS 11 H LYS 11 -3.821 -4.492 5.279 57 HA LYS 11 HA LYS 11 -5.964 -3.389 3.638 58 HB3 LYS 11 2HB LYS 11 -5.889 -2.673 6.604 59 HG3 LYS 11 2HG LYS 11 -7.882 -2.164 4.383 60 HD3 LYS 11 2HD LYS 11 -8.311 -1.124 7.156 61 HE3 LYS 11 2HE LYS 11 -10.308 -1.991 5.013 62 HZ1 LYS 11 3HZ LYS 11 -11.668 -0.291 6.068 63 HZ2 LYS 11 1HZ LYS 11 -10.526 -0.000 7.199 64 HZ3 LYS 11 2HZ LYS 11 -11.321 -1.460 7.135 65 H ILE 12 H ILE 12 -5.596 -1.168 3.171 66 HA ILE 12 HA ILE 12 -3.086 0.048 4.174 67 HB ILE 12 HB ILE 12 -4.206 0.086 1.342 68 HG13 ILE 12 2HG1 ILE 12 -2.097 -0.703 0.568 69 HG21 ILE 12 1HG2 ILE 12 -2.164 1.964 2.591 70 HG22 ILE 12 2HG2 ILE 12 -2.381 1.754 0.839 71 HG23 ILE 12 3HG2 ILE 12 -3.715 2.355 1.814 72 HD11 ILE 12 3HD1 ILE 12 -1.020 -0.661 3.397 73 HD12 ILE 12 1HD1 ILE 12 -0.237 -1.365 1.971 74 HD13 ILE 12 2HD1 ILE 12 -0.480 0.382 2.060 75 H VAL 13 H VAL 13 -3.499 2.109 4.925 76 HA VAL 13 HA VAL 13 -6.233 3.279 4.582 77 HB VAL 13 HB VAL 13 -4.497 3.023 7.094 78 HG11 VAL 13 1HG1 VAL 13 -6.395 4.006 8.305 79 HG12 VAL 13 2HG1 VAL 13 -5.738 5.133 7.096 80 HG13 VAL 13 3HG1 VAL 13 -7.253 4.279 6.781 81 HG21 VAL 13 3HG2 VAL 13 -7.115 1.616 6.393 82 HG22 VAL 13 1HG2 VAL 13 -5.531 0.862 6.650 83 HG23 VAL 13 2HG2 VAL 13 -6.356 1.627 7.993 84 H ILE 14 H ILE 14 -6.120 5.541 4.072 85 HA ILE 14 HA ILE 14 -3.368 6.728 4.006 86 HB ILE 14 HB ILE 14 -5.343 6.683 1.691 87 HG13 ILE 14 2HG1 ILE 14 -4.520 4.429 1.975 88 HG21 ILE 14 1HG2 ILE 14 -2.476 7.650 1.871 89 HG22 ILE 14 2HG2 ILE 14 -3.489 7.655 0.398 90 HG23 ILE 14 3HG2 ILE 14 -3.919 8.677 1.759 91 HD11 ILE 14 3HD1 ILE 14 -2.913 5.608 -0.298 92 HD12 ILE 14 1HD1 ILE 14 -3.538 3.960 -0.100 93 HD13 ILE 14 2HD1 ILE 14 -4.673 5.289 -0.328 94 H GLN 15 H GLN 15 -3.392 8.868 4.577 95 HA GLN 15 HA GLN 15 -6.051 10.199 4.721 96 HB3 GLN 15 2HB GLN 15 -5.266 11.413 6.677 97 HG3 GLN 15 2HG GLN 15 -4.682 8.451 7.098 98 HE21 GLN 15 1HE2 GLN 15 -5.722 8.203 9.607 99 HE22 GLN 15 2HE2 GLN 15 -4.896 9.209 10.744 100 H GLN 16 H GLN 16 -5.968 12.569 4.517 101 HA GLN 16 HA GLN 16 -3.445 13.746 3.680 102 HB3 GLN 16 2HB GLN 16 -4.489 12.876 1.587 103 HG3 GLN 16 2HG GLN 16 -6.521 15.101 1.916 104 HE21 GLN 16 1HE2 GLN 16 -8.437 14.648 0.243 105 HE22 GLN 16 2HE2 GLN 16 -7.799 14.134 -1.340 106 H SER 17 H SER 17 -3.377 15.925 4.125 107 HA SER 17 HA SER 17 -5.820 17.380 4.557 108 HB3 SER 17 2HB SER 17 -3.795 17.718 6.811 109 HG SER 17 HG SER 17 -6.632 17.649 6.790 110 H GLY 18 H GLY 18 -4.930 19.864 5.290 111 HA2 GLY 18 1HA GLY 18 -3.046 21.328 5.202 112 HA3 GLY 18 2HA GLY 18 -2.452 20.474 3.764 113 H ASP 19 H ASP 19 -3.165 20.957 1.792 114 HA ASP 19 HA ASP 19 -5.725 22.378 1.425 115 HB3 ASP 19 2HB ASP 19 -3.229 22.587 -0.325 116 H THR 20 H THR 20 -6.972 20.773 0.754 117 HA THR 20 HA THR 20 -5.844 18.650 -1.030 118 HB THR 20 HB THR 20 -7.379 17.109 -0.113 119 HG1 THR 20 1HG THR 20 -8.799 19.281 0.730 120 HG21 THR 20 3HG2 THR 20 -6.741 17.128 2.305 121 HG22 THR 20 1HG2 THR 20 -6.142 18.755 2.153 122 HG23 THR 20 2HG2 THR 20 -5.358 17.454 1.237 123 H ASP 21 H ASP 21 -7.132 21.408 -1.632 124 HA ASP 21 HA ASP 21 -9.506 20.693 -3.273 125 HB3 ASP 21 2HB ASP 21 -9.574 23.161 -3.642 126 H SER 22 H SER 22 -6.168 21.783 -3.394 127 HA SER 22 HA SER 22 -6.157 21.780 -6.347 128 HB3 SER 22 2HB SER 22 -4.195 23.521 -5.080 129 HG SER 22 HG SER 22 -5.112 23.725 -7.211 130 H PHE 23 H PHE 23 -5.512 19.526 -4.511 131 HA PHE 23 HA PHE 23 -2.969 18.902 -5.875 132 HB3 PHE 23 2HB PHE 23 -2.423 17.327 -3.961 133 HD1 PHE 23 1HD PHE 23 -3.232 20.556 -2.292 134 HD2 PHE 23 2HD PHE 23 -0.225 18.208 -4.297 135 HE1 PHE 23 1HE PHE 23 -1.440 21.959 -1.287 136 HE2 PHE 23 2HE PHE 23 1.528 19.716 -3.390 137 HZ PHE 23 HZ PHE 23 0.929 21.587 -1.887 138 H GLU 24 H GLU 24 -2.884 16.769 -6.704 139 HA GLU 24 HA GLU 24 -5.238 15.043 -6.389 140 HB3 GLU 24 2HB GLU 24 -4.847 15.570 -8.692 141 HG3 GLU 24 2HG GLU 24 -2.067 15.734 -8.141 142 H VAL 25 H VAL 25 -4.699 12.803 -5.998 143 HA VAL 25 HA VAL 25 -2.000 12.054 -5.310 144 HB VAL 25 HB VAL 25 -4.228 11.669 -3.267 145 HG11 VAL 25 1HG1 VAL 25 -1.229 11.208 -3.066 146 HG12 VAL 25 2HG1 VAL 25 -2.435 10.888 -1.798 147 HG13 VAL 25 3HG1 VAL 25 -2.454 9.942 -3.297 148 HG21 VAL 25 3HG2 VAL 25 -1.974 13.656 -2.958 149 HG22 VAL 25 1HG2 VAL 25 -3.694 14.049 -3.192 150 HG23 VAL 25 2HG2 VAL 25 -3.207 13.194 -1.749 151 H SER 26 H SER 26 -2.056 10.369 -6.840 152 HA SER 26 HA SER 26 -4.499 8.631 -6.974 153 HB3 SER 26 2HB SER 26 -3.972 9.472 -9.142 154 HG SER 26 HG SER 26 -1.908 10.185 -9.043 155 H VAL 27 H VAL 27 -4.238 6.439 -6.469 156 HA VAL 27 HA VAL 27 -1.501 5.402 -6.005 157 HB VAL 27 HB VAL 27 -2.412 4.198 -3.992 158 HG11 VAL 27 1HG1 VAL 27 -0.765 6.043 -3.885 159 HG12 VAL 27 2HG1 VAL 27 -2.095 7.197 -3.656 160 HG13 VAL 27 3HG1 VAL 27 -1.792 5.934 -2.444 161 HG21 VAL 27 3HG2 VAL 27 -4.848 4.783 -4.240 162 HG22 VAL 27 1HG2 VAL 27 -4.178 5.182 -2.665 163 HG23 VAL 27 2HG2 VAL 27 -4.452 6.466 -3.868 164 H SER 28 H SER 28 -1.205 3.602 -7.095 165 HA SER 28 HA SER 28 -3.232 1.878 -8.239 166 HB3 SER 28 2HB SER 28 -0.275 1.492 -7.639 167 HG SER 28 HG SER 28 -1.474 0.250 -9.794 168 H ILE 29 H ILE 29 -4.178 0.123 -7.212 169 HA ILE 29 HA ILE 29 -3.274 -0.617 -4.471 170 HB ILE 29 HB ILE 29 -6.046 0.017 -5.531 171 HG13 ILE 29 2HG1 ILE 29 -4.422 1.868 -4.522 172 HG21 ILE 29 1HG2 ILE 29 -6.642 -0.552 -2.978 173 HG22 ILE 29 2HG2 ILE 29 -6.660 -1.750 -4.248 174 HG23 ILE 29 3HG2 ILE 29 -5.263 -1.645 -3.151 175 HD11 ILE 29 3HD1 ILE 29 -7.223 1.549 -3.454 176 HD12 ILE 29 1HD1 ILE 29 -6.252 3.026 -3.432 177 HD13 ILE 29 2HD1 ILE 29 -6.758 2.310 -4.982 178 H GLY 30 H GLY 30 -2.652 -2.714 -4.555 179 HA2 GLY 30 1HA GLY 30 -3.932 -4.674 -6.304 180 HA3 GLY 30 2HA GLY 30 -2.307 -4.161 -6.766 181 H GLY 31 H GLY 31 -2.555 -6.729 -6.245 182 HA2 GLY 31 1HA GLY 31 -0.649 -7.426 -4.363 183 HA3 GLY 31 2HA GLY 31 -2.216 -7.588 -3.548 184 H ALA 32 H ALA 32 -0.881 -9.937 -3.831 185 HA ALA 32 HA ALA 32 -2.349 -11.406 -5.929 186 HB1 ALA 32 1HB ALA 32 0.049 -10.754 -6.732 187 HB2 ALA 32 2HB ALA 32 0.590 -11.947 -5.498 188 HB3 ALA 32 3HB ALA 32 -0.448 -12.447 -6.833 189 H ASP 33 H ASP 33 -2.027 -13.789 -5.656 190 HA ASP 33 HA ASP 33 -1.814 -14.637 -2.843 191 HB3 ASP 33 2HB ASP 33 -4.109 -13.694 -3.436 192 H LYS 34 H LYS 34 -2.828 -16.999 -2.813 193 HA LYS 34 HA LYS 34 -0.982 -18.642 -4.358 194 HB3 LYS 34 2HB LYS 34 -3.134 -19.495 -2.353 195 HG3 LYS 34 2HG LYS 34 -0.866 -20.803 -3.819 196 HD3 LYS 34 2HD LYS 34 0.010 -20.903 -1.536 197 HE3 LYS 34 2HE LYS 34 -2.693 -22.124 -0.852 198 HZ1 LYS 34 3HZ LYS 34 -1.045 -23.590 0.032 199 HZ2 LYS 34 1HZ LYS 34 -1.589 -22.714 1.281 200 HZ3 LYS 34 2HZ LYS 34 -0.123 -22.398 0.631 201 H GLY 35 H GLY 35 -2.019 -17.755 -6.349 202 HA2 GLY 35 1HA GLY 35 -2.969 -19.499 -8.042 203 HA3 GLY 35 2HA GLY 35 -4.459 -19.265 -7.127 204 H GLY 36 H GLY 36 -3.069 -16.204 -7.117 205 HA2 GLY 36 1HA GLY 36 -3.438 -15.380 -9.834 206 HA3 GLY 36 2HA GLY 36 -5.004 -15.316 -9.029 207 HA PRO 37 HA PRO 37 -3.287 -11.184 -7.919 208 HB3 PRO 37 2HB PRO 37 -3.689 -10.275 -10.050 209 HG3 PRO 37 2HG PRO 37 -5.430 -11.117 -11.420 210 HD3 PRO 37 2HD PRO 37 -4.282 -13.117 -10.993 211 H ALA 38 H ALA 38 -4.188 -10.306 -6.107 212 HA ALA 38 HA ALA 38 -6.391 -11.878 -4.952 213 HB1 ALA 38 1HB ALA 38 -4.267 -11.471 -3.710 214 HB2 ALA 38 2HB ALA 38 -4.613 -9.723 -3.739 215 HB3 ALA 38 3HB ALA 38 -5.686 -10.850 -2.846 216 H LYS 39 H LYS 39 -8.361 -11.141 -5.761 217 HA LYS 39 HA LYS 39 -9.146 -8.693 -6.646 218 HB3 LYS 39 2HB LYS 39 -11.438 -9.112 -6.038 219 HG3 LYS 39 2HG LYS 39 -10.159 -11.786 -6.670 220 HD3 LYS 39 2HD LYS 39 -12.861 -10.720 -7.594 221 HE3 LYS 39 2HE LYS 39 -11.341 -13.266 -7.478 222 HZ1 LYS 39 3HZ LYS 39 -13.364 -14.595 -7.283 223 HZ2 LYS 39 1HZ LYS 39 -14.266 -13.234 -7.070 224 HZ3 LYS 39 2HZ LYS 39 -13.170 -13.682 -5.929 225 H LEU 40 H LEU 40 -9.240 -6.607 -5.729 226 HA LEU 40 HA LEU 40 -8.727 -6.378 -2.831 227 HB3 LEU 40 2HB LEU 40 -8.485 -3.990 -3.267 228 HG LEU 40 HG LEU 40 -6.733 -3.724 -4.828 229 HD11 LEU 40 1HD1 LEU 40 -6.166 -4.895 -2.724 230 HD12 LEU 40 2HD1 LEU 40 -5.089 -5.344 -4.059 231 HD13 LEU 40 3HD1 LEU 40 -6.372 -6.452 -3.549 232 HD21 LEU 40 3HD2 LEU 40 -6.966 -6.430 -6.025 233 HD22 LEU 40 1HD2 LEU 40 -6.037 -5.021 -6.542 234 HD23 LEU 40 2HD2 LEU 40 -7.789 -4.985 -6.697 235 H TYR 41 H TYR 41 -10.080 -5.015 -1.454 236 HA TYR 41 HA TYR 41 -12.938 -5.005 -2.263 237 HB3 TYR 41 2HB TYR 41 -13.422 -5.530 0.132 238 HD1 TYR 41 2HD TYR 41 -10.646 -7.680 -1.305 239 HD2 TYR 41 1HD TYR 41 -14.800 -7.352 -0.272 240 HE1 TYR 41 2HE TYR 41 -10.999 -10.004 -2.009 241 HE2 TYR 41 1HE TYR 41 -15.176 -9.687 -0.963 242 HH TYR 41 HH TYR 41 -14.099 -11.685 -1.575 243 H ASN 42 H ASN 42 -14.182 -3.426 -1.547 244 HA ASN 42 HA ASN 42 -12.838 -0.887 -0.926 245 HB3 ASN 42 2HB ASN 42 -14.739 -1.033 -2.616 246 HD21 ASN 42 1HD2 ASN 42 -16.240 -3.082 -2.050 247 HD22 ASN 42 2HD2 ASN 42 -17.768 -2.590 -1.401 248 H ASP 43 H ASP 43 -14.141 0.540 0.659 249 HA ASP 43 HA ASP 43 -13.659 -0.747 3.195 250 HB3 ASP 43 2HB ASP 43 -14.551 2.063 2.957 251 H LYS 44 H LYS 44 -16.348 -0.954 1.484 252 HA LYS 44 HA LYS 44 -18.090 -1.233 3.886 253 HB3 LYS 44 2HB LYS 44 -19.960 -1.376 2.383 254 HG3 LYS 44 2HG LYS 44 -18.575 1.015 1.217 255 HD3 LYS 44 2HD LYS 44 -20.321 2.298 2.251 256 HE3 LYS 44 2HE LYS 44 -22.280 1.643 1.206 257 HZ1 LYS 44 3HZ LYS 44 -20.505 1.771 -0.421 258 HZ2 LYS 44 1HZ LYS 44 -21.653 0.712 -0.890 259 HZ3 LYS 44 2HZ LYS 44 -20.211 0.166 -0.300 260 H GLY 45 H GLY 45 -15.879 -3.009 2.114 261 HA2 GLY 45 1HA GLY 45 -15.313 -5.093 2.778 262 HA3 GLY 45 2HA GLY 45 -16.943 -5.422 3.361 263 H GLU 46 H GLU 46 -17.057 -4.243 0.150 264 HA GLU 46 HA GLU 46 -17.319 -7.027 -0.902 265 HB3 GLU 46 2HB GLU 46 -18.682 -5.993 -2.655 266 HG3 GLU 46 2HG GLU 46 -19.836 -4.877 -0.103 267 H TYR 47 H TYR 47 -16.426 -7.569 -2.994 268 HA TYR 47 HA TYR 47 -13.843 -6.396 -3.408 269 HB3 TYR 47 2HB TYR 47 -14.621 -8.850 -3.816 270 HD1 TYR 47 2HD TYR 47 -17.023 -9.072 -4.755 271 HD2 TYR 47 1HD TYR 47 -13.661 -7.801 -7.161 272 HE1 TYR 47 2HE TYR 47 -18.375 -9.369 -6.803 273 HE2 TYR 47 1HE TYR 47 -15.011 -8.070 -9.201 274 HH TYR 47 HH TYR 47 -17.575 -7.886 -9.669 275 H ILE 48 H ILE 48 -13.095 -5.234 -5.308 276 HA ILE 48 HA ILE 48 -15.184 -4.165 -7.140 277 HB ILE 48 HB ILE 48 -14.022 -1.876 -6.953 278 HG13 ILE 48 2HG1 ILE 48 -12.169 -2.856 -5.396 279 HG21 ILE 48 1HG2 ILE 48 -15.650 -2.698 -4.543 280 HG22 ILE 48 2HG2 ILE 48 -15.597 -1.114 -5.341 281 HG23 ILE 48 3HG2 ILE 48 -16.346 -2.476 -6.171 282 HD11 ILE 48 3HD1 ILE 48 -12.064 -0.743 -4.071 283 HD12 ILE 48 1HD1 ILE 48 -12.257 -0.476 -5.815 284 HD13 ILE 48 2HD1 ILE 48 -13.635 -0.267 -4.707 285 H GLY 49 H GLY 49 -12.273 -5.805 -7.086 286 HA2 GLY 49 1HA GLY 49 -12.009 -6.043 -9.758 287 HA3 GLY 49 2HA GLY 49 -11.077 -4.560 -9.418 288 H ASP 50 H ASP 50 -9.370 -6.323 -10.249 289 HA ASP 50 HA ASP 50 -8.061 -7.239 -7.749 290 HB3 ASP 50 2HB ASP 50 -8.914 -9.205 -8.903 291 H SER 51 H SER 51 -7.941 -5.054 -10.104 292 HA SER 51 HA SER 51 -5.521 -4.049 -9.017 293 HB3 SER 51 2HB SER 51 -4.589 -3.363 -11.243 294 HG SER 51 HG SER 51 -3.555 -5.133 -10.527 295 H TYR 52 H TYR 52 -5.758 -1.700 -9.072 296 HA TYR 52 HA TYR 52 -7.047 -0.336 -11.111 297 HB3 TYR 52 2HB TYR 52 -9.224 -0.786 -10.221 298 HD1 TYR 52 1HD TYR 52 -8.031 1.215 -7.293 299 HD2 TYR 52 2HD TYR 52 -9.693 -2.520 -8.666 300 HE1 TYR 52 1HE TYR 52 -8.610 0.638 -4.980 301 HE2 TYR 52 2HE TYR 52 -10.221 -3.143 -6.350 302 HH TYR 52 HH TYR 52 -9.615 -0.908 -3.590 303 H SER 53 H SER 53 -7.280 2.118 -10.176 304 HA SER 53 HA SER 53 -5.255 2.588 -8.096 305 HB3 SER 53 2HB SER 53 -4.300 4.459 -9.375 306 HG SER 53 HG SER 53 -3.558 3.174 -11.261 307 H ALA 54 H ALA 54 -6.456 3.559 -6.503 308 HA ALA 54 HA ALA 54 -8.850 5.155 -7.245 309 HB1 ALA 54 1HB ALA 54 -8.988 3.588 -5.277 310 HB2 ALA 54 2HB ALA 54 -7.726 4.566 -4.474 311 HB3 ALA 54 3HB ALA 54 -9.297 5.283 -4.859 312 H GLN 55 H GLN 55 -9.006 7.370 -6.640 313 HA GLN 55 HA GLN 55 -6.421 8.741 -6.125 314 HB3 GLN 55 2HB GLN 55 -8.899 9.999 -7.345 315 HG3 GLN 55 2HG GLN 55 -5.911 10.548 -7.692 316 HE21 GLN 55 1HE2 GLN 55 -7.082 13.551 -7.789 317 HE22 GLN 55 2HE2 GLN 55 -7.518 13.598 -9.479 318 H ILE 56 H ILE 56 -6.240 9.718 -4.244 319 HA ILE 56 HA ILE 56 -8.342 9.468 -2.249 320 HB ILE 56 HB ILE 56 -5.839 11.154 -1.943 321 HG13 ILE 56 2HG1 ILE 56 -4.513 9.333 -1.259 322 HG21 ILE 56 1HG2 ILE 56 -6.036 10.464 0.432 323 HG22 ILE 56 2HG2 ILE 56 -7.447 11.342 -0.151 324 HG23 ILE 56 3HG2 ILE 56 -7.543 9.595 0.047 325 HD11 ILE 56 3HD1 ILE 56 -6.898 7.516 -1.818 326 HD12 ILE 56 1HD1 ILE 56 -5.237 6.979 -1.541 327 HD13 ILE 56 2HD1 ILE 56 -6.114 7.795 -0.235 328 H ARG 57 H ARG 57 -10.138 10.716 -2.870 329 HA ARG 57 HA ARG 57 -9.679 13.686 -3.094 330 HB3 ARG 57 2HB ARG 57 -11.672 13.928 -4.275 331 HG3 ARG 57 2HG ARG 57 -11.516 12.730 -6.299 332 HD3 ARG 57 2HD ARG 57 -9.174 12.423 -6.850 333 HE ARG 57 HE ARG 57 -9.918 14.759 -6.703 334 HH11 ARG 57 1HH1 ARG 57 -7.414 13.814 -4.227 335 HH12 ARG 57 2HH1 ARG 57 -6.622 15.348 -4.425 336 HH21 ARG 57 1HH2 ARG 57 -8.729 16.657 -6.851 337 HH22 ARG 57 2HH2 ARG 57 -7.339 16.923 -5.827 338 H THR 58 H THR 58 -9.749 11.964 -0.667 339 HA THR 58 HA THR 58 -12.001 13.243 0.754 340 HB THR 58 HB THR 58 -12.278 11.005 1.916 341 HG1 THR 58 1HG THR 58 -10.882 9.574 1.416 342 HG21 THR 58 3HG2 THR 58 -13.848 11.807 0.181 343 HG22 THR 58 1HG2 THR 58 -13.710 10.041 0.221 344 HG23 THR 58 2HG2 THR 58 -12.905 10.968 -1.064 345 H ALA 59 H ALA 59 -11.566 13.481 3.070 346 HA ALA 59 HA ALA 59 -8.886 14.100 3.667 347 HB1 ALA 59 1HB ALA 59 -11.140 13.490 5.630 348 HB2 ALA 59 2HB ALA 59 -9.678 14.456 5.912 349 HB3 ALA 59 3HB ALA 59 -10.897 15.043 4.786 350 H THR 60 H THR 60 -10.493 10.938 3.876 351 HA THR 60 HA THR 60 -7.932 9.843 4.074 352 HB THR 60 HB THR 60 -8.116 10.097 6.461 353 HG1 THR 60 1HG THR 60 -8.128 7.767 7.062 354 HG21 THR 60 3HG2 THR 60 -10.637 8.427 6.418 355 HG22 THR 60 1HG2 THR 60 -10.519 10.164 6.825 356 HG23 THR 60 2HG2 THR 60 -9.703 8.964 7.843 357 H MET 61 H MET 61 -8.112 7.379 4.045 358 HA MET 61 HA MET 61 -10.324 6.335 2.423 359 HB3 MET 61 2HB MET 61 -7.456 5.967 1.532 360 HG3 MET 61 2HG MET 61 -8.706 6.738 -0.617 361 HE1 MET 61 3HE MET 61 -6.941 5.013 -1.361 362 HE2 MET 61 1HE MET 61 -6.713 4.392 0.288 363 HE3 MET 61 2HE MET 61 -7.025 3.263 -1.045 364 H SER 62 H SER 62 -9.910 3.964 2.071 365 HA SER 62 HA SER 62 -7.630 2.734 3.019 366 HB3 SER 62 2HB SER 62 -8.432 1.215 4.682 367 HG SER 62 HG SER 62 -8.686 3.837 5.139 368 H CYS 63 H CYS 63 -7.576 0.449 2.292 369 HA CYS 63 HA CYS 63 -9.879 -0.648 0.841 370 HB3 CYS 63 2HB CYS 63 -8.380 -1.356 -1.053 371 HG CYS 63 HG CYS 63 -10.049 0.558 -1.530 372 H CYS 64 H CYS 64 -9.800 -2.970 1.038 373 HA CYS 64 HA CYS 64 -7.452 -4.135 2.401 374 HB3 CYS 64 2HB CYS 64 -9.159 -3.785 4.159 375 HG CYS 64 HG CYS 64 -11.371 -5.175 4.350 376 H THR 65 H THR 65 -8.142 -6.714 2.488 377 HA THR 65 HA THR 65 -8.554 -7.451 -0.354 378 HB THR 65 HB THR 65 -6.692 -9.058 -0.011 379 HG1 THR 65 1HG THR 65 -6.713 -9.434 2.087 380 HG21 THR 65 3HG2 THR 65 -6.421 -6.628 -0.844 381 HG22 THR 65 1HG2 THR 65 -4.955 -7.344 -0.219 382 HG23 THR 65 2HG2 THR 65 -5.862 -6.230 0.795 383 H ASN 66 H ASN 66 -8.626 -10.029 -0.293 384 HA ASN 66 HA ASN 66 -10.626 -10.939 1.679 385 HB3 ASN 66 2HB ASN 66 -10.926 -11.843 -0.520 386 HD21 ASN 66 1HD2 ASN 66 -10.218 -13.856 -1.831 387 HD22 ASN 66 2HD2 ASN 66 -8.557 -13.685 -2.470 388 H GLY 67 H GLY 67 -9.732 -13.222 2.591 389 HA2 GLY 67 1HA GLY 67 -7.028 -12.815 3.748 390 HA3 GLY 67 2HA GLY 67 -8.269 -13.927 4.329 391 H ASN 68 H ASN 68 -6.959 -13.375 0.995 392 HA ASN 68 HA ASN 68 -5.461 -15.865 1.081 393 HB3 ASN 68 2HB ASN 68 -7.721 -15.445 -0.912 394 HD21 ASN 68 1HD2 ASN 68 -7.308 -16.146 -3.025 395 HD22 ASN 68 2HD2 ASN 68 -5.882 -17.020 -3.497 396 H ALA 69 H ALA 69 -3.713 -14.418 1.052 397 HA ALA 69 HA ALA 69 -2.884 -13.455 -1.522 398 HB1 ALA 69 1HB ALA 69 -4.302 -11.565 -0.942 399 HB2 ALA 69 2HB ALA 69 -3.606 -11.494 0.682 400 HB3 ALA 69 3HB ALA 69 -2.614 -11.078 -0.730 401 H PHE 70 H PHE 70 -0.755 -12.200 -1.126 402 HA PHE 70 HA PHE 70 0.709 -13.190 1.278 403 HB3 PHE 70 2HB PHE 70 2.713 -13.496 -0.261 404 HD1 PHE 70 2HD PHE 70 1.640 -15.174 1.639 405 HD2 PHE 70 1HD PHE 70 0.839 -15.286 -2.603 406 HE1 PHE 70 2HE PHE 70 0.728 -17.403 1.916 407 HE2 PHE 70 1HE PHE 70 0.150 -17.651 -2.376 408 HZ PHE 70 HZ PHE 70 -0.039 -18.703 -0.104 409 H PHE 71 H PHE 71 -0.041 -10.478 -0.706 410 HA PHE 71 HA PHE 71 1.293 -8.784 1.110 411 HB3 PHE 71 2HB PHE 71 3.181 -9.425 -0.560 412 HD1 PHE 71 1HD PHE 71 1.988 -10.492 -2.639 413 HD2 PHE 71 2HD PHE 71 2.568 -6.249 -2.087 414 HE1 PHE 71 1HE PHE 71 1.735 -10.110 -5.091 415 HE2 PHE 71 2HE PHE 71 2.252 -5.890 -4.517 416 HZ PHE 71 HZ PHE 71 1.855 -7.823 -6.025 417 H MET 72 H MET 72 0.825 -6.457 0.401 418 HA MET 72 HA MET 72 -1.093 -6.106 -1.763 419 HB3 MET 72 2HB MET 72 -1.416 -5.074 1.080 420 HG3 MET 72 2HG MET 72 -3.317 -4.763 -1.263 421 HE1 MET 72 3HE MET 72 -5.063 -2.054 -0.139 422 HE2 MET 72 1HE MET 72 -5.257 -3.487 -1.177 423 HE3 MET 72 2HE MET 72 -6.303 -3.271 0.236 424 H THR 73 H THR 73 -0.875 -3.812 -2.504 425 HA THR 73 HA THR 73 1.493 -2.380 -1.461 426 HB THR 73 HB THR 73 2.342 -3.677 -3.306 427 HG1 THR 73 1HG THR 73 2.994 -1.930 -4.641 428 HG21 THR 73 3HG2 THR 73 0.326 -4.189 -4.575 429 HG22 THR 73 1HG2 THR 73 1.480 -3.374 -5.614 430 HG23 THR 73 2HG2 THR 73 0.095 -2.466 -4.984 431 H CYS 74 H CYS 74 1.606 -0.197 -2.235 432 HA CYS 74 HA CYS 74 -0.679 0.974 -3.428 433 HB3 CYS 74 2HB CYS 74 -0.062 2.458 -0.921 434 HG CYS 74 HG CYS 74 -2.274 1.869 -3.194 435 H ALA 75 H ALA 75 0.495 1.936 -5.031 436 HA ALA 75 HA ALA 75 2.728 3.749 -4.321 437 HB1 ALA 75 1HB ALA 75 3.829 1.658 -4.898 438 HB2 ALA 75 2HB ALA 75 2.769 1.427 -6.296 439 HB3 ALA 75 3HB ALA 75 3.965 2.737 -6.305 440 H GLY 76 H GLY 76 2.728 5.620 -5.694 441 HA2 GLY 76 1HA GLY 76 0.452 5.836 -7.605 442 HA3 GLY 76 2HA GLY 76 0.430 6.609 -6.002 443 H SER 77 H SER 77 0.171 8.630 -7.057 444 HA SER 77 HA SER 77 2.734 9.866 -6.916 445 HB3 SER 77 2HB SER 77 2.755 9.608 -9.289 446 HG SER 77 HG SER 77 1.198 10.036 -10.620 447 H VAL 78 H VAL 78 2.454 12.271 -6.759 448 HA VAL 78 HA VAL 78 -0.248 13.204 -6.065 449 HB VAL 78 HB VAL 78 0.656 12.683 -3.931 450 HG11 VAL 78 1HG1 VAL 78 3.257 14.058 -4.684 451 HG12 VAL 78 2HG1 VAL 78 2.833 13.484 -3.073 452 HG13 VAL 78 3HG1 VAL 78 3.022 12.329 -4.376 453 HG21 VAL 78 3HG2 VAL 78 0.914 14.782 -2.767 454 HG22 VAL 78 1HG2 VAL 78 1.290 15.644 -4.271 455 HG23 VAL 78 2HG2 VAL 78 -0.333 14.971 -4.004 456 H SER 79 H SER 79 -0.523 15.438 -6.708 457 HA SER 79 HA SER 79 1.883 16.967 -7.421 458 HB3 SER 79 2HB SER 79 1.145 17.438 -9.743 459 HG SER 79 HG SER 79 1.976 15.013 -8.885 460 H SER 80 H SER 80 1.321 19.217 -8.127 461 HA SER 80 HA SER 80 -1.432 20.117 -7.675 462 HB3 SER 80 2HB SER 80 0.992 21.184 -6.180 463 HG SER 80 HG SER 80 -0.805 22.787 -5.587 464 H ILE 81 H ILE 81 -1.914 21.883 -8.998 465 HA ILE 81 HA ILE 81 0.195 23.024 -10.699 466 HB ILE 81 HB ILE 81 -1.470 23.164 -12.451 467 HG13 ILE 81 2HG1 ILE 81 -3.578 22.366 -12.502 468 HG21 ILE 81 1HG2 ILE 81 0.077 21.345 -12.559 469 HG22 ILE 81 2HG2 ILE 81 -0.904 20.326 -11.506 470 HG23 ILE 81 3HG2 ILE 81 -1.500 20.752 -13.103 471 HD11 ILE 81 3HD1 ILE 81 -3.214 20.668 -10.041 472 HD12 ILE 81 1HD1 ILE 81 -4.728 20.928 -10.926 473 HD13 ILE 81 2HD1 ILE 81 -3.389 20.086 -11.716 474 H SER 82 H SER 82 -0.666 23.800 -8.040 475 HA SER 82 HA SER 82 -2.450 26.101 -8.511 476 HB3 SER 82 2HB SER 82 -1.636 25.068 -5.797 477 HG SER 82 HG SER 82 -4.197 25.945 -6.647 478 H GLU 83 H GLU 83 -1.916 27.623 -6.535 479 HA GLU 83 HA GLU 83 0.444 29.129 -7.239 480 HB3 GLU 83 2HB GLU 83 -0.304 30.729 -5.669 481 HG3 GLU 83 2HG GLU 83 -2.890 29.400 -6.602 482 H ALA 84 H ALA 84 2.053 29.754 -5.683 483 HA ALA 84 HA ALA 84 3.320 27.863 -4.021 484 HB1 ALA 84 1HB ALA 84 3.422 30.910 -4.046 485 HB2 ALA 84 2HB ALA 84 4.588 29.862 -3.225 486 HB3 ALA 84 3HB ALA 84 4.452 29.836 -5.001 487 H GLY 85 H GLY 85 3.651 28.028 -1.718 488 HA2 GLY 85 1HA GLY 85 3.159 28.547 0.463 489 HA3 GLY 85 2HA GLY 85 1.864 29.618 -0.058 490 H LYS 86 H LYS 86 1.033 26.882 -1.643 491 HA LYS 86 HA LYS 86 -0.967 25.987 0.287 492 HB3 LYS 86 2HB LYS 86 -1.432 24.241 -1.383 493 HG3 LYS 86 2HG LYS 86 -1.771 25.535 -3.486 494 HD3 LYS 86 2HD LYS 86 -2.732 27.278 -1.206 495 HE3 LYS 86 2HE LYS 86 -3.829 26.162 -3.815 496 HZ1 LYS 86 3HZ LYS 86 -5.477 25.911 -2.036 497 HZ2 LYS 86 1HZ LYS 86 -5.983 26.897 -3.207 498 HZ3 LYS 86 2HZ LYS 86 -5.470 27.517 -1.758 499 H ARG 87 H ARG 87 -0.921 23.783 1.244 500 HA ARG 87 HA ARG 87 1.778 22.579 1.513 501 HB3 ARG 87 2HB ARG 87 1.471 22.471 3.956 502 HG3 ARG 87 2HG ARG 87 1.120 25.370 3.080 503 HD3 ARG 87 2HD ARG 87 2.920 25.690 4.838 504 HE ARG 87 HE ARG 87 0.500 26.112 5.332 505 HH11 ARG 87 1HH1 ARG 87 2.048 23.397 6.965 506 HH12 ARG 87 2HH1 ARG 87 1.053 23.522 8.368 507 HH21 ARG 87 1HH2 ARG 87 -0.636 26.400 7.232 508 HH22 ARG 87 2HH2 ARG 87 -0.358 25.397 8.641 509 H LEU 88 H LEU 88 1.603 20.326 2.488 510 HA LEU 88 HA LEU 88 -1.044 19.079 2.264 511 HB3 LEU 88 2HB LEU 88 1.272 18.266 0.450 512 HG LEU 88 HG LEU 88 -0.544 16.582 1.032 513 HD11 LEU 88 1HD1 LEU 88 -2.236 18.384 -0.764 514 HD12 LEU 88 2HD1 LEU 88 -2.540 18.177 0.940 515 HD13 LEU 88 3HD1 LEU 88 -2.740 16.804 -0.172 516 HD21 LEU 88 3HD2 LEU 88 -0.028 17.331 -1.820 517 HD22 LEU 88 1HD2 LEU 88 -0.894 15.867 -1.346 518 HD23 LEU 88 2HD2 LEU 88 0.768 16.115 -0.824 519 H HIS 89 H HIS 89 -1.063 17.184 3.641 520 HA HIS 89 HA HIS 89 1.506 16.146 4.577 521 HB3 HIS 89 2HB HIS 89 -0.772 16.765 6.452 522 HD1 HIS 89 1HD HIS 89 2.665 17.477 7.551 523 HD2 HIS 89 2HD HIS 89 0.257 14.039 7.137 524 HE1 HIS 89 1HE HIS 89 3.616 15.731 9.181 525 H ILE 90 H ILE 90 1.183 14.435 3.191 526 HA ILE 90 HA ILE 90 -1.143 12.696 3.258 527 HB ILE 90 HB ILE 90 1.651 12.479 2.043 528 HG13 ILE 90 2HG1 ILE 90 0.706 12.990 -0.093 529 HG21 ILE 90 1HG2 ILE 90 0.869 10.220 2.277 530 HG22 ILE 90 2HG2 ILE 90 -0.749 10.653 1.702 531 HG23 ILE 90 3HG2 ILE 90 0.620 10.677 0.573 532 HD11 ILE 90 3HD1 ILE 90 -1.596 13.891 -0.322 533 HD12 ILE 90 1HD1 ILE 90 -1.544 12.144 -0.034 534 HD13 ILE 90 2HD1 ILE 90 -1.992 13.262 1.283 535 H THR 91 H THR 91 -1.317 10.856 4.406 536 HA THR 91 HA THR 91 1.050 9.746 5.841 537 HB THR 91 HB THR 91 -1.795 10.026 6.860 538 HG1 THR 91 1HG THR 91 -0.837 11.854 7.189 539 HG21 THR 91 3HG2 THR 91 -0.870 7.897 7.639 540 HG22 THR 91 1HG2 THR 91 -0.948 9.052 8.970 541 HG23 THR 91 2HG2 THR 91 0.606 8.723 8.181 542 H VAL 92 H VAL 92 1.251 7.537 5.553 543 HA VAL 92 HA VAL 92 -0.899 6.024 4.184 544 HB VAL 92 HB VAL 92 1.292 4.945 3.025 545 HG11 VAL 92 1HG1 VAL 92 0.694 6.205 0.964 546 HG12 VAL 92 2HG1 VAL 92 -0.745 5.684 1.845 547 HG13 VAL 92 3HG1 VAL 92 -0.212 7.376 1.953 548 HG21 VAL 92 3HG2 VAL 92 2.886 6.530 2.166 549 HG22 VAL 92 1HG2 VAL 92 1.973 7.911 2.834 550 HG23 VAL 92 2HG2 VAL 92 2.774 6.803 3.929 551 H ILE 93 H ILE 93 -1.317 4.150 5.285 552 HA ILE 93 HA ILE 93 0.747 3.047 7.115 553 HB ILE 93 HB ILE 93 -2.210 3.444 7.738 554 HG13 ILE 93 2HG1 ILE 93 -0.953 5.646 7.722 555 HG21 ILE 93 1HG2 ILE 93 -1.574 2.744 10.041 556 HG22 ILE 93 2HG2 ILE 93 -1.174 1.492 8.884 557 HG23 ILE 93 3HG2 ILE 93 0.105 2.535 9.518 558 HD11 ILE 93 3HD1 ILE 93 -1.873 4.893 10.502 559 HD12 ILE 93 1HD1 ILE 93 -1.802 6.506 9.782 560 HD13 ILE 93 2HD1 ILE 93 -2.958 5.323 9.163 561 H GLY 94 H GLY 94 0.559 0.747 7.360 562 HA2 GLY 94 1HA GLY 94 -1.380 -0.666 5.602 563 HA3 GLY 94 2HA GLY 94 0.356 -0.915 5.389 564 H TYR 95 H TYR 95 -1.955 -2.673 6.223 565 HA TYR 95 HA TYR 95 -0.925 -3.696 8.795 566 HB3 TYR 95 2HB TYR 95 -3.354 -4.422 9.151 567 HD1 TYR 95 2HD TYR 95 -3.396 -0.868 7.923 568 HD2 TYR 95 1HD TYR 95 -3.051 -3.549 11.318 569 HE1 TYR 95 2HE TYR 95 -3.520 1.061 9.452 570 HE2 TYR 95 1HE TYR 95 -3.186 -1.602 12.851 571 HH TYR 95 HH TYR 95 -2.452 1.246 12.290 572 H ILE 96 H ILE 96 -1.078 -6.093 9.087 573 HA ILE 96 HA ILE 96 -1.969 -7.569 6.644 574 HB ILE 96 HB ILE 96 0.248 -8.433 8.542 575 HG13 ILE 96 2HG1 ILE 96 1.048 -6.635 7.132 576 HG21 ILE 96 1HG2 ILE 96 -0.954 -9.698 6.040 577 HG22 ILE 96 2HG2 ILE 96 0.453 -10.321 6.920 578 HG23 ILE 96 3HG2 ILE 96 -1.108 -10.305 7.705 579 HD11 ILE 96 3HD1 ILE 96 2.059 -9.218 5.884 580 HD12 ILE 96 1HD1 ILE 96 2.898 -7.680 6.045 581 HD13 ILE 96 2HD1 ILE 96 2.556 -8.634 7.497 582 H ASP 97 H ASP 97 -4.024 -8.106 7.281 583 HA ASP 97 HA ASP 97 -5.574 -9.367 8.151 584 HB3 ASP 97 2HB ASP 97 -4.024 -10.675 10.325 585 H ASP 98 H ASP 98 -3.603 -8.526 10.941 586 HA ASP 98 HA ASP 98 -5.678 -6.664 11.990 587 HB3 ASP 98 2HB ASP 98 -4.336 -8.881 13.541 588 H LYS 99 H LYS 99 -2.380 -7.258 11.192 589 HA LYS 99 HA LYS 99 -1.378 -5.706 13.495 590 HB3 LYS 99 2HB LYS 99 -0.741 -7.872 13.361 591 HG3 LYS 99 2HG LYS 99 1.477 -7.415 11.469 592 HD3 LYS 99 2HD LYS 99 0.856 -9.312 13.052 593 HE3 LYS 99 2HE LYS 99 -0.745 -10.181 10.635 594 HZ1 LYS 99 3HZ LYS 99 -0.856 -11.550 13.200 595 HZ2 LYS 99 1HZ LYS 99 0.482 -11.842 12.259 596 HZ3 LYS 99 2HZ LYS 99 -1.070 -12.153 11.730 597 H GLU 100 H GLU 100 -0.264 -3.792 13.280 598 HA GLU 100 HA GLU 100 -0.130 -2.583 10.597 599 HB3 GLU 100 2HB GLU 100 0.886 -1.295 13.154 600 HG3 GLU 100 2HG GLU 100 -0.472 -0.227 10.623 601 H VAL 101 H VAL 101 1.693 -2.775 9.347 602 HA VAL 101 HA VAL 101 4.313 -3.323 10.718 603 HB VAL 101 HB VAL 101 4.847 -5.028 9.123 604 HG11 VAL 101 1HG1 VAL 101 2.148 -5.607 10.388 605 HG12 VAL 101 2HG1 VAL 101 3.370 -6.799 9.901 606 HG13 VAL 101 3HG1 VAL 101 3.713 -5.679 11.229 607 HG21 VAL 101 3HG2 VAL 101 2.026 -4.733 8.026 608 HG22 VAL 101 1HG2 VAL 101 3.524 -4.265 7.189 609 HG23 VAL 101 2HG2 VAL 101 3.244 -5.950 7.566 610 H ASN 102 H ASN 102 2.752 -1.129 8.679 611 HA ASN 102 HA ASN 102 5.356 -0.162 7.806 612 HB3 ASN 102 2HB ASN 102 3.156 -0.394 5.726 613 HD21 ASN 102 1HD2 ASN 102 5.510 -1.424 3.976 614 HD22 ASN 102 2HD2 ASN 102 6.424 0.006 3.617 615 H ARG 103 H ARG 103 5.324 2.106 7.777 616 HA ARG 103 HA ARG 103 2.957 3.520 7.140 617 HB3 ARG 103 2HB ARG 103 2.206 3.447 9.377 618 HG3 ARG 103 2HG ARG 103 5.109 3.703 10.289 619 HD3 ARG 103 2HD ARG 103 3.965 3.346 12.564 620 HE ARG 103 HE ARG 103 4.367 5.873 11.184 621 HH11 ARG 103 1HH1 ARG 103 3.055 4.510 14.222 622 HH12 ARG 103 2HH1 ARG 103 3.642 5.851 15.162 623 HH21 ARG 103 1HH2 ARG 103 4.826 7.717 12.465 624 HH22 ARG 103 2HH2 ARG 103 4.809 7.576 14.196 625 H LEU 104 H LEU 104 3.430 5.634 6.500 626 HA LEU 104 HA LEU 104 5.826 6.820 7.541 627 HB3 LEU 104 2HB LEU 104 6.729 5.627 5.568 628 HG LEU 104 HG LEU 104 4.664 6.082 4.118 629 HD11 LEU 104 1HD1 LEU 104 5.118 7.937 2.420 630 HD12 LEU 104 2HD1 LEU 104 6.245 8.610 3.607 631 HD13 LEU 104 3HD1 LEU 104 4.524 8.493 3.994 632 HD21 LEU 104 3HD2 LEU 104 6.682 4.841 3.402 633 HD22 LEU 104 1HD2 LEU 104 7.497 6.366 3.014 634 HD23 LEU 104 2HD2 LEU 104 6.094 5.837 2.070 635 H GLU 105 H GLU 105 5.925 9.106 7.014 636 HA GLU 105 HA GLU 105 3.351 10.265 6.241 637 HB3 GLU 105 2HB GLU 105 3.566 11.811 8.172 638 HG3 GLU 105 2HG GLU 105 2.655 9.304 8.524 639 H LYS 106 H LYS 106 3.564 12.478 5.357 640 HA LYS 106 HA LYS 106 6.346 13.389 4.787 641 HB3 LYS 106 2HB LYS 106 5.737 13.658 2.374 642 HG3 LYS 106 2HG LYS 106 5.540 10.832 3.462 643 HD3 LYS 106 2HD LYS 106 5.888 9.972 1.267 644 HE3 LYS 106 2HE LYS 106 3.621 11.781 0.621 645 HZ1 LYS 106 3HZ LYS 106 2.416 9.714 0.579 646 HZ2 LYS 106 1HZ LYS 106 3.680 8.903 1.281 647 HZ3 LYS 106 2HZ LYS 106 3.823 9.540 -0.233 648 H GLU 107 H GLU 107 6.244 15.465 3.571 649 HA GLU 107 HA GLU 107 3.875 17.137 4.021 650 HB3 GLU 107 2HB GLU 107 6.645 17.888 4.933 651 HG3 GLU 107 2HG GLU 107 5.140 19.803 4.163 652 H TYR 108 H TYR 108 3.680 18.571 2.216 653 HA TYR 108 HA TYR 108 6.054 19.083 0.530 654 HB3 TYR 108 2HB TYR 108 4.822 18.865 -1.487 655 HD1 TYR 108 1HD TYR 108 6.475 16.992 -1.696 656 HD2 TYR 108 2HD TYR 108 2.670 16.492 0.195 657 HE1 TYR 108 1HE TYR 108 6.623 14.527 -2.063 658 HE2 TYR 108 2HE TYR 108 2.791 14.067 -0.099 659 HH TYR 108 HH TYR 108 5.613 12.450 -1.632 660 H ILE 109 H ILE 109 5.910 21.221 -0.508 661 HA ILE 109 HA ILE 109 3.662 22.927 0.278 662 HB ILE 109 HB ILE 109 6.602 23.578 0.820 663 HG13 ILE 109 2HG1 ILE 109 5.789 22.047 2.501 664 HG21 ILE 109 1HG2 ILE 109 5.368 25.562 0.070 665 HG22 ILE 109 2HG2 ILE 109 4.123 25.279 1.302 666 HG23 ILE 109 3HG2 ILE 109 5.799 25.710 1.753 667 HD11 ILE 109 3HD1 ILE 109 5.569 24.756 3.805 668 HD12 ILE 109 1HD1 ILE 109 6.052 23.219 4.536 669 HD13 ILE 109 2HD1 ILE 109 7.118 24.002 3.349 670 H THR 110 H THR 110 3.246 24.477 -1.428 671 HA THR 110 HA THR 110 4.773 24.050 -3.919 672 HB THR 110 HB THR 110 3.095 25.865 -4.738 673 HG1 THR 110 1HG THR 110 1.395 26.203 -3.600 674 HG21 THR 110 3HG2 THR 110 1.239 24.229 -4.935 675 HG22 THR 110 1HG2 THR 110 2.023 23.173 -3.727 676 HG23 THR 110 2HG2 THR 110 2.794 23.488 -5.301 677 H ASP 111 H ASP 111 5.987 25.622 -4.947 678 HA ASP 111 HA ASP 111 6.148 28.273 -3.712 679 HB3 ASP 111 2HB ASP 111 8.758 26.957 -4.482 680 H GLY 112 H GLY 112 4.848 27.083 -6.117 681 HA2 GLY 112 1HA GLY 112 4.123 28.636 -7.724 682 HA3 GLY 112 2HA GLY 112 5.775 29.222 -7.962 683 H ASN 113 H ASN 113 6.713 26.323 -7.917 684 HA ASN 113 HA ASN 113 6.566 25.816 -10.786 685 HB3 ASN 113 2HB ASN 113 8.159 24.026 -10.255 686 HD21 ASN 113 1HD2 ASN 113 8.944 25.781 -7.354 687 HD22 ASN 113 2HD2 ASN 113 9.884 27.085 -8.069 688 H THR 114 H THR 114 6.052 23.411 -11.484 689 HA THR 114 HA THR 114 3.473 22.606 -10.434 690 HB THR 114 HB THR 114 5.293 20.763 -12.028 691 HG1 THR 114 1HG THR 114 4.378 21.612 -13.876 692 HG21 THR 114 3HG2 THR 114 2.278 21.203 -11.961 693 HG22 THR 114 1HG2 THR 114 3.139 19.899 -11.127 694 HG23 THR 114 2HG2 THR 114 3.126 19.954 -12.893 695 H LEU 115 H LEU 115 3.292 21.657 -8.413 696 HA LEU 115 HA LEU 115 5.624 20.318 -7.222 697 HB3 LEU 115 2HB LEU 115 2.783 20.051 -6.185 698 HG LEU 115 HG LEU 115 5.583 19.644 -5.183 699 HD11 LEU 115 1HD1 LEU 115 4.818 21.686 -4.001 700 HD12 LEU 115 2HD1 LEU 115 5.217 20.337 -2.978 701 HD13 LEU 115 3HD1 LEU 115 3.502 20.741 -3.270 702 HD21 LEU 115 3HD2 LEU 115 4.463 17.997 -3.688 703 HD22 LEU 115 1HD2 LEU 115 4.143 17.681 -5.381 704 HD23 LEU 115 2HD2 LEU 115 2.893 18.432 -4.397 705 H ILE 116 H ILE 116 5.932 18.052 -7.166 706 HA ILE 116 HA ILE 116 3.864 16.262 -7.990 707 HB ILE 116 HB ILE 116 6.451 16.404 -9.614 708 HG13 ILE 116 2HG1 ILE 116 4.920 18.044 -10.350 709 HG21 ILE 116 1HG2 ILE 116 4.186 14.342 -9.698 710 HG22 ILE 116 2HG2 ILE 116 5.506 14.441 -10.874 711 HG23 ILE 116 3HG2 ILE 116 5.876 14.044 -9.223 712 HD11 ILE 116 3HD1 ILE 116 4.612 17.598 -12.578 713 HD12 ILE 116 1HD1 ILE 116 5.960 16.527 -12.136 714 HD13 ILE 116 2HD1 ILE 116 4.310 15.864 -12.301 715 H GLU 117 H GLU 117 4.469 14.188 -7.191 716 HA GLU 117 HA GLU 117 7.097 13.507 -6.608 717 HB3 GLU 117 2HB GLU 117 6.200 13.128 -3.951 718 HG3 GLU 117 2HG GLU 117 8.102 14.897 -3.629 719 H THR 118 H THR 118 7.227 11.196 -5.504 720 HA THR 118 HA THR 118 4.693 9.738 -5.775 721 HB THR 118 HB THR 118 5.734 7.978 -7.087 722 HG1 THR 118 1HG THR 118 7.787 9.061 -8.221 723 HG21 THR 118 3HG2 THR 118 6.176 10.572 -8.615 724 HG22 THR 118 1HG2 THR 118 4.583 9.916 -8.234 725 HG23 THR 118 2HG2 THR 118 5.683 8.975 -9.235 726 H PHE 119 H PHE 119 4.609 7.878 -4.559 727 HA PHE 119 HA PHE 119 6.785 7.251 -2.658 728 HB3 PHE 119 2HB PHE 119 5.520 8.923 -1.468 729 HD1 PHE 119 1HD PHE 119 2.897 6.246 -1.439 730 HD2 PHE 119 2HD PHE 119 3.833 10.337 -2.515 731 HE1 PHE 119 1HE PHE 119 0.531 6.650 -1.996 732 HE2 PHE 119 2HE PHE 119 1.431 10.708 -3.090 733 HZ PHE 119 HZ PHE 119 -0.196 8.835 -2.881 734 H SER 120 H SER 120 5.899 5.226 -1.239 735 HA SER 120 HA SER 120 4.175 3.411 -2.699 736 HB3 SER 120 2HB SER 120 5.852 3.264 -4.342 737 HG SER 120 HG SER 120 8.101 2.747 -3.548 738 H VAL 121 H VAL 121 3.343 2.143 -1.163 739 HA VAL 121 HA VAL 121 4.995 1.334 1.179 740 HB VAL 121 HB VAL 121 2.337 2.779 1.077 741 HG11 VAL 121 1HG1 VAL 121 2.391 2.509 3.653 742 HG12 VAL 121 2HG1 VAL 121 1.814 1.166 2.676 743 HG13 VAL 121 3HG1 VAL 121 3.472 1.129 3.328 744 HG21 VAL 121 3HG2 VAL 121 4.313 4.231 1.169 745 HG22 VAL 121 1HG2 VAL 121 3.524 4.255 2.749 746 HG23 VAL 121 2HG2 VAL 121 4.974 3.279 2.513 747 H SER 122 H SER 122 5.262 -0.730 0.473 748 HA SER 122 HA SER 122 2.926 -2.445 -0.125 749 HB3 SER 122 2HB SER 122 4.496 -4.090 -0.797 750 HG SER 122 HG SER 122 6.183 -2.796 -1.948 751 H THR 123 H THR 123 2.580 -4.415 1.313 752 HA THR 123 HA THR 123 3.529 -3.871 4.076 753 HB THR 123 HB THR 123 1.899 -6.130 4.169 754 HG1 THR 123 1HG THR 123 0.235 -4.498 2.784 755 HG21 THR 123 3HG2 THR 123 1.873 -4.129 5.645 756 HG22 THR 123 1HG2 THR 123 0.276 -4.720 5.184 757 HG23 THR 123 2HG2 THR 123 0.944 -3.268 4.417 758 H LYS 124 H LYS 124 4.918 -5.536 1.531 759 HA LYS 124 HA LYS 124 6.217 -7.501 3.251 760 HB3 LYS 124 2HB LYS 124 4.715 -8.529 0.870 761 HG3 LYS 124 2HG LYS 124 4.244 -10.384 2.697 762 HD3 LYS 124 2HD LYS 124 7.024 -10.246 1.486 763 HE3 LYS 124 2HE LYS 124 5.012 -12.504 1.975 764 HZ1 LYS 124 3HZ LYS 124 6.630 -12.935 0.204 765 HZ2 LYS 124 1HZ LYS 124 6.989 -13.871 1.527 766 HZ3 LYS 124 2HZ LYS 124 7.863 -12.543 1.245 767 H GLU 125 H GLU 125 8.295 -7.621 2.413 768 HA GLU 125 HA GLU 125 8.965 -7.559 -0.390 769 HB3 GLU 125 2HB GLU 125 10.230 -5.143 0.691 770 HG3 GLU 125 2HG GLU 125 8.505 -5.877 -1.660 771 H ILE 126 H ILE 126 10.916 -8.680 -0.557 772 HA ILE 126 HA ILE 126 12.589 -8.948 1.837 773 HB ILE 126 HB ILE 126 13.825 -10.575 0.701 774 HG13 ILE 126 2HG1 ILE 126 12.671 -9.512 -1.845 775 HG21 ILE 126 1HG2 ILE 126 10.882 -11.051 0.098 776 HG22 ILE 126 2HG2 ILE 126 12.138 -12.286 0.282 777 HG23 ILE 126 3HG2 ILE 126 11.700 -11.275 1.662 778 HD11 ILE 126 3HD1 ILE 126 14.841 -10.280 -2.720 779 HD12 ILE 126 1HD1 ILE 126 15.121 -9.327 -1.253 780 HD13 ILE 126 2HD1 ILE 126 15.193 -11.097 -1.186 Start of MODEL 10 1 H1 GLY 1 H GLY 1 14.808 -26.587 7.861 2 HA2 GLY 1 1HA GLY 1 12.423 -25.999 8.051 3 HA3 GLY 1 2HA GLY 1 13.214 -26.103 9.635 4 H ALA 2 H ALA 2 12.139 -23.838 7.119 5 HA ALA 2 HA ALA 2 12.494 -21.444 8.815 6 HB1 ALA 2 1HB ALA 2 12.851 -21.281 6.394 7 HB2 ALA 2 2HB ALA 2 11.218 -21.922 6.085 8 HB3 ALA 2 3HB ALA 2 11.435 -20.346 6.861 9 H SER 3 H SER 3 10.405 -20.116 9.158 10 HA SER 3 HA SER 3 7.944 -21.753 9.382 11 HB3 SER 3 2HB SER 3 9.259 -20.467 11.809 12 HG SER 3 HG SER 3 6.906 -20.662 11.615 13 H ASP 4 H ASP 4 8.984 -19.093 8.042 14 HA ASP 4 HA ASP 4 7.589 -17.036 9.569 15 HB3 ASP 4 2HB ASP 4 9.887 -16.649 9.009 16 H PHE 5 H PHE 5 5.365 -17.532 9.037 17 HA PHE 5 HA PHE 5 4.592 -16.456 6.386 18 HB3 PHE 5 2HB PHE 5 2.727 -17.995 6.263 19 HD1 PHE 5 1HD PHE 5 4.946 -17.831 4.493 20 HD2 PHE 5 2HD PHE 5 4.122 -20.904 7.417 21 HE1 PHE 5 1HE PHE 5 6.366 -19.419 3.235 22 HE2 PHE 5 2HE PHE 5 5.502 -22.491 6.135 23 HZ PHE 5 HZ PHE 5 6.650 -21.758 4.065 24 H GLN 6 H GLN 6 3.963 -14.490 6.978 25 HA GLN 6 HA GLN 6 1.947 -14.100 9.093 26 HB3 GLN 6 2HB GLN 6 3.630 -12.645 9.697 27 HG3 GLN 6 2HG GLN 6 4.133 -12.353 6.764 28 HE21 GLN 6 1HE2 GLN 6 4.848 -10.485 9.911 29 HE22 GLN 6 2HE2 GLN 6 5.201 -9.041 8.973 30 H THR 7 H THR 7 0.077 -14.356 8.209 31 HA THR 7 HA THR 7 -0.814 -13.101 5.671 32 HB THR 7 HB THR 7 -1.870 -15.562 5.331 33 HG1 THR 7 1HG THR 7 -0.308 -17.142 5.955 34 HG21 THR 7 3HG2 THR 7 -0.096 -16.125 3.808 35 HG22 THR 7 1HG2 THR 7 1.012 -14.964 4.596 36 HG23 THR 7 2HG2 THR 7 -0.434 -14.391 3.716 37 H GLY 8 H GLY 8 -3.217 -13.651 5.314 38 HA2 GLY 8 1HA GLY 8 -5.207 -14.268 6.785 39 HA3 GLY 8 2HA GLY 8 -4.642 -12.907 7.788 40 H ILE 9 H ILE 9 -5.413 -10.934 7.132 41 HA ILE 9 HA ILE 9 -6.227 -10.523 4.287 42 HB ILE 9 HB ILE 9 -7.768 -9.683 6.773 43 HG13 ILE 9 2HG1 ILE 9 -7.955 -12.147 6.126 44 HG21 ILE 9 1HG2 ILE 9 -7.915 -8.022 4.874 45 HG22 ILE 9 2HG2 ILE 9 -8.349 -9.346 3.786 46 HG23 ILE 9 3HG2 ILE 9 -9.453 -8.852 5.088 47 HD11 ILE 9 3HD1 ILE 9 -9.830 -10.941 7.214 48 HD12 ILE 9 1HD1 ILE 9 -10.554 -10.692 5.601 49 HD13 ILE 9 2HD1 ILE 9 -10.301 -12.333 6.213 50 H HIS 10 H HIS 10 -4.846 -9.033 3.505 51 HA HIS 10 HA HIS 10 -3.497 -7.075 5.199 52 HB3 HIS 10 2HB HIS 10 -2.821 -6.099 2.994 53 HD1 HIS 10 1HD HIS 10 -0.326 -6.756 3.507 54 HD2 HIS 10 2HD HIS 10 -2.911 -10.001 2.804 55 HE1 HIS 10 1HE HIS 10 1.093 -8.880 3.688 56 H LYS 11 H LYS 11 -3.898 -4.846 5.317 57 HA LYS 11 HA LYS 11 -6.080 -3.682 3.781 58 HB3 LYS 11 2HB LYS 11 -5.941 -3.656 6.818 59 HG3 LYS 11 2HG LYS 11 -6.989 -1.418 5.096 60 HD3 LYS 11 2HD LYS 11 -8.260 -0.576 7.014 61 HE3 LYS 11 2HE LYS 11 -9.519 -3.186 6.103 62 HZ1 LYS 11 3HZ LYS 11 -10.537 -0.400 6.224 63 HZ2 LYS 11 1HZ LYS 11 -10.980 -1.631 7.275 64 HZ3 LYS 11 2HZ LYS 11 -11.394 -1.634 5.717 65 H ILE 12 H ILE 12 -5.724 -1.388 3.497 66 HA ILE 12 HA ILE 12 -3.154 -0.252 4.389 67 HB ILE 12 HB ILE 12 -4.209 -0.407 1.527 68 HG13 ILE 12 2HG1 ILE 12 -2.281 -1.455 0.912 69 HG21 ILE 12 1HG2 ILE 12 -3.751 1.922 1.770 70 HG22 ILE 12 2HG2 ILE 12 -2.180 1.604 2.550 71 HG23 ILE 12 3HG2 ILE 12 -2.455 1.179 0.836 72 HD11 ILE 12 3HD1 ILE 12 -0.481 -0.146 1.758 73 HD12 ILE 12 1HD1 ILE 12 -0.925 -0.494 3.433 74 HD13 ILE 12 2HD1 ILE 12 -0.288 -1.790 2.400 75 H VAL 13 H VAL 13 -3.377 2.028 4.692 76 HA VAL 13 HA VAL 13 -6.121 3.176 4.635 77 HB VAL 13 HB VAL 13 -4.186 2.926 6.981 78 HG11 VAL 13 1HG1 VAL 13 -5.662 4.347 8.309 79 HG12 VAL 13 2HG1 VAL 13 -4.985 5.252 6.954 80 HG13 VAL 13 3HG1 VAL 13 -6.671 4.689 6.889 81 HG21 VAL 13 3HG2 VAL 13 -7.140 2.186 6.771 82 HG22 VAL 13 1HG2 VAL 13 -5.784 1.041 6.699 83 HG23 VAL 13 2HG2 VAL 13 -6.088 1.952 8.176 84 H ILE 14 H ILE 14 -6.056 5.423 4.164 85 HA ILE 14 HA ILE 14 -3.377 6.647 3.844 86 HB ILE 14 HB ILE 14 -5.482 6.692 1.646 87 HG13 ILE 14 2HG1 ILE 14 -4.489 4.421 1.803 88 HG21 ILE 14 1HG2 ILE 14 -2.601 7.705 1.779 89 HG22 ILE 14 2HG2 ILE 14 -3.674 7.800 0.360 90 HG23 ILE 14 3HG2 ILE 14 -4.066 8.717 1.786 91 HD11 ILE 14 3HD1 ILE 14 -5.023 5.386 -0.409 92 HD12 ILE 14 1HD1 ILE 14 -3.306 5.872 -0.561 93 HD13 ILE 14 2HD1 ILE 14 -3.727 4.175 -0.403 94 H GLN 15 H GLN 15 -3.390 8.810 4.366 95 HA GLN 15 HA GLN 15 -6.022 10.088 4.810 96 HB3 GLN 15 2HB GLN 15 -5.520 10.654 7.070 97 HG3 GLN 15 2HG GLN 15 -4.701 7.733 6.708 98 HE21 GLN 15 1HE2 GLN 15 -5.017 6.331 8.505 99 HE22 GLN 15 2HE2 GLN 15 -4.919 6.926 10.112 100 H GLN 16 H GLN 16 -5.745 12.420 5.301 101 HA GLN 16 HA GLN 16 -3.411 13.623 3.890 102 HB3 GLN 16 2HB GLN 16 -5.173 13.260 2.175 103 HG3 GLN 16 2HG GLN 16 -6.780 15.195 3.881 104 HE21 GLN 16 1HE2 GLN 16 -6.815 13.423 0.774 105 HE22 GLN 16 2HE2 GLN 16 -8.039 14.522 0.090 106 H SER 17 H SER 17 -3.046 15.815 4.369 107 HA SER 17 HA SER 17 -5.162 17.315 5.534 108 HB3 SER 17 2HB SER 17 -3.387 18.624 6.958 109 HG SER 17 HG SER 17 -3.826 17.574 8.695 110 H GLY 18 H GLY 18 -4.707 19.671 5.096 111 HA2 GLY 18 1HA GLY 18 -2.939 21.216 4.322 112 HA3 GLY 18 2HA GLY 18 -2.668 20.112 2.974 113 H ASP 19 H ASP 19 -3.073 21.818 1.640 114 HA ASP 19 HA ASP 19 -5.696 23.191 1.478 115 HB3 ASP 19 2HB ASP 19 -4.554 24.380 -0.435 116 H THR 20 H THR 20 -6.436 20.793 1.195 117 HA THR 20 HA THR 20 -5.850 19.224 -1.039 118 HB THR 20 HB THR 20 -7.862 17.937 -0.095 119 HG1 THR 20 1HG THR 20 -9.121 19.064 1.041 120 HG21 THR 20 3HG2 THR 20 -5.664 17.352 0.709 121 HG22 THR 20 1HG2 THR 20 -6.711 17.499 2.128 122 HG23 THR 20 2HG2 THR 20 -5.571 18.785 1.751 123 H ASP 21 H ASP 21 -7.169 22.036 -1.581 124 HA ASP 21 HA ASP 21 -9.526 21.221 -3.206 125 HB3 ASP 21 2HB ASP 21 -8.778 24.067 -3.258 126 H SER 22 H SER 22 -6.183 21.650 -3.581 127 HA SER 22 HA SER 22 -6.241 22.432 -6.422 128 HB3 SER 22 2HB SER 22 -3.999 23.479 -5.255 129 HG SER 22 HG SER 22 -5.959 25.128 -4.579 130 H PHE 23 H PHE 23 -5.983 19.642 -5.328 131 HA PHE 23 HA PHE 23 -3.182 19.033 -6.140 132 HB3 PHE 23 2HB PHE 23 -3.507 19.159 -3.612 133 HD1 PHE 23 1HD PHE 23 -6.534 18.186 -4.267 134 HD2 PHE 23 2HD PHE 23 -3.094 16.355 -2.408 135 HE1 PHE 23 1HE PHE 23 -7.997 16.627 -3.080 136 HE2 PHE 23 2HE PHE 23 -4.593 14.821 -1.182 137 HZ PHE 23 HZ PHE 23 -7.062 14.906 -1.595 138 H GLU 24 H GLU 24 -2.796 16.690 -6.626 139 HA GLU 24 HA GLU 24 -5.145 15.081 -7.460 140 HB3 GLU 24 2HB GLU 24 -3.410 14.373 -9.289 141 HG3 GLU 24 2HG GLU 24 -3.867 16.468 -10.740 142 H VAL 25 H VAL 25 -4.929 13.120 -6.308 143 HA VAL 25 HA VAL 25 -2.199 12.078 -5.859 144 HB VAL 25 HB VAL 25 -4.370 12.033 -3.714 145 HG11 VAL 25 1HG1 VAL 25 -1.445 11.178 -3.705 146 HG12 VAL 25 2HG1 VAL 25 -2.489 11.231 -2.270 147 HG13 VAL 25 3HG1 VAL 25 -2.845 10.110 -3.588 148 HG21 VAL 25 3HG2 VAL 25 -3.613 14.292 -3.879 149 HG22 VAL 25 1HG2 VAL 25 -2.924 13.550 -2.421 150 HG23 VAL 25 2HG2 VAL 25 -1.927 13.786 -3.879 151 H SER 26 H SER 26 -2.261 10.193 -7.075 152 HA SER 26 HA SER 26 -4.724 8.531 -6.937 153 HB3 SER 26 2HB SER 26 -4.570 8.060 -9.196 154 HG SER 26 HG SER 26 -4.396 10.180 -10.211 155 H VAL 27 H VAL 27 -4.369 6.645 -6.105 156 HA VAL 27 HA VAL 27 -1.587 5.523 -5.952 157 HB VAL 27 HB VAL 27 -2.406 4.304 -3.927 158 HG11 VAL 27 1HG1 VAL 27 -2.035 6.221 -2.446 159 HG12 VAL 27 2HG1 VAL 27 -0.955 6.292 -3.842 160 HG13 VAL 27 3HG1 VAL 27 -2.382 7.348 -3.773 161 HG21 VAL 27 3HG2 VAL 27 -4.320 5.091 -2.686 162 HG22 VAL 27 1HG2 VAL 27 -4.673 6.351 -3.877 163 HG23 VAL 27 2HG2 VAL 27 -4.894 4.635 -4.276 164 H SER 28 H SER 28 -1.194 3.567 -6.747 165 HA SER 28 HA SER 28 -3.240 2.088 -8.257 166 HB3 SER 28 2HB SER 28 -0.270 1.584 -7.782 167 HG SER 28 HG SER 28 -1.931 0.696 -9.943 168 H ILE 29 H ILE 29 -4.219 0.314 -7.299 169 HA ILE 29 HA ILE 29 -3.354 -0.467 -4.568 170 HB ILE 29 HB ILE 29 -6.070 0.160 -5.773 171 HG13 ILE 29 2HG1 ILE 29 -4.598 1.924 -4.554 172 HG21 ILE 29 1HG2 ILE 29 -5.522 -1.391 -3.199 173 HG22 ILE 29 2HG2 ILE 29 -7.111 -0.797 -3.681 174 HG23 ILE 29 3HG2 ILE 29 -6.327 -2.007 -4.666 175 HD11 ILE 29 3HD1 ILE 29 -7.075 2.176 -4.747 176 HD12 ILE 29 1HD1 ILE 29 -7.256 1.304 -3.214 177 HD13 ILE 29 2HD1 ILE 29 -6.413 2.858 -3.240 178 H GLY 30 H GLY 30 -2.472 -2.387 -4.757 179 HA2 GLY 30 1HA GLY 30 -3.823 -4.484 -6.278 180 HA3 GLY 30 2HA GLY 30 -2.188 -4.047 -6.831 181 H GLY 31 H GLY 31 -2.370 -6.496 -6.149 182 HA2 GLY 31 1HA GLY 31 -0.479 -7.031 -4.174 183 HA3 GLY 31 2HA GLY 31 -2.088 -7.347 -3.474 184 H ALA 32 H ALA 32 -0.465 -9.556 -3.834 185 HA ALA 32 HA ALA 32 -1.869 -10.958 -6.037 186 HB1 ALA 32 1HB ALA 32 0.073 -12.091 -6.744 187 HB2 ALA 32 2HB ALA 32 0.561 -10.393 -6.664 188 HB3 ALA 32 3HB ALA 32 1.018 -11.538 -5.358 189 H ASP 33 H ASP 33 -1.899 -13.250 -5.757 190 HA ASP 33 HA ASP 33 -1.827 -14.258 -2.994 191 HB3 ASP 33 2HB ASP 33 -4.053 -13.269 -3.455 192 H LYS 34 H LYS 34 -2.743 -16.693 -3.237 193 HA LYS 34 HA LYS 34 -0.846 -17.981 -5.070 194 HB3 LYS 34 2HB LYS 34 -2.786 -19.339 -3.164 195 HG3 LYS 34 2HG LYS 34 -0.585 -20.164 -4.985 196 HD3 LYS 34 2HD LYS 34 0.558 -20.261 -2.733 197 HE3 LYS 34 2HE LYS 34 -1.572 -22.401 -2.269 198 HZ1 LYS 34 3HZ LYS 34 0.886 -21.790 -0.754 199 HZ2 LYS 34 1HZ LYS 34 0.501 -23.216 -1.507 200 HZ3 LYS 34 2HZ LYS 34 -0.331 -22.735 -0.185 201 H GLY 35 H GLY 35 -1.903 -17.059 -6.882 202 HA2 GLY 35 1HA GLY 35 -3.256 -18.844 -8.501 203 HA3 GLY 35 2HA GLY 35 -4.536 -17.939 -7.685 204 H GLY 36 H GLY 36 -3.071 -15.370 -7.521 205 HA2 GLY 36 1HA GLY 36 -2.166 -14.372 -10.030 206 HA3 GLY 36 2HA GLY 36 -3.938 -14.458 -10.026 207 HA PRO 37 HA PRO 37 -2.886 -10.416 -7.997 208 HB3 PRO 37 2HB PRO 37 -3.337 -9.253 -9.949 209 HG3 PRO 37 2HG PRO 37 -4.864 -10.106 -11.569 210 HD3 PRO 37 2HD PRO 37 -3.246 -11.777 -11.197 211 H ALA 38 H ALA 38 -3.879 -9.653 -6.177 212 HA ALA 38 HA ALA 38 -5.791 -11.369 -4.844 213 HB1 ALA 38 1HB ALA 38 -3.939 -10.345 -3.626 214 HB2 ALA 38 2HB ALA 38 -4.471 -8.709 -4.104 215 HB3 ALA 38 3HB ALA 38 -5.463 -9.668 -3.006 216 H LYS 39 H LYS 39 -8.052 -11.185 -5.219 217 HA LYS 39 HA LYS 39 -9.392 -8.873 -6.184 218 HB3 LYS 39 2HB LYS 39 -11.411 -9.909 -5.117 219 HG3 LYS 39 2HG LYS 39 -9.675 -11.732 -6.858 220 HD3 LYS 39 2HD LYS 39 -12.057 -12.451 -7.483 221 HE3 LYS 39 2HE LYS 39 -10.991 -13.298 -4.780 222 HZ1 LYS 39 3HZ LYS 39 -13.130 -14.328 -5.214 223 HZ2 LYS 39 1HZ LYS 39 -11.939 -15.406 -5.346 224 HZ3 LYS 39 2HZ LYS 39 -12.648 -14.830 -6.718 225 H LEU 40 H LEU 40 -9.340 -6.883 -5.337 226 HA LEU 40 HA LEU 40 -9.071 -6.484 -2.466 227 HB3 LEU 40 2HB LEU 40 -8.846 -4.124 -3.067 228 HG LEU 40 HG LEU 40 -6.840 -3.969 -4.026 229 HD11 LEU 40 1HD1 LEU 40 -6.708 -5.490 -2.141 230 HD12 LEU 40 2HD1 LEU 40 -5.427 -5.816 -3.334 231 HD13 LEU 40 3HD1 LEU 40 -6.823 -6.888 -3.244 232 HD21 LEU 40 3HD2 LEU 40 -5.876 -5.520 -5.758 233 HD22 LEU 40 1HD2 LEU 40 -7.151 -4.382 -6.230 234 HD23 LEU 40 2HD2 LEU 40 -7.541 -6.073 -5.958 235 H TYR 41 H TYR 41 -10.370 -4.796 -1.502 236 HA TYR 41 HA TYR 41 -13.199 -4.774 -2.364 237 HB3 TYR 41 2HB TYR 41 -13.693 -5.016 0.137 238 HD1 TYR 41 2HD TYR 41 -11.184 -7.555 -1.159 239 HD2 TYR 41 1HD TYR 41 -15.310 -6.637 -0.332 240 HE1 TYR 41 2HE TYR 41 -11.813 -9.808 -1.852 241 HE2 TYR 41 1HE TYR 41 -15.945 -8.967 -0.862 242 HH TYR 41 HH TYR 41 -14.658 -11.209 -0.758 243 H ASN 42 H ASN 42 -14.227 -2.933 -1.921 244 HA ASN 42 HA ASN 42 -12.577 -0.548 -1.338 245 HB3 ASN 42 2HB ASN 42 -14.415 -0.565 -3.163 246 HD21 ASN 42 1HD2 ASN 42 -16.173 -2.305 -2.600 247 HD22 ASN 42 2HD2 ASN 42 -17.656 -1.521 -2.088 248 H ASP 43 H ASP 43 -13.739 1.105 0.037 249 HA ASP 43 HA ASP 43 -13.421 0.226 2.676 250 HB3 ASP 43 2HB ASP 43 -14.651 2.793 1.844 251 H LYS 44 H LYS 44 -16.266 -0.064 0.861 252 HA LYS 44 HA LYS 44 -18.183 0.025 3.129 253 HB3 LYS 44 2HB LYS 44 -19.790 -0.725 1.326 254 HG3 LYS 44 2HG LYS 44 -19.154 1.454 -0.200 255 HD3 LYS 44 2HD LYS 44 -20.378 1.853 2.551 256 HE3 LYS 44 2HE LYS 44 -20.238 3.784 0.904 257 HZ1 LYS 44 3HZ LYS 44 -20.690 2.601 -1.149 258 HZ2 LYS 44 1HZ LYS 44 -21.939 3.666 -0.887 259 HZ3 LYS 44 2HZ LYS 44 -22.127 2.072 -0.612 260 H GLY 45 H GLY 45 -15.982 -2.163 1.652 261 HA2 GLY 45 1HA GLY 45 -15.530 -4.235 2.283 262 HA3 GLY 45 2HA GLY 45 -17.119 -4.449 3.043 263 H GLU 46 H GLU 46 -17.016 -3.319 -0.310 264 HA GLU 46 HA GLU 46 -17.838 -6.033 -1.235 265 HB3 GLU 46 2HB GLU 46 -18.721 -4.443 -3.232 266 HG3 GLU 46 2HG GLU 46 -20.851 -4.044 -1.827 267 H TYR 47 H TYR 47 -17.080 -6.840 -3.140 268 HA TYR 47 HA TYR 47 -14.341 -6.286 -3.808 269 HB3 TYR 47 2HB TYR 47 -16.511 -8.156 -4.767 270 HD1 TYR 47 1HD TYR 47 -12.780 -8.069 -5.287 271 HD2 TYR 47 2HD TYR 47 -16.683 -8.313 -7.087 272 HE1 TYR 47 1HE TYR 47 -11.745 -8.573 -7.489 273 HE2 TYR 47 2HE TYR 47 -15.674 -8.850 -9.258 274 HH TYR 47 HH TYR 47 -13.702 -8.980 -10.457 275 H ILE 48 H ILE 48 -13.547 -5.052 -5.387 276 HA ILE 48 HA ILE 48 -15.337 -3.953 -7.508 277 HB ILE 48 HB ILE 48 -13.977 -1.808 -7.220 278 HG13 ILE 48 2HG1 ILE 48 -12.378 -2.978 -5.510 279 HG21 ILE 48 1HG2 ILE 48 -16.376 -1.974 -6.666 280 HG22 ILE 48 2HG2 ILE 48 -15.996 -2.640 -5.065 281 HG23 ILE 48 3HG2 ILE 48 -15.577 -0.965 -5.473 282 HD11 ILE 48 3HD1 ILE 48 -12.100 -0.654 -6.096 283 HD12 ILE 48 1HD1 ILE 48 -13.534 -0.177 -5.185 284 HD13 ILE 48 2HD1 ILE 48 -12.126 -0.779 -4.317 285 H GLY 49 H GLY 49 -12.721 -5.912 -7.084 286 HA2 GLY 49 1HA GLY 49 -12.034 -6.484 -9.503 287 HA3 GLY 49 2HA GLY 49 -11.237 -4.900 -9.441 288 H ASP 50 H ASP 50 -9.631 -7.036 -9.860 289 HA ASP 50 HA ASP 50 -8.256 -7.452 -7.282 290 HB3 ASP 50 2HB ASP 50 -8.760 -9.548 -8.144 291 H SER 51 H SER 51 -8.351 -5.093 -9.278 292 HA SER 51 HA SER 51 -5.728 -4.132 -8.861 293 HB3 SER 51 2HB SER 51 -6.200 -4.286 -11.810 294 HG SER 51 HG SER 51 -3.886 -5.291 -11.071 295 H TYR 52 H TYR 52 -5.899 -1.867 -9.015 296 HA TYR 52 HA TYR 52 -7.247 -0.499 -11.028 297 HB3 TYR 52 2HB TYR 52 -9.372 -0.953 -10.068 298 HD1 TYR 52 1HD TYR 52 -8.162 1.018 -7.147 299 HD2 TYR 52 2HD TYR 52 -9.663 -2.795 -8.529 300 HE1 TYR 52 1HE TYR 52 -8.785 0.444 -4.841 301 HE2 TYR 52 2HE TYR 52 -10.316 -3.385 -6.262 302 HH TYR 52 HH TYR 52 -9.564 -1.201 -3.430 303 H SER 53 H SER 53 -7.527 1.954 -10.046 304 HA SER 53 HA SER 53 -5.505 2.485 -7.989 305 HB3 SER 53 2HB SER 53 -4.334 2.992 -9.995 306 HG SER 53 HG SER 53 -5.256 4.304 -11.602 307 H ALA 54 H ALA 54 -6.362 3.781 -6.409 308 HA ALA 54 HA ALA 54 -9.018 5.057 -6.936 309 HB1 ALA 54 1HB ALA 54 -7.718 4.529 -4.240 310 HB2 ALA 54 2HB ALA 54 -9.323 5.204 -4.545 311 HB3 ALA 54 3HB ALA 54 -8.996 3.508 -4.965 312 H GLN 55 H GLN 55 -9.150 7.277 -6.556 313 HA GLN 55 HA GLN 55 -6.622 8.771 -6.094 314 HB3 GLN 55 2HB GLN 55 -9.393 9.724 -6.904 315 HG3 GLN 55 2HG GLN 55 -6.771 11.044 -7.628 316 HE21 GLN 55 1HE2 GLN 55 -7.541 13.643 -6.906 317 HE22 GLN 55 2HE2 GLN 55 -8.732 14.139 -8.078 318 H ILE 56 H ILE 56 -6.491 10.140 -4.374 319 HA ILE 56 HA ILE 56 -8.293 9.635 -2.071 320 HB ILE 56 HB ILE 56 -5.956 11.567 -2.161 321 HG13 ILE 56 2HG1 ILE 56 -4.450 9.839 -1.424 322 HG21 ILE 56 1HG2 ILE 56 -7.177 10.058 0.197 323 HG22 ILE 56 2HG2 ILE 56 -5.822 11.199 0.271 324 HG23 ILE 56 3HG2 ILE 56 -7.426 11.766 -0.167 325 HD11 ILE 56 3HD1 ILE 56 -5.989 8.194 -0.338 326 HD12 ILE 56 1HD1 ILE 56 -6.708 7.828 -1.926 327 HD13 ILE 56 2HD1 ILE 56 -5.012 7.441 -1.613 328 H ARG 57 H ARG 57 -10.179 10.797 -1.969 329 HA ARG 57 HA ARG 57 -10.008 13.754 -2.404 330 HB3 ARG 57 2HB ARG 57 -12.270 13.800 -3.152 331 HG3 ARG 57 2HG ARG 57 -10.459 13.147 -4.910 332 HD3 ARG 57 2HD ARG 57 -11.949 10.555 -4.489 333 HE ARG 57 HE ARG 57 -10.961 11.362 -7.187 334 HH11 ARG 57 1HH1 ARG 57 -13.711 10.153 -5.203 335 HH12 ARG 57 2HH1 ARG 57 -14.631 9.690 -6.581 336 HH21 ARG 57 1HH2 ARG 57 -12.346 11.035 -8.919 337 HH22 ARG 57 2HH2 ARG 57 -13.688 9.924 -8.752 338 H THR 58 H THR 58 -9.784 11.774 -0.036 339 HA THR 58 HA THR 58 -12.047 12.746 1.632 340 HB THR 58 HB THR 58 -11.820 10.327 2.548 341 HG1 THR 58 1HG THR 58 -9.924 9.662 1.501 342 HG21 THR 58 3HG2 THR 58 -13.384 9.472 0.943 343 HG22 THR 58 1HG2 THR 58 -12.809 10.582 -0.323 344 HG23 THR 58 2HG2 THR 58 -13.672 11.213 1.093 345 H ALA 59 H ALA 59 -11.691 12.870 3.860 346 HA ALA 59 HA ALA 59 -9.122 13.571 4.799 347 HB1 ALA 59 1HB ALA 59 -11.156 14.198 6.005 348 HB2 ALA 59 2HB ALA 59 -11.582 12.493 6.278 349 HB3 ALA 59 3HB ALA 59 -10.156 13.187 7.067 350 H THR 60 H THR 60 -10.924 10.435 5.116 351 HA THR 60 HA THR 60 -8.329 9.060 5.538 352 HB THR 60 HB THR 60 -9.474 7.837 7.437 353 HG1 THR 60 1HG THR 60 -10.928 10.090 8.035 354 HG21 THR 60 3HG2 THR 60 -8.952 10.806 7.867 355 HG22 THR 60 1HG2 THR 60 -7.717 9.583 7.718 356 HG23 THR 60 2HG2 THR 60 -8.836 9.504 9.082 357 H MET 61 H MET 61 -8.124 7.478 4.255 358 HA MET 61 HA MET 61 -10.473 6.046 3.081 359 HB3 MET 61 2HB MET 61 -8.086 5.377 1.663 360 HG3 MET 61 2HG MET 61 -9.036 6.903 -0.066 361 HE1 MET 61 3HE MET 61 -9.762 3.457 -1.225 362 HE2 MET 61 1HE MET 61 -8.905 4.996 -1.431 363 HE3 MET 61 2HE MET 61 -8.542 3.968 -0.027 364 H SER 62 H SER 62 -9.981 3.870 2.441 365 HA SER 62 HA SER 62 -7.780 2.499 3.326 366 HB3 SER 62 2HB SER 62 -9.144 2.559 5.533 367 HG SER 62 HG SER 62 -11.144 1.576 4.650 368 H CYS 63 H CYS 63 -7.860 0.147 2.684 369 HA CYS 63 HA CYS 63 -10.080 -0.789 1.057 370 HB3 CYS 63 2HB CYS 63 -8.598 -1.538 -0.825 371 HG CYS 63 HG CYS 63 -9.651 1.190 -0.179 372 H CYS 64 H CYS 64 -9.771 -3.212 0.809 373 HA CYS 64 HA CYS 64 -7.493 -4.378 2.208 374 HB3 CYS 64 2HB CYS 64 -8.960 -4.274 4.072 375 HG CYS 64 HG CYS 64 -11.279 -5.478 4.341 376 H THR 65 H THR 65 -8.186 -6.954 2.049 377 HA THR 65 HA THR 65 -8.959 -7.535 -0.746 378 HB THR 65 HB THR 65 -6.651 -7.707 -0.948 379 HG1 THR 65 1HG THR 65 -7.166 -10.317 -0.041 380 HG21 THR 65 3HG2 THR 65 -6.568 -8.856 1.855 381 HG22 THR 65 1HG2 THR 65 -5.833 -7.350 1.228 382 HG23 THR 65 2HG2 THR 65 -5.183 -8.914 0.737 383 H ASN 66 H ASN 66 -9.205 -10.050 -0.736 384 HA ASN 66 HA ASN 66 -10.832 -10.957 1.597 385 HB3 ASN 66 2HB ASN 66 -11.724 -11.640 -0.630 386 HD21 ASN 66 1HD2 ASN 66 -9.777 -10.912 -2.302 387 HD22 ASN 66 2HD2 ASN 66 -8.992 -12.317 -2.994 388 H GLY 67 H GLY 67 -10.075 -13.228 2.333 389 HA2 GLY 67 1HA GLY 67 -7.299 -12.882 3.178 390 HA3 GLY 67 2HA GLY 67 -8.442 -14.085 3.772 391 H ASN 68 H ASN 68 -6.393 -13.202 1.008 392 HA ASN 68 HA ASN 68 -5.683 -16.049 0.604 393 HB3 ASN 68 2HB ASN 68 -6.806 -14.354 -1.653 394 HD21 ASN 68 1HD2 ASN 68 -6.651 -15.358 -3.732 395 HD22 ASN 68 2HD2 ASN 68 -6.288 -17.045 -3.948 396 H ALA 69 H ALA 69 -4.809 -12.691 0.542 397 HA ALA 69 HA ALA 69 -2.827 -12.881 -1.589 398 HB1 ALA 69 1HB ALA 69 -2.679 -10.487 -1.316 399 HB2 ALA 69 2HB ALA 69 -4.403 -10.890 -1.202 400 HB3 ALA 69 3HB ALA 69 -3.481 -10.544 0.264 401 H PHE 70 H PHE 70 -0.715 -11.942 -1.218 402 HA PHE 70 HA PHE 70 0.498 -12.715 1.410 403 HB3 PHE 70 2HB PHE 70 2.464 -13.415 0.065 404 HD1 PHE 70 1HD PHE 70 0.752 -14.965 1.669 405 HD2 PHE 70 2HD PHE 70 0.972 -14.847 -2.626 406 HE1 PHE 70 1HE PHE 70 -0.104 -17.308 1.564 407 HE2 PHE 70 2HE PHE 70 0.265 -17.209 -2.725 408 HZ PHE 70 HZ PHE 70 -0.336 -18.435 -0.599 409 H PHE 71 H PHE 71 -0.039 -10.024 -0.610 410 HA PHE 71 HA PHE 71 1.402 -8.388 1.164 411 HB3 PHE 71 2HB PHE 71 3.319 -9.029 -0.353 412 HD1 PHE 71 2HD PHE 71 2.936 -10.371 -2.260 413 HD2 PHE 71 1HD PHE 71 2.130 -6.135 -2.336 414 HE1 PHE 71 2HE PHE 71 2.775 -10.429 -4.746 415 HE2 PHE 71 1HE PHE 71 1.894 -6.220 -4.808 416 HZ PHE 71 HZ PHE 71 2.180 -8.368 -6.016 417 H MET 72 H MET 72 1.031 -6.005 0.402 418 HA MET 72 HA MET 72 -1.111 -5.618 -1.559 419 HB3 MET 72 2HB MET 72 -1.240 -4.363 1.205 420 HG3 MET 72 2HG MET 72 -3.372 -5.056 -0.856 421 HE1 MET 72 3HE MET 72 -5.830 -4.109 -0.614 422 HE2 MET 72 1HE MET 72 -6.307 -3.000 0.693 423 HE3 MET 72 2HE MET 72 -5.021 -2.541 -0.448 424 H THR 73 H THR 73 -0.661 -3.561 -2.628 425 HA THR 73 HA THR 73 1.718 -2.090 -1.627 426 HB THR 73 HB THR 73 2.355 -3.619 -3.385 427 HG1 THR 73 1HG THR 73 3.374 -2.141 -4.638 428 HG21 THR 73 3HG2 THR 73 0.396 -2.096 -5.169 429 HG22 THR 73 1HG2 THR 73 0.318 -3.814 -4.716 430 HG23 THR 73 2HG2 THR 73 1.628 -3.232 -5.733 431 H CYS 74 H CYS 74 1.777 0.050 -1.943 432 HA CYS 74 HA CYS 74 -0.709 1.563 -2.652 433 HB3 CYS 74 2HB CYS 74 1.285 2.009 -0.358 434 HG CYS 74 HG CYS 74 -0.426 3.432 0.959 435 H ALA 75 H ALA 75 1.117 1.257 -4.608 436 HA ALA 75 HA ALA 75 3.196 3.351 -4.511 437 HB1 ALA 75 1HB ALA 75 3.853 2.334 -6.630 438 HB2 ALA 75 2HB ALA 75 3.485 1.019 -5.516 439 HB3 ALA 75 3HB ALA 75 2.308 1.467 -6.750 440 H GLY 76 H GLY 76 2.865 5.533 -5.417 441 HA2 GLY 76 1HA GLY 76 0.676 5.750 -7.382 442 HA3 GLY 76 2HA GLY 76 0.436 6.517 -5.788 443 H SER 77 H SER 77 0.275 8.559 -6.880 444 HA SER 77 HA SER 77 2.784 9.800 -6.430 445 HB3 SER 77 2HB SER 77 2.949 9.310 -8.894 446 HG SER 77 HG SER 77 1.507 10.204 -10.325 447 H VAL 78 H VAL 78 2.590 12.231 -6.543 448 HA VAL 78 HA VAL 78 -0.149 13.252 -6.087 449 HB VAL 78 HB VAL 78 2.355 13.909 -4.517 450 HG11 VAL 78 1HG1 VAL 78 1.159 16.004 -4.725 451 HG12 VAL 78 2HG1 VAL 78 -0.405 15.239 -4.432 452 HG13 VAL 78 3HG1 VAL 78 0.787 15.406 -3.121 453 HG21 VAL 78 3HG2 VAL 78 1.666 12.750 -2.760 454 HG22 VAL 78 1HG2 VAL 78 -0.049 13.126 -2.976 455 HG23 VAL 78 2HG2 VAL 78 0.696 11.875 -3.966 456 H SER 79 H SER 79 -0.407 15.430 -6.932 457 HA SER 79 HA SER 79 1.966 16.930 -7.712 458 HB3 SER 79 2HB SER 79 1.563 17.141 -9.993 459 HG SER 79 HG SER 79 2.080 14.893 -9.268 460 H SER 80 H SER 80 1.410 19.133 -8.404 461 HA SER 80 HA SER 80 -1.338 20.002 -8.357 462 HB3 SER 80 2HB SER 80 0.708 21.471 -6.641 463 HG SER 80 HG SER 80 -2.077 21.869 -6.680 464 H ILE 81 H ILE 81 -1.449 21.979 -9.635 465 HA ILE 81 HA ILE 81 1.033 23.199 -10.635 466 HB ILE 81 HB ILE 81 -0.257 23.634 -12.819 467 HG13 ILE 81 2HG1 ILE 81 -2.424 22.699 -11.787 468 HG21 ILE 81 1HG2 ILE 81 1.177 21.145 -12.071 469 HG22 ILE 81 2HG2 ILE 81 0.330 21.120 -13.597 470 HG23 ILE 81 3HG2 ILE 81 1.556 22.378 -13.263 471 HD11 ILE 81 3HD1 ILE 81 -3.285 22.013 -13.934 472 HD12 ILE 81 1HD1 ILE 81 -2.237 23.429 -14.129 473 HD13 ILE 81 2HD1 ILE 81 -1.655 21.810 -14.581 474 H SER 82 H SER 82 -1.258 23.507 -8.522 475 HA SER 82 HA SER 82 -2.545 26.016 -9.267 476 HB3 SER 82 2HB SER 82 -2.332 24.852 -6.472 477 HG SER 82 HG SER 82 -4.539 25.610 -6.476 478 H GLU 83 H GLU 83 -2.280 27.491 -7.196 479 HA GLU 83 HA GLU 83 0.335 28.751 -7.727 480 HB3 GLU 83 2HB GLU 83 -0.475 30.660 -6.468 481 HG3 GLU 83 2HG GLU 83 -2.653 31.126 -7.513 482 H ALA 84 H ALA 84 1.648 29.681 -5.979 483 HA ALA 84 HA ALA 84 2.696 27.754 -4.246 484 HB1 ALA 84 1HB ALA 84 4.051 29.626 -3.357 485 HB2 ALA 84 2HB ALA 84 3.993 29.626 -5.128 486 HB3 ALA 84 3HB ALA 84 2.999 30.775 -4.213 487 H GLY 85 H GLY 85 3.018 28.084 -1.868 488 HA2 GLY 85 1HA GLY 85 2.369 28.538 0.295 489 HA3 GLY 85 2HA GLY 85 1.059 29.548 -0.319 490 H LYS 86 H LYS 86 0.634 26.579 -1.860 491 HA LYS 86 HA LYS 86 -1.428 25.716 0.041 492 HB3 LYS 86 2HB LYS 86 -2.153 24.311 -1.789 493 HG3 LYS 86 2HG LYS 86 -2.619 25.912 -3.623 494 HD3 LYS 86 2HD LYS 86 -2.692 27.298 -0.887 495 HE3 LYS 86 2HE LYS 86 -4.441 28.731 -2.010 496 HZ1 LYS 86 3HZ LYS 86 -2.836 30.107 -3.251 497 HZ2 LYS 86 1HZ LYS 86 -1.674 28.949 -3.084 498 HZ3 LYS 86 2HZ LYS 86 -2.272 29.719 -1.777 499 H ARG 87 H ARG 87 -0.985 24.221 1.472 500 HA ARG 87 HA ARG 87 1.590 22.664 1.323 501 HB3 ARG 87 2HB ARG 87 1.111 22.164 3.730 502 HG3 ARG 87 2HG ARG 87 2.453 24.255 2.959 503 HD3 ARG 87 2HD ARG 87 0.316 25.713 2.738 504 HE ARG 87 HE ARG 87 -0.014 24.981 5.423 505 HH11 ARG 87 1HH1 ARG 87 0.130 28.048 3.604 506 HH12 ARG 87 2HH1 ARG 87 -1.012 28.829 4.649 507 HH21 ARG 87 1HH2 ARG 87 -1.275 26.045 6.835 508 HH22 ARG 87 2HH2 ARG 87 -1.746 27.736 6.576 509 H LEU 88 H LEU 88 1.486 20.339 1.861 510 HA LEU 88 HA LEU 88 -1.147 19.122 2.002 511 HB3 LEU 88 2HB LEU 88 0.690 18.129 -0.189 512 HG LEU 88 HG LEU 88 -1.468 17.800 -1.423 513 HD11 LEU 88 1HD1 LEU 88 -2.170 15.795 -0.330 514 HD12 LEU 88 2HD1 LEU 88 -1.412 16.283 1.196 515 HD13 LEU 88 3HD1 LEU 88 -0.410 15.952 -0.249 516 HD21 LEU 88 3HD2 LEU 88 -3.609 17.920 -0.428 517 HD22 LEU 88 1HD2 LEU 88 -2.827 19.470 -0.091 518 HD23 LEU 88 2HD2 LEU 88 -2.968 18.219 1.175 519 H HIS 89 H HIS 89 -0.988 17.286 3.286 520 HA HIS 89 HA HIS 89 1.697 16.106 3.728 521 HB3 HIS 89 2HB HIS 89 -0.353 16.684 5.898 522 HD1 HIS 89 1HD HIS 89 3.077 17.298 7.080 523 HD2 HIS 89 2HD HIS 89 0.549 13.940 6.494 524 HE1 HIS 89 1HE HIS 89 3.982 15.439 8.525 525 H ILE 90 H ILE 90 1.636 13.898 3.580 526 HA ILE 90 HA ILE 90 -1.027 12.577 3.270 527 HB ILE 90 HB ILE 90 1.501 12.378 1.613 528 HG13 ILE 90 2HG1 ILE 90 0.112 12.794 -0.293 529 HG21 ILE 90 1HG2 ILE 90 -0.707 10.305 1.697 530 HG22 ILE 90 2HG2 ILE 90 0.476 10.460 0.371 531 HG23 ILE 90 3HG2 ILE 90 1.025 10.066 2.001 532 HD11 ILE 90 3HD1 ILE 90 -2.021 11.682 0.285 533 HD12 ILE 90 1HD1 ILE 90 -2.324 12.899 1.549 534 HD13 ILE 90 2HD1 ILE 90 -2.271 13.371 -0.154 535 H THR 91 H THR 91 -1.270 10.708 4.312 536 HA THR 91 HA THR 91 1.021 9.570 5.839 537 HB THR 91 HB THR 91 -1.856 10.131 6.608 538 HG1 THR 91 1HG THR 91 -0.752 11.943 6.855 539 HG21 THR 91 3HG2 THR 91 -1.029 7.998 7.665 540 HG22 THR 91 1HG2 THR 91 -1.388 9.287 8.828 541 HG23 THR 91 2HG2 THR 91 0.289 8.958 8.392 542 H VAL 92 H VAL 92 1.266 7.381 5.482 543 HA VAL 92 HA VAL 92 -0.811 5.870 4.006 544 HB VAL 92 HB VAL 92 1.377 5.050 2.694 545 HG11 VAL 92 1HG1 VAL 92 -0.668 5.803 1.707 546 HG12 VAL 92 2HG1 VAL 92 -0.153 7.508 1.876 547 HG13 VAL 92 3HG1 VAL 92 0.766 6.361 0.851 548 HG21 VAL 92 3HG2 VAL 92 2.013 8.019 3.123 549 HG22 VAL 92 1HG2 VAL 92 2.978 6.648 3.703 550 HG23 VAL 92 2HG2 VAL 92 2.790 6.962 1.961 551 H ILE 93 H ILE 93 -1.249 4.080 5.175 552 HA ILE 93 HA ILE 93 0.903 2.867 6.850 553 HB ILE 93 HB ILE 93 -2.002 3.394 7.577 554 HG13 ILE 93 2HG1 ILE 93 -0.277 5.452 7.614 555 HG21 ILE 93 1HG2 ILE 93 0.280 2.221 9.219 556 HG22 ILE 93 2HG2 ILE 93 -1.280 2.692 9.888 557 HG23 ILE 93 3HG2 ILE 93 -1.206 1.391 8.718 558 HD11 ILE 93 3HD1 ILE 93 -2.549 5.652 8.415 559 HD12 ILE 93 1HD1 ILE 93 -2.149 4.785 9.909 560 HD13 ILE 93 2HD1 ILE 93 -1.426 6.371 9.586 561 H GLY 94 H GLY 94 0.597 0.560 7.234 562 HA2 GLY 94 1HA GLY 94 -1.421 -0.854 5.593 563 HA3 GLY 94 2HA GLY 94 0.297 -1.126 5.259 564 H TYR 95 H TYR 95 -1.928 -2.859 6.223 565 HA TYR 95 HA TYR 95 -0.896 -3.826 8.825 566 HB3 TYR 95 2HB TYR 95 -3.281 -4.384 9.298 567 HD1 TYR 95 1HD TYR 95 -3.622 -1.273 7.316 568 HD2 TYR 95 2HD TYR 95 -2.866 -2.948 11.227 569 HE1 TYR 95 1HE TYR 95 -3.823 0.984 8.323 570 HE2 TYR 95 2HE TYR 95 -3.116 -0.691 12.236 571 HH TYR 95 HH TYR 95 -3.404 1.591 11.801 572 H ILE 96 H ILE 96 -1.380 -6.065 9.284 573 HA ILE 96 HA ILE 96 -1.902 -7.890 7.005 574 HB ILE 96 HB ILE 96 0.371 -8.106 9.033 575 HG13 ILE 96 2HG1 ILE 96 0.984 -6.685 7.174 576 HG21 ILE 96 1HG2 ILE 96 -0.856 -10.335 8.576 577 HG22 ILE 96 2HG2 ILE 96 -0.240 -10.187 6.903 578 HG23 ILE 96 3HG2 ILE 96 0.866 -10.284 8.269 579 HD11 ILE 96 3HD1 ILE 96 2.052 -9.414 6.366 580 HD12 ILE 96 1HD1 ILE 96 2.757 -7.830 6.053 581 HD13 ILE 96 2HD1 ILE 96 2.701 -8.443 7.719 582 H ASP 97 H ASP 97 -3.807 -8.705 7.596 583 HA ASP 97 HA ASP 97 -5.475 -9.631 8.634 584 HB3 ASP 97 2HB ASP 97 -3.544 -10.672 10.724 585 H ASP 98 H ASP 98 -3.613 -8.647 11.488 586 HA ASP 98 HA ASP 98 -5.720 -6.794 12.423 587 HB3 ASP 98 2HB ASP 98 -4.826 -9.274 13.960 588 H LYS 99 H LYS 99 -2.657 -6.922 11.618 589 HA LYS 99 HA LYS 99 -1.694 -5.376 13.965 590 HB3 LYS 99 2HB LYS 99 0.645 -6.232 13.395 591 HG3 LYS 99 2HG LYS 99 0.384 -8.457 14.477 592 HD3 LYS 99 2HD LYS 99 -0.787 -7.829 16.614 593 HE3 LYS 99 2HE LYS 99 0.499 -5.623 17.032 594 HZ1 LYS 99 3HZ LYS 99 2.288 -6.803 17.669 595 HZ2 LYS 99 1HZ LYS 99 2.356 -7.784 16.339 596 HZ3 LYS 99 2HZ LYS 99 1.259 -8.047 17.512 597 H GLU 100 H GLU 100 -0.193 -3.893 13.478 598 HA GLU 100 HA GLU 100 -0.334 -2.754 10.679 599 HB3 GLU 100 2HB GLU 100 0.799 -1.351 13.120 600 HG3 GLU 100 2HG GLU 100 -0.459 -0.289 10.533 601 H VAL 101 H VAL 101 1.597 -2.640 9.439 602 HA VAL 101 HA VAL 101 4.138 -3.252 10.851 603 HB VAL 101 HB VAL 101 4.838 -4.923 9.344 604 HG11 VAL 101 1HG1 VAL 101 2.089 -5.743 10.352 605 HG12 VAL 101 2HG1 VAL 101 3.467 -6.794 9.965 606 HG13 VAL 101 3HG1 VAL 101 3.579 -5.675 11.327 607 HG21 VAL 101 3HG2 VAL 101 3.330 -5.966 7.677 608 HG22 VAL 101 1HG2 VAL 101 2.121 -4.693 7.978 609 HG23 VAL 101 2HG2 VAL 101 3.721 -4.305 7.284 610 H ASN 102 H ASN 102 2.562 -1.507 8.149 611 HA ASN 102 HA ASN 102 5.275 -0.449 7.437 612 HB3 ASN 102 2HB ASN 102 2.911 -0.596 5.539 613 HD21 ASN 102 1HD2 ASN 102 5.312 -1.449 3.611 614 HD22 ASN 102 2HD2 ASN 102 6.242 -0.001 3.391 615 H ARG 103 H ARG 103 5.394 1.760 7.640 616 HA ARG 103 HA ARG 103 3.178 3.321 6.848 617 HB3 ARG 103 2HB ARG 103 2.323 3.286 9.124 618 HG3 ARG 103 2HG ARG 103 5.212 3.358 9.992 619 HD3 ARG 103 2HD ARG 103 4.344 3.975 12.305 620 HE ARG 103 HE ARG 103 4.024 6.406 10.693 621 HH11 ARG 103 1HH1 ARG 103 6.403 4.215 12.177 622 HH12 ARG 103 2HH1 ARG 103 7.744 5.250 11.801 623 HH21 ARG 103 1HH2 ARG 103 5.690 7.792 10.400 624 HH22 ARG 103 2HH2 ARG 103 7.258 7.505 11.104 625 H LEU 104 H LEU 104 3.630 5.209 6.097 626 HA LEU 104 HA LEU 104 5.806 6.612 7.384 627 HB3 LEU 104 2HB LEU 104 6.943 5.597 5.464 628 HG LEU 104 HG LEU 104 4.996 5.826 3.819 629 HD11 LEU 104 1HD1 LEU 104 6.441 8.521 3.448 630 HD12 LEU 104 2HD1 LEU 104 4.712 8.312 3.793 631 HD13 LEU 104 3HD1 LEU 104 5.373 7.832 2.236 632 HD21 LEU 104 3HD2 LEU 104 7.965 6.370 3.275 633 HD22 LEU 104 1HD2 LEU 104 6.883 6.054 1.946 634 HD23 LEU 104 2HD2 LEU 104 7.107 4.828 3.204 635 H GLU 105 H GLU 105 5.877 8.960 6.509 636 HA GLU 105 HA GLU 105 3.249 9.938 5.705 637 HB3 GLU 105 2HB GLU 105 3.487 11.809 7.262 638 HG3 GLU 105 2HG GLU 105 2.420 9.492 7.989 639 H LYS 106 H LYS 106 3.584 12.270 4.820 640 HA LYS 106 HA LYS 106 6.304 13.030 4.251 641 HB3 LYS 106 2HB LYS 106 4.618 12.678 1.769 642 HG3 LYS 106 2HG LYS 106 7.401 13.299 2.386 643 HD3 LYS 106 2HD LYS 106 7.663 10.775 2.188 644 HE3 LYS 106 2HE LYS 106 6.071 11.228 -0.163 645 HZ1 LYS 106 3HZ LYS 106 8.749 10.091 -0.810 646 HZ2 LYS 106 1HZ LYS 106 8.226 11.567 -1.321 647 HZ3 LYS 106 2HZ LYS 106 7.501 10.226 -1.844 648 H GLU 107 H GLU 107 6.282 15.144 2.953 649 HA GLU 107 HA GLU 107 3.810 16.700 3.319 650 HB3 GLU 107 2HB GLU 107 6.498 17.523 4.488 651 HG3 GLU 107 2HG GLU 107 3.708 18.695 4.520 652 H TYR 108 H TYR 108 3.709 18.518 1.997 653 HA TYR 108 HA TYR 108 5.929 19.100 0.183 654 HB3 TYR 108 2HB TYR 108 4.575 18.607 -1.745 655 HD1 TYR 108 2HD TYR 108 6.182 16.661 -1.607 656 HD2 TYR 108 1HD TYR 108 2.254 16.564 0.128 657 HE1 TYR 108 2HE TYR 108 6.227 14.141 -1.610 658 HE2 TYR 108 1HE TYR 108 2.258 14.108 0.096 659 HH TYR 108 HH TYR 108 3.358 12.252 -0.660 660 H ILE 109 H ILE 109 5.623 21.192 -0.870 661 HA ILE 109 HA ILE 109 3.170 22.646 -0.314 662 HB ILE 109 HB ILE 109 5.818 23.995 0.282 663 HG13 ILE 109 2HG1 ILE 109 5.631 22.275 1.990 664 HG21 ILE 109 1HG2 ILE 109 3.901 25.424 -0.377 665 HG22 ILE 109 2HG2 ILE 109 2.889 24.699 0.861 666 HG23 ILE 109 3HG2 ILE 109 4.275 25.715 1.303 667 HD11 ILE 109 3HD1 ILE 109 6.470 24.524 2.674 668 HD12 ILE 109 1HD1 ILE 109 4.829 24.898 3.273 669 HD13 ILE 109 2HD1 ILE 109 5.739 23.556 3.969 670 H THR 110 H THR 110 2.669 23.887 -2.052 671 HA THR 110 HA THR 110 4.176 23.920 -4.526 672 HB THR 110 HB THR 110 2.472 25.762 -5.032 673 HG1 THR 110 1HG THR 110 2.483 26.060 -2.650 674 HG21 THR 110 3HG2 THR 110 0.501 24.364 -5.136 675 HG22 THR 110 1HG2 THR 110 1.139 23.252 -3.921 676 HG23 THR 110 2HG2 THR 110 1.897 23.354 -5.526 677 H ASP 111 H ASP 111 5.880 25.222 -4.957 678 HA ASP 111 HA ASP 111 6.282 27.742 -3.400 679 HB3 ASP 111 2HB ASP 111 7.950 25.968 -3.005 680 H GLY 112 H GLY 112 5.282 26.636 -6.406 681 HA2 GLY 112 1HA GLY 112 4.569 28.383 -8.002 682 HA3 GLY 112 2HA GLY 112 6.212 29.044 -7.890 683 H ASN 113 H ASN 113 7.341 26.173 -7.640 684 HA ASN 113 HA ASN 113 7.588 25.612 -10.506 685 HB3 ASN 113 2HB ASN 113 9.110 23.872 -9.744 686 HD21 ASN 113 1HD2 ASN 113 9.840 25.681 -6.909 687 HD22 ASN 113 2HD2 ASN 113 11.106 26.654 -7.632 688 H THR 114 H THR 114 7.225 23.137 -11.082 689 HA THR 114 HA THR 114 4.500 22.533 -10.451 690 HB THR 114 HB THR 114 6.451 20.630 -11.796 691 HG1 THR 114 1HG THR 114 6.094 21.788 -13.671 692 HG21 THR 114 3HG2 THR 114 4.075 19.890 -11.408 693 HG22 THR 114 1HG2 THR 114 4.461 20.055 -13.133 694 HG23 THR 114 2HG2 THR 114 3.518 21.310 -12.307 695 H LEU 115 H LEU 115 3.853 21.683 -8.575 696 HA LEU 115 HA LEU 115 5.501 20.178 -6.738 697 HB3 LEU 115 2HB LEU 115 2.481 20.399 -7.018 698 HG LEU 115 HG LEU 115 2.242 20.336 -4.688 699 HD11 LEU 115 1HD1 LEU 115 4.060 17.975 -5.259 700 HD12 LEU 115 2HD1 LEU 115 2.361 18.109 -5.791 701 HD13 LEU 115 3HD1 LEU 115 2.760 18.117 -4.069 702 HD21 LEU 115 3HD2 LEU 115 4.485 21.450 -4.179 703 HD22 LEU 115 1HD2 LEU 115 5.181 19.818 -4.197 704 HD23 LEU 115 2HD2 LEU 115 3.896 20.223 -3.043 705 H ILE 116 H ILE 116 6.138 18.106 -7.179 706 HA ILE 116 HA ILE 116 4.156 16.207 -8.039 707 HB ILE 116 HB ILE 116 6.764 16.476 -9.580 708 HG13 ILE 116 2HG1 ILE 116 5.217 18.129 -10.309 709 HG21 ILE 116 1HG2 ILE 116 6.113 14.095 -9.223 710 HG22 ILE 116 2HG2 ILE 116 4.484 14.443 -9.846 711 HG23 ILE 116 3HG2 ILE 116 5.908 14.522 -10.903 712 HD11 ILE 116 3HD1 ILE 116 5.014 15.935 -12.371 713 HD12 ILE 116 1HD1 ILE 116 4.826 17.668 -12.638 714 HD13 ILE 116 2HD1 ILE 116 6.412 17.030 -12.157 715 H GLU 117 H GLU 117 4.637 14.326 -7.108 716 HA GLU 117 HA GLU 117 7.232 13.592 -6.144 717 HB3 GLU 117 2HB GLU 117 5.725 13.436 -3.721 718 HG3 GLU 117 2HG GLU 117 7.510 15.219 -3.072 719 H THR 118 H THR 118 7.099 11.417 -5.012 720 HA THR 118 HA THR 118 4.722 9.745 -5.694 721 HB THR 118 HB THR 118 6.329 8.099 -6.643 722 HG1 THR 118 1HG THR 118 8.327 8.798 -7.340 723 HG21 THR 118 3HG2 THR 118 6.501 9.044 -8.885 724 HG22 THR 118 1HG2 THR 118 6.193 10.676 -8.251 725 HG23 THR 118 2HG2 THR 118 4.940 9.421 -8.151 726 H PHE 119 H PHE 119 4.712 7.889 -4.489 727 HA PHE 119 HA PHE 119 6.678 7.414 -2.354 728 HB3 PHE 119 2HB PHE 119 5.281 9.212 -1.451 729 HD1 PHE 119 1HD PHE 119 3.037 6.131 -1.142 730 HD2 PHE 119 2HD PHE 119 3.360 10.322 -2.154 731 HE1 PHE 119 1HE PHE 119 0.673 6.158 -1.747 732 HE2 PHE 119 2HE PHE 119 0.960 10.310 -2.750 733 HZ PHE 119 HZ PHE 119 -0.383 8.260 -2.565 734 H SER 120 H SER 120 6.016 5.341 -1.099 735 HA SER 120 HA SER 120 3.951 3.699 -1.996 736 HB3 SER 120 2HB SER 120 5.231 3.332 -4.137 737 HG SER 120 HG SER 120 7.524 2.682 -3.855 738 H VAL 121 H VAL 121 3.565 1.918 -1.124 739 HA VAL 121 HA VAL 121 5.291 1.117 1.048 740 HB VAL 121 HB VAL 121 3.986 1.501 2.406 741 HG11 VAL 121 1HG1 VAL 121 3.242 3.592 2.960 742 HG12 VAL 121 2HG1 VAL 121 4.695 3.561 1.973 743 HG13 VAL 121 3HG1 VAL 121 3.098 3.971 1.212 744 HG21 VAL 121 3HG2 VAL 121 2.009 1.392 3.187 745 HG22 VAL 121 1HG2 VAL 121 1.281 2.273 1.855 746 HG23 VAL 121 2HG2 VAL 121 1.733 0.559 1.608 747 H SER 122 H SER 122 5.280 -1.051 1.406 748 HA SER 122 HA SER 122 3.231 -2.717 0.125 749 HB3 SER 122 2HB SER 122 4.691 -3.943 -1.136 750 HG SER 122 HG SER 122 6.442 -1.745 -0.809 751 H THR 123 H THR 123 2.629 -4.409 1.600 752 HA THR 123 HA THR 123 3.885 -4.158 4.226 753 HB THR 123 HB THR 123 2.006 -6.110 4.552 754 HG1 THR 123 1HG THR 123 0.260 -4.803 3.186 755 HG21 THR 123 3HG2 THR 123 0.719 -4.512 5.607 756 HG22 THR 123 1HG2 THR 123 1.112 -3.236 4.438 757 HG23 THR 123 2HG2 THR 123 2.308 -3.757 5.627 758 H LYS 124 H LYS 124 4.661 -6.173 1.593 759 HA LYS 124 HA LYS 124 6.145 -7.979 3.349 760 HB3 LYS 124 2HB LYS 124 5.259 -9.769 1.470 761 HG3 LYS 124 2HG LYS 124 3.285 -9.996 3.412 762 HD3 LYS 124 2HD LYS 124 4.769 -11.834 2.693 763 HE3 LYS 124 2HE LYS 124 6.766 -10.555 4.623 764 HZ1 LYS 124 3HZ LYS 124 6.907 -13.087 3.096 765 HZ2 LYS 124 1HZ LYS 124 6.993 -12.928 4.737 766 HZ3 LYS 124 2HZ LYS 124 8.195 -12.365 3.762 767 H GLU 125 H GLU 125 8.132 -8.012 2.605 768 HA GLU 125 HA GLU 125 8.709 -7.270 -0.230 769 HB3 GLU 125 2HB GLU 125 10.495 -5.730 0.752 770 HG3 GLU 125 2HG GLU 125 8.845 -4.008 1.737 771 H ILE 126 H ILE 126 8.695 -9.846 0.775 772 HA ILE 126 HA ILE 126 9.818 -11.788 0.778 773 HB ILE 126 HB ILE 126 12.398 -10.230 0.700 774 HG13 ILE 126 2HG1 ILE 126 11.032 -9.907 -1.347 775 HG21 ILE 126 1HG2 ILE 126 13.485 -12.353 0.176 776 HG22 ILE 126 2HG2 ILE 126 12.617 -12.504 1.692 777 HG23 ILE 126 3HG2 ILE 126 11.916 -13.205 0.221 778 HD11 ILE 126 3HD1 ILE 126 13.323 -11.779 -2.021 779 HD12 ILE 126 1HD1 ILE 126 12.566 -10.552 -3.050 780 HD13 ILE 126 2HD1 ILE 126 13.508 -10.049 -1.637 Start of MODEL 11 1 H1 GLY 1 H GLY 1 8.427 -21.288 -2.268 2 HA2 GLY 1 1HA GLY 1 10.975 -21.557 -0.770 3 HA3 GLY 1 2HA GLY 1 10.891 -21.257 -2.513 4 H ALA 2 H ALA 2 9.500 -19.820 0.567 5 HA ALA 2 HA ALA 2 10.701 -17.289 -0.077 6 HB1 ALA 2 1HB ALA 2 8.581 -17.085 -1.385 7 HB2 ALA 2 2HB ALA 2 7.646 -17.537 0.056 8 HB3 ALA 2 3HB ALA 2 8.564 -16.013 0.019 9 H SER 3 H SER 3 10.682 -15.931 1.863 10 HA SER 3 HA SER 3 10.332 -17.161 4.393 11 HB3 SER 3 2HB SER 3 11.293 -15.282 5.144 12 HG SER 3 HG SER 3 11.473 -13.815 2.874 13 H ASP 4 H ASP 4 7.944 -16.139 2.213 14 HA ASP 4 HA ASP 4 6.155 -14.712 3.870 15 HB3 ASP 4 2HB ASP 4 4.473 -15.365 2.069 16 H PHE 5 H PHE 5 5.887 -15.828 5.827 17 HA PHE 5 HA PHE 5 3.991 -18.062 5.726 18 HB3 PHE 5 2HB PHE 5 5.996 -17.505 7.952 19 HD1 PHE 5 2HD PHE 5 4.633 -20.124 5.735 20 HD2 PHE 5 1HD PHE 5 5.205 -18.795 9.733 21 HE1 PHE 5 2HE PHE 5 3.473 -22.214 6.566 22 HE2 PHE 5 1HE PHE 5 4.051 -20.851 10.621 23 HZ PHE 5 HZ PHE 5 3.187 -22.552 9.031 24 H GLN 6 H GLN 6 3.690 -15.189 5.746 25 HA GLN 6 HA GLN 6 1.699 -14.934 7.875 26 HB3 GLN 6 2HB GLN 6 2.046 -12.395 7.303 27 HG3 GLN 6 2HG GLN 6 4.277 -13.121 9.090 28 HE21 GLN 6 1HE2 GLN 6 1.253 -12.651 10.671 29 HE22 GLN 6 2HE2 GLN 6 1.215 -10.884 10.626 30 H THR 7 H THR 7 -0.107 -14.554 7.115 31 HA THR 7 HA THR 7 -0.863 -13.167 4.662 32 HB THR 7 HB THR 7 -2.486 -15.028 4.168 33 HG1 THR 7 1HG THR 7 -0.732 -16.732 5.595 34 HG21 THR 7 3HG2 THR 7 -1.098 -16.388 2.813 35 HG22 THR 7 1HG2 THR 7 0.354 -15.994 3.766 36 HG23 THR 7 2HG2 THR 7 -0.449 -14.746 2.792 37 H GLY 8 H GLY 8 -3.609 -13.662 4.929 38 HA2 GLY 8 1HA GLY 8 -5.000 -13.922 7.080 39 HA3 GLY 8 2HA GLY 8 -4.171 -12.425 7.557 40 H ILE 9 H ILE 9 -4.944 -10.604 6.859 41 HA ILE 9 HA ILE 9 -6.269 -10.157 4.318 42 HB ILE 9 HB ILE 9 -7.480 -9.498 7.037 43 HG13 ILE 9 2HG1 ILE 9 -8.056 -11.635 5.583 44 HG21 ILE 9 1HG2 ILE 9 -9.156 -8.069 5.746 45 HG22 ILE 9 2HG2 ILE 9 -7.552 -7.373 5.893 46 HG23 ILE 9 3HG2 ILE 9 -8.036 -8.131 4.371 47 HD11 ILE 9 3HD1 ILE 9 -9.225 -10.990 7.556 48 HD12 ILE 9 1HD1 ILE 9 -10.250 -9.860 6.618 49 HD13 ILE 9 2HD1 ILE 9 -10.328 -11.610 6.295 50 H HIS 10 H HIS 10 -4.733 -8.783 3.555 51 HA HIS 10 HA HIS 10 -3.265 -6.961 5.347 52 HB3 HIS 10 2HB HIS 10 -2.355 -6.090 3.177 53 HD1 HIS 10 1HD HIS 10 0.057 -6.854 3.454 54 HD2 HIS 10 2HD HIS 10 -2.709 -10.026 3.289 55 HE1 HIS 10 1HE HIS 10 1.399 -9.013 3.792 56 H LYS 11 H LYS 11 -3.488 -4.615 5.087 57 HA LYS 11 HA LYS 11 -5.707 -3.568 3.568 58 HB3 LYS 11 2HB LYS 11 -7.225 -3.575 5.226 59 HG3 LYS 11 2HG LYS 11 -5.000 -4.074 7.183 60 HD3 LYS 11 2HD LYS 11 -6.805 -2.287 7.999 61 HE3 LYS 11 2HE LYS 11 -8.625 -4.169 7.255 62 HZ1 LYS 11 3HZ LYS 11 -7.996 -5.818 8.876 63 HZ2 LYS 11 1HZ LYS 11 -9.401 -5.110 9.414 64 HZ3 LYS 11 2HZ LYS 11 -7.969 -4.725 10.094 65 H ILE 12 H ILE 12 -5.555 -1.243 3.353 66 HA ILE 12 HA ILE 12 -3.168 0.156 4.405 67 HB ILE 12 HB ILE 12 -3.951 -0.195 1.468 68 HG13 ILE 12 2HG1 ILE 12 -2.149 -1.396 0.897 69 HG21 ILE 12 1HG2 ILE 12 -3.276 2.089 1.708 70 HG22 ILE 12 2HG2 ILE 12 -1.826 1.651 2.625 71 HG23 ILE 12 3HG2 ILE 12 -1.962 1.234 0.919 72 HD11 ILE 12 3HD1 ILE 12 -0.098 -1.816 2.193 73 HD12 ILE 12 1HD1 ILE 12 -0.250 -0.145 1.643 74 HD13 ILE 12 2HD1 ILE 12 -0.585 -0.557 3.342 75 H VAL 13 H VAL 13 -3.342 2.107 4.502 76 HA VAL 13 HA VAL 13 -6.003 3.381 4.274 77 HB VAL 13 HB VAL 13 -5.103 4.094 6.601 78 HG11 VAL 13 1HG1 VAL 13 -6.121 2.094 7.743 79 HG12 VAL 13 2HG1 VAL 13 -7.132 2.795 6.508 80 HG13 VAL 13 3HG1 VAL 13 -6.212 1.309 6.144 81 HG21 VAL 13 3HG2 VAL 13 -3.686 2.880 7.832 82 HG22 VAL 13 1HG2 VAL 13 -3.628 1.533 6.658 83 HG23 VAL 13 2HG2 VAL 13 -2.904 3.121 6.303 84 H ILE 14 H ILE 14 -5.880 5.640 3.755 85 HA ILE 14 HA ILE 14 -3.174 6.860 3.675 86 HB ILE 14 HB ILE 14 -5.215 7.013 1.411 87 HG13 ILE 14 2HG1 ILE 14 -2.880 5.187 1.766 88 HG21 ILE 14 1HG2 ILE 14 -4.116 9.101 1.547 89 HG22 ILE 14 2HG2 ILE 14 -2.539 8.346 1.847 90 HG23 ILE 14 3HG2 ILE 14 -3.301 8.240 0.244 91 HD11 ILE 14 3HD1 ILE 14 -5.131 5.308 -0.298 92 HD12 ILE 14 1HD1 ILE 14 -4.061 3.940 0.015 93 HD13 ILE 14 2HD1 ILE 14 -5.237 4.429 1.250 94 H GLN 15 H GLN 15 -3.231 9.012 4.178 95 HA GLN 15 HA GLN 15 -5.888 10.332 4.394 96 HB3 GLN 15 2HB GLN 15 -5.158 11.491 6.423 97 HG3 GLN 15 2HG GLN 15 -6.277 9.093 6.451 98 HE21 GLN 15 1HE2 GLN 15 -5.919 6.899 6.873 99 HE22 GLN 15 2HE2 GLN 15 -4.403 6.262 7.517 100 H GLN 16 H GLN 16 -5.625 12.674 4.496 101 HA GLN 16 HA GLN 16 -3.098 13.748 3.462 102 HB3 GLN 16 2HB GLN 16 -4.396 13.348 1.376 103 HG3 GLN 16 2HG GLN 16 -6.323 15.419 2.521 104 HE21 GLN 16 1HE2 GLN 16 -7.999 13.665 0.420 105 HE22 GLN 16 2HE2 GLN 16 -7.726 14.573 -1.087 106 H SER 17 H SER 17 -3.213 16.214 3.653 107 HA SER 17 HA SER 17 -5.542 17.403 4.842 108 HB3 SER 17 2HB SER 17 -2.960 18.078 6.246 109 HG SER 17 HG SER 17 -4.276 18.355 7.983 110 H GLY 18 H GLY 18 -5.125 19.943 4.696 111 HA2 GLY 18 1HA GLY 18 -3.471 21.632 3.993 112 HA3 GLY 18 2HA GLY 18 -2.964 20.564 2.707 113 H ASP 19 H ASP 19 -3.428 21.770 0.961 114 HA ASP 19 HA ASP 19 -6.135 22.870 0.439 115 HB3 ASP 19 2HB ASP 19 -3.608 22.820 -1.239 116 H THR 20 H THR 20 -6.944 20.735 0.900 117 HA THR 20 HA THR 20 -6.273 18.472 -0.698 118 HB THR 20 HB THR 20 -8.159 17.474 0.568 119 HG1 THR 20 1HG THR 20 -8.818 20.112 0.913 120 HG21 THR 20 3HG2 THR 20 -7.107 17.560 2.694 121 HG22 THR 20 1HG2 THR 20 -6.516 19.194 2.450 122 HG23 THR 20 2HG2 THR 20 -5.795 17.852 1.544 123 H ASP 21 H ASP 21 -7.430 21.008 -2.157 124 HA ASP 21 HA ASP 21 -9.594 19.661 -3.721 125 HB3 ASP 21 2HB ASP 21 -10.505 22.187 -3.744 126 H SER 22 H SER 22 -6.582 20.453 -4.066 127 HA SER 22 HA SER 22 -6.856 21.357 -6.882 128 HB3 SER 22 2HB SER 22 -4.724 22.901 -6.102 129 HG SER 22 HG SER 22 -6.690 24.289 -5.221 130 H PHE 23 H PHE 23 -5.950 18.819 -5.194 131 HA PHE 23 HA PHE 23 -3.134 18.611 -6.179 132 HB3 PHE 23 2HB PHE 23 -2.801 17.426 -3.901 133 HD1 PHE 23 1HD PHE 23 -4.075 21.005 -3.956 134 HD2 PHE 23 2HD PHE 23 -0.715 18.351 -3.492 135 HE1 PHE 23 1HE PHE 23 -2.640 22.929 -3.518 136 HE2 PHE 23 2HE PHE 23 0.692 20.270 -2.846 137 HZ PHE 23 HZ PHE 23 -0.246 22.582 -2.879 138 H GLU 24 H GLU 24 -3.092 16.997 -7.527 139 HA GLU 24 HA GLU 24 -4.868 14.702 -7.541 140 HB3 GLU 24 2HB GLU 24 -3.100 13.895 -9.197 141 HG3 GLU 24 2HG GLU 24 -3.456 15.701 -10.926 142 H VAL 25 H VAL 25 -4.631 12.976 -6.150 143 HA VAL 25 HA VAL 25 -1.891 11.977 -5.731 144 HB VAL 25 HB VAL 25 -4.020 11.894 -3.564 145 HG11 VAL 25 1HG1 VAL 25 -1.107 11.005 -3.520 146 HG12 VAL 25 2HG1 VAL 25 -2.221 10.973 -2.139 147 HG13 VAL 25 3HG1 VAL 25 -2.504 9.927 -3.541 148 HG21 VAL 25 3HG2 VAL 25 -2.463 13.290 -2.240 149 HG22 VAL 25 1HG2 VAL 25 -1.552 13.619 -3.738 150 HG23 VAL 25 2HG2 VAL 25 -3.255 14.122 -3.590 151 H SER 26 H SER 26 -1.938 10.034 -6.923 152 HA SER 26 HA SER 26 -4.440 8.454 -6.733 153 HB3 SER 26 2HB SER 26 -4.432 8.862 -8.945 154 HG SER 26 HG SER 26 -2.201 8.647 -10.045 155 H VAL 27 H VAL 27 -4.275 6.377 -6.307 156 HA VAL 27 HA VAL 27 -1.608 5.218 -5.589 157 HB VAL 27 HB VAL 27 -2.973 3.786 -3.997 158 HG11 VAL 27 1HG1 VAL 27 -2.623 6.756 -3.417 159 HG12 VAL 27 2HG1 VAL 27 -2.801 5.481 -2.189 160 HG13 VAL 27 3HG1 VAL 27 -1.396 5.471 -3.260 161 HG21 VAL 27 3HG2 VAL 27 -4.991 4.779 -2.983 162 HG22 VAL 27 1HG2 VAL 27 -4.973 6.111 -4.146 163 HG23 VAL 27 2HG2 VAL 27 -5.284 4.458 -4.693 164 H SER 28 H SER 28 -1.045 3.596 -6.897 165 HA SER 28 HA SER 28 -3.040 2.103 -8.481 166 HB3 SER 28 2HB SER 28 -0.072 1.553 -8.191 167 HG SER 28 HG SER 28 -0.797 0.102 -9.522 168 H ILE 29 H ILE 29 -3.854 0.159 -7.695 169 HA ILE 29 HA ILE 29 -2.655 -0.861 -5.149 170 HB ILE 29 HB ILE 29 -5.536 -0.228 -5.818 171 HG13 ILE 29 2HG1 ILE 29 -3.905 1.569 -4.816 172 HG21 ILE 29 1HG2 ILE 29 -6.128 -1.234 -3.601 173 HG22 ILE 29 2HG2 ILE 29 -5.504 -2.412 -4.740 174 HG23 ILE 29 3HG2 ILE 29 -4.455 -1.810 -3.438 175 HD11 ILE 29 3HD1 ILE 29 -5.522 2.412 -3.170 176 HD12 ILE 29 1HD1 ILE 29 -6.266 2.007 -4.728 177 HD13 ILE 29 2HD1 ILE 29 -6.458 0.925 -3.324 178 H GLY 30 H GLY 30 -2.819 -3.124 -4.835 179 HA2 GLY 30 1HA GLY 30 -4.117 -4.897 -6.617 180 HA3 GLY 30 2HA GLY 30 -2.435 -4.696 -7.114 181 H GLY 31 H GLY 31 -3.086 -7.129 -6.433 182 HA2 GLY 31 1HA GLY 31 -1.329 -7.841 -4.337 183 HA3 GLY 31 2HA GLY 31 -3.017 -8.031 -3.841 184 H ALA 32 H ALA 32 -1.618 -10.312 -4.069 185 HA ALA 32 HA ALA 32 -2.535 -11.690 -6.515 186 HB1 ALA 32 1HB ALA 32 0.332 -11.899 -5.528 187 HB2 ALA 32 2HB ALA 32 -0.370 -12.657 -6.954 188 HB3 ALA 32 3HB ALA 32 -0.163 -10.892 -6.930 189 H ASP 33 H ASP 33 -3.321 -13.654 -5.995 190 HA ASP 33 HA ASP 33 -2.950 -14.581 -3.197 191 HB3 ASP 33 2HB ASP 33 -5.266 -13.927 -3.927 192 H LYS 34 H LYS 34 -3.825 -17.169 -3.425 193 HA LYS 34 HA LYS 34 -1.605 -18.529 -4.751 194 HB3 LYS 34 2HB LYS 34 -4.039 -19.649 -3.313 195 HG3 LYS 34 2HG LYS 34 -1.407 -20.902 -4.230 196 HD3 LYS 34 2HD LYS 34 -2.753 -23.024 -3.363 197 HE3 LYS 34 2HE LYS 34 -2.014 -22.524 -0.946 198 HZ1 LYS 34 3HZ LYS 34 -0.633 -23.651 -2.538 199 HZ2 LYS 34 1HZ LYS 34 0.273 -22.725 -1.550 200 HZ3 LYS 34 2HZ LYS 34 0.005 -22.225 -3.094 201 H GLY 35 H GLY 35 -2.189 -17.566 -6.787 202 HA2 GLY 35 1HA GLY 35 -2.619 -18.549 -9.006 203 HA3 GLY 35 2HA GLY 35 -4.019 -19.409 -8.332 204 H GLY 36 H GLY 36 -2.813 -16.090 -8.256 205 HA2 GLY 36 1HA GLY 36 -3.976 -15.075 -10.460 206 HA3 GLY 36 2HA GLY 36 -5.371 -15.063 -9.377 207 HA PRO 37 HA PRO 37 -3.584 -11.039 -8.208 208 HB3 PRO 37 2HB PRO 37 -3.898 -9.906 -10.186 209 HG3 PRO 37 2HG PRO 37 -5.480 -10.652 -11.798 210 HD3 PRO 37 2HD PRO 37 -4.317 -12.653 -11.483 211 H ALA 38 H ALA 38 -4.598 -10.348 -6.363 212 HA ALA 38 HA ALA 38 -6.757 -12.141 -5.423 213 HB1 ALA 38 1HB ALA 38 -4.603 -11.791 -4.146 214 HB2 ALA 38 2HB ALA 38 -5.085 -10.116 -3.851 215 HB3 ALA 38 3HB ALA 38 -6.065 -11.463 -3.206 216 H LYS 39 H LYS 39 -8.866 -11.368 -5.775 217 HA LYS 39 HA LYS 39 -9.735 -8.841 -6.383 218 HB3 LYS 39 2HB LYS 39 -11.931 -9.362 -5.581 219 HG3 LYS 39 2HG LYS 39 -10.894 -12.085 -6.362 220 HD3 LYS 39 2HD LYS 39 -13.222 -10.451 -7.442 221 HE3 LYS 39 2HE LYS 39 -12.258 -12.619 -8.581 222 HZ1 LYS 39 3HZ LYS 39 -13.963 -13.754 -6.434 223 HZ2 LYS 39 1HZ LYS 39 -12.367 -14.095 -6.689 224 HZ3 LYS 39 2HZ LYS 39 -13.488 -14.559 -7.787 225 H LEU 40 H LEU 40 -9.521 -6.881 -5.437 226 HA LEU 40 HA LEU 40 -8.871 -6.658 -2.571 227 HB3 LEU 40 2HB LEU 40 -8.661 -4.262 -3.029 228 HG LEU 40 HG LEU 40 -6.940 -3.951 -4.484 229 HD11 LEU 40 1HD1 LEU 40 -6.536 -6.805 -3.520 230 HD12 LEU 40 2HD1 LEU 40 -6.376 -5.360 -2.505 231 HD13 LEU 40 3HD1 LEU 40 -5.276 -5.613 -3.870 232 HD21 LEU 40 3HD2 LEU 40 -7.942 -5.007 -6.493 233 HD22 LEU 40 1HD2 LEU 40 -7.280 -6.559 -5.912 234 HD23 LEU 40 2HD2 LEU 40 -6.207 -5.219 -6.298 235 H TYR 41 H TYR 41 -10.016 -4.853 -1.388 236 HA TYR 41 HA TYR 41 -12.909 -4.696 -1.927 237 HB3 TYR 41 2HB TYR 41 -13.150 -4.987 0.625 238 HD1 TYR 41 1HD TYR 41 -10.963 -7.623 -0.964 239 HD2 TYR 41 2HD TYR 41 -14.892 -6.533 0.453 240 HE1 TYR 41 1HE TYR 41 -11.823 -9.752 -1.740 241 HE2 TYR 41 2HE TYR 41 -15.734 -8.771 -0.119 242 HH TYR 41 HH TYR 41 -14.008 -11.059 -2.135 243 H ASN 42 H ASN 42 -13.896 -3.040 -0.569 244 HA ASN 42 HA ASN 42 -12.128 -0.662 -0.136 245 HB3 ASN 42 2HB ASN 42 -13.798 -0.504 -2.050 246 HD21 ASN 42 1HD2 ASN 42 -15.482 -2.401 -1.629 247 HD22 ASN 42 2HD2 ASN 42 -17.047 -1.868 -1.121 248 H ASP 43 H ASP 43 -13.750 1.016 1.297 249 HA ASP 43 HA ASP 43 -13.457 -0.233 3.901 250 HB3 ASP 43 2HB ASP 43 -14.572 2.478 3.364 251 H LYS 44 H LYS 44 -16.120 0.036 1.743 252 HA LYS 44 HA LYS 44 -18.277 -0.173 3.721 253 HB3 LYS 44 2HB LYS 44 -19.634 -0.882 1.817 254 HG3 LYS 44 2HG LYS 44 -18.926 1.095 0.234 255 HD3 LYS 44 2HD LYS 44 -19.970 1.972 2.938 256 HE3 LYS 44 2HE LYS 44 -20.163 2.788 0.033 257 HZ1 LYS 44 3HZ LYS 44 -22.430 2.383 0.748 258 HZ2 LYS 44 1HZ LYS 44 -22.173 3.989 0.469 259 HZ3 LYS 44 2HZ LYS 44 -22.261 3.400 2.009 260 H GLY 45 H GLY 45 -15.853 -2.166 2.237 261 HA2 GLY 45 1HA GLY 45 -15.211 -4.242 2.678 262 HA3 GLY 45 2HA GLY 45 -16.687 -4.600 3.608 263 H GLU 46 H GLU 46 -16.577 -3.321 0.256 264 HA GLU 46 HA GLU 46 -17.850 -5.842 -0.723 265 HB3 GLU 46 2HB GLU 46 -19.105 -3.519 -0.826 266 HG3 GLU 46 2HG GLU 46 -17.119 -3.254 -2.865 267 H TYR 47 H TYR 47 -16.953 -6.710 -2.809 268 HA TYR 47 HA TYR 47 -14.083 -6.182 -2.916 269 HB3 TYR 47 2HB TYR 47 -15.370 -8.484 -3.272 270 HD1 TYR 47 1HD TYR 47 -13.683 -7.663 -6.424 271 HD2 TYR 47 2HD TYR 47 -17.460 -8.611 -4.617 272 HE1 TYR 47 1HE TYR 47 -14.711 -7.832 -8.687 273 HE2 TYR 47 2HE TYR 47 -18.494 -8.839 -6.852 274 HH TYR 47 HH TYR 47 -16.834 -7.827 -9.795 275 H ILE 48 H ILE 48 -13.040 -5.243 -4.783 276 HA ILE 48 HA ILE 48 -14.825 -3.740 -6.648 277 HB ILE 48 HB ILE 48 -13.497 -1.704 -6.234 278 HG13 ILE 48 2HG1 ILE 48 -11.591 -3.030 -4.976 279 HG21 ILE 48 1HG2 ILE 48 -15.759 -2.198 -5.227 280 HG22 ILE 48 2HG2 ILE 48 -14.952 -2.703 -3.740 281 HG23 ILE 48 3HG2 ILE 48 -14.809 -1.029 -4.305 282 HD11 ILE 48 3HD1 ILE 48 -12.672 -0.280 -4.216 283 HD12 ILE 48 1HD1 ILE 48 -11.114 -0.894 -3.681 284 HD13 ILE 48 2HD1 ILE 48 -11.437 -0.681 -5.428 285 H GLY 49 H GLY 49 -13.247 -6.035 -7.227 286 HA2 GLY 49 1HA GLY 49 -12.332 -6.556 -9.339 287 HA3 GLY 49 2HA GLY 49 -11.634 -4.933 -9.456 288 H ASP 50 H ASP 50 -9.952 -6.874 -9.945 289 HA ASP 50 HA ASP 50 -8.446 -7.533 -7.464 290 HB3 ASP 50 2HB ASP 50 -9.280 -9.443 -8.622 291 H SER 51 H SER 51 -8.325 -5.217 -9.730 292 HA SER 51 HA SER 51 -6.259 -4.132 -8.414 293 HB3 SER 51 2HB SER 51 -4.688 -5.501 -9.672 294 HG SER 51 HG SER 51 -5.536 -5.709 -11.731 295 H TYR 52 H TYR 52 -5.718 -1.910 -9.256 296 HA TYR 52 HA TYR 52 -7.064 -0.631 -11.397 297 HB3 TYR 52 2HB TYR 52 -9.166 -0.970 -10.277 298 HD1 TYR 52 1HD TYR 52 -7.730 1.109 -7.568 299 HD2 TYR 52 2HD TYR 52 -9.346 -2.746 -8.626 300 HE1 TYR 52 1HE TYR 52 -7.900 0.555 -5.214 301 HE2 TYR 52 2HE TYR 52 -9.709 -3.258 -6.297 302 HH TYR 52 HH TYR 52 -9.478 -2.395 -4.024 303 H SER 53 H SER 53 -7.194 1.853 -10.597 304 HA SER 53 HA SER 53 -5.229 2.454 -8.534 305 HB3 SER 53 2HB SER 53 -4.891 4.690 -9.694 306 HG SER 53 HG SER 53 -3.864 2.374 -11.029 307 H ALA 54 H ALA 54 -5.920 4.256 -7.292 308 HA ALA 54 HA ALA 54 -8.686 5.214 -7.701 309 HB1 ALA 54 1HB ALA 54 -7.567 4.376 -4.983 310 HB2 ALA 54 2HB ALA 54 -9.189 5.012 -5.324 311 HB3 ALA 54 3HB ALA 54 -8.710 3.419 -5.945 312 H GLN 55 H GLN 55 -8.953 7.257 -6.233 313 HA GLN 55 HA GLN 55 -6.413 8.793 -6.176 314 HB3 GLN 55 2HB GLN 55 -9.111 9.812 -7.187 315 HG3 GLN 55 2HG GLN 55 -6.243 10.666 -7.695 316 HE21 GLN 55 1HE2 GLN 55 -7.224 13.340 -7.338 317 HE22 GLN 55 2HE2 GLN 55 -7.559 13.803 -8.988 318 H ILE 56 H ILE 56 -6.098 9.958 -4.405 319 HA ILE 56 HA ILE 56 -8.035 9.693 -2.227 320 HB ILE 56 HB ILE 56 -5.574 11.444 -2.159 321 HG13 ILE 56 2HG1 ILE 56 -4.193 9.603 -1.479 322 HG21 ILE 56 1HG2 ILE 56 -7.056 11.629 -0.255 323 HG22 ILE 56 2HG2 ILE 56 -7.059 9.881 -0.007 324 HG23 ILE 56 3HG2 ILE 56 -5.565 10.821 0.229 325 HD11 ILE 56 3HD1 ILE 56 -5.904 7.994 -0.565 326 HD12 ILE 56 1HD1 ILE 56 -6.467 7.702 -2.223 327 HD13 ILE 56 2HD1 ILE 56 -4.815 7.253 -1.747 328 H ARG 57 H ARG 57 -9.846 10.841 -2.500 329 HA ARG 57 HA ARG 57 -9.637 13.805 -2.856 330 HB3 ARG 57 2HB ARG 57 -11.932 13.553 -3.991 331 HG3 ARG 57 2HG ARG 57 -10.980 13.022 -6.251 332 HD3 ARG 57 2HD ARG 57 -8.736 14.632 -5.390 333 HE ARG 57 HE ARG 57 -9.597 15.554 -7.277 334 HH11 ARG 57 1HH1 ARG 57 -12.136 15.517 -4.798 335 HH12 ARG 57 2HH1 ARG 57 -13.376 16.168 -5.805 336 HH21 ARG 57 1HH2 ARG 57 -11.271 16.395 -8.661 337 HH22 ARG 57 2HH2 ARG 57 -12.837 16.804 -8.025 338 H THR 58 H THR 58 -9.559 12.487 -0.462 339 HA THR 58 HA THR 58 -12.131 13.149 0.747 340 HB THR 58 HB THR 58 -11.982 10.823 1.921 341 HG1 THR 58 1HG THR 58 -10.749 9.867 -0.377 342 HG21 THR 58 3HG2 THR 58 -13.712 11.378 0.188 343 HG22 THR 58 1HG2 THR 58 -13.249 9.672 0.232 344 HG23 THR 58 2HG2 THR 58 -12.641 10.729 -1.053 345 H ALA 59 H ALA 59 -11.850 12.861 3.322 346 HA ALA 59 HA ALA 59 -9.302 13.993 4.210 347 HB1 ALA 59 1HB ALA 59 -11.413 14.495 5.386 348 HB2 ALA 59 2HB ALA 59 -11.641 12.766 5.756 349 HB3 ALA 59 3HB ALA 59 -10.278 13.659 6.459 350 H THR 60 H THR 60 -10.837 10.767 4.203 351 HA THR 60 HA THR 60 -8.258 9.500 4.902 352 HB THR 60 HB THR 60 -9.546 8.022 6.463 353 HG1 THR 60 1HG THR 60 -11.572 9.953 6.022 354 HG21 THR 60 3HG2 THR 60 -8.221 9.884 7.371 355 HG22 THR 60 1HG2 THR 60 -9.659 9.535 8.335 356 HG23 THR 60 2HG2 THR 60 -9.633 10.952 7.268 357 H MET 61 H MET 61 -8.013 7.476 4.065 358 HA MET 61 HA MET 61 -10.098 6.312 2.311 359 HB3 MET 61 2HB MET 61 -7.521 5.932 1.077 360 HG3 MET 61 2HG MET 61 -8.517 7.506 -0.631 361 HE1 MET 61 3HE MET 61 -7.892 5.506 -2.042 362 HE2 MET 61 1HE MET 61 -7.674 4.502 -0.595 363 HE3 MET 61 2HE MET 61 -8.655 3.902 -1.951 364 H SER 62 H SER 62 -9.435 4.247 1.588 365 HA SER 62 HA SER 62 -7.341 2.750 2.657 366 HB3 SER 62 2HB SER 62 -8.439 2.800 4.811 367 HG SER 62 HG SER 62 -10.586 1.483 4.664 368 H CYS 63 H CYS 63 -7.437 0.450 2.092 369 HA CYS 63 HA CYS 63 -9.771 -0.598 0.743 370 HB3 CYS 63 2HB CYS 63 -8.439 -1.628 -1.109 371 HG CYS 63 HG CYS 63 -7.832 1.558 -1.157 372 H CYS 64 H CYS 64 -9.514 -3.039 0.673 373 HA CYS 64 HA CYS 64 -7.305 -4.169 2.204 374 HB3 CYS 64 2HB CYS 64 -8.944 -3.717 3.969 375 HG CYS 64 HG CYS 64 -11.213 -3.618 3.686 376 H THR 65 H THR 65 -8.242 -6.800 2.309 377 HA THR 65 HA THR 65 -8.748 -7.577 -0.499 378 HB THR 65 HB THR 65 -6.537 -7.445 -0.906 379 HG1 THR 65 1HG THR 65 -6.628 -9.552 -0.907 380 HG21 THR 65 3HG2 THR 65 -5.875 -6.201 1.086 381 HG22 THR 65 1HG2 THR 65 -4.693 -7.432 0.684 382 HG23 THR 65 2HG2 THR 65 -5.849 -7.743 2.001 383 H ASN 66 H ASN 66 -8.880 -9.964 -0.716 384 HA ASN 66 HA ASN 66 -10.351 -11.069 1.595 385 HB3 ASN 66 2HB ASN 66 -11.394 -11.519 -0.622 386 HD21 ASN 66 1HD2 ASN 66 -9.769 -10.827 -2.367 387 HD22 ASN 66 2HD2 ASN 66 -8.762 -12.070 -3.083 388 H GLY 67 H GLY 67 -9.824 -13.247 2.247 389 HA2 GLY 67 1HA GLY 67 -6.975 -13.331 2.899 390 HA3 GLY 67 2HA GLY 67 -8.254 -14.319 3.632 391 H ASN 68 H ASN 68 -6.726 -13.706 0.548 392 HA ASN 68 HA ASN 68 -5.696 -16.446 0.475 393 HB3 ASN 68 2HB ASN 68 -6.934 -15.281 -2.031 394 HD21 ASN 68 1HD2 ASN 68 -8.060 -17.477 -2.999 395 HD22 ASN 68 2HD2 ASN 68 -6.901 -18.781 -3.313 396 H ALA 69 H ALA 69 -5.372 -13.046 0.028 397 HA ALA 69 HA ALA 69 -3.232 -12.910 -1.829 398 HB1 ALA 69 1HB ALA 69 -2.968 -10.645 -0.927 399 HB2 ALA 69 2HB ALA 69 -4.681 -10.996 -1.180 400 HB3 ALA 69 3HB ALA 69 -3.995 -11.035 0.461 401 H PHE 70 H PHE 70 -1.108 -12.125 -1.273 402 HA PHE 70 HA PHE 70 0.119 -13.199 1.233 403 HB3 PHE 70 2HB PHE 70 2.113 -13.736 -0.209 404 HD1 PHE 70 1HD PHE 70 1.510 -15.571 1.356 405 HD2 PHE 70 2HD PHE 70 -0.423 -15.051 -2.471 406 HE1 PHE 70 1HE PHE 70 0.611 -17.878 1.498 407 HE2 PHE 70 2HE PHE 70 -1.263 -17.383 -2.333 408 HZ PHE 70 HZ PHE 70 -0.792 -18.781 -0.346 409 H PHE 71 H PHE 71 -0.539 -10.396 -0.437 410 HA PHE 71 HA PHE 71 1.145 -8.774 1.154 411 HB3 PHE 71 2HB PHE 71 2.797 -9.413 -0.574 412 HD1 PHE 71 2HD PHE 71 1.279 -6.665 -2.552 413 HD2 PHE 71 1HD PHE 71 2.386 -10.840 -2.460 414 HE1 PHE 71 2HE PHE 71 1.001 -6.803 -4.996 415 HE2 PHE 71 1HE PHE 71 2.187 -10.934 -4.918 416 HZ PHE 71 HZ PHE 71 1.456 -8.929 -6.195 417 H MET 72 H MET 72 0.780 -6.365 0.147 418 HA MET 72 HA MET 72 -1.362 -6.093 -1.720 419 HB3 MET 72 2HB MET 72 -1.670 -4.736 0.996 420 HG3 MET 72 2HG MET 72 -3.779 -5.164 -1.140 421 HE1 MET 72 3HE MET 72 -6.242 -2.499 0.165 422 HE2 MET 72 1HE MET 72 -5.226 -2.702 -1.281 423 HE3 MET 72 2HE MET 72 -6.187 -4.065 -0.677 424 H THR 73 H THR 73 -0.999 -4.062 -2.793 425 HA THR 73 HA THR 73 1.202 -2.357 -1.700 426 HB THR 73 HB THR 73 2.037 -3.798 -3.478 427 HG1 THR 73 1HG THR 73 2.845 -2.124 -4.781 428 HG21 THR 73 3HG2 THR 73 0.017 -4.182 -4.812 429 HG22 THR 73 1HG2 THR 73 1.301 -3.515 -5.797 430 HG23 THR 73 2HG2 THR 73 -0.029 -2.459 -5.285 431 H CYS 74 H CYS 74 1.256 -0.179 -2.894 432 HA CYS 74 HA CYS 74 -1.387 0.962 -3.425 433 HB3 CYS 74 2HB CYS 74 0.259 2.033 -1.077 434 HG CYS 74 HG CYS 74 -2.956 1.842 -1.899 435 H ALA 75 H ALA 75 1.217 0.647 -4.776 436 HA ALA 75 HA ALA 75 3.058 2.757 -4.510 437 HB1 ALA 75 1HB ALA 75 3.495 0.573 -5.572 438 HB2 ALA 75 2HB ALA 75 2.399 0.973 -6.905 439 HB3 ALA 75 3HB ALA 75 3.898 1.882 -6.693 440 H GLY 76 H GLY 76 2.906 5.102 -5.071 441 HA2 GLY 76 1HA GLY 76 0.768 5.817 -6.911 442 HA3 GLY 76 2HA GLY 76 0.474 6.021 -5.165 443 H SER 77 H SER 77 0.366 8.274 -6.345 444 HA SER 77 HA SER 77 2.952 9.636 -6.040 445 HB3 SER 77 2HB SER 77 3.018 8.721 -8.256 446 HG SER 77 HG SER 77 0.785 10.032 -9.191 447 H VAL 78 H VAL 78 2.800 11.912 -6.230 448 HA VAL 78 HA VAL 78 0.173 13.087 -5.424 449 HB VAL 78 HB VAL 78 2.934 13.547 -4.189 450 HG11 VAL 78 1HG1 VAL 78 1.636 15.680 -4.213 451 HG12 VAL 78 2HG1 VAL 78 0.304 14.876 -3.377 452 HG13 VAL 78 3HG1 VAL 78 1.873 15.075 -2.581 453 HG21 VAL 78 3HG2 VAL 78 0.446 12.454 -2.852 454 HG22 VAL 78 1HG2 VAL 78 1.842 11.474 -3.346 455 HG23 VAL 78 2HG2 VAL 78 2.027 12.705 -2.101 456 H SER 79 H SER 79 -0.119 15.219 -6.418 457 HA SER 79 HA SER 79 2.253 16.600 -7.457 458 HB3 SER 79 2HB SER 79 1.280 16.912 -9.712 459 HG SER 79 HG SER 79 2.073 14.456 -8.793 460 H SER 80 H SER 80 1.639 18.729 -8.368 461 HA SER 80 HA SER 80 -0.926 19.807 -7.848 462 HB3 SER 80 2HB SER 80 0.827 19.777 -5.625 463 HG SER 80 HG SER 80 0.916 21.965 -5.157 464 H ILE 81 H ILE 81 -0.880 22.145 -8.326 465 HA ILE 81 HA ILE 81 0.968 23.035 -10.448 466 HB ILE 81 HB ILE 81 -1.025 23.101 -12.012 467 HG13 ILE 81 2HG1 ILE 81 -2.650 22.740 -9.967 468 HG21 ILE 81 1HG2 ILE 81 0.731 21.332 -12.198 469 HG22 ILE 81 2HG2 ILE 81 -0.316 20.255 -11.247 470 HG23 ILE 81 3HG2 ILE 81 -0.861 20.843 -12.812 471 HD11 ILE 81 3HD1 ILE 81 -4.367 21.794 -11.401 472 HD12 ILE 81 1HD1 ILE 81 -3.464 23.062 -12.217 473 HD13 ILE 81 2HD1 ILE 81 -3.135 21.361 -12.617 474 H SER 82 H SER 82 -0.476 23.938 -7.717 475 HA SER 82 HA SER 82 -2.118 26.158 -8.743 476 HB3 SER 82 2HB SER 82 -1.927 24.949 -5.963 477 HG SER 82 HG SER 82 -4.089 25.869 -5.872 478 H GLU 83 H GLU 83 -2.071 27.793 -6.651 479 HA GLU 83 HA GLU 83 0.249 29.434 -7.112 480 HB3 GLU 83 2HB GLU 83 -0.675 30.961 -5.538 481 HG3 GLU 83 2HG GLU 83 -3.167 29.493 -6.521 482 H ALA 84 H ALA 84 1.771 30.099 -5.436 483 HA ALA 84 HA ALA 84 2.927 28.133 -3.762 484 HB1 ALA 84 1HB ALA 84 4.109 30.168 -4.584 485 HB2 ALA 84 2HB ALA 84 3.041 31.173 -3.579 486 HB3 ALA 84 3HB ALA 84 4.182 30.048 -2.813 487 H GLY 85 H GLY 85 3.008 28.116 -1.417 488 HA2 GLY 85 1HA GLY 85 2.223 28.294 0.726 489 HA3 GLY 85 2HA GLY 85 1.146 29.594 0.227 490 H LYS 86 H LYS 86 0.521 26.897 -1.752 491 HA LYS 86 HA LYS 86 -1.876 26.077 -0.262 492 HB3 LYS 86 2HB LYS 86 -2.229 24.523 -2.060 493 HG3 LYS 86 2HG LYS 86 -2.402 26.000 -4.014 494 HD3 LYS 86 2HD LYS 86 -3.797 26.294 -1.630 495 HE3 LYS 86 2HE LYS 86 -3.010 29.065 -2.635 496 HZ1 LYS 86 3HZ LYS 86 -4.304 29.760 -0.746 497 HZ2 LYS 86 1HZ LYS 86 -4.582 28.215 -0.284 498 HZ3 LYS 86 2HZ LYS 86 -5.245 28.775 -1.685 499 H ARG 87 H ARG 87 -1.634 24.689 1.348 500 HA ARG 87 HA ARG 87 0.950 23.265 1.799 501 HB3 ARG 87 2HB ARG 87 -0.147 22.746 4.008 502 HG3 ARG 87 2HG ARG 87 -0.623 25.693 3.470 503 HD3 ARG 87 2HD ARG 87 -0.793 24.484 5.807 504 HE ARG 87 HE ARG 87 1.450 23.388 5.577 505 HH11 ARG 87 1HH1 ARG 87 1.410 26.791 6.667 506 HH12 ARG 87 2HH1 ARG 87 3.157 26.866 6.774 507 HH21 ARG 87 1HH2 ARG 87 3.663 23.396 6.290 508 HH22 ARG 87 2HH2 ARG 87 4.365 24.913 6.781 509 H LEU 88 H LEU 88 0.956 20.990 2.471 510 HA LEU 88 HA LEU 88 -1.373 19.432 1.930 511 HB3 LEU 88 2HB LEU 88 1.004 18.602 0.350 512 HG LEU 88 HG LEU 88 -0.680 17.842 -1.306 513 HD11 LEU 88 1HD1 LEU 88 -1.383 16.612 1.343 514 HD12 LEU 88 2HD1 LEU 88 0.215 16.410 0.562 515 HD13 LEU 88 3HD1 LEU 88 -1.250 15.865 -0.252 516 HD21 LEU 88 3HD2 LEU 88 -3.003 17.809 -0.965 517 HD22 LEU 88 1HD2 LEU 88 -2.491 19.476 -0.675 518 HD23 LEU 88 2HD2 LEU 88 -2.881 18.398 0.689 519 H HIS 89 H HIS 89 -1.212 17.619 3.240 520 HA HIS 89 HA HIS 89 1.432 16.816 4.348 521 HB3 HIS 89 2HB HIS 89 -1.152 17.063 5.912 522 HD1 HIS 89 1HD HIS 89 1.357 17.904 8.242 523 HD2 HIS 89 2HD HIS 89 -0.085 14.310 6.575 524 HE1 HIS 89 1HE HIS 89 1.939 16.040 9.887 525 H ILE 90 H ILE 90 1.583 14.567 4.537 526 HA ILE 90 HA ILE 90 -0.627 12.924 3.398 527 HB ILE 90 HB ILE 90 2.292 13.204 2.733 528 HG13 ILE 90 2HG1 ILE 90 1.697 13.352 0.469 529 HG21 ILE 90 1HG2 ILE 90 0.714 10.718 2.138 530 HG22 ILE 90 2HG2 ILE 90 2.330 11.162 1.478 531 HG23 ILE 90 3HG2 ILE 90 2.152 10.843 3.181 532 HD11 ILE 90 3HD1 ILE 90 -0.659 13.363 -0.345 533 HD12 ILE 90 1HD1 ILE 90 -0.009 11.774 0.024 534 HD13 ILE 90 2HD1 ILE 90 -1.143 12.559 1.165 535 H THR 91 H THR 91 -0.873 10.909 4.377 536 HA THR 91 HA THR 91 1.225 9.903 6.177 537 HB THR 91 HB THR 91 -1.688 10.161 6.970 538 HG1 THR 91 1HG THR 91 0.519 11.857 7.380 539 HG21 THR 91 3HG2 THR 91 -0.901 9.621 9.241 540 HG22 THR 91 1HG2 THR 91 0.768 9.520 8.652 541 HG23 THR 91 2HG2 THR 91 -0.452 8.331 8.117 542 H VAL 92 H VAL 92 1.455 7.710 5.665 543 HA VAL 92 HA VAL 92 -0.834 6.339 4.413 544 HB VAL 92 HB VAL 92 1.117 7.725 3.160 545 HG11 VAL 92 1HG1 VAL 92 2.521 5.196 2.850 546 HG12 VAL 92 2HG1 VAL 92 2.851 6.795 2.139 547 HG13 VAL 92 3HG1 VAL 92 2.994 6.565 3.888 548 HG21 VAL 92 3HG2 VAL 92 -0.130 5.192 2.143 549 HG22 VAL 92 1HG2 VAL 92 -0.893 6.806 2.317 550 HG23 VAL 92 2HG2 VAL 92 0.453 6.594 1.173 551 H ILE 93 H ILE 93 -1.116 4.307 5.273 552 HA ILE 93 HA ILE 93 1.130 3.145 6.830 553 HB ILE 93 HB ILE 93 -1.664 3.751 7.849 554 HG13 ILE 93 2HG1 ILE 93 -0.012 5.691 7.884 555 HG21 ILE 93 1HG2 ILE 93 -0.911 2.755 10.019 556 HG22 ILE 93 2HG2 ILE 93 -1.016 1.580 8.734 557 HG23 ILE 93 3HG2 ILE 93 0.575 2.225 9.220 558 HD11 ILE 93 3HD1 ILE 93 -1.132 4.880 10.578 559 HD12 ILE 93 1HD1 ILE 93 -0.725 6.502 10.004 560 HD13 ILE 93 2HD1 ILE 93 -2.075 5.636 9.268 561 H GLY 94 H GLY 94 0.897 0.834 7.212 562 HA2 GLY 94 1HA GLY 94 -1.026 -0.568 5.459 563 HA3 GLY 94 2HA GLY 94 0.717 -0.851 5.302 564 H TYR 95 H TYR 95 -1.694 -2.467 6.156 565 HA TYR 95 HA TYR 95 -1.013 -3.277 8.909 566 HB3 TYR 95 2HB TYR 95 -3.593 -3.592 8.918 567 HD1 TYR 95 2HD TYR 95 -2.410 -2.628 11.010 568 HD2 TYR 95 1HD TYR 95 -4.091 -0.324 7.781 569 HE1 TYR 95 2HE TYR 95 -2.427 -0.625 12.484 570 HE2 TYR 95 1HE TYR 95 -4.254 1.634 9.325 571 HH TYR 95 HH TYR 95 -3.558 2.574 11.318 572 H ILE 96 H ILE 96 -1.377 -5.454 9.390 573 HA ILE 96 HA ILE 96 -1.981 -7.377 7.200 574 HB ILE 96 HB ILE 96 0.495 -7.444 8.980 575 HG13 ILE 96 2HG1 ILE 96 0.826 -5.763 7.310 576 HG21 ILE 96 1HG2 ILE 96 1.134 -9.452 7.844 577 HG22 ILE 96 2HG2 ILE 96 -0.511 -9.717 8.373 578 HG23 ILE 96 3HG2 ILE 96 -0.192 -9.307 6.669 579 HD11 ILE 96 3HD1 ILE 96 2.681 -7.528 7.443 580 HD12 ILE 96 1HD1 ILE 96 2.005 -8.156 5.907 581 HD13 ILE 96 2HD1 ILE 96 2.614 -6.511 5.993 582 H ASP 97 H ASP 97 -3.557 -8.525 7.905 583 HA ASP 97 HA ASP 97 -5.165 -9.436 8.977 584 HB3 ASP 97 2HB ASP 97 -3.392 -10.774 10.975 585 H ASP 98 H ASP 98 -3.111 -8.429 11.777 586 HA ASP 98 HA ASP 98 -5.045 -6.438 12.350 587 HB3 ASP 98 2HB ASP 98 -4.881 -8.276 14.732 588 H LYS 99 H LYS 99 -2.357 -6.354 11.690 589 HA LYS 99 HA LYS 99 -1.253 -4.914 14.039 590 HB3 LYS 99 2HB LYS 99 1.065 -5.756 12.959 591 HG3 LYS 99 2HG LYS 99 0.240 -7.972 14.485 592 HD3 LYS 99 2HD LYS 99 2.458 -6.869 14.676 593 HE3 LYS 99 2HE LYS 99 0.809 -4.754 16.127 594 HZ1 LYS 99 3HZ LYS 99 2.894 -3.868 16.892 595 HZ2 LYS 99 1HZ LYS 99 3.749 -5.050 16.132 596 HZ3 LYS 99 2HZ LYS 99 2.771 -5.411 17.390 597 H GLU 100 H GLU 100 0.124 -3.337 13.547 598 HA GLU 100 HA GLU 100 0.064 -2.148 10.793 599 HB3 GLU 100 2HB GLU 100 1.507 -1.004 13.223 600 HG3 GLU 100 2HG GLU 100 0.279 0.502 10.891 601 H VAL 101 H VAL 101 1.975 -2.324 9.565 602 HA VAL 101 HA VAL 101 4.439 -3.157 11.036 603 HB VAL 101 HB VAL 101 5.130 -4.592 9.201 604 HG11 VAL 101 1HG1 VAL 101 3.917 -5.587 11.129 605 HG12 VAL 101 2HG1 VAL 101 2.395 -5.469 10.222 606 HG13 VAL 101 3HG1 VAL 101 3.710 -6.502 9.630 607 HG21 VAL 101 3HG2 VAL 101 3.839 -3.557 7.337 608 HG22 VAL 101 1HG2 VAL 101 3.654 -5.287 7.439 609 HG23 VAL 101 2HG2 VAL 101 2.343 -4.222 8.015 610 H ASN 102 H ASN 102 3.077 -1.055 8.450 611 HA ASN 102 HA ASN 102 5.797 -0.032 7.880 612 HB3 ASN 102 2HB ASN 102 3.904 -1.146 5.762 613 HD21 ASN 102 1HD2 ASN 102 5.989 -2.188 4.212 614 HD22 ASN 102 2HD2 ASN 102 6.899 -0.841 3.509 615 H ARG 103 H ARG 103 5.700 2.106 7.068 616 HA ARG 103 HA ARG 103 3.345 3.456 6.269 617 HB3 ARG 103 2HB ARG 103 2.423 3.418 8.439 618 HG3 ARG 103 2HG ARG 103 5.208 3.423 9.552 619 HD3 ARG 103 2HD ARG 103 4.040 3.641 11.804 620 HE ARG 103 HE ARG 103 5.179 5.573 10.224 621 HH11 ARG 103 1HH1 ARG 103 2.646 5.616 12.761 622 HH12 ARG 103 2HH1 ARG 103 3.253 7.098 13.437 623 HH21 ARG 103 1HH2 ARG 103 5.699 7.659 10.964 624 HH22 ARG 103 2HH2 ARG 103 4.910 8.307 12.373 625 H LEU 104 H LEU 104 3.721 5.802 5.772 626 HA LEU 104 HA LEU 104 6.094 6.899 7.007 627 HB3 LEU 104 2HB LEU 104 7.076 5.841 5.020 628 HG LEU 104 HG LEU 104 5.011 6.323 3.518 629 HD11 LEU 104 1HD1 LEU 104 6.622 8.857 3.148 630 HD12 LEU 104 2HD1 LEU 104 4.885 8.720 3.500 631 HD13 LEU 104 3HD1 LEU 104 5.487 8.232 1.921 632 HD21 LEU 104 3HD2 LEU 104 7.859 6.568 2.506 633 HD22 LEU 104 1HD2 LEU 104 6.451 6.124 1.515 634 HD23 LEU 104 2HD2 LEU 104 6.968 5.062 2.826 635 H GLU 105 H GLU 105 6.277 9.332 6.243 636 HA GLU 105 HA GLU 105 3.575 10.394 5.757 637 HB3 GLU 105 2HB GLU 105 3.839 11.956 7.641 638 HG3 GLU 105 2HG GLU 105 4.550 9.125 8.570 639 H LYS 106 H LYS 106 3.641 12.672 4.941 640 HA LYS 106 HA LYS 106 6.238 13.767 4.315 641 HB3 LYS 106 2HB LYS 106 5.425 14.345 1.917 642 HG3 LYS 106 2HG LYS 106 7.115 12.298 2.743 643 HD3 LYS 106 2HD LYS 106 5.101 10.788 2.152 644 HE3 LYS 106 2HE LYS 106 4.834 12.207 -0.011 645 HZ1 LYS 106 3HZ LYS 106 6.881 11.997 -1.173 646 HZ2 LYS 106 1HZ LYS 106 6.130 10.691 -1.816 647 HZ3 LYS 106 2HZ LYS 106 7.194 10.566 -0.588 648 H GLU 107 H GLU 107 5.860 15.891 3.141 649 HA GLU 107 HA GLU 107 3.444 17.295 3.765 650 HB3 GLU 107 2HB GLU 107 5.976 18.485 4.975 651 HG3 GLU 107 2HG GLU 107 3.022 19.055 5.513 652 H TYR 108 H TYR 108 3.390 19.264 2.487 653 HA TYR 108 HA TYR 108 5.613 19.872 0.618 654 HB3 TYR 108 2HB TYR 108 4.118 19.955 -1.219 655 HD1 TYR 108 2HD TYR 108 2.759 17.101 0.747 656 HD2 TYR 108 1HD TYR 108 5.615 18.402 -2.171 657 HE1 TYR 108 2HE TYR 108 3.310 14.719 0.222 658 HE2 TYR 108 1HE TYR 108 5.829 16.153 -3.007 659 HH TYR 108 HH TYR 108 5.798 13.912 -2.148 660 H ILE 109 H ILE 109 5.422 22.060 -0.077 661 HA ILE 109 HA ILE 109 3.026 23.550 0.493 662 HB ILE 109 HB ILE 109 5.731 24.750 1.126 663 HG13 ILE 109 2HG1 ILE 109 5.279 23.062 2.883 664 HG21 ILE 109 1HG2 ILE 109 2.865 25.684 1.751 665 HG22 ILE 109 2HG2 ILE 109 4.339 26.636 2.000 666 HG23 ILE 109 3HG2 ILE 109 3.825 26.257 0.377 667 HD11 ILE 109 3HD1 ILE 109 5.652 24.425 4.763 668 HD12 ILE 109 1HD1 ILE 109 6.373 25.298 3.394 669 HD13 ILE 109 2HD1 ILE 109 4.784 25.797 4.047 670 H THR 110 H THR 110 2.683 24.794 -1.371 671 HA THR 110 HA THR 110 4.483 24.365 -3.655 672 HB THR 110 HB THR 110 2.765 26.179 -4.612 673 HG1 THR 110 1HG THR 110 1.033 26.392 -3.600 674 HG21 THR 110 3HG2 THR 110 1.123 24.415 -5.096 675 HG22 THR 110 1HG2 THR 110 1.829 23.367 -3.850 676 HG23 THR 110 2HG2 THR 110 2.775 23.797 -5.292 677 H ASP 111 H ASP 111 5.760 26.016 -4.558 678 HA ASP 111 HA ASP 111 5.947 28.554 -3.007 679 HB3 ASP 111 2HB ASP 111 8.575 27.549 -3.854 680 H GLY 112 H GLY 112 5.033 27.401 -5.837 681 HA2 GLY 112 1HA GLY 112 4.444 29.051 -7.469 682 HA3 GLY 112 2HA GLY 112 6.097 29.677 -7.424 683 H ASN 113 H ASN 113 6.664 26.457 -7.138 684 HA ASN 113 HA ASN 113 7.153 26.073 -9.990 685 HB3 ASN 113 2HB ASN 113 8.399 24.143 -9.257 686 HD21 ASN 113 1HD2 ASN 113 9.931 25.816 -9.676 687 HD22 ASN 113 2HD2 ASN 113 10.859 26.492 -8.306 688 H THR 114 H THR 114 6.512 23.860 -10.944 689 HA THR 114 HA THR 114 3.924 22.777 -10.274 690 HB THR 114 HB THR 114 4.968 20.776 -11.524 691 HG1 THR 114 1HG THR 114 6.974 20.864 -11.698 692 HG21 THR 114 3HG2 THR 114 4.913 21.898 -13.715 693 HG22 THR 114 1HG2 THR 114 4.914 23.483 -12.918 694 HG23 THR 114 2HG2 THR 114 3.551 22.353 -12.679 695 H LEU 115 H LEU 115 3.658 20.627 -9.243 696 HA LEU 115 HA LEU 115 5.827 19.899 -7.329 697 HB3 LEU 115 2HB LEU 115 2.868 19.995 -6.712 698 HG LEU 115 HG LEU 115 5.243 19.110 -5.257 699 HD11 LEU 115 1HD1 LEU 115 5.177 21.526 -4.466 700 HD12 LEU 115 2HD1 LEU 115 5.045 20.304 -3.209 701 HD13 LEU 115 3HD1 LEU 115 3.587 21.172 -3.735 702 HD21 LEU 115 3HD2 LEU 115 2.431 19.273 -4.151 703 HD22 LEU 115 1HD2 LEU 115 3.699 18.036 -3.896 704 HD23 LEU 115 2HD2 LEU 115 2.835 18.129 -5.435 705 H ILE 116 H ILE 116 6.146 17.685 -7.173 706 HA ILE 116 HA ILE 116 4.299 15.741 -8.192 707 HB ILE 116 HB ILE 116 6.806 16.314 -9.826 708 HG13 ILE 116 2HG1 ILE 116 4.997 17.595 -10.568 709 HG21 ILE 116 1HG2 ILE 116 6.692 13.864 -9.402 710 HG22 ILE 116 2HG2 ILE 116 5.001 13.843 -9.963 711 HG23 ILE 116 3HG2 ILE 116 6.342 14.220 -11.068 712 HD11 ILE 116 3HD1 ILE 116 4.611 15.231 -12.382 713 HD12 ILE 116 1HD1 ILE 116 4.474 16.953 -12.760 714 HD13 ILE 116 2HD1 ILE 116 6.075 16.252 -12.450 715 H GLU 117 H GLU 117 4.847 13.769 -7.348 716 HA GLU 117 HA GLU 117 7.396 13.104 -6.178 717 HB3 GLU 117 2HB GLU 117 5.851 12.750 -3.888 718 HG3 GLU 117 2HG GLU 117 7.115 14.739 -2.980 719 H THR 118 H THR 118 7.162 10.922 -5.039 720 HA THR 118 HA THR 118 4.780 9.264 -5.751 721 HB THR 118 HB THR 118 6.073 7.466 -6.525 722 HG1 THR 118 1HG THR 118 8.117 8.031 -5.523 723 HG21 THR 118 3HG2 THR 118 5.213 9.166 -8.163 724 HG22 THR 118 1HG2 THR 118 6.624 8.286 -8.753 725 HG23 THR 118 2HG2 THR 118 6.810 9.935 -8.152 726 H PHE 119 H PHE 119 4.831 7.229 -4.549 727 HA PHE 119 HA PHE 119 6.625 7.174 -2.197 728 HB3 PHE 119 2HB PHE 119 4.834 8.491 -1.290 729 HD1 PHE 119 2HD PHE 119 3.171 9.055 -3.241 730 HD2 PHE 119 1HD PHE 119 2.737 5.734 -0.510 731 HE1 PHE 119 2HE PHE 119 0.712 9.133 -3.513 732 HE2 PHE 119 1HE PHE 119 0.292 5.705 -0.967 733 HZ PHE 119 HZ PHE 119 -0.722 7.477 -2.356 734 H SER 120 H SER 120 6.360 5.006 -0.940 735 HA SER 120 HA SER 120 4.679 3.079 -2.222 736 HB3 SER 120 2HB SER 120 6.240 2.567 -3.748 737 HG SER 120 HG SER 120 8.299 2.663 -3.632 738 H VAL 121 H VAL 121 3.960 1.731 -0.931 739 HA VAL 121 HA VAL 121 5.159 0.778 1.545 740 HB VAL 121 HB VAL 121 2.550 2.328 1.332 741 HG11 VAL 121 1HG1 VAL 121 3.356 0.435 3.575 742 HG12 VAL 121 2HG1 VAL 121 2.039 1.635 3.664 743 HG13 VAL 121 3HG1 VAL 121 1.935 0.312 2.502 744 HG21 VAL 121 3HG2 VAL 121 4.449 3.712 1.992 745 HG22 VAL 121 1HG2 VAL 121 3.541 3.382 3.477 746 HG23 VAL 121 2HG2 VAL 121 5.021 2.485 3.142 747 H SER 122 H SER 122 5.372 -1.162 0.556 748 HA SER 122 HA SER 122 2.941 -2.586 -0.375 749 HB3 SER 122 2HB SER 122 5.851 -3.476 -0.212 750 HG SER 122 HG SER 122 4.937 -5.211 -1.541 751 H THR 123 H THR 123 3.043 -4.828 0.872 752 HA THR 123 HA THR 123 3.682 -4.453 3.747 753 HB THR 123 HB THR 123 1.512 -5.747 4.270 754 HG1 THR 123 1HG THR 123 0.882 -4.632 1.737 755 HG21 THR 123 3HG2 THR 123 1.418 -2.833 3.440 756 HG22 THR 123 1HG2 THR 123 1.872 -3.482 5.021 757 HG23 THR 123 2HG2 THR 123 0.204 -3.667 4.430 758 H LYS 124 H LYS 124 4.693 -6.019 1.166 759 HA LYS 124 HA LYS 124 5.739 -8.036 2.908 760 HB3 LYS 124 2HB LYS 124 4.668 -9.131 0.373 761 HG3 LYS 124 2HG LYS 124 6.302 -10.363 2.014 762 HD3 LYS 124 2HD LYS 124 4.308 -12.104 2.969 763 HE3 LYS 124 2HE LYS 124 4.965 -11.569 5.227 764 HZ1 LYS 124 3HZ LYS 124 7.474 -10.984 4.029 765 HZ2 LYS 124 1HZ LYS 124 6.756 -12.317 3.374 766 HZ3 LYS 124 2HZ LYS 124 7.062 -12.253 5.015 767 H GLU 125 H GLU 125 7.736 -7.677 2.520 768 HA GLU 125 HA GLU 125 9.043 -7.730 -0.087 769 HB3 GLU 125 2HB GLU 125 10.314 -5.564 1.209 770 HG3 GLU 125 2HG GLU 125 8.765 -4.196 -0.505 771 H ILE 126 H ILE 126 11.161 -8.603 0.239 772 HA ILE 126 HA ILE 126 11.748 -9.464 3.032 773 HB ILE 126 HB ILE 126 12.517 -10.851 0.428 774 HG13 ILE 126 2HG1 ILE 126 10.968 -12.666 1.017 775 HG21 ILE 126 1HG2 ILE 126 13.227 -12.710 1.910 776 HG22 ILE 126 2HG2 ILE 126 14.125 -11.229 2.209 777 HG23 ILE 126 3HG2 ILE 126 12.847 -11.698 3.338 778 HD11 ILE 126 3HD1 ILE 126 10.592 -12.120 3.478 779 HD12 ILE 126 1HD1 ILE 126 9.639 -10.723 2.951 780 HD13 ILE 126 2HD1 ILE 126 9.118 -12.360 2.530 Start of MODEL 12 1 H1 GLY 1 H GLY 1 11.723 -26.643 4.620 2 HA2 GLY 1 1HA GLY 1 13.182 -24.846 5.450 3 HA3 GLY 1 2HA GLY 1 13.048 -24.833 3.686 4 H ALA 2 H ALA 2 13.102 -22.731 3.092 5 HA ALA 2 HA ALA 2 11.738 -20.675 4.725 6 HB1 ALA 2 1HB ALA 2 13.791 -20.495 2.486 7 HB2 ALA 2 2HB ALA 2 13.140 -19.133 3.423 8 HB3 ALA 2 3HB ALA 2 14.130 -20.372 4.224 9 H SER 3 H SER 3 9.654 -20.273 4.096 10 HA SER 3 HA SER 3 9.231 -19.314 1.452 11 HB3 SER 3 2HB SER 3 7.136 -20.551 1.021 12 HG SER 3 HG SER 3 8.099 -22.798 0.998 13 H ASP 4 H ASP 4 7.217 -17.989 1.494 14 HA ASP 4 HA ASP 4 6.784 -16.609 3.918 15 HB3 ASP 4 2HB ASP 4 4.566 -15.908 2.624 16 H PHE 5 H PHE 5 5.453 -16.913 5.655 17 HA PHE 5 HA PHE 5 3.121 -18.659 5.386 18 HB3 PHE 5 2HB PHE 5 4.764 -18.825 7.901 19 HD1 PHE 5 1HD PHE 5 3.469 -20.705 5.015 20 HD2 PHE 5 2HD PHE 5 3.560 -20.335 9.263 21 HE1 PHE 5 1HE PHE 5 2.000 -22.762 5.196 22 HE2 PHE 5 2HE PHE 5 2.109 -22.358 9.502 23 HZ PHE 5 HZ PHE 5 1.327 -23.575 7.467 24 H GLN 6 H GLN 6 3.633 -15.800 5.672 25 HA GLN 6 HA GLN 6 1.615 -15.128 7.745 26 HB3 GLN 6 2HB GLN 6 3.082 -12.957 7.841 27 HG3 GLN 6 2HG GLN 6 4.081 -15.483 9.229 28 HE21 GLN 6 1HE2 GLN 6 6.117 -14.534 9.676 29 HE22 GLN 6 2HE2 GLN 6 6.293 -13.153 10.756 30 H THR 7 H THR 7 -0.058 -14.408 6.645 31 HA THR 7 HA THR 7 -0.062 -12.148 5.017 32 HB THR 7 HB THR 7 0.887 -13.507 3.250 33 HG1 THR 7 1HG THR 7 -1.140 -13.418 1.872 34 HG21 THR 7 3HG2 THR 7 -1.467 -15.322 3.772 35 HG22 THR 7 1HG2 THR 7 0.251 -15.729 3.953 36 HG23 THR 7 2HG2 THR 7 -0.424 -15.430 2.337 37 H GLY 8 H GLY 8 -2.491 -12.377 3.871 38 HA2 GLY 8 1HA GLY 8 -4.526 -13.833 4.363 39 HA3 GLY 8 2HA GLY 8 -4.394 -13.227 6.013 40 H ILE 9 H ILE 9 -5.005 -11.126 6.477 41 HA ILE 9 HA ILE 9 -6.531 -9.723 4.324 42 HB ILE 9 HB ILE 9 -7.067 -9.782 7.321 43 HG13 ILE 9 2HG1 ILE 9 -7.624 -11.913 6.083 44 HG21 ILE 9 1HG2 ILE 9 -7.668 -7.601 6.229 45 HG22 ILE 9 2HG2 ILE 9 -8.631 -8.477 5.031 46 HG23 ILE 9 3HG2 ILE 9 -9.103 -8.478 6.741 47 HD11 ILE 9 3HD1 ILE 9 -8.904 -11.216 8.091 48 HD12 ILE 9 1HD1 ILE 9 -10.127 -10.489 7.009 49 HD13 ILE 9 2HD1 ILE 9 -9.802 -12.228 6.957 50 H HIS 10 H HIS 10 -5.072 -8.348 3.595 51 HA HIS 10 HA HIS 10 -3.405 -6.723 5.425 52 HB3 HIS 10 2HB HIS 10 -2.550 -5.796 3.284 53 HD1 HIS 10 1HD HIS 10 -0.271 -6.806 3.821 54 HD2 HIS 10 2HD HIS 10 -3.153 -9.648 2.695 55 HE1 HIS 10 1HE HIS 10 0.982 -9.034 3.549 56 H LYS 11 H LYS 11 -3.725 -4.406 5.416 57 HA LYS 11 HA LYS 11 -6.051 -3.300 3.980 58 HB3 LYS 11 2HB LYS 11 -5.625 -3.142 6.994 59 HG3 LYS 11 2HG LYS 11 -7.706 -1.652 5.356 60 HD3 LYS 11 2HD LYS 11 -7.929 -0.540 7.728 61 HE3 LYS 11 2HE LYS 11 -9.716 -1.839 6.393 62 HZ1 LYS 11 3HZ LYS 11 -10.457 -3.782 7.657 63 HZ2 LYS 11 1HZ LYS 11 -9.073 -3.822 8.496 64 HZ3 LYS 11 2HZ LYS 11 -9.082 -4.131 6.866 65 H ILE 12 H ILE 12 -5.780 -1.051 3.606 66 HA ILE 12 HA ILE 12 -3.289 0.203 4.601 67 HB ILE 12 HB ILE 12 -4.560 0.721 1.907 68 HG13 ILE 12 2HG1 ILE 12 -2.731 -0.252 0.744 69 HG21 ILE 12 1HG2 ILE 12 -3.508 2.729 2.764 70 HG22 ILE 12 2HG2 ILE 12 -2.010 1.870 3.111 71 HG23 ILE 12 3HG2 ILE 12 -2.548 2.102 1.432 72 HD11 ILE 12 3HD1 ILE 12 -0.949 -1.531 1.750 73 HD12 ILE 12 1HD1 ILE 12 -0.796 0.152 2.240 74 HD13 ILE 12 2HD1 ILE 12 -1.449 -1.047 3.386 75 H VAL 13 H VAL 13 -3.671 2.380 5.217 76 HA VAL 13 HA VAL 13 -6.429 3.475 5.032 77 HB VAL 13 HB VAL 13 -4.595 3.580 7.476 78 HG11 VAL 13 1HG1 VAL 13 -7.451 4.593 7.146 79 HG12 VAL 13 2HG1 VAL 13 -6.474 4.653 8.626 80 HG13 VAL 13 3HG1 VAL 13 -5.996 5.610 7.217 81 HG21 VAL 13 3HG2 VAL 13 -6.293 2.228 8.644 82 HG22 VAL 13 1HG2 VAL 13 -7.197 2.034 7.125 83 HG23 VAL 13 2HG2 VAL 13 -5.575 1.328 7.316 84 H ILE 14 H ILE 14 -6.342 5.614 4.273 85 HA ILE 14 HA ILE 14 -3.576 6.745 3.882 86 HB ILE 14 HB ILE 14 -5.831 6.659 1.838 87 HG13 ILE 14 2HG1 ILE 14 -4.838 4.405 2.208 88 HG21 ILE 14 1HG2 ILE 14 -3.971 7.516 0.313 89 HG22 ILE 14 2HG2 ILE 14 -4.524 8.639 1.532 90 HG23 ILE 14 3HG2 ILE 14 -3.015 7.759 1.816 91 HD11 ILE 14 3HD1 ILE 14 -3.939 5.454 -0.464 92 HD12 ILE 14 1HD1 ILE 14 -4.376 3.799 -0.016 93 HD13 ILE 14 2HD1 ILE 14 -5.629 5.048 -0.059 94 H GLN 15 H GLN 15 -3.432 9.043 4.147 95 HA GLN 15 HA GLN 15 -5.965 10.524 4.451 96 HB3 GLN 15 2HB GLN 15 -5.327 11.345 6.620 97 HG3 GLN 15 2HG GLN 15 -4.848 8.342 6.812 98 HE21 GLN 15 1HE2 GLN 15 -5.471 7.390 8.897 99 HE22 GLN 15 2HE2 GLN 15 -5.696 8.445 10.277 100 H GLN 16 H GLN 16 -5.702 12.816 4.489 101 HA GLN 16 HA GLN 16 -3.063 13.943 3.821 102 HB3 GLN 16 2HB GLN 16 -3.840 13.603 1.626 103 HG3 GLN 16 2HG GLN 16 -6.494 14.765 2.478 104 HE21 GLN 16 1HE2 GLN 16 -7.833 13.859 0.158 105 HE22 GLN 16 2HE2 GLN 16 -7.335 14.815 -1.225 106 H SER 17 H SER 17 -3.006 16.272 4.125 107 HA SER 17 HA SER 17 -5.070 17.701 5.509 108 HB3 SER 17 2HB SER 17 -3.810 18.186 7.506 109 HG SER 17 HG SER 17 -3.298 15.415 7.159 110 H GLY 18 H GLY 18 -4.380 20.071 5.492 111 HA2 GLY 18 1HA GLY 18 -2.637 21.678 4.874 112 HA3 GLY 18 2HA GLY 18 -2.186 20.606 3.541 113 H ASP 19 H ASP 19 -3.101 21.087 1.582 114 HA ASP 19 HA ASP 19 -5.809 22.352 1.491 115 HB3 ASP 19 2HB ASP 19 -3.468 22.740 -0.417 116 H THR 20 H THR 20 -7.117 20.584 1.307 117 HA THR 20 HA THR 20 -6.306 18.205 -0.155 118 HB THR 20 HB THR 20 -8.756 17.603 0.435 119 HG1 THR 20 1HG THR 20 -9.466 19.783 0.801 120 HG21 THR 20 3HG2 THR 20 -6.738 16.913 1.776 121 HG22 THR 20 1HG2 THR 20 -8.213 17.075 2.734 122 HG23 THR 20 2HG2 THR 20 -6.938 18.331 2.771 123 H ASP 21 H ASP 21 -7.174 21.111 -1.445 124 HA ASP 21 HA ASP 21 -9.184 20.028 -3.348 125 HB3 ASP 21 2HB ASP 21 -9.786 22.429 -3.604 126 H SER 22 H SER 22 -6.026 21.382 -3.018 127 HA SER 22 HA SER 22 -5.649 21.534 -5.987 128 HB3 SER 22 2HB SER 22 -3.855 23.174 -5.356 129 HG SER 22 HG SER 22 -6.161 24.221 -4.214 130 H PHE 23 H PHE 23 -5.500 19.024 -4.595 131 HA PHE 23 HA PHE 23 -2.927 18.284 -5.705 132 HB3 PHE 23 2HB PHE 23 -3.448 18.177 -2.797 133 HD1 PHE 23 2HD PHE 23 -1.758 15.858 -5.315 134 HD2 PHE 23 1HD PHE 23 -2.971 16.655 -1.279 135 HE1 PHE 23 2HE PHE 23 -0.928 13.679 -4.584 136 HE2 PHE 23 1HE PHE 23 -1.823 14.584 -0.543 137 HZ PHE 23 HZ PHE 23 -0.763 13.103 -2.169 138 H GLU 24 H GLU 24 -3.162 16.669 -6.871 139 HA GLU 24 HA GLU 24 -5.644 14.991 -6.810 140 HB3 GLU 24 2HB GLU 24 -4.585 14.308 -9.110 141 HG3 GLU 24 2HG GLU 24 -6.779 15.420 -8.910 142 H VAL 25 H VAL 25 -5.006 13.798 -5.133 143 HA VAL 25 HA VAL 25 -2.525 12.312 -4.944 144 HB VAL 25 HB VAL 25 -5.049 11.719 -3.411 145 HG11 VAL 25 1HG1 VAL 25 -3.263 10.180 -3.044 146 HG12 VAL 25 2HG1 VAL 25 -2.116 11.487 -2.791 147 HG13 VAL 25 3HG1 VAL 25 -3.395 11.201 -1.589 148 HG21 VAL 25 3HG2 VAL 25 -3.859 13.499 -1.655 149 HG22 VAL 25 1HG2 VAL 25 -3.839 14.301 -3.240 150 HG23 VAL 25 2HG2 VAL 25 -5.350 13.709 -2.590 151 H SER 26 H SER 26 -2.188 10.475 -6.291 152 HA SER 26 HA SER 26 -4.592 8.776 -6.759 153 HB3 SER 26 2HB SER 26 -2.162 8.983 -8.535 154 HG SER 26 HG SER 26 -3.623 8.213 -10.059 155 H VAL 27 H VAL 27 -4.389 6.754 -6.423 156 HA VAL 27 HA VAL 27 -1.794 5.509 -5.696 157 HB VAL 27 HB VAL 27 -2.841 4.188 -3.831 158 HG11 VAL 27 1HG1 VAL 27 -1.231 6.002 -3.482 159 HG12 VAL 27 2HG1 VAL 27 -2.563 7.177 -3.371 160 HG13 VAL 27 3HG1 VAL 27 -2.394 5.902 -2.157 161 HG21 VAL 27 3HG2 VAL 27 -4.903 6.426 -3.734 162 HG22 VAL 27 1HG2 VAL 27 -5.258 4.760 -4.224 163 HG23 VAL 27 2HG2 VAL 27 -4.715 5.081 -2.594 164 H SER 28 H SER 28 -1.452 3.757 -6.898 165 HA SER 28 HA SER 28 -3.612 2.187 -8.072 166 HB3 SER 28 2HB SER 28 -0.699 1.445 -7.657 167 HG SER 28 HG SER 28 -2.623 0.769 -9.660 168 H ILE 29 H ILE 29 -4.403 0.290 -7.152 169 HA ILE 29 HA ILE 29 -3.523 -0.446 -4.414 170 HB ILE 29 HB ILE 29 -6.351 -0.012 -5.429 171 HG13 ILE 29 2HG1 ILE 29 -5.133 2.095 -4.779 172 HG21 ILE 29 1HG2 ILE 29 -5.463 -0.948 -2.670 173 HG22 ILE 29 2HG2 ILE 29 -7.144 -0.776 -3.251 174 HG23 ILE 29 3HG2 ILE 29 -6.091 -2.013 -3.923 175 HD11 ILE 29 3HD1 ILE 29 -7.541 2.062 -4.405 176 HD12 ILE 29 1HD1 ILE 29 -7.321 1.368 -2.777 177 HD13 ILE 29 2HD1 ILE 29 -6.708 2.990 -3.161 178 H GLY 30 H GLY 30 -2.609 -2.378 -4.803 179 HA2 GLY 30 1HA GLY 30 -4.100 -4.451 -6.226 180 HA3 GLY 30 2HA GLY 30 -2.569 -3.982 -6.973 181 H GLY 31 H GLY 31 -2.709 -6.536 -6.270 182 HA2 GLY 31 1HA GLY 31 -0.479 -6.937 -4.589 183 HA3 GLY 31 2HA GLY 31 -1.967 -7.372 -3.712 184 H ALA 32 H ALA 32 -0.297 -9.472 -4.198 185 HA ALA 32 HA ALA 32 -1.614 -10.898 -6.461 186 HB1 ALA 32 1HB ALA 32 1.166 -11.419 -5.359 187 HB2 ALA 32 2HB ALA 32 0.371 -12.267 -6.694 188 HB3 ALA 32 3HB ALA 32 0.793 -10.556 -6.890 189 H ASP 33 H ASP 33 -1.750 -13.194 -6.138 190 HA ASP 33 HA ASP 33 -1.890 -14.214 -3.403 191 HB3 ASP 33 2HB ASP 33 -4.153 -13.257 -3.948 192 H LYS 34 H LYS 34 -2.911 -16.714 -3.941 193 HA LYS 34 HA LYS 34 -0.552 -17.877 -5.142 194 HB3 LYS 34 2HB LYS 34 -3.077 -19.419 -4.458 195 HG3 LYS 34 2HG LYS 34 -0.125 -19.963 -4.617 196 HD3 LYS 34 2HD LYS 34 -0.835 -20.517 -2.283 197 HE3 LYS 34 2HE LYS 34 -3.216 -21.322 -3.205 198 HZ1 LYS 34 3HZ LYS 34 -2.100 -23.264 -4.356 199 HZ2 LYS 34 1HZ LYS 34 -3.325 -23.664 -3.322 200 HZ3 LYS 34 2HZ LYS 34 -1.773 -23.873 -2.870 201 H GLY 35 H GLY 35 -3.521 -16.857 -6.523 202 HA2 GLY 35 1HA GLY 35 -3.430 -18.798 -8.758 203 HA3 GLY 35 2HA GLY 35 -4.696 -17.620 -8.409 204 H GLY 36 H GLY 36 -2.895 -15.402 -7.894 205 HA2 GLY 36 1HA GLY 36 -0.905 -14.601 -9.475 206 HA3 GLY 36 2HA GLY 36 -2.242 -14.552 -10.636 207 HA PRO 37 HA PRO 37 -3.042 -10.611 -8.651 208 HB3 PRO 37 2HB PRO 37 -3.827 -10.096 -10.759 209 HG3 PRO 37 2HG PRO 37 -5.380 -11.480 -11.898 210 HD3 PRO 37 2HD PRO 37 -3.544 -12.876 -11.532 211 H ALA 38 H ALA 38 -3.877 -9.905 -6.820 212 HA ALA 38 HA ALA 38 -5.779 -11.592 -5.299 213 HB1 ALA 38 1HB ALA 38 -4.293 -9.031 -4.530 214 HB2 ALA 38 2HB ALA 38 -5.272 -10.020 -3.441 215 HB3 ALA 38 3HB ALA 38 -3.790 -10.690 -4.133 216 H LYS 39 H LYS 39 -7.947 -11.196 -5.469 217 HA LYS 39 HA LYS 39 -9.135 -8.822 -6.588 218 HB3 LYS 39 2HB LYS 39 -11.197 -9.728 -5.332 219 HG3 LYS 39 2HG LYS 39 -9.943 -11.936 -6.939 220 HD3 LYS 39 2HD LYS 39 -12.588 -10.527 -6.894 221 HE3 LYS 39 2HE LYS 39 -11.556 -10.074 -9.192 222 HZ1 LYS 39 3HZ LYS 39 -11.587 -11.794 -10.749 223 HZ2 LYS 39 1HZ LYS 39 -12.375 -12.844 -9.780 224 HZ3 LYS 39 2HZ LYS 39 -10.801 -12.495 -9.506 225 H LEU 40 H LEU 40 -9.254 -6.779 -5.758 226 HA LEU 40 HA LEU 40 -8.729 -6.331 -2.888 227 HB3 LEU 40 2HB LEU 40 -8.761 -3.995 -3.472 228 HG LEU 40 HG LEU 40 -7.089 -3.541 -4.959 229 HD11 LEU 40 1HD1 LEU 40 -6.346 -4.836 -3.010 230 HD12 LEU 40 2HD1 LEU 40 -5.301 -5.141 -4.417 231 HD13 LEU 40 3HD1 LEU 40 -6.491 -6.348 -3.950 232 HD21 LEU 40 3HD2 LEU 40 -8.014 -4.593 -6.959 233 HD22 LEU 40 1HD2 LEU 40 -7.337 -6.150 -6.419 234 HD23 LEU 40 2HD2 LEU 40 -6.275 -4.782 -6.778 235 H TYR 41 H TYR 41 -10.245 -4.739 -1.771 236 HA TYR 41 HA TYR 41 -13.063 -5.059 -2.605 237 HB3 TYR 41 2HB TYR 41 -13.531 -5.307 -0.146 238 HD1 TYR 41 2HD TYR 41 -10.611 -7.467 -1.318 239 HD2 TYR 41 1HD TYR 41 -14.814 -7.233 -0.406 240 HE1 TYR 41 2HE TYR 41 -10.877 -9.847 -1.910 241 HE2 TYR 41 1HE TYR 41 -15.049 -9.649 -0.823 242 HH TYR 41 HH TYR 41 -13.822 -11.633 -1.083 243 H ASN 42 H ASN 42 -14.429 -3.437 -1.683 244 HA ASN 42 HA ASN 42 -13.082 -0.826 -1.201 245 HB3 ASN 42 2HB ASN 42 -15.099 -0.973 -2.869 246 HD21 ASN 42 1HD2 ASN 42 -16.504 -3.046 -2.213 247 HD22 ASN 42 2HD2 ASN 42 -17.995 -2.615 -1.384 248 H ASP 43 H ASP 43 -14.420 0.498 0.437 249 HA ASP 43 HA ASP 43 -13.531 -0.685 2.869 250 HB3 ASP 43 2HB ASP 43 -15.139 1.797 2.636 251 H LYS 44 H LYS 44 -16.687 -0.679 1.414 252 HA LYS 44 HA LYS 44 -18.308 -1.187 3.788 253 HB3 LYS 44 2HB LYS 44 -19.988 -1.844 2.065 254 HG3 LYS 44 2HG LYS 44 -19.807 0.439 0.746 255 HD3 LYS 44 2HD LYS 44 -20.041 0.547 3.793 256 HE3 LYS 44 2HE LYS 44 -21.918 1.800 1.752 257 HZ1 LYS 44 3HZ LYS 44 -22.585 3.115 3.587 258 HZ2 LYS 44 1HZ LYS 44 -21.307 2.670 4.506 259 HZ3 LYS 44 2HZ LYS 44 -22.527 1.607 4.190 260 H GLY 45 H GLY 45 -16.319 -2.949 1.547 261 HA2 GLY 45 1HA GLY 45 -15.331 -4.878 2.155 262 HA3 GLY 45 2HA GLY 45 -16.754 -5.455 3.043 263 H GLU 46 H GLU 46 -17.200 -4.139 -0.225 264 HA GLU 46 HA GLU 46 -17.738 -6.900 -1.227 265 HB3 GLU 46 2HB GLU 46 -18.788 -5.843 -3.131 266 HG3 GLU 46 2HG GLU 46 -19.896 -6.063 -0.711 267 H TYR 47 H TYR 47 -16.706 -7.662 -3.060 268 HA TYR 47 HA TYR 47 -14.044 -6.737 -3.601 269 HB3 TYR 47 2HB TYR 47 -15.097 -9.129 -3.780 270 HD1 TYR 47 1HD TYR 47 -14.388 -8.093 -7.247 271 HD2 TYR 47 2HD TYR 47 -17.418 -9.579 -4.581 272 HE1 TYR 47 1HE TYR 47 -15.807 -8.589 -9.184 273 HE2 TYR 47 2HE TYR 47 -18.869 -10.094 -6.503 274 HH TYR 47 HH TYR 47 -19.086 -10.042 -8.848 275 H ILE 48 H ILE 48 -13.326 -5.628 -5.531 276 HA ILE 48 HA ILE 48 -15.436 -4.499 -7.301 277 HB ILE 48 HB ILE 48 -14.279 -2.233 -7.135 278 HG13 ILE 48 2HG1 ILE 48 -12.390 -3.162 -5.611 279 HG21 ILE 48 1HG2 ILE 48 -15.933 -3.171 -4.731 280 HG22 ILE 48 2HG2 ILE 48 -15.840 -1.520 -5.362 281 HG23 ILE 48 3HG2 ILE 48 -16.597 -2.778 -6.325 282 HD11 ILE 48 3HD1 ILE 48 -13.878 -0.545 -5.079 283 HD12 ILE 48 1HD1 ILE 48 -12.334 -0.952 -4.349 284 HD13 ILE 48 2HD1 ILE 48 -12.467 -0.814 -6.124 285 H GLY 49 H GLY 49 -12.192 -5.699 -7.115 286 HA2 GLY 49 1HA GLY 49 -11.870 -5.842 -9.904 287 HA3 GLY 49 2HA GLY 49 -11.081 -4.360 -9.350 288 H ASP 50 H ASP 50 -9.659 -6.598 -10.466 289 HA ASP 50 HA ASP 50 -8.058 -7.412 -8.079 290 HB3 ASP 50 2HB ASP 50 -9.001 -9.280 -9.311 291 H SER 51 H SER 51 -8.060 -4.990 -10.217 292 HA SER 51 HA SER 51 -5.687 -4.053 -9.048 293 HB3 SER 51 2HB SER 51 -4.625 -3.385 -11.301 294 HG SER 51 HG SER 51 -4.697 -6.073 -10.406 295 H TYR 52 H TYR 52 -5.915 -1.696 -9.053 296 HA TYR 52 HA TYR 52 -7.067 -0.306 -11.218 297 HB3 TYR 52 2HB TYR 52 -9.266 -0.848 -10.426 298 HD1 TYR 52 1HD TYR 52 -8.276 1.147 -7.443 299 HD2 TYR 52 2HD TYR 52 -9.740 -2.624 -8.932 300 HE1 TYR 52 1HE TYR 52 -8.866 0.530 -5.176 301 HE2 TYR 52 2HE TYR 52 -10.372 -3.281 -6.630 302 HH TYR 52 HH TYR 52 -9.833 -1.077 -3.814 303 H SER 53 H SER 53 -7.396 2.151 -10.298 304 HA SER 53 HA SER 53 -5.723 2.605 -7.939 305 HB3 SER 53 2HB SER 53 -4.436 3.409 -9.920 306 HG SER 53 HG SER 53 -5.247 4.868 -11.266 307 H ALA 54 H ALA 54 -6.416 4.572 -6.768 308 HA ALA 54 HA ALA 54 -9.139 5.501 -7.378 309 HB1 ALA 54 1HB ALA 54 -8.345 4.384 -4.639 310 HB2 ALA 54 2HB ALA 54 -9.900 5.120 -5.065 311 HB3 ALA 54 3HB ALA 54 -9.435 3.555 -5.775 312 H GLN 55 H GLN 55 -9.040 7.626 -7.389 313 HA GLN 55 HA GLN 55 -6.751 9.000 -6.253 314 HB3 GLN 55 2HB GLN 55 -9.395 10.162 -7.227 315 HG3 GLN 55 2HG GLN 55 -6.524 11.150 -7.597 316 HE21 GLN 55 1HE2 GLN 55 -8.245 13.745 -6.919 317 HE22 GLN 55 2HE2 GLN 55 -8.817 14.207 -8.537 318 H ILE 56 H ILE 56 -6.616 9.994 -4.358 319 HA ILE 56 HA ILE 56 -8.738 9.512 -2.355 320 HB ILE 56 HB ILE 56 -6.261 11.164 -1.870 321 HG13 ILE 56 2HG1 ILE 56 -4.950 9.324 -1.318 322 HG21 ILE 56 1HG2 ILE 56 -8.077 9.615 -0.032 323 HG22 ILE 56 2HG2 ILE 56 -6.528 10.358 0.443 324 HG23 ILE 56 3HG2 ILE 56 -7.853 11.359 -0.155 325 HD11 ILE 56 3HD1 ILE 56 -5.668 6.971 -1.521 326 HD12 ILE 56 1HD1 ILE 56 -6.605 7.791 -0.278 327 HD13 ILE 56 2HD1 ILE 56 -7.323 7.487 -1.885 328 H ARG 57 H ARG 57 -10.453 10.666 -3.157 329 HA ARG 57 HA ARG 57 -10.234 13.643 -3.098 330 HB3 ARG 57 2HB ARG 57 -12.670 13.416 -3.999 331 HG3 ARG 57 2HG ARG 57 -11.957 13.306 -6.344 332 HD3 ARG 57 2HD ARG 57 -9.823 14.815 -4.824 333 HE ARG 57 HE ARG 57 -11.638 15.625 -7.077 334 HH11 ARG 57 1HH1 ARG 57 -8.347 15.740 -5.687 335 HH12 ARG 57 2HH1 ARG 57 -7.836 17.015 -6.735 336 HH21 ARG 57 1HH2 ARG 57 -11.043 17.342 -8.281 337 HH22 ARG 57 2HH2 ARG 57 -9.504 18.128 -8.059 338 H THR 58 H THR 58 -9.851 12.414 -0.754 339 HA THR 58 HA THR 58 -12.145 13.320 0.727 340 HB THR 58 HB THR 58 -11.782 11.073 2.135 341 HG1 THR 58 1HG THR 58 -11.559 9.452 0.176 342 HG21 THR 58 3HG2 THR 58 -13.645 10.067 1.081 343 HG22 THR 58 1HG2 THR 58 -13.282 10.829 -0.479 344 HG23 THR 58 2HG2 THR 58 -13.855 11.817 0.884 345 H ALA 59 H ALA 59 -11.468 13.500 3.121 346 HA ALA 59 HA ALA 59 -8.677 14.291 3.438 347 HB1 ALA 59 1HB ALA 59 -10.501 15.385 4.692 348 HB2 ALA 59 2HB ALA 59 -10.873 13.850 5.513 349 HB3 ALA 59 3HB ALA 59 -9.307 14.656 5.776 350 H THR 60 H THR 60 -10.631 11.324 4.153 351 HA THR 60 HA THR 60 -8.137 9.904 4.788 352 HB THR 60 HB THR 60 -9.299 8.829 6.691 353 HG1 THR 60 1HG THR 60 -11.061 10.601 7.419 354 HG21 THR 60 3HG2 THR 60 -7.756 10.876 6.937 355 HG22 THR 60 1HG2 THR 60 -8.807 10.463 8.293 356 HG23 THR 60 2HG2 THR 60 -9.228 11.813 7.204 357 H MET 61 H MET 61 -8.238 7.653 4.440 358 HA MET 61 HA MET 61 -10.462 6.521 2.889 359 HB3 MET 61 2HB MET 61 -7.974 6.020 1.502 360 HG3 MET 61 2HG MET 61 -9.114 7.553 -0.199 361 HE1 MET 61 3HE MET 61 -8.648 5.449 -1.574 362 HE2 MET 61 1HE MET 61 -8.265 4.569 -0.074 363 HE3 MET 61 2HE MET 61 -9.365 3.851 -1.263 364 H SER 62 H SER 62 -9.745 4.323 2.115 365 HA SER 62 HA SER 62 -7.749 2.823 3.426 366 HB3 SER 62 2HB SER 62 -8.984 2.881 5.394 367 HG SER 62 HG SER 62 -11.477 2.045 4.770 368 H CYS 63 H CYS 63 -7.912 0.464 2.836 369 HA CYS 63 HA CYS 63 -10.062 -0.615 1.302 370 HB3 CYS 63 2HB CYS 63 -8.121 -1.622 -0.360 371 HG CYS 63 HG CYS 63 -10.353 -1.078 -1.265 372 H CYS 64 H CYS 64 -9.816 -3.003 1.292 373 HA CYS 64 HA CYS 64 -7.272 -4.058 2.313 374 HB3 CYS 64 2HB CYS 64 -8.145 -4.008 4.396 375 HG CYS 64 HG CYS 64 -10.425 -2.926 3.960 376 H THR 65 H THR 65 -7.522 -6.590 2.427 377 HA THR 65 HA THR 65 -8.597 -7.463 -0.198 378 HB THR 65 HB THR 65 -6.490 -8.851 -0.266 379 HG1 THR 65 1HG THR 65 -4.818 -8.272 1.045 380 HG21 THR 65 3HG2 THR 65 -5.142 -7.060 -1.122 381 HG22 THR 65 1HG2 THR 65 -5.918 -5.878 -0.053 382 HG23 THR 65 2HG2 THR 65 -6.819 -6.595 -1.400 383 H ASN 66 H ASN 66 -8.124 -10.114 -0.103 384 HA ASN 66 HA ASN 66 -9.457 -11.060 2.360 385 HB3 ASN 66 2HB ASN 66 -11.059 -11.076 0.375 386 HD21 ASN 66 1HD2 ASN 66 -9.200 -11.264 -1.748 387 HD22 ASN 66 2HD2 ASN 66 -9.363 -12.834 -2.487 388 H GLY 67 H GLY 67 -9.151 -13.139 2.872 389 HA2 GLY 67 1HA GLY 67 -6.467 -14.033 2.996 390 HA3 GLY 67 2HA GLY 67 -7.914 -14.938 3.488 391 H ASN 68 H ASN 68 -5.532 -14.499 1.180 392 HA ASN 68 HA ASN 68 -5.792 -16.639 -0.561 393 HB3 ASN 68 2HB ASN 68 -6.367 -14.876 -2.590 394 HD21 ASN 68 1HD2 ASN 68 -9.450 -15.501 -1.113 395 HD22 ASN 68 2HD2 ASN 68 -9.687 -17.086 -1.819 396 H ALA 69 H ALA 69 -5.162 -13.154 -0.250 397 HA ALA 69 HA ALA 69 -3.108 -12.861 -2.114 398 HB1 ALA 69 1HB ALA 69 -3.623 -11.229 0.395 399 HB2 ALA 69 2HB ALA 69 -2.783 -10.685 -1.077 400 HB3 ALA 69 3HB ALA 69 -4.514 -11.059 -1.134 401 H PHE 70 H PHE 70 -0.933 -11.968 -1.629 402 HA PHE 70 HA PHE 70 0.498 -13.119 0.716 403 HB3 PHE 70 2HB PHE 70 2.452 -13.468 -0.854 404 HD1 PHE 70 2HD PHE 70 1.839 -15.177 1.027 405 HD2 PHE 70 1HD PHE 70 0.263 -15.252 -2.984 406 HE1 PHE 70 2HE PHE 70 1.268 -17.576 1.302 407 HE2 PHE 70 1HE PHE 70 -0.238 -17.666 -2.725 408 HZ PHE 70 HZ PHE 70 0.195 -18.818 -0.571 409 H PHE 71 H PHE 71 -0.152 -10.289 -1.173 410 HA PHE 71 HA PHE 71 1.243 -8.811 0.768 411 HB3 PHE 71 2HB PHE 71 3.193 -9.221 -0.764 412 HD1 PHE 71 1HD PHE 71 1.935 -6.158 -2.412 413 HD2 PHE 71 2HD PHE 71 2.964 -10.315 -2.946 414 HE1 PHE 71 1HE PHE 71 1.874 -5.855 -4.864 415 HE2 PHE 71 2HE PHE 71 2.982 -9.969 -5.407 416 HZ PHE 71 HZ PHE 71 2.406 -7.762 -6.371 417 H MET 72 H MET 72 0.959 -6.342 0.159 418 HA MET 72 HA MET 72 -1.247 -5.784 -1.682 419 HB3 MET 72 2HB MET 72 -1.126 -4.547 1.106 420 HG3 MET 72 2HG MET 72 -3.364 -4.975 -0.883 421 HE1 MET 72 3HE MET 72 -5.672 -3.552 -0.590 422 HE2 MET 72 1HE MET 72 -5.999 -2.577 0.865 423 HE3 MET 72 2HE MET 72 -4.667 -2.144 -0.222 424 H THR 73 H THR 73 -1.002 -3.473 -2.454 425 HA THR 73 HA THR 73 1.198 -1.974 -1.290 426 HB THR 73 HB THR 73 2.278 -3.297 -3.091 427 HG1 THR 73 1HG THR 73 3.430 -1.581 -3.742 428 HG21 THR 73 3HG2 THR 73 0.458 -1.733 -4.988 429 HG22 THR 73 1HG2 THR 73 0.404 -3.487 -4.694 430 HG23 THR 73 2HG2 THR 73 1.818 -2.761 -5.455 431 H CYS 74 H CYS 74 1.320 0.153 -2.277 432 HA CYS 74 HA CYS 74 -1.247 1.445 -2.976 433 HB3 CYS 74 2HB CYS 74 0.446 2.162 -0.537 434 HG CYS 74 HG CYS 74 -0.836 4.122 -1.836 435 H ALA 75 H ALA 75 1.244 0.959 -4.435 436 HA ALA 75 HA ALA 75 3.006 3.261 -4.410 437 HB1 ALA 75 1HB ALA 75 3.893 2.246 -6.471 438 HB2 ALA 75 2HB ALA 75 3.678 0.993 -5.222 439 HB3 ALA 75 3HB ALA 75 2.515 1.136 -6.553 440 H GLY 76 H GLY 76 2.422 5.339 -5.154 441 HA2 GLY 76 1HA GLY 76 0.075 5.484 -7.013 442 HA3 GLY 76 2HA GLY 76 0.196 6.375 -5.484 443 H SER 77 H SER 77 0.027 8.356 -6.712 444 HA SER 77 HA SER 77 2.627 9.306 -6.611 445 HB3 SER 77 2HB SER 77 2.641 8.627 -9.032 446 HG SER 77 HG SER 77 1.587 10.013 -10.467 447 H VAL 78 H VAL 78 2.674 11.758 -6.902 448 HA VAL 78 HA VAL 78 0.141 12.954 -5.990 449 HB VAL 78 HB VAL 78 3.047 13.425 -5.142 450 HG11 VAL 78 1HG1 VAL 78 2.640 15.303 -3.979 451 HG12 VAL 78 2HG1 VAL 78 1.187 15.481 -4.987 452 HG13 VAL 78 3HG1 VAL 78 1.114 14.757 -3.384 453 HG21 VAL 78 3HG2 VAL 78 2.198 12.830 -2.849 454 HG22 VAL 78 1HG2 VAL 78 0.684 12.359 -3.626 455 HG23 VAL 78 2HG2 VAL 78 2.215 11.510 -4.038 456 H SER 79 H SER 79 -0.411 15.021 -6.909 457 HA SER 79 HA SER 79 1.801 16.458 -8.158 458 HB3 SER 79 2HB SER 79 -0.583 15.565 -9.805 459 HG SER 79 HG SER 79 -0.263 17.392 -10.680 460 H SER 80 H SER 80 1.207 18.633 -8.763 461 HA SER 80 HA SER 80 -1.405 19.668 -7.981 462 HB3 SER 80 2HB SER 80 1.076 21.047 -6.887 463 HG SER 80 HG SER 80 -1.681 21.432 -6.271 464 H ILE 81 H ILE 81 -1.832 21.749 -8.975 465 HA ILE 81 HA ILE 81 0.116 22.786 -10.916 466 HB ILE 81 HB ILE 81 -1.712 23.045 -12.511 467 HG13 ILE 81 2HG1 ILE 81 -3.855 22.535 -12.227 468 HG21 ILE 81 1HG2 ILE 81 -0.218 21.164 -12.784 469 HG22 ILE 81 2HG2 ILE 81 -1.246 20.130 -11.799 470 HG23 ILE 81 3HG2 ILE 81 -1.833 20.765 -13.353 471 HD11 ILE 81 3HD1 ILE 81 -3.292 20.243 -10.343 472 HD12 ILE 81 1HD1 ILE 81 -4.888 20.754 -10.942 473 HD13 ILE 81 2HD1 ILE 81 -3.709 20.080 -12.056 474 H SER 82 H SER 82 -0.749 23.633 -8.112 475 HA SER 82 HA SER 82 -2.336 26.045 -8.748 476 HB3 SER 82 2HB SER 82 -1.674 24.926 -6.006 477 HG SER 82 HG SER 82 -3.553 26.832 -6.988 478 H GLU 83 H GLU 83 -1.641 27.700 -6.871 479 HA GLU 83 HA GLU 83 0.865 28.947 -7.628 480 HB3 GLU 83 2HB GLU 83 0.388 30.532 -5.892 481 HG3 GLU 83 2HG GLU 83 -2.408 29.726 -6.767 482 H ALA 84 H ALA 84 2.505 29.423 -6.007 483 HA ALA 84 HA ALA 84 3.412 27.444 -4.200 484 HB1 ALA 84 1HB ALA 84 4.935 29.187 -3.451 485 HB2 ALA 84 2HB ALA 84 4.703 29.476 -5.190 486 HB3 ALA 84 3HB ALA 84 3.836 30.468 -4.007 487 H GLY 85 H GLY 85 3.675 27.814 -1.878 488 HA2 GLY 85 1HA GLY 85 3.147 28.546 0.218 489 HA3 GLY 85 2HA GLY 85 1.912 29.620 -0.458 490 H LYS 86 H LYS 86 0.888 26.837 -1.765 491 HA LYS 86 HA LYS 86 -0.938 25.938 0.325 492 HB3 LYS 86 2HB LYS 86 -1.319 24.040 -1.133 493 HG3 LYS 86 2HG LYS 86 -2.039 24.998 -3.214 494 HD3 LYS 86 2HD LYS 86 -2.298 27.262 -1.194 495 HE3 LYS 86 2HE LYS 86 -4.570 27.431 -2.028 496 HZ1 LYS 86 3HZ LYS 86 -3.076 27.342 -4.520 497 HZ2 LYS 86 1HZ LYS 86 -2.597 28.400 -3.317 498 HZ3 LYS 86 2HZ LYS 86 -4.102 28.507 -3.906 499 H ARG 87 H ARG 87 -0.693 23.761 1.291 500 HA ARG 87 HA ARG 87 2.016 22.676 1.476 501 HB3 ARG 87 2HB ARG 87 1.851 22.483 3.945 502 HG3 ARG 87 2HG ARG 87 1.590 25.395 3.148 503 HD3 ARG 87 2HD ARG 87 3.512 25.524 4.861 504 HE ARG 87 HE ARG 87 1.064 24.843 6.342 505 HH11 ARG 87 1HH1 ARG 87 2.467 27.293 4.187 506 HH12 ARG 87 2HH1 ARG 87 1.728 28.630 4.968 507 HH21 ARG 87 1HH2 ARG 87 0.308 26.638 7.588 508 HH22 ARG 87 2HH2 ARG 87 0.546 28.256 6.959 509 H LEU 88 H LEU 88 1.913 20.415 2.419 510 HA LEU 88 HA LEU 88 -0.694 19.220 2.581 511 HB3 LEU 88 2HB LEU 88 1.093 18.010 0.485 512 HG LEU 88 HG LEU 88 -1.022 17.698 -0.680 513 HD11 LEU 88 1HD1 LEU 88 -0.554 15.898 0.905 514 HD12 LEU 88 2HD1 LEU 88 -2.302 16.132 0.705 515 HD13 LEU 88 3HD1 LEU 88 -1.512 16.730 2.153 516 HD21 LEU 88 3HD2 LEU 88 -2.176 19.705 -0.092 517 HD22 LEU 88 1HD2 LEU 88 -2.459 19.109 1.548 518 HD23 LEU 88 2HD2 LEU 88 -3.197 18.281 0.162 519 H HIS 89 H HIS 89 -0.611 17.317 3.679 520 HA HIS 89 HA HIS 89 1.994 16.206 4.473 521 HB3 HIS 89 2HB HIS 89 -0.284 16.849 6.372 522 HD1 HIS 89 1HD HIS 89 2.941 17.424 8.012 523 HD2 HIS 89 2HD HIS 89 0.519 14.052 7.087 524 HE1 HIS 89 1HE HIS 89 3.645 15.558 9.553 525 H ILE 90 H ILE 90 1.876 14.141 3.971 526 HA ILE 90 HA ILE 90 -0.734 12.777 3.562 527 HB ILE 90 HB ILE 90 2.068 12.461 2.450 528 HG13 ILE 90 2HG1 ILE 90 0.894 12.499 0.295 529 HG21 ILE 90 1HG2 ILE 90 1.388 10.373 1.276 530 HG22 ILE 90 2HG2 ILE 90 1.651 10.196 3.013 531 HG23 ILE 90 3HG2 ILE 90 -0.005 10.248 2.371 532 HD11 ILE 90 3HD1 ILE 90 -1.659 13.360 1.609 533 HD12 ILE 90 1HD1 ILE 90 -1.381 12.641 -0.003 534 HD13 ILE 90 2HD1 ILE 90 -1.385 11.614 1.391 535 H THR 91 H THR 91 -1.110 10.767 4.535 536 HA THR 91 HA THR 91 1.020 9.669 6.233 537 HB THR 91 HB THR 91 -1.807 10.196 7.221 538 HG1 THR 91 1HG THR 91 0.486 11.619 7.330 539 HG21 THR 91 3HG2 THR 91 -1.021 9.252 9.348 540 HG22 THR 91 1HG2 THR 91 0.572 8.915 8.637 541 HG23 THR 91 2HG2 THR 91 -0.878 8.049 8.073 542 H VAL 92 H VAL 92 1.195 7.600 5.853 543 HA VAL 92 HA VAL 92 -1.029 6.070 4.597 544 HB VAL 92 HB VAL 92 1.087 4.906 3.437 545 HG11 VAL 92 1HG1 VAL 92 0.505 6.158 1.379 546 HG12 VAL 92 2HG1 VAL 92 -0.917 5.625 2.289 547 HG13 VAL 92 3HG1 VAL 92 -0.404 7.333 2.385 548 HG21 VAL 92 3HG2 VAL 92 2.691 6.658 4.296 549 HG22 VAL 92 1HG2 VAL 92 2.728 6.426 2.540 550 HG23 VAL 92 2HG2 VAL 92 1.911 7.836 3.241 551 H ILE 93 H ILE 93 -1.466 4.216 5.614 552 HA ILE 93 HA ILE 93 0.560 3.063 7.462 553 HB ILE 93 HB ILE 93 -2.393 3.521 8.046 554 HG13 ILE 93 2HG1 ILE 93 -1.267 5.697 7.998 555 HG21 ILE 93 1HG2 ILE 93 -0.115 2.573 9.855 556 HG22 ILE 93 2HG2 ILE 93 -1.801 2.777 10.335 557 HG23 ILE 93 3HG2 ILE 93 -1.359 1.535 9.178 558 HD11 ILE 93 3HD1 ILE 93 -1.673 6.545 10.168 559 HD12 ILE 93 1HD1 ILE 93 -2.917 5.328 9.809 560 HD13 ILE 93 2HD1 ILE 93 -1.559 4.934 10.901 561 H GLY 94 H GLY 94 0.495 0.810 7.513 562 HA2 GLY 94 1HA GLY 94 -1.509 -0.574 5.806 563 HA3 GLY 94 2HA GLY 94 0.216 -0.869 5.595 564 H TYR 95 H TYR 95 -2.256 -2.403 6.653 565 HA TYR 95 HA TYR 95 -1.162 -3.396 9.217 566 HB3 TYR 95 2HB TYR 95 -3.585 -3.956 9.731 567 HD1 TYR 95 1HD TYR 95 -3.700 -0.526 8.226 568 HD2 TYR 95 2HD TYR 95 -3.248 -2.865 11.811 569 HE1 TYR 95 1HE TYR 95 -3.946 1.523 9.604 570 HE2 TYR 95 2HE TYR 95 -3.350 -0.827 13.185 571 HH TYR 95 HH TYR 95 -3.895 2.452 11.811 572 H ILE 96 H ILE 96 -1.527 -5.653 9.608 573 HA ILE 96 HA ILE 96 -2.492 -7.411 7.482 574 HB ILE 96 HB ILE 96 0.297 -7.820 8.657 575 HG13 ILE 96 2HG1 ILE 96 0.472 -5.872 7.239 576 HG21 ILE 96 1HG2 ILE 96 -1.168 -9.204 6.355 577 HG22 ILE 96 2HG2 ILE 96 0.454 -9.618 6.952 578 HG23 ILE 96 3HG2 ILE 96 -0.930 -9.876 7.986 579 HD11 ILE 96 3HD1 ILE 96 2.280 -6.519 5.944 580 HD12 ILE 96 1HD1 ILE 96 2.276 -7.679 7.278 581 HD13 ILE 96 2HD1 ILE 96 1.663 -8.162 5.681 582 H ASP 97 H ASP 97 -3.469 -9.170 8.511 583 HA ASP 97 HA ASP 97 -4.511 -10.263 10.156 584 HB3 ASP 97 2HB ASP 97 -1.821 -10.755 11.410 585 H ASP 98 H ASP 98 -5.101 -7.870 10.697 586 HA ASP 98 HA ASP 98 -5.866 -6.419 12.186 587 HB3 ASP 98 2HB ASP 98 -5.684 -8.242 14.534 588 H LYS 99 H LYS 99 -2.824 -6.531 11.906 589 HA LYS 99 HA LYS 99 -2.251 -4.815 14.277 590 HB3 LYS 99 2HB LYS 99 0.131 -5.502 13.860 591 HG3 LYS 99 2HG LYS 99 -1.779 -7.523 15.049 592 HD3 LYS 99 2HD LYS 99 0.406 -8.475 14.696 593 HE3 LYS 99 2HE LYS 99 1.540 -6.109 16.253 594 HZ1 LYS 99 3HZ LYS 99 2.916 -8.297 14.797 595 HZ2 LYS 99 1HZ LYS 99 2.723 -8.290 16.397 596 HZ3 LYS 99 2HZ LYS 99 3.654 -7.121 15.686 597 H GLU 100 H GLU 100 -0.737 -3.102 13.850 598 HA GLU 100 HA GLU 100 -0.490 -2.252 11.027 599 HB3 GLU 100 2HB GLU 100 0.915 -1.105 13.486 600 HG3 GLU 100 2HG GLU 100 0.234 0.145 10.773 601 H VAL 101 H VAL 101 1.472 -2.556 9.841 602 HA VAL 101 HA VAL 101 3.824 -3.424 11.423 603 HB VAL 101 HB VAL 101 4.654 -4.956 9.803 604 HG11 VAL 101 1HG1 VAL 101 3.154 -5.869 11.548 605 HG12 VAL 101 2HG1 VAL 101 1.774 -5.741 10.433 606 HG13 VAL 101 3HG1 VAL 101 3.131 -6.823 10.056 607 HG21 VAL 101 3HG2 VAL 101 2.094 -4.608 8.201 608 HG22 VAL 101 1HG2 VAL 101 3.692 -3.975 7.723 609 HG23 VAL 101 2HG2 VAL 101 3.446 -5.706 7.850 610 H ASN 102 H ASN 102 2.542 -1.020 9.344 611 HA ASN 102 HA ASN 102 5.232 0.052 8.940 612 HB3 ASN 102 2HB ASN 102 3.438 -0.433 6.561 613 HD21 ASN 102 1HD2 ASN 102 4.519 -0.508 4.625 614 HD22 ASN 102 2HD2 ASN 102 6.117 0.043 4.262 615 H ARG 103 H ARG 103 5.099 2.323 8.654 616 HA ARG 103 HA ARG 103 2.655 3.694 7.900 617 HB3 ARG 103 2HB ARG 103 3.552 3.352 10.793 618 HG3 ARG 103 2HG ARG 103 2.011 5.726 9.736 619 HD3 ARG 103 2HD ARG 103 0.748 4.512 11.560 620 HE ARG 103 HE ARG 103 3.283 4.650 12.970 621 HH11 ARG 103 1HH1 ARG 103 0.059 3.636 13.325 622 HH12 ARG 103 2HH1 ARG 103 -0.192 4.023 14.997 623 HH21 ARG 103 1HH2 ARG 103 3.361 4.271 15.285 624 HH22 ARG 103 2HH2 ARG 103 1.875 3.869 16.097 625 H LEU 104 H LEU 104 3.298 5.494 6.883 626 HA LEU 104 HA LEU 104 5.553 6.980 8.022 627 HB3 LEU 104 2HB LEU 104 6.520 5.495 6.326 628 HG LEU 104 HG LEU 104 4.560 5.746 4.607 629 HD11 LEU 104 1HD1 LEU 104 5.180 7.339 2.739 630 HD12 LEU 104 2HD1 LEU 104 6.311 8.122 3.857 631 HD13 LEU 104 3HD1 LEU 104 4.578 8.150 4.182 632 HD21 LEU 104 3HD2 LEU 104 6.133 5.180 2.777 633 HD22 LEU 104 1HD2 LEU 104 6.505 4.337 4.286 634 HD23 LEU 104 2HD2 LEU 104 7.486 5.730 3.790 635 H GLU 105 H GLU 105 5.762 9.140 6.932 636 HA GLU 105 HA GLU 105 3.186 10.196 5.929 637 HB3 GLU 105 2HB GLU 105 3.550 12.225 7.249 638 HG3 GLU 105 2HG GLU 105 2.647 9.909 8.429 639 H LYS 106 H LYS 106 3.620 12.436 5.000 640 HA LYS 106 HA LYS 106 6.335 12.889 4.217 641 HB3 LYS 106 2HB LYS 106 4.477 12.810 1.849 642 HG3 LYS 106 2HG LYS 106 7.238 13.347 2.211 643 HD3 LYS 106 2HD LYS 106 7.466 10.811 2.568 644 HE3 LYS 106 2HE LYS 106 5.774 10.710 0.443 645 HZ1 LYS 106 3HZ LYS 106 7.620 11.373 -1.124 646 HZ2 LYS 106 1HZ LYS 106 7.019 9.950 -1.492 647 HZ3 LYS 106 2HZ LYS 106 8.431 10.001 -0.696 648 H GLU 107 H GLU 107 6.477 14.997 3.003 649 HA GLU 107 HA GLU 107 4.225 16.816 3.690 650 HB3 GLU 107 2HB GLU 107 7.147 17.515 4.190 651 HG3 GLU 107 2HG GLU 107 4.739 18.872 5.423 652 H TYR 108 H TYR 108 3.821 18.251 2.051 653 HA TYR 108 HA TYR 108 5.884 18.715 -0.013 654 HB3 TYR 108 2HB TYR 108 4.177 18.683 -1.729 655 HD1 TYR 108 1HD TYR 108 6.042 16.902 -2.077 656 HD2 TYR 108 2HD TYR 108 2.375 16.113 0.073 657 HE1 TYR 108 1HE TYR 108 6.432 14.517 -2.234 658 HE2 TYR 108 2HE TYR 108 2.773 13.665 -0.175 659 HH TYR 108 HH TYR 108 5.751 12.486 -1.900 660 H ILE 109 H ILE 109 5.772 20.831 -0.906 661 HA ILE 109 HA ILE 109 3.802 22.724 0.110 662 HB ILE 109 HB ILE 109 6.807 23.165 0.481 663 HG13 ILE 109 2HG1 ILE 109 6.022 21.867 2.307 664 HG21 ILE 109 1HG2 ILE 109 4.530 25.121 0.939 665 HG22 ILE 109 2HG2 ILE 109 6.262 25.426 1.240 666 HG23 ILE 109 3HG2 ILE 109 5.704 25.198 -0.387 667 HD11 ILE 109 3HD1 ILE 109 7.294 23.940 3.007 668 HD12 ILE 109 1HD1 ILE 109 5.714 24.697 3.352 669 HD13 ILE 109 2HD1 ILE 109 6.223 23.245 4.240 670 H THR 110 H THR 110 3.107 23.714 -1.668 671 HA THR 110 HA THR 110 4.399 23.564 -4.236 672 HB THR 110 HB THR 110 2.797 25.518 -4.715 673 HG1 THR 110 1HG THR 110 2.879 25.725 -2.253 674 HG21 THR 110 3HG2 THR 110 0.761 24.112 -4.635 675 HG22 THR 110 1HG2 THR 110 1.623 22.924 -3.619 676 HG23 THR 110 2HG2 THR 110 2.152 23.223 -5.289 677 H ASP 111 H ASP 111 5.978 24.790 -5.060 678 HA ASP 111 HA ASP 111 6.831 27.279 -3.653 679 HB3 ASP 111 2HB ASP 111 8.575 25.574 -3.714 680 H GLY 112 H GLY 112 4.951 26.311 -6.259 681 HA2 GLY 112 1HA GLY 112 3.917 28.122 -7.505 682 HA3 GLY 112 2HA GLY 112 5.525 28.801 -7.803 683 H ASN 113 H ASN 113 6.575 25.916 -8.059 684 HA ASN 113 HA ASN 113 6.023 25.578 -10.930 685 HB3 ASN 113 2HB ASN 113 7.679 23.702 -10.637 686 HD21 ASN 113 1HD2 ASN 113 8.753 26.254 -8.432 687 HD22 ASN 113 2HD2 ASN 113 9.689 27.193 -9.575 688 H THR 114 H THR 114 5.458 23.327 -11.740 689 HA THR 114 HA THR 114 3.124 22.354 -10.489 690 HB THR 114 HB THR 114 4.006 20.489 -12.404 691 HG1 THR 114 1HG THR 114 4.800 21.619 -14.052 692 HG21 THR 114 3HG2 THR 114 2.445 23.100 -12.803 693 HG22 THR 114 1HG2 THR 114 1.782 21.596 -12.170 694 HG23 THR 114 2HG2 THR 114 2.359 21.654 -13.847 695 H LEU 115 H LEU 115 3.143 21.300 -8.634 696 HA LEU 115 HA LEU 115 5.427 19.895 -7.604 697 HB3 LEU 115 2HB LEU 115 2.603 19.453 -6.591 698 HG LEU 115 HG LEU 115 5.322 19.065 -5.533 699 HD11 LEU 115 1HD1 LEU 115 5.096 19.965 -3.342 700 HD12 LEU 115 2HD1 LEU 115 3.470 20.587 -3.642 701 HD13 LEU 115 3HD1 LEU 115 4.894 21.283 -4.497 702 HD21 LEU 115 3HD2 LEU 115 3.077 18.366 -3.722 703 HD22 LEU 115 1HD2 LEU 115 4.396 17.383 -4.368 704 HD23 LEU 115 2HD2 LEU 115 2.930 17.704 -5.327 705 H ILE 116 H ILE 116 5.949 17.800 -7.663 706 HA ILE 116 HA ILE 116 4.154 15.735 -8.642 707 HB ILE 116 HB ILE 116 6.484 16.512 -10.356 708 HG13 ILE 116 2HG1 ILE 116 4.569 17.662 -10.975 709 HG21 ILE 116 1HG2 ILE 116 4.871 13.934 -10.476 710 HG22 ILE 116 2HG2 ILE 116 6.143 14.446 -11.616 711 HG23 ILE 116 3HG2 ILE 116 6.591 14.042 -9.982 712 HD11 ILE 116 3HD1 ILE 116 4.315 15.246 -12.792 713 HD12 ILE 116 1HD1 ILE 116 3.893 16.924 -13.141 714 HD13 ILE 116 2HD1 ILE 116 5.598 16.465 -12.948 715 H GLU 117 H GLU 117 4.789 13.761 -7.848 716 HA GLU 117 HA GLU 117 7.285 13.079 -6.609 717 HB3 GLU 117 2HB GLU 117 5.513 13.418 -4.318 718 HG3 GLU 117 2HG GLU 117 7.675 14.885 -3.727 719 H THR 118 H THR 118 6.937 11.058 -5.101 720 HA THR 118 HA THR 118 4.458 9.461 -5.539 721 HB THR 118 HB THR 118 5.887 7.519 -6.112 722 HG1 THR 118 1HG THR 118 7.802 9.509 -6.775 723 HG21 THR 118 3HG2 THR 118 5.841 9.712 -8.218 724 HG22 THR 118 1HG2 THR 118 4.547 8.568 -7.830 725 HG23 THR 118 2HG2 THR 118 6.053 7.973 -8.515 726 H PHE 119 H PHE 119 4.624 7.582 -4.231 727 HA PHE 119 HA PHE 119 6.490 7.462 -1.970 728 HB3 PHE 119 2HB PHE 119 4.930 9.032 -0.990 729 HD1 PHE 119 1HD PHE 119 2.666 6.057 -0.897 730 HD2 PHE 119 2HD PHE 119 3.216 10.117 -2.273 731 HE1 PHE 119 1HE PHE 119 0.320 6.112 -1.666 732 HE2 PHE 119 2HE PHE 119 0.828 10.137 -3.053 733 HZ PHE 119 HZ PHE 119 -0.591 8.204 -2.736 734 H SER 120 H SER 120 6.033 5.380 -0.679 735 HA SER 120 HA SER 120 4.461 3.413 -2.259 736 HB3 SER 120 2HB SER 120 6.536 3.517 -3.474 737 HG SER 120 HG SER 120 7.728 3.264 -0.909 738 H VAL 121 H VAL 121 3.499 2.063 -0.954 739 HA VAL 121 HA VAL 121 4.762 1.171 1.545 740 HB VAL 121 HB VAL 121 2.000 2.441 1.311 741 HG11 VAL 121 1HG1 VAL 121 1.679 1.894 3.661 742 HG12 VAL 121 2HG1 VAL 121 1.872 0.405 2.716 743 HG13 VAL 121 3HG1 VAL 121 3.223 1.008 3.701 744 HG21 VAL 121 3HG2 VAL 121 3.715 4.122 1.682 745 HG22 VAL 121 1HG2 VAL 121 2.955 3.825 3.249 746 HG23 VAL 121 2HG2 VAL 121 4.518 3.106 2.899 747 H SER 122 H SER 122 5.227 -0.704 0.606 748 HA SER 122 HA SER 122 3.070 -2.463 -0.424 749 HB3 SER 122 2HB SER 122 4.673 -3.516 -1.597 750 HG SER 122 HG SER 122 6.997 -2.476 -0.721 751 H THR 123 H THR 123 2.508 -4.281 0.952 752 HA THR 123 HA THR 123 3.475 -4.038 3.765 753 HB THR 123 HB THR 123 1.301 -5.009 4.366 754 HG1 THR 123 1HG THR 123 1.310 -6.422 2.651 755 HG21 THR 123 3HG2 THR 123 0.679 -3.055 2.078 756 HG22 THR 123 1HG2 THR 123 1.067 -2.536 3.727 757 HG23 THR 123 2HG2 THR 123 -0.376 -3.487 3.445 758 H LYS 124 H LYS 124 5.015 -5.517 1.664 759 HA LYS 124 HA LYS 124 5.533 -7.648 3.413 760 HB3 LYS 124 2HB LYS 124 5.198 -8.864 0.695 761 HG3 LYS 124 2HG LYS 124 4.277 -10.727 2.189 762 HD3 LYS 124 2HD LYS 124 7.106 -9.790 2.821 763 HE3 LYS 124 2HE LYS 124 5.639 -12.411 3.292 764 HZ1 LYS 124 3HZ LYS 124 7.831 -13.093 4.196 765 HZ2 LYS 124 1HZ LYS 124 8.528 -11.796 3.500 766 HZ3 LYS 124 2HZ LYS 124 7.772 -12.991 2.596 767 H GLU 125 H GLU 125 7.665 -7.466 3.504 768 HA GLU 125 HA GLU 125 9.171 -6.120 1.360 769 HB3 GLU 125 2HB GLU 125 11.104 -6.535 2.953 770 HG3 GLU 125 2HG GLU 125 8.630 -5.000 3.863 771 H ILE 126 H ILE 126 8.944 -7.534 -0.366 772 HA ILE 126 HA ILE 126 10.241 -10.198 -0.187 773 HB ILE 126 HB ILE 126 9.628 -10.424 -2.547 774 HG13 ILE 126 2HG1 ILE 126 9.624 -7.935 -3.079 775 HG21 ILE 126 1HG2 ILE 126 7.224 -9.670 -0.809 776 HG22 ILE 126 2HG2 ILE 126 7.240 -10.790 -2.180 777 HG23 ILE 126 3HG2 ILE 126 8.120 -11.204 -0.715 778 HD11 ILE 126 3HD1 ILE 126 7.091 -9.362 -3.966 779 HD12 ILE 126 1HD1 ILE 126 7.908 -8.011 -4.765 780 HD13 ILE 126 2HD1 ILE 126 8.705 -9.594 -4.683 Start of MODEL 13 1 H1 GLY 1 H GLY 1 10.056 -28.230 -0.449 2 HA2 GLY 1 1HA GLY 1 10.254 -30.659 1.255 3 HA3 GLY 1 2HA GLY 1 11.109 -29.118 1.583 4 H ALA 2 H ALA 2 10.038 -28.697 3.558 5 HA ALA 2 HA ALA 2 7.233 -27.780 3.365 6 HB1 ALA 2 1HB ALA 2 7.706 -27.029 5.724 7 HB2 ALA 2 2HB ALA 2 7.846 -28.788 5.517 8 HB3 ALA 2 3HB ALA 2 9.303 -27.783 5.612 9 H SER 3 H SER 3 7.294 -25.325 4.258 10 HA SER 3 HA SER 3 9.630 -23.867 4.045 11 HB3 SER 3 2HB SER 3 7.742 -22.918 1.879 12 HG SER 3 HG SER 3 10.587 -22.739 2.161 13 H ASP 4 H ASP 4 8.935 -21.365 4.146 14 HA ASP 4 HA ASP 4 7.006 -21.372 6.400 15 HB3 ASP 4 2HB ASP 4 8.600 -19.366 7.021 16 H PHE 5 H PHE 5 5.098 -20.655 5.483 17 HA PHE 5 HA PHE 5 4.930 -17.929 4.696 18 HB3 PHE 5 2HB PHE 5 5.249 -18.845 2.636 19 HD1 PHE 5 1HD PHE 5 5.980 -21.064 2.725 20 HD2 PHE 5 2HD PHE 5 1.840 -20.139 2.796 21 HE1 PHE 5 1HE PHE 5 5.459 -23.472 2.051 22 HE2 PHE 5 2HE PHE 5 1.261 -22.512 2.154 23 HZ PHE 5 HZ PHE 5 3.091 -24.142 1.762 24 H GLN 6 H GLN 6 3.598 -17.073 6.091 25 HA GLN 6 HA GLN 6 0.960 -18.272 6.286 26 HB3 GLN 6 2HB GLN 6 0.873 -17.000 8.464 27 HG3 GLN 6 2HG GLN 6 2.868 -19.288 8.569 28 HE21 GLN 6 1HE2 GLN 6 -0.479 -18.589 9.796 29 HE22 GLN 6 2HE2 GLN 6 -0.009 -18.818 11.474 30 H THR 7 H THR 7 -0.463 -16.904 5.692 31 HA THR 7 HA THR 7 -0.187 -14.000 5.955 32 HB THR 7 HB THR 7 0.306 -14.206 3.683 33 HG1 THR 7 1HG THR 7 -1.432 -13.058 2.781 34 HG21 THR 7 3HG2 THR 7 -2.302 -15.676 3.277 35 HG22 THR 7 1HG2 THR 7 -0.701 -16.448 3.276 36 HG23 THR 7 2HG2 THR 7 -1.100 -15.254 2.036 37 H GLY 8 H GLY 8 -2.476 -13.086 5.703 38 HA2 GLY 8 1HA GLY 8 -4.625 -14.754 6.879 39 HA3 GLY 8 2HA GLY 8 -4.069 -13.337 7.793 40 H ILE 9 H ILE 9 -4.588 -11.271 7.017 41 HA ILE 9 HA ILE 9 -5.834 -10.915 4.366 42 HB ILE 9 HB ILE 9 -7.050 -10.042 7.000 43 HG13 ILE 9 2HG1 ILE 9 -7.578 -12.344 5.774 44 HG21 ILE 9 1HG2 ILE 9 -7.225 -8.045 5.583 45 HG22 ILE 9 2HG2 ILE 9 -7.782 -9.026 4.209 46 HG23 ILE 9 3HG2 ILE 9 -8.794 -8.821 5.628 47 HD11 ILE 9 3HD1 ILE 9 -9.906 -12.303 6.436 48 HD12 ILE 9 1HD1 ILE 9 -8.865 -11.601 7.685 49 HD13 ILE 9 2HD1 ILE 9 -9.842 -10.543 6.657 50 H HIS 10 H HIS 10 -5.629 -8.543 3.688 51 HA HIS 10 HA HIS 10 -3.375 -7.127 5.005 52 HB3 HIS 10 2HB HIS 10 -2.851 -6.441 2.588 53 HD1 HIS 10 1HD HIS 10 -0.346 -7.049 3.174 54 HD2 HIS 10 2HD HIS 10 -2.985 -10.325 2.853 55 HE1 HIS 10 1HE HIS 10 1.071 -9.147 3.385 56 H LYS 11 H LYS 11 -3.779 -4.918 5.228 57 HA LYS 11 HA LYS 11 -6.053 -3.718 3.773 58 HB3 LYS 11 2HB LYS 11 -7.151 -2.819 5.671 59 HG3 LYS 11 2HG LYS 11 -6.484 -5.668 6.562 60 HD3 LYS 11 2HD LYS 11 -8.899 -5.726 7.170 61 HE3 LYS 11 2HE LYS 11 -7.454 -3.606 8.788 62 HZ1 LYS 11 3HZ LYS 11 -8.529 -4.685 10.581 63 HZ2 LYS 11 1HZ LYS 11 -9.107 -5.895 9.676 64 HZ3 LYS 11 2HZ LYS 11 -9.716 -4.361 9.501 65 H ILE 12 H ILE 12 -5.882 -1.358 3.634 66 HA ILE 12 HA ILE 12 -3.437 -0.001 4.617 67 HB ILE 12 HB ILE 12 -4.304 -0.088 1.700 68 HG13 ILE 12 2HG1 ILE 12 -2.644 -1.288 0.936 69 HG21 ILE 12 1HG2 ILE 12 -2.050 1.474 3.007 70 HG22 ILE 12 2HG2 ILE 12 -2.214 1.251 1.261 71 HG23 ILE 12 3HG2 ILE 12 -3.466 2.104 2.136 72 HD11 ILE 12 3HD1 ILE 12 -0.562 -2.026 2.002 73 HD12 ILE 12 1HD1 ILE 12 -0.606 -0.276 1.773 74 HD13 ILE 12 2HD1 ILE 12 -0.919 -0.984 3.394 75 H VAL 13 H VAL 13 -3.634 1.948 4.824 76 HA VAL 13 HA VAL 13 -6.289 3.238 4.690 77 HB VAL 13 HB VAL 13 -5.390 3.780 7.059 78 HG11 VAL 13 1HG1 VAL 13 -7.364 2.422 6.817 79 HG12 VAL 13 2HG1 VAL 13 -6.395 0.990 6.436 80 HG13 VAL 13 3HG1 VAL 13 -6.334 1.704 8.057 81 HG21 VAL 13 3HG2 VAL 13 -3.806 1.296 6.956 82 HG22 VAL 13 1HG2 VAL 13 -3.148 2.928 6.672 83 HG23 VAL 13 2HG2 VAL 13 -3.920 2.609 8.186 84 H ILE 14 H ILE 14 -6.154 5.449 4.050 85 HA ILE 14 HA ILE 14 -3.413 6.642 3.977 86 HB ILE 14 HB ILE 14 -5.602 6.756 1.880 87 HG13 ILE 14 2HG1 ILE 14 -4.148 4.651 1.970 88 HG21 ILE 14 1HG2 ILE 14 -3.922 8.096 0.535 89 HG22 ILE 14 2HG2 ILE 14 -4.566 8.941 1.932 90 HG23 ILE 14 3HG2 ILE 14 -2.938 8.218 2.007 91 HD11 ILE 14 3HD1 ILE 14 -3.899 4.409 -0.338 92 HD12 ILE 14 1HD1 ILE 14 -5.303 5.464 -0.131 93 HD13 ILE 14 2HD1 ILE 14 -3.718 6.148 -0.610 94 H GLN 15 H GLN 15 -3.426 8.961 4.211 95 HA GLN 15 HA GLN 15 -5.949 10.258 4.915 96 HB3 GLN 15 2HB GLN 15 -5.019 11.273 6.998 97 HG3 GLN 15 2HG GLN 15 -4.977 8.228 7.067 98 HE21 GLN 15 1HE2 GLN 15 -5.886 7.542 9.318 99 HE22 GLN 15 2HE2 GLN 15 -5.146 8.291 10.716 100 H GLN 16 H GLN 16 -5.673 12.650 5.039 101 HA GLN 16 HA GLN 16 -3.205 13.772 3.980 102 HB3 GLN 16 2HB GLN 16 -4.341 13.041 1.940 103 HG3 GLN 16 2HG GLN 16 -6.710 14.504 3.085 104 HE21 GLN 16 1HE2 GLN 16 -8.304 14.100 0.783 105 HE22 GLN 16 2HE2 GLN 16 -7.884 15.362 -0.382 106 H SER 17 H SER 17 -3.265 16.207 4.303 107 HA SER 17 HA SER 17 -5.668 17.532 4.993 108 HB3 SER 17 2HB SER 17 -4.590 18.476 7.223 109 HG SER 17 HG SER 17 -5.722 15.871 7.132 110 H GLY 18 H GLY 18 -5.443 19.799 4.723 111 HA2 GLY 18 1HA GLY 18 -3.722 21.673 4.677 112 HA3 GLY 18 2HA GLY 18 -2.839 20.640 3.558 113 H ASP 19 H ASP 19 -3.078 21.443 1.575 114 HA ASP 19 HA ASP 19 -5.326 22.985 0.605 115 HB3 ASP 19 2HB ASP 19 -2.865 23.328 0.160 116 H THR 20 H THR 20 -6.557 20.799 1.319 117 HA THR 20 HA THR 20 -6.562 18.594 -0.379 118 HB THR 20 HB THR 20 -8.713 18.048 0.808 119 HG1 THR 20 1HG THR 20 -9.588 19.460 2.228 120 HG21 THR 20 3HG2 THR 20 -6.489 19.181 2.545 121 HG22 THR 20 1HG2 THR 20 -6.875 17.496 2.178 122 HG23 THR 20 2HG2 THR 20 -7.921 18.452 3.227 123 H ASP 21 H ASP 21 -7.350 21.489 -1.640 124 HA ASP 21 HA ASP 21 -9.711 20.595 -3.232 125 HB3 ASP 21 2HB ASP 21 -8.893 23.463 -2.796 126 H SER 22 H SER 22 -6.282 21.556 -3.346 127 HA SER 22 HA SER 22 -6.305 21.768 -6.278 128 HB3 SER 22 2HB SER 22 -4.360 23.392 -5.321 129 HG SER 22 HG SER 22 -7.026 24.413 -5.431 130 H PHE 23 H PHE 23 -5.864 19.385 -4.863 131 HA PHE 23 HA PHE 23 -3.012 18.886 -5.565 132 HB3 PHE 23 2HB PHE 23 -3.496 18.856 -3.067 133 HD1 PHE 23 1HD PHE 23 -6.364 18.574 -3.214 134 HD2 PHE 23 2HD PHE 23 -3.389 15.576 -2.635 135 HE1 PHE 23 1HE PHE 23 -8.147 16.896 -2.631 136 HE2 PHE 23 2HE PHE 23 -5.166 13.903 -2.058 137 HZ PHE 23 HZ PHE 23 -7.542 14.571 -2.174 138 H GLU 24 H GLU 24 -2.628 16.800 -6.621 139 HA GLU 24 HA GLU 24 -4.985 15.213 -7.394 140 HB3 GLU 24 2HB GLU 24 -4.398 16.358 -9.349 141 HG3 GLU 24 2HG GLU 24 -1.455 15.865 -8.869 142 H VAL 25 H VAL 25 -4.743 13.187 -6.519 143 HA VAL 25 HA VAL 25 -2.021 12.127 -6.083 144 HB VAL 25 HB VAL 25 -4.274 12.106 -4.006 145 HG11 VAL 25 1HG1 VAL 25 -1.514 10.802 -3.947 146 HG12 VAL 25 2HG1 VAL 25 -2.609 10.922 -2.548 147 HG13 VAL 25 3HG1 VAL 25 -3.080 9.962 -3.951 148 HG21 VAL 25 3HG2 VAL 25 -2.819 14.217 -4.151 149 HG22 VAL 25 1HG2 VAL 25 -3.021 13.390 -2.591 150 HG23 VAL 25 2HG2 VAL 25 -1.522 13.197 -3.509 151 H SER 26 H SER 26 -2.178 10.412 -7.540 152 HA SER 26 HA SER 26 -4.680 8.785 -7.498 153 HB3 SER 26 2HB SER 26 -4.575 8.469 -9.734 154 HG SER 26 HG SER 26 -4.091 10.447 -10.771 155 H VAL 27 H VAL 27 -4.283 6.958 -6.442 156 HA VAL 27 HA VAL 27 -1.498 5.838 -6.462 157 HB VAL 27 HB VAL 27 -3.289 5.027 -4.289 158 HG11 VAL 27 1HG1 VAL 27 -1.312 4.903 -2.972 159 HG12 VAL 27 2HG1 VAL 27 -1.172 4.020 -4.494 160 HG13 VAL 27 3HG1 VAL 27 -0.368 5.610 -4.310 161 HG21 VAL 27 3HG2 VAL 27 -2.564 6.981 -2.812 162 HG22 VAL 27 1HG2 VAL 27 -2.058 7.800 -4.316 163 HG23 VAL 27 2HG2 VAL 27 -3.763 7.387 -4.043 164 H SER 28 H SER 28 -1.338 3.714 -6.864 165 HA SER 28 HA SER 28 -3.617 2.336 -8.148 166 HB3 SER 28 2HB SER 28 -1.715 0.994 -9.099 167 HG SER 28 HG SER 28 -2.142 2.591 -10.467 168 H ILE 29 H ILE 29 -4.292 0.431 -7.334 169 HA ILE 29 HA ILE 29 -3.024 -0.652 -4.882 170 HB ILE 29 HB ILE 29 -5.913 -0.016 -5.570 171 HG13 ILE 29 2HG1 ILE 29 -4.432 1.754 -4.475 172 HG21 ILE 29 1HG2 ILE 29 -6.717 -1.252 -3.707 173 HG22 ILE 29 2HG2 ILE 29 -5.644 -2.356 -4.557 174 HG23 ILE 29 3HG2 ILE 29 -5.095 -1.551 -3.079 175 HD11 ILE 29 3HD1 ILE 29 -5.903 2.355 -2.661 176 HD12 ILE 29 1HD1 ILE 29 -6.844 1.856 -4.077 177 HD13 ILE 29 2HD1 ILE 29 -6.655 0.760 -2.677 178 H GLY 30 H GLY 30 -2.658 -2.740 -5.016 179 HA2 GLY 30 1HA GLY 30 -4.146 -4.680 -6.372 180 HA3 GLY 30 2HA GLY 30 -2.690 -4.332 -7.320 181 H GLY 31 H GLY 31 -2.964 -6.827 -6.202 182 HA2 GLY 31 1HA GLY 31 -0.539 -7.034 -4.691 183 HA3 GLY 31 2HA GLY 31 -1.969 -7.436 -3.704 184 H ALA 32 H ALA 32 -0.389 -9.602 -4.107 185 HA ALA 32 HA ALA 32 -1.715 -11.151 -6.278 186 HB1 ALA 32 1HB ALA 32 1.113 -11.682 -5.322 187 HB2 ALA 32 2HB ALA 32 0.255 -12.434 -6.658 188 HB3 ALA 32 3HB ALA 32 0.734 -10.728 -6.796 189 H ASP 33 H ASP 33 -2.002 -13.387 -5.781 190 HA ASP 33 HA ASP 33 -2.048 -14.030 -2.899 191 HB3 ASP 33 2HB ASP 33 -4.282 -13.187 -3.959 192 H LYS 34 H LYS 34 -3.310 -16.495 -3.190 193 HA LYS 34 HA LYS 34 -0.982 -18.104 -3.988 194 HB3 LYS 34 2HB LYS 34 -3.549 -19.065 -2.643 195 HG3 LYS 34 2HG LYS 34 -0.640 -19.976 -2.518 196 HD3 LYS 34 2HD LYS 34 -3.241 -21.394 -1.782 197 HE3 LYS 34 2HE LYS 34 -1.189 -22.725 -2.584 198 HZ1 LYS 34 3HZ LYS 34 -0.190 -21.765 0.001 199 HZ2 LYS 34 1HZ LYS 34 0.614 -21.906 -1.449 200 HZ3 LYS 34 2HZ LYS 34 0.240 -23.231 -0.569 201 H GLY 35 H GLY 35 -1.656 -17.214 -6.210 202 HA2 GLY 35 1HA GLY 35 -1.906 -19.068 -8.031 203 HA3 GLY 35 2HA GLY 35 -3.588 -19.100 -7.514 204 H GLY 36 H GLY 36 -2.717 -15.877 -7.237 205 HA2 GLY 36 1HA GLY 36 -2.975 -15.095 -10.049 206 HA3 GLY 36 2HA GLY 36 -4.493 -15.103 -9.128 207 HA PRO 37 HA PRO 37 -2.821 -10.988 -7.971 208 HB3 PRO 37 2HB PRO 37 -3.226 -10.028 -10.041 209 HG3 PRO 37 2HG PRO 37 -4.999 -10.802 -11.451 210 HD3 PRO 37 2HD PRO 37 -3.794 -12.782 -11.099 211 H ALA 38 H ALA 38 -3.835 -9.975 -6.202 212 HA ALA 38 HA ALA 38 -5.857 -11.575 -4.789 213 HB1 ALA 38 1HB ALA 38 -4.312 -9.031 -4.061 214 HB2 ALA 38 2HB ALA 38 -5.396 -9.912 -2.977 215 HB3 ALA 38 3HB ALA 38 -3.913 -10.697 -3.564 216 H LYS 39 H LYS 39 -8.030 -11.195 -5.261 217 HA LYS 39 HA LYS 39 -8.974 -8.688 -6.334 218 HB3 LYS 39 2HB LYS 39 -11.207 -9.447 -6.034 219 HG3 LYS 39 2HG LYS 39 -9.339 -11.725 -6.775 220 HD3 LYS 39 2HD LYS 39 -11.984 -11.681 -8.068 221 HE3 LYS 39 2HE LYS 39 -10.465 -13.886 -6.594 222 HZ1 LYS 39 3HZ LYS 39 -12.712 -14.304 -7.642 223 HZ2 LYS 39 1HZ LYS 39 -11.499 -15.312 -8.043 224 HZ3 LYS 39 2HZ LYS 39 -11.969 -14.129 -9.109 225 H LEU 40 H LEU 40 -9.570 -6.824 -5.335 226 HA LEU 40 HA LEU 40 -9.016 -6.665 -2.416 227 HB3 LEU 40 2HB LEU 40 -8.800 -4.294 -2.731 228 HG LEU 40 HG LEU 40 -7.176 -3.746 -4.258 229 HD11 LEU 40 1HD1 LEU 40 -5.372 -5.311 -3.830 230 HD12 LEU 40 2HD1 LEU 40 -6.539 -6.599 -3.467 231 HD13 LEU 40 3HD1 LEU 40 -6.412 -5.180 -2.402 232 HD21 LEU 40 3HD2 LEU 40 -7.282 -6.247 -5.836 233 HD22 LEU 40 1HD2 LEU 40 -6.446 -4.735 -6.188 234 HD23 LEU 40 2HD2 LEU 40 -8.209 -4.807 -6.288 235 H TYR 41 H TYR 41 -10.395 -5.050 -1.253 236 HA TYR 41 HA TYR 41 -13.241 -5.179 -2.068 237 HB3 TYR 41 2HB TYR 41 -13.665 -5.358 0.444 238 HD1 TYR 41 1HD TYR 41 -11.162 -7.776 -1.055 239 HD2 TYR 41 2HD TYR 41 -15.196 -7.054 0.241 240 HE1 TYR 41 1HE TYR 41 -11.739 -10.005 -1.729 241 HE2 TYR 41 2HE TYR 41 -15.817 -9.364 -0.360 242 HH TYR 41 HH TYR 41 -14.734 -11.513 -0.588 243 H ASN 42 H ASN 42 -14.560 -3.711 -1.157 244 HA ASN 42 HA ASN 42 -13.357 -1.129 -0.307 245 HB3 ASN 42 2HB ASN 42 -14.825 -1.010 -2.375 246 HD21 ASN 42 1HD2 ASN 42 -16.334 -3.406 -1.994 247 HD22 ASN 42 2HD2 ASN 42 -17.978 -2.885 -1.857 248 H ASP 43 H ASP 43 -14.887 0.057 1.148 249 HA ASP 43 HA ASP 43 -14.902 -1.430 3.599 250 HB3 ASP 43 2HB ASP 43 -16.040 1.297 3.375 251 H LYS 44 H LYS 44 -17.135 -1.711 1.325 252 HA LYS 44 HA LYS 44 -19.554 -1.882 3.065 253 HB3 LYS 44 2HB LYS 44 -20.701 -2.565 0.953 254 HG3 LYS 44 2HG LYS 44 -20.372 -0.402 -0.291 255 HD3 LYS 44 2HD LYS 44 -20.908 -0.025 2.679 256 HE3 LYS 44 2HE LYS 44 -21.585 1.411 0.111 257 HZ1 LYS 44 3HZ LYS 44 -23.250 2.572 1.069 258 HZ2 LYS 44 1HZ LYS 44 -22.833 2.214 2.622 259 HZ3 LYS 44 2HZ LYS 44 -23.564 1.073 1.684 260 H GLY 45 H GLY 45 -16.813 -3.746 2.164 261 HA2 GLY 45 1HA GLY 45 -16.351 -5.911 2.616 262 HA3 GLY 45 2HA GLY 45 -18.030 -6.228 3.094 263 H GLU 46 H GLU 46 -17.420 -4.752 -0.053 264 HA GLU 46 HA GLU 46 -17.986 -7.365 -1.379 265 HB3 GLU 46 2HB GLU 46 -18.984 -6.162 -3.223 266 HG3 GLU 46 2HG GLU 46 -20.499 -4.911 -0.980 267 H TYR 47 H TYR 47 -16.736 -7.809 -3.236 268 HA TYR 47 HA TYR 47 -14.087 -6.637 -3.190 269 HB3 TYR 47 2HB TYR 47 -14.547 -9.084 -3.487 270 HD1 TYR 47 1HD TYR 47 -17.035 -9.443 -4.125 271 HD2 TYR 47 2HD TYR 47 -13.914 -8.508 -6.942 272 HE1 TYR 47 1HE TYR 47 -18.524 -10.127 -5.946 273 HE2 TYR 47 2HE TYR 47 -15.419 -9.147 -8.815 274 HH TYR 47 HH TYR 47 -18.643 -10.642 -8.148 275 H ILE 48 H ILE 48 -13.145 -5.829 -5.275 276 HA ILE 48 HA ILE 48 -15.071 -4.320 -6.980 277 HB ILE 48 HB ILE 48 -13.816 -2.177 -6.420 278 HG13 ILE 48 2HG1 ILE 48 -11.978 -3.404 -5.075 279 HG21 ILE 48 1HG2 ILE 48 -15.382 -1.614 -4.676 280 HG22 ILE 48 2HG2 ILE 48 -16.173 -2.799 -5.706 281 HG23 ILE 48 3HG2 ILE 48 -15.507 -3.304 -4.153 282 HD11 ILE 48 3HD1 ILE 48 -11.852 -1.461 -3.430 283 HD12 ILE 48 1HD1 ILE 48 -11.954 -1.010 -5.153 284 HD13 ILE 48 2HD1 ILE 48 -13.368 -0.871 -4.099 285 H GLY 49 H GLY 49 -12.942 -6.407 -7.400 286 HA2 GLY 49 1HA GLY 49 -12.021 -6.550 -9.710 287 HA3 GLY 49 2HA GLY 49 -11.308 -4.955 -9.438 288 H ASP 50 H ASP 50 -9.416 -6.520 -10.051 289 HA ASP 50 HA ASP 50 -8.059 -7.152 -7.511 290 HB3 ASP 50 2HB ASP 50 -8.378 -9.278 -8.275 291 H SER 51 H SER 51 -8.298 -4.827 -9.609 292 HA SER 51 HA SER 51 -5.930 -3.713 -8.707 293 HB3 SER 51 2HB SER 51 -4.727 -4.840 -10.263 294 HG SER 51 HG SER 51 -5.566 -4.242 -12.668 295 H TYR 52 H TYR 52 -5.945 -1.447 -9.012 296 HA TYR 52 HA TYR 52 -7.450 -0.049 -10.949 297 HB3 TYR 52 2HB TYR 52 -9.466 -0.659 -9.841 298 HD1 TYR 52 1HD TYR 52 -8.204 1.333 -6.980 299 HD2 TYR 52 2HD TYR 52 -9.358 -2.596 -8.346 300 HE1 TYR 52 1HE TYR 52 -8.599 0.665 -4.659 301 HE2 TYR 52 2HE TYR 52 -9.884 -3.253 -6.065 302 HH TYR 52 HH TYR 52 -9.278 -1.057 -3.235 303 H SER 53 H SER 53 -7.761 2.381 -9.884 304 HA SER 53 HA SER 53 -5.644 2.942 -7.949 305 HB3 SER 53 2HB SER 53 -4.312 3.481 -9.738 306 HG SER 53 HG SER 53 -4.990 3.558 -11.619 307 H ALA 54 H ALA 54 -6.841 3.766 -6.301 308 HA ALA 54 HA ALA 54 -9.229 5.414 -6.928 309 HB1 ALA 54 1HB ALA 54 -9.474 3.656 -5.195 310 HB2 ALA 54 2HB ALA 54 -8.180 4.397 -4.243 311 HB3 ALA 54 3HB ALA 54 -9.680 5.288 -4.519 312 H GLN 55 H GLN 55 -8.906 7.519 -7.286 313 HA GLN 55 HA GLN 55 -6.580 8.974 -6.363 314 HB3 GLN 55 2HB GLN 55 -9.310 10.065 -7.184 315 HG3 GLN 55 2HG GLN 55 -6.525 11.122 -7.852 316 HE21 GLN 55 1HE2 GLN 55 -8.343 13.645 -7.064 317 HE22 GLN 55 2HE2 GLN 55 -9.074 14.029 -8.631 318 H ILE 56 H ILE 56 -6.461 10.321 -4.577 319 HA ILE 56 HA ILE 56 -8.387 9.732 -2.404 320 HB ILE 56 HB ILE 56 -5.950 11.551 -2.315 321 HG13 ILE 56 2HG1 ILE 56 -4.601 9.748 -1.549 322 HG21 ILE 56 1HG2 ILE 56 -7.415 11.931 -0.411 323 HG22 ILE 56 2HG2 ILE 56 -7.564 10.194 -0.082 324 HG23 ILE 56 3HG2 ILE 56 -6.010 11.011 0.153 325 HD11 ILE 56 3HD1 ILE 56 -7.055 7.944 -1.745 326 HD12 ILE 56 1HD1 ILE 56 -5.397 7.390 -1.536 327 HD13 ILE 56 2HD1 ILE 56 -6.163 8.349 -0.252 328 H ARG 57 H ARG 57 -10.187 10.919 -2.265 329 HA ARG 57 HA ARG 57 -10.026 13.859 -2.499 330 HB3 ARG 57 2HB ARG 57 -12.287 13.836 -3.585 331 HG3 ARG 57 2HG ARG 57 -11.608 13.498 -5.900 332 HD3 ARG 57 2HD ARG 57 -9.105 14.709 -4.850 333 HE ARG 57 HE ARG 57 -9.743 15.503 -6.991 334 HH11 ARG 57 1HH1 ARG 57 -11.769 16.954 -4.573 335 HH12 ARG 57 2HH1 ARG 57 -12.941 17.597 -5.646 336 HH21 ARG 57 1HH2 ARG 57 -11.321 16.212 -8.502 337 HH22 ARG 57 2HH2 ARG 57 -12.720 17.086 -7.985 338 H THR 58 H THR 58 -9.866 12.365 -0.256 339 HA THR 58 HA THR 58 -12.212 13.327 1.139 340 HB THR 58 HB THR 58 -12.284 11.126 2.509 341 HG1 THR 58 1HG THR 58 -11.009 9.604 1.885 342 HG21 THR 58 3HG2 THR 58 -13.900 10.053 1.089 343 HG22 THR 58 1HG2 THR 58 -13.242 10.821 -0.362 344 HG23 THR 58 2HG2 THR 58 -14.054 11.804 0.872 345 H ALA 59 H ALA 59 -11.694 13.204 3.636 346 HA ALA 59 HA ALA 59 -9.058 14.203 4.156 347 HB1 ALA 59 1HB ALA 59 -9.753 14.061 6.514 348 HB2 ALA 59 2HB ALA 59 -11.070 14.717 5.521 349 HB3 ALA 59 3HB ALA 59 -11.131 13.028 6.071 350 H THR 60 H THR 60 -10.450 10.910 4.209 351 HA THR 60 HA THR 60 -7.821 9.770 4.352 352 HB THR 60 HB THR 60 -8.067 10.012 6.679 353 HG1 THR 60 1HG THR 60 -7.561 7.819 6.068 354 HG21 THR 60 3HG2 THR 60 -10.907 9.034 6.476 355 HG22 THR 60 1HG2 THR 60 -10.333 10.633 7.013 356 HG23 THR 60 2HG2 THR 60 -9.977 9.212 7.996 357 H MET 61 H MET 61 -7.932 7.438 4.050 358 HA MET 61 HA MET 61 -10.255 6.370 2.591 359 HB3 MET 61 2HB MET 61 -7.850 5.675 1.144 360 HG3 MET 61 2HG MET 61 -8.900 7.212 -0.567 361 HE1 MET 61 3HE MET 61 -8.421 4.250 -0.331 362 HE2 MET 61 1HE MET 61 -9.677 3.552 -1.396 363 HE3 MET 61 2HE MET 61 -8.827 5.048 -1.872 364 H SER 62 H SER 62 -9.698 4.116 1.904 365 HA SER 62 HA SER 62 -7.605 2.692 3.083 366 HB3 SER 62 2HB SER 62 -8.463 1.995 5.027 367 HG SER 62 HG SER 62 -10.342 2.608 5.859 368 H CYS 63 H CYS 63 -7.783 0.306 2.539 369 HA CYS 63 HA CYS 63 -10.002 -0.698 1.025 370 HB3 CYS 63 2HB CYS 63 -8.414 -1.768 -0.717 371 HG CYS 63 HG CYS 63 -10.412 -0.030 -1.137 372 H CYS 64 H CYS 64 -9.665 -3.169 0.791 373 HA CYS 64 HA CYS 64 -7.558 -4.353 2.422 374 HB3 CYS 64 2HB CYS 64 -9.096 -4.001 4.181 375 HG CYS 64 HG CYS 64 -11.206 -3.002 3.434 376 H THR 65 H THR 65 -8.241 -6.907 2.525 377 HA THR 65 HA THR 65 -8.927 -7.767 -0.224 378 HB THR 65 HB THR 65 -7.064 -9.399 0.085 379 HG1 THR 65 1HG THR 65 -5.979 -9.529 1.841 380 HG21 THR 65 3HG2 THR 65 -6.653 -7.186 -1.035 381 HG22 THR 65 1HG2 THR 65 -5.213 -7.854 -0.235 382 HG23 THR 65 2HG2 THR 65 -6.126 -6.530 0.529 383 H ASN 66 H ASN 66 -9.151 -10.345 -0.063 384 HA ASN 66 HA ASN 66 -10.702 -11.101 2.346 385 HB3 ASN 66 2HB ASN 66 -11.937 -11.484 0.200 386 HD21 ASN 66 1HD2 ASN 66 -10.887 -11.662 -1.977 387 HD22 ASN 66 2HD2 ASN 66 -10.214 -13.175 -2.488 388 H GLY 67 H GLY 67 -10.107 -13.838 2.276 389 HA2 GLY 67 1HA GLY 67 -7.388 -13.910 3.319 390 HA3 GLY 67 2HA GLY 67 -8.498 -15.264 3.173 391 H ASN 68 H ASN 68 -7.340 -13.115 0.551 392 HA ASN 68 HA ASN 68 -5.628 -15.228 -0.563 393 HB3 ASN 68 2HB ASN 68 -6.668 -14.753 -2.862 394 HD21 ASN 68 1HD2 ASN 68 -9.545 -15.579 -1.076 395 HD22 ASN 68 2HD2 ASN 68 -9.424 -17.312 -1.264 396 H ALA 69 H ALA 69 -4.191 -13.518 0.439 397 HA ALA 69 HA ALA 69 -3.032 -12.325 -1.866 398 HB1 ALA 69 1HB ALA 69 -3.371 -10.381 0.449 399 HB2 ALA 69 2HB ALA 69 -2.761 -10.062 -1.172 400 HB3 ALA 69 3HB ALA 69 -4.497 -10.382 -0.923 401 H PHE 70 H PHE 70 -0.795 -11.788 -1.460 402 HA PHE 70 HA PHE 70 0.375 -12.669 1.153 403 HB3 PHE 70 2HB PHE 70 2.428 -13.128 -0.304 404 HD1 PHE 70 1HD PHE 70 1.894 -14.785 1.576 405 HD2 PHE 70 2HD PHE 70 0.219 -15.006 -2.390 406 HE1 PHE 70 1HE PHE 70 1.390 -17.186 1.938 407 HE2 PHE 70 2HE PHE 70 -0.168 -17.476 -2.050 408 HZ PHE 70 HZ PHE 70 0.337 -18.524 0.126 409 H PHE 71 H PHE 71 -0.171 -9.987 -0.916 410 HA PHE 71 HA PHE 71 1.178 -8.342 0.896 411 HB3 PHE 71 2HB PHE 71 3.129 -8.983 -0.684 412 HD1 PHE 71 2HD PHE 71 2.222 -10.132 -2.789 413 HD2 PHE 71 1HD PHE 71 2.448 -5.843 -2.313 414 HE1 PHE 71 2HE PHE 71 2.246 -9.815 -5.271 415 HE2 PHE 71 1HE PHE 71 2.342 -5.566 -4.780 416 HZ PHE 71 HZ PHE 71 2.233 -7.550 -6.250 417 H MET 72 H MET 72 0.843 -5.966 0.094 418 HA MET 72 HA MET 72 -1.210 -5.601 -1.956 419 HB3 MET 72 2HB MET 72 -1.558 -4.849 0.965 420 HG3 MET 72 2HG MET 72 -3.583 -4.794 -1.278 421 HE1 MET 72 3HE MET 72 -5.747 -3.352 -0.974 422 HE2 MET 72 1HE MET 72 -6.232 -2.592 0.559 423 HE3 MET 72 2HE MET 72 -4.786 -2.020 -0.299 424 H THR 73 H THR 73 -0.198 -3.979 -3.079 425 HA THR 73 HA THR 73 1.720 -2.217 -1.629 426 HB THR 73 HB THR 73 2.630 -3.497 -3.491 427 HG1 THR 73 1HG THR 73 3.830 -1.783 -3.327 428 HG21 THR 73 3HG2 THR 73 0.798 -1.850 -5.276 429 HG22 THR 73 1HG2 THR 73 0.749 -3.612 -5.037 430 HG23 THR 73 2HG2 THR 73 2.152 -2.883 -5.809 431 H CYS 74 H CYS 74 1.737 0.056 -2.004 432 HA CYS 74 HA CYS 74 -0.742 1.323 -3.006 433 HB3 CYS 74 2HB CYS 74 0.535 2.405 -0.495 434 HG CYS 74 HG CYS 74 -2.522 1.680 -1.502 435 H ALA 75 H ALA 75 0.406 2.072 -4.859 436 HA ALA 75 HA ALA 75 2.662 3.922 -4.308 437 HB1 ALA 75 1HB ALA 75 3.628 1.715 -4.948 438 HB2 ALA 75 2HB ALA 75 2.667 1.756 -6.448 439 HB3 ALA 75 3HB ALA 75 3.925 2.963 -6.179 440 H GLY 76 H GLY 76 2.631 5.770 -5.703 441 HA2 GLY 76 1HA GLY 76 0.571 5.898 -7.806 442 HA3 GLY 76 2HA GLY 76 0.349 6.809 -6.273 443 H SER 77 H SER 77 0.414 8.738 -7.454 444 HA SER 77 HA SER 77 2.947 9.796 -6.915 445 HB3 SER 77 2HB SER 77 3.712 10.529 -8.893 446 HG SER 77 HG SER 77 1.737 8.710 -9.856 447 H VAL 78 H VAL 78 2.753 12.244 -6.856 448 HA VAL 78 HA VAL 78 0.002 13.213 -6.720 449 HB VAL 78 HB VAL 78 0.420 12.650 -4.463 450 HG11 VAL 78 1HG1 VAL 78 2.878 12.374 -4.464 451 HG12 VAL 78 2HG1 VAL 78 3.055 14.148 -4.507 452 HG13 VAL 78 3HG1 VAL 78 2.278 13.353 -3.124 453 HG21 VAL 78 3HG2 VAL 78 1.119 15.624 -4.579 454 HG22 VAL 78 1HG2 VAL 78 -0.520 14.990 -4.761 455 HG23 VAL 78 2HG2 VAL 78 0.355 14.749 -3.247 456 H SER 79 H SER 79 -0.185 15.438 -7.262 457 HA SER 79 HA SER 79 2.332 16.959 -7.664 458 HB3 SER 79 2HB SER 79 2.027 17.354 -9.952 459 HG SER 79 HG SER 79 1.119 15.394 -10.998 460 H SER 80 H SER 80 1.736 19.274 -8.255 461 HA SER 80 HA SER 80 -0.983 20.135 -8.009 462 HB3 SER 80 2HB SER 80 1.051 21.313 -6.017 463 HG SER 80 HG SER 80 -1.773 21.665 -5.981 464 H ILE 81 H ILE 81 -1.201 22.121 -9.035 465 HA ILE 81 HA ILE 81 1.226 23.260 -10.364 466 HB ILE 81 HB ILE 81 0.005 23.395 -12.440 467 HG13 ILE 81 2HG1 ILE 81 -2.333 22.999 -10.894 468 HG21 ILE 81 1HG2 ILE 81 -0.079 20.521 -11.430 469 HG22 ILE 81 2HG2 ILE 81 0.095 21.070 -13.094 470 HG23 ILE 81 3HG2 ILE 81 1.384 21.389 -11.937 471 HD11 ILE 81 3HD1 ILE 81 -2.071 22.899 -13.909 472 HD12 ILE 81 1HD1 ILE 81 -3.530 23.269 -12.965 473 HD13 ILE 81 2HD1 ILE 81 -2.148 24.373 -12.913 474 H SER 82 H SER 82 -0.783 23.899 -8.041 475 HA SER 82 HA SER 82 -2.025 26.352 -8.994 476 HB3 SER 82 2HB SER 82 -3.288 24.915 -7.553 477 HG SER 82 HG SER 82 -1.666 24.001 -6.183 478 H GLU 83 H GLU 83 -1.823 28.074 -6.964 479 HA GLU 83 HA GLU 83 0.811 29.189 -7.434 480 HB3 GLU 83 2HB GLU 83 0.136 31.101 -6.233 481 HG3 GLU 83 2HG GLU 83 -1.957 31.779 -7.166 482 H ALA 84 H ALA 84 2.257 29.912 -5.729 483 HA ALA 84 HA ALA 84 3.204 27.931 -4.018 484 HB1 ALA 84 1HB ALA 84 3.574 30.968 -3.819 485 HB2 ALA 84 2HB ALA 84 4.656 29.747 -3.117 486 HB3 ALA 84 3HB ALA 84 4.507 29.886 -4.885 487 H GLY 85 H GLY 85 3.483 27.912 -1.694 488 HA2 GLY 85 1HA GLY 85 3.027 28.416 0.514 489 HA3 GLY 85 2HA GLY 85 1.853 29.638 0.016 490 H LYS 86 H LYS 86 1.216 26.702 -1.532 491 HA LYS 86 HA LYS 86 -0.980 25.949 0.339 492 HB3 LYS 86 2HB LYS 86 -1.772 24.568 -1.507 493 HG3 LYS 86 2HG LYS 86 -2.076 26.197 -3.376 494 HD3 LYS 86 2HD LYS 86 -2.414 27.287 -0.551 495 HE3 LYS 86 2HE LYS 86 -2.265 29.054 -2.392 496 HZ1 LYS 86 3HZ LYS 86 -4.106 29.301 -3.798 497 HZ2 LYS 86 1HZ LYS 86 -4.998 28.156 -3.014 498 HZ3 LYS 86 2HZ LYS 86 -3.753 27.691 -3.925 499 H ARG 87 H ARG 87 -1.056 23.430 0.616 500 HA ARG 87 HA ARG 87 1.602 22.390 1.278 501 HB3 ARG 87 2HB ARG 87 1.114 24.127 2.966 502 HG3 ARG 87 2HG ARG 87 -1.110 22.382 4.052 503 HD3 ARG 87 2HD ARG 87 -0.144 25.219 4.658 504 HE ARG 87 HE ARG 87 -2.684 24.506 4.866 505 HH11 ARG 87 1HH1 ARG 87 -0.258 24.826 7.417 506 HH12 ARG 87 2HH1 ARG 87 -1.369 25.027 8.716 507 HH21 ARG 87 1HH2 ARG 87 -4.201 24.530 6.546 508 HH22 ARG 87 2HH2 ARG 87 -3.774 24.838 8.184 509 H LEU 88 H LEU 88 1.482 20.160 2.161 510 HA LEU 88 HA LEU 88 -1.142 18.861 2.158 511 HB3 LEU 88 2HB LEU 88 1.036 18.003 0.217 512 HG LEU 88 HG LEU 88 -0.920 16.445 0.788 513 HD11 LEU 88 1HD1 LEU 88 -3.150 16.891 -0.017 514 HD12 LEU 88 2HD1 LEU 88 -2.555 18.113 -1.134 515 HD13 LEU 88 3HD1 LEU 88 -2.607 18.504 0.558 516 HD21 LEU 88 3HD2 LEU 88 0.206 15.740 -1.048 517 HD22 LEU 88 1HD2 LEU 88 -0.220 17.182 -2.025 518 HD23 LEU 88 2HD2 LEU 88 -1.414 15.929 -1.676 519 H HIS 89 H HIS 89 -0.984 17.035 3.478 520 HA HIS 89 HA HIS 89 1.668 15.884 4.149 521 HB3 HIS 89 2HB HIS 89 -0.332 16.678 6.271 522 HD1 HIS 89 1HD HIS 89 3.107 16.808 7.486 523 HD2 HIS 89 2HD HIS 89 0.295 13.719 6.795 524 HE1 HIS 89 1HE HIS 89 3.832 14.833 8.883 525 H ILE 90 H ILE 90 1.249 14.076 3.031 526 HA ILE 90 HA ILE 90 -1.284 12.609 3.428 527 HB ILE 90 HB ILE 90 1.052 12.182 1.519 528 HG13 ILE 90 2HG1 ILE 90 -0.046 14.120 0.827 529 HG21 ILE 90 1HG2 ILE 90 -0.319 10.501 0.404 530 HG22 ILE 90 2HG2 ILE 90 -0.036 10.018 2.072 531 HG23 ILE 90 3HG2 ILE 90 -1.619 10.705 1.617 532 HD11 ILE 90 3HD1 ILE 90 -1.925 12.127 -0.460 533 HD12 ILE 90 1HD1 ILE 90 -1.498 13.752 -1.007 534 HD13 ILE 90 2HD1 ILE 90 -0.260 12.474 -1.060 535 H THR 91 H THR 91 -1.421 10.805 4.661 536 HA THR 91 HA THR 91 1.095 9.618 5.745 537 HB THR 91 HB THR 91 -1.668 9.643 6.952 538 HG1 THR 91 1HG THR 91 -0.934 11.610 7.149 539 HG21 THR 91 3HG2 THR 91 0.981 8.727 8.160 540 HG22 THR 91 1HG2 THR 91 -0.352 7.657 7.666 541 HG23 THR 91 2HG2 THR 91 -0.588 8.780 8.997 542 H VAL 92 H VAL 92 1.278 7.398 5.658 543 HA VAL 92 HA VAL 92 -0.779 5.799 4.248 544 HB VAL 92 HB VAL 92 1.433 4.753 3.138 545 HG11 VAL 92 1HG1 VAL 92 -0.560 5.292 1.916 546 HG12 VAL 92 2HG1 VAL 92 -0.196 7.039 1.974 547 HG13 VAL 92 3HG1 VAL 92 0.837 5.907 1.044 548 HG21 VAL 92 3HG2 VAL 92 2.074 7.720 2.950 549 HG22 VAL 92 1HG2 VAL 92 2.957 6.536 3.922 550 HG23 VAL 92 2HG2 VAL 92 2.924 6.388 2.149 551 H ILE 93 H ILE 93 -1.346 4.314 5.807 552 HA ILE 93 HA ILE 93 0.878 3.031 7.344 553 HB ILE 93 HB ILE 93 -1.925 3.858 8.181 554 HG13 ILE 93 2HG1 ILE 93 0.258 5.415 8.332 555 HG21 ILE 93 1HG2 ILE 93 -1.575 1.597 9.067 556 HG22 ILE 93 2HG2 ILE 93 0.022 2.061 9.682 557 HG23 ILE 93 3HG2 ILE 93 -1.443 2.772 10.374 558 HD11 ILE 93 3HD1 ILE 93 -1.868 6.145 9.257 559 HD12 ILE 93 1HD1 ILE 93 -1.683 5.061 10.648 560 HD13 ILE 93 2HD1 ILE 93 -0.574 6.420 10.429 561 H GLY 94 H GLY 94 0.511 0.685 7.747 562 HA2 GLY 94 1HA GLY 94 -1.243 -0.641 5.734 563 HA3 GLY 94 2HA GLY 94 0.507 -0.867 5.705 564 H TYR 95 H TYR 95 -2.054 -2.537 6.382 565 HA TYR 95 HA TYR 95 -1.204 -3.618 8.998 566 HB3 TYR 95 2HB TYR 95 -3.693 -4.111 9.246 567 HD1 TYR 95 1HD TYR 95 -2.812 -3.181 11.375 568 HD2 TYR 95 2HD TYR 95 -3.960 -0.607 8.075 569 HE1 TYR 95 1HE TYR 95 -2.838 -1.276 12.901 570 HE2 TYR 95 2HE TYR 95 -4.149 1.269 9.656 571 HH TYR 95 HH TYR 95 -3.665 2.076 11.854 572 H ILE 96 H ILE 96 -1.429 -5.800 9.325 573 HA ILE 96 HA ILE 96 -2.138 -7.676 7.152 574 HB ILE 96 HB ILE 96 0.412 -7.583 8.850 575 HG13 ILE 96 2HG1 ILE 96 0.611 -6.277 6.826 576 HG21 ILE 96 1HG2 ILE 96 -0.621 -9.946 8.695 577 HG22 ILE 96 2HG2 ILE 96 -0.246 -9.846 6.963 578 HG23 ILE 96 3HG2 ILE 96 1.029 -9.769 8.182 579 HD11 ILE 96 3HD1 ILE 96 2.537 -7.234 5.929 580 HD12 ILE 96 1HD1 ILE 96 2.449 -8.035 7.482 581 HD13 ILE 96 2HD1 ILE 96 1.903 -8.886 6.013 582 H ASP 97 H ASP 97 -3.723 -8.848 8.086 583 HA ASP 97 HA ASP 97 -4.993 -10.011 9.679 584 HB3 ASP 97 2HB ASP 97 -2.163 -10.975 10.098 585 H ASP 98 H ASP 98 -5.352 -7.867 10.740 586 HA ASP 98 HA ASP 98 -5.628 -6.500 12.423 587 HB3 ASP 98 2HB ASP 98 -5.660 -7.903 14.758 588 H LYS 99 H LYS 99 -2.653 -7.004 11.736 589 HA LYS 99 HA LYS 99 -1.664 -5.376 14.045 590 HB3 LYS 99 2HB LYS 99 0.594 -6.193 13.248 591 HG3 LYS 99 2HG LYS 99 -1.261 -8.258 14.458 592 HD3 LYS 99 2HD LYS 99 1.039 -9.039 14.056 593 HE3 LYS 99 2HE LYS 99 1.752 -6.574 15.715 594 HZ1 LYS 99 3HZ LYS 99 3.124 -8.430 16.338 595 HZ2 LYS 99 1HZ LYS 99 4.043 -7.400 15.457 596 HZ3 LYS 99 2HZ LYS 99 3.488 -8.805 14.805 597 H GLU 100 H GLU 100 -0.155 -3.768 13.571 598 HA GLU 100 HA GLU 100 -0.276 -2.645 10.807 599 HB3 GLU 100 2HB GLU 100 1.117 -1.468 13.234 600 HG3 GLU 100 2HG GLU 100 -0.257 -0.024 10.939 601 H VAL 101 H VAL 101 1.597 -2.843 9.494 602 HA VAL 101 HA VAL 101 4.125 -3.696 10.862 603 HB VAL 101 HB VAL 101 4.680 -5.204 9.093 604 HG11 VAL 101 1HG1 VAL 101 3.420 -6.091 11.041 605 HG12 VAL 101 2HG1 VAL 101 1.902 -5.921 10.127 606 HG13 VAL 101 3HG1 VAL 101 3.170 -7.032 9.567 607 HG21 VAL 101 3HG2 VAL 101 3.409 -4.061 7.243 608 HG22 VAL 101 1HG2 VAL 101 3.258 -5.789 7.300 609 HG23 VAL 101 2HG2 VAL 101 1.913 -4.769 7.895 610 H ASN 102 H ASN 102 2.643 -1.364 8.754 611 HA ASN 102 HA ASN 102 5.343 -0.380 8.102 612 HB3 ASN 102 2HB ASN 102 3.275 -0.288 5.906 613 HD21 ASN 102 1HD2 ASN 102 4.694 -1.415 3.953 614 HD22 ASN 102 2HD2 ASN 102 6.279 -0.763 3.683 615 H ARG 103 H ARG 103 5.366 1.860 8.211 616 HA ARG 103 HA ARG 103 2.984 3.324 7.496 617 HB3 ARG 103 2HB ARG 103 2.331 3.096 9.791 618 HG3 ARG 103 2HG ARG 103 5.198 3.685 10.606 619 HD3 ARG 103 2HD ARG 103 2.594 4.277 11.987 620 HE ARG 103 HE ARG 103 4.333 2.573 13.216 621 HH11 ARG 103 1HH1 ARG 103 3.241 5.876 13.932 622 HH12 ARG 103 2HH1 ARG 103 3.096 5.617 15.633 623 HH21 ARG 103 1HH2 ARG 103 4.017 2.168 15.362 624 HH22 ARG 103 2HH2 ARG 103 3.300 3.329 16.453 625 H LEU 104 H LEU 104 3.524 5.052 6.396 626 HA LEU 104 HA LEU 104 5.655 6.638 7.570 627 HB3 LEU 104 2HB LEU 104 6.847 5.296 5.939 628 HG LEU 104 HG LEU 104 4.831 5.380 4.173 629 HD11 LEU 104 1HD1 LEU 104 4.800 7.762 3.655 630 HD12 LEU 104 2HD1 LEU 104 5.536 6.989 2.284 631 HD13 LEU 104 3HD1 LEU 104 6.538 7.801 3.476 632 HD21 LEU 104 3HD2 LEU 104 6.879 4.041 4.085 633 HD22 LEU 104 1HD2 LEU 104 7.767 5.418 3.400 634 HD23 LEU 104 2HD2 LEU 104 6.453 4.644 2.491 635 H GLU 105 H GLU 105 5.722 8.811 6.075 636 HA GLU 105 HA GLU 105 3.150 9.590 5.005 637 HB3 GLU 105 2HB GLU 105 2.668 10.187 7.155 638 HG3 GLU 105 2HG GLU 105 4.587 9.512 8.403 639 H LYS 106 H LYS 106 3.523 12.095 4.436 640 HA LYS 106 HA LYS 106 6.259 12.688 3.815 641 HB3 LYS 106 2HB LYS 106 4.488 12.801 1.402 642 HG3 LYS 106 2HG LYS 106 7.099 13.433 1.717 643 HD3 LYS 106 2HD LYS 106 7.569 10.993 2.500 644 HE3 LYS 106 2HE LYS 106 6.153 10.226 0.413 645 HZ1 LYS 106 3HZ LYS 106 7.972 11.377 -1.101 646 HZ2 LYS 106 1HZ LYS 106 7.378 9.951 -1.572 647 HZ3 LYS 106 2HZ LYS 106 8.830 10.019 -0.843 648 H GLU 107 H GLU 107 6.090 14.852 2.444 649 HA GLU 107 HA GLU 107 3.810 16.497 3.311 650 HB3 GLU 107 2HB GLU 107 6.655 17.071 4.195 651 HG3 GLU 107 2HG GLU 107 4.015 18.516 4.493 652 H TYR 108 H TYR 108 3.497 18.206 1.766 653 HA TYR 108 HA TYR 108 5.750 18.907 0.057 654 HB3 TYR 108 2HB TYR 108 4.559 18.658 -1.961 655 HD1 TYR 108 2HD TYR 108 6.289 16.652 -1.674 656 HD2 TYR 108 1HD TYR 108 2.138 16.452 -0.673 657 HE1 TYR 108 2HE TYR 108 6.393 14.189 -1.717 658 HE2 TYR 108 1HE TYR 108 2.190 13.943 -0.745 659 HH TYR 108 HH TYR 108 5.146 12.253 -1.863 660 H ILE 109 H ILE 109 5.415 20.977 -1.038 661 HA ILE 109 HA ILE 109 3.283 22.700 -0.084 662 HB ILE 109 HB ILE 109 6.250 23.090 0.539 663 HG13 ILE 109 2HG1 ILE 109 5.144 21.810 2.253 664 HG21 ILE 109 1HG2 ILE 109 5.882 25.311 1.296 665 HG22 ILE 109 2HG2 ILE 109 5.308 25.218 -0.341 666 HG23 ILE 109 3HG2 ILE 109 4.125 25.213 0.988 667 HD11 ILE 109 3HD1 ILE 109 6.658 23.623 3.105 668 HD12 ILE 109 1HD1 ILE 109 5.191 24.592 3.428 669 HD13 ILE 109 2HD1 ILE 109 5.424 23.036 4.229 670 H THR 110 H THR 110 2.917 24.377 -1.701 671 HA THR 110 HA THR 110 4.341 24.015 -4.245 672 HB THR 110 HB THR 110 2.777 25.904 -4.925 673 HG1 THR 110 1HG THR 110 1.154 26.426 -3.707 674 HG21 THR 110 3HG2 THR 110 0.775 24.508 -5.128 675 HG22 THR 110 1HG2 THR 110 1.359 23.428 -3.835 676 HG23 THR 110 2HG2 THR 110 2.214 23.497 -5.386 677 H ASP 111 H ASP 111 5.726 25.564 -5.182 678 HA ASP 111 HA ASP 111 6.125 28.124 -3.729 679 HB3 ASP 111 2HB ASP 111 8.497 26.458 -4.593 680 H GLY 112 H GLY 112 4.766 27.314 -6.292 681 HA2 GLY 112 1HA GLY 112 4.294 28.713 -8.045 682 HA3 GLY 112 2HA GLY 112 5.896 29.433 -7.970 683 H ASN 113 H ASN 113 6.796 26.374 -7.686 684 HA ASN 113 HA ASN 113 7.272 25.927 -10.532 685 HB3 ASN 113 2HB ASN 113 8.696 24.106 -9.705 686 HD21 ASN 113 1HD2 ASN 113 9.796 26.024 -10.540 687 HD22 ASN 113 2HD2 ASN 113 10.834 26.929 -9.388 688 H THR 114 H THR 114 6.955 23.498 -11.237 689 HA THR 114 HA THR 114 4.353 22.445 -10.601 690 HB THR 114 HB THR 114 5.768 20.384 -11.737 691 HG1 THR 114 1HG THR 114 6.952 21.644 -13.444 692 HG21 THR 114 3HG2 THR 114 3.681 21.398 -12.552 693 HG22 THR 114 1HG2 THR 114 4.841 21.175 -13.872 694 HG23 THR 114 2HG2 THR 114 4.584 22.795 -13.179 695 H LEU 115 H LEU 115 3.862 21.589 -8.742 696 HA LEU 115 HA LEU 115 5.816 20.279 -6.958 697 HB3 LEU 115 2HB LEU 115 2.848 20.834 -6.856 698 HG LEU 115 HG LEU 115 3.171 18.414 -6.152 699 HD11 LEU 115 1HD1 LEU 115 5.507 18.799 -5.284 700 HD12 LEU 115 2HD1 LEU 115 4.396 17.923 -4.237 701 HD13 LEU 115 3HD1 LEU 115 4.721 19.681 -3.947 702 HD21 LEU 115 3HD2 LEU 115 2.219 20.416 -4.150 703 HD22 LEU 115 1HD2 LEU 115 2.415 18.704 -3.687 704 HD23 LEU 115 2HD2 LEU 115 1.371 19.078 -5.013 705 H ILE 116 H ILE 116 5.958 18.119 -6.954 706 HA ILE 116 HA ILE 116 4.239 16.280 -8.118 707 HB ILE 116 HB ILE 116 6.926 16.387 -9.566 708 HG13 ILE 116 2HG1 ILE 116 5.489 18.155 -10.349 709 HG21 ILE 116 1HG2 ILE 116 4.479 14.554 -9.864 710 HG22 ILE 116 2HG2 ILE 116 5.909 14.504 -10.907 711 HG23 ILE 116 3HG2 ILE 116 6.069 14.075 -9.233 712 HD11 ILE 116 3HD1 ILE 116 5.132 17.726 -12.656 713 HD12 ILE 116 1HD1 ILE 116 6.711 17.092 -12.142 714 HD13 ILE 116 2HD1 ILE 116 5.324 15.989 -12.409 715 H GLU 117 H GLU 117 4.786 14.301 -7.233 716 HA GLU 117 HA GLU 117 7.358 13.579 -6.260 717 HB3 GLU 117 2HB GLU 117 5.799 13.401 -3.838 718 HG3 GLU 117 2HG GLU 117 7.779 15.065 -3.162 719 H THR 118 H THR 118 7.139 11.398 -4.965 720 HA THR 118 HA THR 118 4.695 9.879 -5.696 721 HB THR 118 HB THR 118 6.201 7.935 -6.196 722 HG1 THR 118 1HG THR 118 8.292 8.339 -6.815 723 HG21 THR 118 3HG2 THR 118 5.069 9.038 -8.016 724 HG22 THR 118 1HG2 THR 118 6.692 8.578 -8.532 725 HG23 THR 118 2HG2 THR 118 6.336 10.277 -8.131 726 H PHE 119 H PHE 119 4.758 7.864 -4.511 727 HA PHE 119 HA PHE 119 6.409 7.513 -2.164 728 HB3 PHE 119 2HB PHE 119 4.886 8.972 -1.029 729 HD1 PHE 119 1HD PHE 119 3.358 10.318 -2.405 730 HD2 PHE 119 2HD PHE 119 2.408 6.229 -1.403 731 HE1 PHE 119 1HE PHE 119 1.072 10.613 -3.329 732 HE2 PHE 119 2HE PHE 119 0.094 6.583 -2.188 733 HZ PHE 119 HZ PHE 119 -0.591 8.785 -3.086 734 H SER 120 H SER 120 5.978 5.253 -1.292 735 HA SER 120 HA SER 120 4.140 3.644 -2.671 736 HB3 SER 120 2HB SER 120 5.510 3.572 -4.555 737 HG SER 120 HG SER 120 7.742 2.529 -3.990 738 H VAL 121 H VAL 121 3.524 2.126 -1.308 739 HA VAL 121 HA VAL 121 5.353 1.213 0.842 740 HB VAL 121 HB VAL 121 3.854 3.133 1.423 741 HG11 VAL 121 1HG1 VAL 121 1.552 1.485 1.057 742 HG12 VAL 121 2HG1 VAL 121 1.630 2.940 2.087 743 HG13 VAL 121 3HG1 VAL 121 2.057 3.143 0.407 744 HG21 VAL 121 3HG2 VAL 121 3.084 2.367 3.548 745 HG22 VAL 121 1HG2 VAL 121 3.002 0.696 2.931 746 HG23 VAL 121 2HG2 VAL 121 4.600 1.481 3.211 747 H SER 122 H SER 122 4.843 -0.989 1.615 748 HA SER 122 HA SER 122 2.727 -2.419 0.149 749 HB3 SER 122 2HB SER 122 5.563 -3.479 0.556 750 HG SER 122 HG SER 122 4.921 -5.092 -0.771 751 H THR 123 H THR 123 2.829 -4.738 1.289 752 HA THR 123 HA THR 123 3.394 -4.530 4.166 753 HB THR 123 HB THR 123 1.252 -5.797 4.651 754 HG1 THR 123 1HG THR 123 -0.398 -4.865 3.037 755 HG21 THR 123 3HG2 THR 123 0.018 -3.802 5.061 756 HG22 THR 123 1HG2 THR 123 0.893 -2.910 3.789 757 HG23 THR 123 2HG2 THR 123 1.725 -3.416 5.272 758 H LYS 124 H LYS 124 4.984 -5.636 2.095 759 HA LYS 124 HA LYS 124 5.650 -7.913 3.395 760 HB3 LYS 124 2HB LYS 124 4.922 -8.846 0.648 761 HG3 LYS 124 2HG LYS 124 6.156 -10.169 2.503 762 HD3 LYS 124 2HD LYS 124 4.439 -11.678 3.697 763 HE3 LYS 124 2HE LYS 124 4.388 -8.835 4.772 764 HZ1 LYS 124 3HZ LYS 124 3.380 -10.652 6.113 765 HZ2 LYS 124 1HZ LYS 124 4.653 -9.893 6.835 766 HZ3 LYS 124 2HZ LYS 124 4.861 -11.383 6.188 767 H GLU 125 H GLU 125 7.809 -7.794 3.184 768 HA GLU 125 HA GLU 125 8.958 -6.739 0.640 769 HB3 GLU 125 2HB GLU 125 10.848 -5.969 2.015 770 HG3 GLU 125 2HG GLU 125 8.872 -4.445 1.511 771 H ILE 126 H ILE 126 9.810 -8.382 -0.499 772 HA ILE 126 HA ILE 126 11.389 -10.461 0.873 773 HB ILE 126 HB ILE 126 9.579 -11.081 -1.493 774 HG13 ILE 126 2HG1 ILE 126 8.121 -10.481 0.463 775 HG21 ILE 126 1HG2 ILE 126 11.615 -12.527 -1.026 776 HG22 ILE 126 2HG2 ILE 126 10.917 -12.922 0.560 777 HG23 ILE 126 3HG2 ILE 126 10.095 -13.410 -0.941 778 HD11 ILE 126 3HD1 ILE 126 8.035 -13.468 0.083 779 HD12 ILE 126 1HD1 ILE 126 6.723 -12.347 0.453 780 HD13 ILE 126 2HD1 ILE 126 7.469 -12.304 -1.151 Start of MODEL 14 1 H1 GLY 1 H GLY 1 11.995 -24.267 14.366 2 HA2 GLY 1 1HA GLY 1 13.941 -23.307 13.314 3 HA3 GLY 1 2HA GLY 1 12.959 -23.022 11.864 4 H ALA 2 H ALA 2 13.662 -20.866 11.996 5 HA ALA 2 HA ALA 2 11.984 -19.058 13.600 6 HB1 ALA 2 1HB ALA 2 14.242 -18.351 12.659 7 HB2 ALA 2 2HB ALA 2 13.585 -18.642 11.032 8 HB3 ALA 2 3HB ALA 2 12.894 -17.383 12.068 9 H SER 3 H SER 3 10.124 -18.063 12.393 10 HA SER 3 HA SER 3 9.150 -19.343 9.953 11 HB3 SER 3 2HB SER 3 7.964 -19.970 12.680 12 HG SER 3 HG SER 3 6.389 -19.637 11.094 13 H ASP 4 H ASP 4 9.586 -16.753 10.001 14 HA ASP 4 HA ASP 4 7.326 -15.168 10.935 15 HB3 ASP 4 2HB ASP 4 8.189 -13.434 9.366 16 H PHE 5 H PHE 5 5.503 -16.333 10.213 17 HA PHE 5 HA PHE 5 4.738 -15.785 7.420 18 HB3 PHE 5 2HB PHE 5 3.656 -18.011 7.271 19 HD1 PHE 5 2HD PHE 5 5.457 -16.868 5.522 20 HD2 PHE 5 1HD PHE 5 6.330 -19.858 8.499 21 HE1 PHE 5 2HE PHE 5 7.453 -17.565 4.230 22 HE2 PHE 5 1HE PHE 5 8.332 -20.553 7.206 23 HZ PHE 5 HZ PHE 5 8.885 -19.394 5.066 24 H GLN 6 H GLN 6 3.223 -14.237 7.932 25 HA GLN 6 HA GLN 6 0.833 -15.072 9.302 26 HB3 GLN 6 2HB GLN 6 0.962 -12.560 10.195 27 HG3 GLN 6 2HG GLN 6 2.382 -14.184 12.157 28 HE21 GLN 6 1HE2 GLN 6 -1.078 -13.277 11.196 29 HE22 GLN 6 2HE2 GLN 6 -1.462 -12.616 12.756 30 H THR 7 H THR 7 -0.422 -14.900 7.554 31 HA THR 7 HA THR 7 -0.701 -12.286 6.277 32 HB THR 7 HB THR 7 -1.253 -13.558 4.119 33 HG1 THR 7 1HG THR 7 -1.080 -15.604 4.290 34 HG21 THR 7 3HG2 THR 7 0.728 -12.142 4.301 35 HG22 THR 7 1HG2 THR 7 1.087 -13.611 3.379 36 HG23 THR 7 2HG2 THR 7 1.649 -13.483 5.046 37 H GLY 8 H GLY 8 -3.017 -12.386 5.101 38 HA2 GLY 8 1HA GLY 8 -5.107 -13.941 6.032 39 HA3 GLY 8 2HA GLY 8 -4.813 -12.761 7.308 40 H ILE 9 H ILE 9 -5.511 -10.639 6.974 41 HA ILE 9 HA ILE 9 -6.630 -10.002 4.272 42 HB ILE 9 HB ILE 9 -7.601 -8.793 6.893 43 HG13 ILE 9 2HG1 ILE 9 -8.583 -11.275 5.472 44 HG21 ILE 9 1HG2 ILE 9 -8.704 -8.809 4.063 45 HG22 ILE 9 2HG2 ILE 9 -9.456 -8.017 5.461 46 HG23 ILE 9 3HG2 ILE 9 -7.901 -7.434 4.855 47 HD11 ILE 9 3HD1 ILE 9 -8.675 -10.336 8.382 48 HD12 ILE 9 1HD1 ILE 9 -9.311 -11.865 7.779 49 HD13 ILE 9 2HD1 ILE 9 -7.570 -11.564 7.725 50 H HIS 10 H HIS 10 -5.078 -8.738 3.316 51 HA HIS 10 HA HIS 10 -3.368 -6.938 4.897 52 HB3 HIS 10 2HB HIS 10 -2.662 -6.144 2.628 53 HD1 HIS 10 1HD HIS 10 -0.252 -6.996 3.015 54 HD2 HIS 10 2HD HIS 10 -3.185 -10.043 2.931 55 HE1 HIS 10 1HE HIS 10 0.956 -9.221 3.302 56 H LYS 11 H LYS 11 -3.657 -4.664 5.022 57 HA LYS 11 HA LYS 11 -5.854 -3.466 3.521 58 HB3 LYS 11 2HB LYS 11 -6.594 -4.247 5.965 59 HG3 LYS 11 2HG LYS 11 -4.881 -2.246 6.806 60 HD3 LYS 11 2HD LYS 11 -6.724 -0.584 6.149 61 HE3 LYS 11 2HE LYS 11 -8.348 -0.262 8.088 62 HZ1 LYS 11 3HZ LYS 11 -10.037 -1.328 7.125 63 HZ2 LYS 11 1HZ LYS 11 -9.180 -2.637 6.592 64 HZ3 LYS 11 2HZ LYS 11 -9.080 -1.163 5.840 65 H ILE 12 H ILE 12 -5.767 -1.100 3.517 66 HA ILE 12 HA ILE 12 -3.282 0.130 4.555 67 HB ILE 12 HB ILE 12 -4.579 0.368 1.826 68 HG13 ILE 12 2HG1 ILE 12 -2.380 0.081 0.925 69 HG21 ILE 12 1HG2 ILE 12 -4.368 2.626 2.413 70 HG22 ILE 12 2HG2 ILE 12 -2.737 2.417 3.092 71 HG23 ILE 12 3HG2 ILE 12 -3.009 2.270 1.354 72 HD11 ILE 12 3HD1 ILE 12 -0.389 -0.473 2.108 73 HD12 ILE 12 1HD1 ILE 12 -0.995 0.974 2.908 74 HD13 ILE 12 2HD1 ILE 12 -1.269 -0.635 3.618 75 H VAL 13 H VAL 13 -3.624 2.314 5.202 76 HA VAL 13 HA VAL 13 -6.353 3.422 5.033 77 HB VAL 13 HB VAL 13 -4.505 3.831 7.428 78 HG11 VAL 13 1HG1 VAL 13 -6.474 4.796 8.492 79 HG12 VAL 13 2HG1 VAL 13 -6.218 5.615 6.935 80 HG13 VAL 13 3HG1 VAL 13 -7.488 4.389 7.114 81 HG21 VAL 13 3HG2 VAL 13 -5.211 1.502 7.558 82 HG22 VAL 13 1HG2 VAL 13 -6.089 2.445 8.760 83 HG23 VAL 13 2HG2 VAL 13 -6.906 1.961 7.255 84 H ILE 14 H ILE 14 -6.190 5.558 4.151 85 HA ILE 14 HA ILE 14 -3.444 6.681 3.955 86 HB ILE 14 HB ILE 14 -5.497 6.761 1.709 87 HG13 ILE 14 2HG1 ILE 14 -3.582 4.701 2.222 88 HG21 ILE 14 1HG2 ILE 14 -4.221 8.808 1.757 89 HG22 ILE 14 2HG2 ILE 14 -2.704 7.928 2.008 90 HG23 ILE 14 3HG2 ILE 14 -3.547 7.816 0.455 91 HD11 ILE 14 3HD1 ILE 14 -4.817 5.312 -0.485 92 HD12 ILE 14 1HD1 ILE 14 -4.390 3.737 0.162 93 HD13 ILE 14 2HD1 ILE 14 -5.772 4.609 0.847 94 H GLN 15 H GLN 15 -3.423 8.709 4.702 95 HA GLN 15 HA GLN 15 -6.035 10.131 4.913 96 HB3 GLN 15 2HB GLN 15 -5.391 11.058 7.025 97 HG3 GLN 15 2HG GLN 15 -6.248 8.451 6.839 98 HE21 GLN 15 1HE2 GLN 15 -4.470 8.868 9.761 99 HE22 GLN 15 2HE2 GLN 15 -3.246 7.617 9.545 100 H GLN 16 H GLN 16 -5.714 12.478 5.215 101 HA GLN 16 HA GLN 16 -3.121 13.485 4.469 102 HB3 GLN 16 2HB GLN 16 -4.259 13.022 2.226 103 HG3 GLN 16 2HG GLN 16 -5.987 15.379 2.998 104 HE21 GLN 16 1HE2 GLN 16 -7.955 14.053 1.078 105 HE22 GLN 16 2HE2 GLN 16 -7.315 14.447 -0.529 106 H SER 17 H SER 17 -2.871 15.779 4.797 107 HA SER 17 HA SER 17 -5.208 17.308 5.614 108 HB3 SER 17 2HB SER 17 -4.115 18.205 7.671 109 HG SER 17 HG SER 17 -4.468 16.442 8.967 110 H GLY 18 H GLY 18 -4.878 19.598 5.075 111 HA2 GLY 18 1HA GLY 18 -2.786 21.110 4.371 112 HA3 GLY 18 2HA GLY 18 -2.758 19.913 3.078 113 H ASP 19 H ASP 19 -3.267 21.362 1.503 114 HA ASP 19 HA ASP 19 -5.905 22.738 1.391 115 HB3 ASP 19 2HB ASP 19 -4.787 23.132 -1.071 116 H THR 20 H THR 20 -6.841 20.563 1.757 117 HA THR 20 HA THR 20 -6.119 18.379 0.077 118 HB THR 20 HB THR 20 -7.838 17.227 1.525 119 HG1 THR 20 1HG THR 20 -9.029 19.328 1.934 120 HG21 THR 20 3HG2 THR 20 -5.474 17.365 2.156 121 HG22 THR 20 1HG2 THR 20 -6.564 17.426 3.592 122 HG23 THR 20 2HG2 THR 20 -5.803 18.885 2.966 123 H ASP 21 H ASP 21 -7.488 20.536 -1.388 124 HA ASP 21 HA ASP 21 -9.285 18.746 -2.884 125 HB3 ASP 21 2HB ASP 21 -10.042 21.632 -2.358 126 H SER 22 H SER 22 -6.486 20.161 -2.903 127 HA SER 22 HA SER 22 -6.607 21.337 -5.644 128 HB3 SER 22 2HB SER 22 -5.078 23.047 -4.812 129 HG SER 22 HG SER 22 -7.413 23.299 -4.474 130 H PHE 23 H PHE 23 -5.668 18.519 -4.496 131 HA PHE 23 HA PHE 23 -3.000 18.630 -5.809 132 HB3 PHE 23 2HB PHE 23 -2.414 16.834 -4.028 133 HD1 PHE 23 2HD PHE 23 -3.530 20.217 -2.714 134 HD2 PHE 23 1HD PHE 23 -0.254 17.630 -3.780 135 HE1 PHE 23 2HE PHE 23 -1.923 21.916 -1.917 136 HE2 PHE 23 1HE PHE 23 1.334 19.266 -2.848 137 HZ PHE 23 HZ PHE 23 0.532 21.458 -2.001 138 H GLU 24 H GLU 24 -2.714 17.142 -7.242 139 HA GLU 24 HA GLU 24 -4.876 15.248 -7.865 140 HB3 GLU 24 2HB GLU 24 -3.507 15.024 -9.984 141 HG3 GLU 24 2HG GLU 24 -5.410 16.663 -9.862 142 H VAL 25 H VAL 25 -4.232 14.157 -5.855 143 HA VAL 25 HA VAL 25 -1.954 12.353 -5.929 144 HB VAL 25 HB VAL 25 -2.501 13.206 -3.833 145 HG11 VAL 25 1HG1 VAL 25 -5.347 12.569 -4.071 146 HG12 VAL 25 2HG1 VAL 25 -4.465 13.196 -2.621 147 HG13 VAL 25 3HG1 VAL 25 -4.568 14.149 -4.059 148 HG21 VAL 25 3HG2 VAL 25 -1.851 10.837 -3.868 149 HG22 VAL 25 1HG2 VAL 25 -2.699 11.393 -2.409 150 HG23 VAL 25 2HG2 VAL 25 -3.548 10.446 -3.654 151 H SER 26 H SER 26 -2.178 10.873 -7.653 152 HA SER 26 HA SER 26 -4.581 9.112 -7.483 153 HB3 SER 26 2HB SER 26 -3.649 7.986 -9.452 154 HG SER 26 HG SER 26 -3.837 9.677 -10.934 155 H VAL 27 H VAL 27 -4.381 7.147 -6.527 156 HA VAL 27 HA VAL 27 -1.631 6.084 -5.980 157 HB VAL 27 HB VAL 27 -3.996 5.099 -4.462 158 HG11 VAL 27 1HG1 VAL 27 -1.072 5.426 -3.808 159 HG12 VAL 27 2HG1 VAL 27 -2.297 4.945 -2.628 160 HG13 VAL 27 3HG1 VAL 27 -1.990 3.928 -4.034 161 HG21 VAL 27 3HG2 VAL 27 -4.337 7.461 -4.119 162 HG22 VAL 27 1HG2 VAL 27 -3.545 6.862 -2.663 163 HG23 VAL 27 2HG2 VAL 27 -2.608 7.759 -3.892 164 H SER 28 H SER 28 -1.589 3.669 -5.957 165 HA SER 28 HA SER 28 -3.201 2.440 -8.109 166 HB3 SER 28 2HB SER 28 -0.283 2.093 -7.352 167 HG SER 28 HG SER 28 -0.914 0.474 -8.706 168 H ILE 29 H ILE 29 -4.077 0.494 -7.426 169 HA ILE 29 HA ILE 29 -3.178 -0.591 -4.794 170 HB ILE 29 HB ILE 29 -5.957 0.044 -5.829 171 HG13 ILE 29 2HG1 ILE 29 -4.522 1.935 -4.793 172 HG21 ILE 29 1HG2 ILE 29 -5.110 -1.427 -3.285 173 HG22 ILE 29 2HG2 ILE 29 -6.765 -0.880 -3.620 174 HG23 ILE 29 3HG2 ILE 29 -6.036 -2.103 -4.646 175 HD11 ILE 29 3HD1 ILE 29 -6.909 2.212 -4.890 176 HD12 ILE 29 1HD1 ILE 29 -7.100 1.278 -3.390 177 HD13 ILE 29 2HD1 ILE 29 -6.246 2.822 -3.357 178 H GLY 30 H GLY 30 -2.532 -2.647 -4.988 179 HA2 GLY 30 1HA GLY 30 -3.961 -4.567 -6.593 180 HA3 GLY 30 2HA GLY 30 -2.354 -4.183 -7.211 181 H GLY 31 H GLY 31 -2.709 -6.773 -6.402 182 HA2 GLY 31 1HA GLY 31 -0.633 -7.253 -4.627 183 HA3 GLY 31 2HA GLY 31 -2.140 -7.368 -3.687 184 H ALA 32 H ALA 32 -0.889 -9.715 -3.784 185 HA ALA 32 HA ALA 32 -2.248 -11.287 -5.919 186 HB1 ALA 32 1HB ALA 32 0.593 -11.734 -4.894 187 HB2 ALA 32 2HB ALA 32 -0.233 -12.692 -6.109 188 HB3 ALA 32 3HB ALA 32 0.178 -11.016 -6.491 189 H ASP 33 H ASP 33 -2.603 -13.457 -5.435 190 HA ASP 33 HA ASP 33 -1.974 -14.485 -2.781 191 HB3 ASP 33 2HB ASP 33 -4.240 -14.105 -2.489 192 H LYS 34 H LYS 34 -1.493 -16.559 -2.792 193 HA LYS 34 HA LYS 34 -0.066 -18.201 -3.676 194 HB3 LYS 34 2HB LYS 34 -2.862 -18.904 -4.589 195 HG3 LYS 34 2HG LYS 34 -0.284 -20.414 -4.275 196 HD3 LYS 34 2HD LYS 34 -1.416 -21.523 -2.502 197 HE3 LYS 34 2HE LYS 34 -3.703 -20.535 -2.871 198 HZ1 LYS 34 3HZ LYS 34 -3.931 -21.368 -5.227 199 HZ2 LYS 34 1HZ LYS 34 -5.193 -21.639 -4.216 200 HZ3 LYS 34 2HZ LYS 34 -4.172 -22.882 -4.576 201 H GLY 35 H GLY 35 0.143 -15.990 -5.372 202 HA2 GLY 35 1HA GLY 35 1.765 -15.852 -7.149 203 HA3 GLY 35 2HA GLY 35 1.478 -17.527 -7.568 204 H GLY 36 H GLY 36 -1.186 -15.150 -7.109 205 HA2 GLY 36 1HA GLY 36 -1.520 -14.579 -9.939 206 HA3 GLY 36 2HA GLY 36 -2.754 -15.638 -9.220 207 HA PRO 37 HA PRO 37 -3.375 -11.036 -8.285 208 HB3 PRO 37 2HB PRO 37 -4.062 -10.449 -10.405 209 HG3 PRO 37 2HG PRO 37 -5.141 -12.021 -11.851 210 HD3 PRO 37 2HD PRO 37 -3.154 -13.090 -11.154 211 H ALA 38 H ALA 38 -4.858 -10.050 -6.760 212 HA ALA 38 HA ALA 38 -6.790 -11.946 -5.509 213 HB1 ALA 38 1HB ALA 38 -4.814 -11.607 -4.126 214 HB2 ALA 38 2HB ALA 38 -5.008 -9.837 -4.240 215 HB3 ALA 38 3HB ALA 38 -6.220 -10.828 -3.388 216 H LYS 39 H LYS 39 -8.929 -11.209 -5.369 217 HA LYS 39 HA LYS 39 -9.711 -8.654 -6.401 218 HB3 LYS 39 2HB LYS 39 -11.888 -9.386 -4.991 219 HG3 LYS 39 2HG LYS 39 -12.159 -11.249 -6.916 220 HD3 LYS 39 2HD LYS 39 -12.071 -8.230 -7.362 221 HE3 LYS 39 2HE LYS 39 -12.357 -9.419 -9.539 222 HZ1 LYS 39 3HZ LYS 39 -14.720 -10.578 -8.179 223 HZ2 LYS 39 1HZ LYS 39 -13.586 -11.353 -9.044 224 HZ3 LYS 39 2HZ LYS 39 -14.652 -10.405 -9.822 225 H LEU 40 H LEU 40 -9.501 -6.754 -5.534 226 HA LEU 40 HA LEU 40 -8.959 -6.364 -2.662 227 HB3 LEU 40 2HB LEU 40 -8.202 -4.135 -3.351 228 HG LEU 40 HG LEU 40 -6.985 -6.585 -4.495 229 HD11 LEU 40 1HD1 LEU 40 -6.206 -4.013 -5.868 230 HD12 LEU 40 2HD1 LEU 40 -7.335 -5.200 -6.545 231 HD13 LEU 40 3HD1 LEU 40 -5.690 -5.701 -6.190 232 HD21 LEU 40 3HD2 LEU 40 -6.170 -5.548 -2.445 233 HD22 LEU 40 1HD2 LEU 40 -5.798 -4.048 -3.315 234 HD23 LEU 40 2HD2 LEU 40 -4.912 -5.548 -3.687 235 H TYR 41 H TYR 41 -10.001 -4.466 -1.648 236 HA TYR 41 HA TYR 41 -12.784 -4.046 -2.557 237 HB3 TYR 41 2HB TYR 41 -13.457 -4.262 -0.178 238 HD1 TYR 41 1HD TYR 41 -11.170 -7.090 -1.397 239 HD2 TYR 41 2HD TYR 41 -15.150 -5.768 -0.390 240 HE1 TYR 41 1HE TYR 41 -12.053 -9.267 -2.062 241 HE2 TYR 41 2HE TYR 41 -16.040 -7.985 -0.927 242 HH TYR 41 HH TYR 41 -15.457 -10.244 -1.403 243 H ASN 42 H ASN 42 -13.713 -2.253 -2.093 244 HA ASN 42 HA ASN 42 -12.022 0.064 -1.519 245 HB3 ASN 42 2HB ASN 42 -13.898 -0.121 -3.351 246 HD21 ASN 42 1HD2 ASN 42 -15.795 -1.566 -2.532 247 HD22 ASN 42 2HD2 ASN 42 -17.178 -0.593 -2.079 248 H ASP 43 H ASP 43 -13.395 1.802 -0.266 249 HA ASP 43 HA ASP 43 -13.155 1.028 2.498 250 HB3 ASP 43 2HB ASP 43 -12.546 3.265 1.501 251 H LYS 44 H LYS 44 -15.817 0.603 0.449 252 HA LYS 44 HA LYS 44 -17.758 0.697 2.695 253 HB3 LYS 44 2HB LYS 44 -19.478 0.994 0.992 254 HG3 LYS 44 2HG LYS 44 -17.538 3.182 0.308 255 HD3 LYS 44 2HD LYS 44 -19.399 4.504 1.584 256 HE3 LYS 44 2HE LYS 44 -21.112 4.090 -0.369 257 HZ1 LYS 44 3HZ LYS 44 -19.723 5.941 -0.510 258 HZ2 LYS 44 1HZ LYS 44 -19.458 5.142 -1.933 259 HZ3 LYS 44 2HZ LYS 44 -18.362 5.092 -0.687 260 H GLY 45 H GLY 45 -15.793 -1.364 1.791 261 HA2 GLY 45 1HA GLY 45 -15.700 -3.480 2.272 262 HA3 GLY 45 2HA GLY 45 -17.400 -3.452 2.778 263 H GLU 46 H GLU 46 -16.908 -2.559 -0.463 264 HA GLU 46 HA GLU 46 -17.825 -5.152 -1.584 265 HB3 GLU 46 2HB GLU 46 -18.199 -3.233 -3.495 266 HG3 GLU 46 2HG GLU 46 -20.541 -2.907 -2.469 267 H TYR 47 H TYR 47 -16.786 -5.847 -3.566 268 HA TYR 47 HA TYR 47 -13.984 -5.091 -3.666 269 HB3 TYR 47 2HB TYR 47 -14.743 -7.454 -3.834 270 HD1 TYR 47 2HD TYR 47 -14.428 -6.541 -7.389 271 HD2 TYR 47 1HD TYR 47 -17.099 -8.034 -4.344 272 HE1 TYR 47 2HE TYR 47 -16.026 -7.189 -9.131 273 HE2 TYR 47 1HE TYR 47 -18.699 -8.734 -6.087 274 HH TYR 47 HH TYR 47 -17.890 -8.419 -9.557 275 H ILE 48 H ILE 48 -13.034 -4.452 -5.700 276 HA ILE 48 HA ILE 48 -14.831 -3.139 -7.665 277 HB ILE 48 HB ILE 48 -13.004 -1.214 -7.618 278 HG13 ILE 48 2HG1 ILE 48 -11.724 -2.291 -5.719 279 HG21 ILE 48 1HG2 ILE 48 -15.463 -0.987 -7.334 280 HG22 ILE 48 2HG2 ILE 48 -15.295 -1.322 -5.589 281 HG23 ILE 48 3HG2 ILE 48 -14.596 0.134 -6.311 282 HD11 ILE 48 3HD1 ILE 48 -12.810 0.519 -5.200 283 HD12 ILE 48 1HD1 ILE 48 -11.366 -0.176 -4.506 284 HD13 ILE 48 2HD1 ILE 48 -11.449 0.109 -6.262 285 H GLY 49 H GLY 49 -11.962 -5.028 -7.096 286 HA2 GLY 49 1HA GLY 49 -11.819 -5.989 -9.637 287 HA3 GLY 49 2HA GLY 49 -10.806 -4.524 -9.676 288 H ASP 50 H ASP 50 -9.201 -6.409 -10.126 289 HA ASP 50 HA ASP 50 -7.906 -7.224 -7.589 290 HB3 ASP 50 2HB ASP 50 -8.544 -9.042 -9.224 291 H SER 51 H SER 51 -7.964 -4.717 -9.659 292 HA SER 51 HA SER 51 -5.214 -3.878 -9.471 293 HB3 SER 51 2HB SER 51 -4.883 -5.611 -11.045 294 HG SER 51 HG SER 51 -6.928 -6.028 -11.931 295 H TYR 52 H TYR 52 -5.587 -1.638 -9.261 296 HA TYR 52 HA TYR 52 -6.824 -0.196 -11.401 297 HB3 TYR 52 2HB TYR 52 -8.956 -0.866 -10.513 298 HD1 TYR 52 1HD TYR 52 -8.020 1.257 -7.596 299 HD2 TYR 52 2HD TYR 52 -8.992 -2.725 -8.927 300 HE1 TYR 52 1HE TYR 52 -8.590 0.688 -5.309 301 HE2 TYR 52 2HE TYR 52 -9.558 -3.345 -6.598 302 HH TYR 52 HH TYR 52 -9.363 -1.022 -3.860 303 H SER 53 H SER 53 -7.322 2.177 -10.492 304 HA SER 53 HA SER 53 -5.415 2.958 -8.379 305 HB3 SER 53 2HB SER 53 -4.369 4.184 -9.910 306 HG SER 53 HG SER 53 -5.240 3.049 -11.631 307 H ALA 54 H ALA 54 -6.084 4.905 -7.254 308 HA ALA 54 HA ALA 54 -8.786 5.808 -7.456 309 HB1 ALA 54 1HB ALA 54 -9.131 3.767 -5.999 310 HB2 ALA 54 2HB ALA 54 -7.957 4.395 -4.858 311 HB3 ALA 54 3HB ALA 54 -9.473 5.278 -5.132 312 H GLN 55 H GLN 55 -8.919 7.952 -6.268 313 HA GLN 55 HA GLN 55 -6.250 9.126 -6.010 314 HB3 GLN 55 2HB GLN 55 -8.979 10.326 -6.705 315 HG3 GLN 55 2HG GLN 55 -6.269 11.328 -7.616 316 HE21 GLN 55 1HE2 GLN 55 -6.399 12.935 -9.159 317 HE22 GLN 55 2HE2 GLN 55 -7.865 13.765 -9.615 318 H ILE 56 H ILE 56 -5.738 10.663 -4.177 319 HA ILE 56 HA ILE 56 -7.683 10.084 -1.980 320 HB ILE 56 HB ILE 56 -4.941 11.335 -1.777 321 HG13 ILE 56 2HG1 ILE 56 -4.143 9.205 -1.200 322 HG21 ILE 56 1HG2 ILE 56 -5.157 10.662 0.633 323 HG22 ILE 56 2HG2 ILE 56 -6.249 11.947 0.160 324 HG23 ILE 56 3HG2 ILE 56 -6.875 10.314 0.340 325 HD11 ILE 56 3HD1 ILE 56 -6.175 8.183 -0.054 326 HD12 ILE 56 1HD1 ILE 56 -6.956 8.042 -1.638 327 HD13 ILE 56 2HD1 ILE 56 -5.482 7.143 -1.292 328 H ARG 57 H ARG 57 -9.405 11.305 -2.617 329 HA ARG 57 HA ARG 57 -9.096 14.264 -2.174 330 HB3 ARG 57 2HB ARG 57 -11.281 14.381 -3.335 331 HG3 ARG 57 2HG ARG 57 -10.526 13.944 -5.632 332 HD3 ARG 57 2HD ARG 57 -7.789 14.024 -5.382 333 HE ARG 57 HE ARG 57 -8.193 15.947 -6.380 334 HH11 ARG 57 1HH1 ARG 57 -10.396 15.948 -3.542 335 HH12 ARG 57 2HH1 ARG 57 -10.953 17.568 -3.893 336 HH21 ARG 57 1HH2 ARG 57 -8.963 18.097 -6.694 337 HH22 ARG 57 2HH2 ARG 57 -10.136 18.757 -5.570 338 H THR 58 H THR 58 -9.358 11.964 -0.230 339 HA THR 58 HA THR 58 -11.733 12.958 1.186 340 HB THR 58 HB THR 58 -11.410 10.592 2.324 341 HG1 THR 58 1HG THR 58 -9.357 10.079 1.529 342 HG21 THR 58 3HG2 THR 58 -13.193 11.181 0.671 343 HG22 THR 58 1HG2 THR 58 -12.651 9.500 0.565 344 HG23 THR 58 2HG2 THR 58 -12.101 10.683 -0.639 345 H ALA 59 H ALA 59 -11.411 12.983 3.654 346 HA ALA 59 HA ALA 59 -8.753 13.903 4.457 347 HB1 ALA 59 1HB ALA 59 -10.771 14.731 5.596 348 HB2 ALA 59 2HB ALA 59 -11.169 13.083 6.133 349 HB3 ALA 59 3HB ALA 59 -9.702 13.883 6.725 350 H THR 60 H THR 60 -10.777 10.938 4.938 351 HA THR 60 HA THR 60 -8.319 9.422 5.643 352 HB THR 60 HB THR 60 -9.602 8.502 7.598 353 HG1 THR 60 1HG THR 60 -11.673 9.442 6.801 354 HG21 THR 60 3HG2 THR 60 -9.152 11.484 7.829 355 HG22 THR 60 1HG2 THR 60 -7.852 10.311 7.607 356 HG23 THR 60 2HG2 THR 60 -8.896 10.209 9.046 357 H MET 61 H MET 61 -8.176 7.805 4.425 358 HA MET 61 HA MET 61 -10.560 6.413 3.251 359 HB3 MET 61 2HB MET 61 -8.200 5.790 1.734 360 HG3 MET 61 2HG MET 61 -9.305 7.321 0.051 361 HE1 MET 61 3HE MET 61 -9.181 5.355 -1.450 362 HE2 MET 61 1HE MET 61 -8.589 4.462 -0.035 363 HE3 MET 61 2HE MET 61 -9.854 3.752 -1.068 364 H SER 62 H SER 62 -9.995 4.193 2.512 365 HA SER 62 HA SER 62 -7.782 2.863 3.652 366 HB3 SER 62 2HB SER 62 -9.254 2.701 5.641 367 HG SER 62 HG SER 62 -11.285 2.654 4.774 368 H CYS 63 H CYS 63 -7.692 0.540 2.894 369 HA CYS 63 HA CYS 63 -9.634 -0.294 0.889 370 HB3 CYS 63 2HB CYS 63 -8.058 -0.796 -0.852 371 HG CYS 63 HG CYS 63 -8.826 1.945 -0.130 372 H CYS 64 H CYS 64 -9.391 -2.731 0.619 373 HA CYS 64 HA CYS 64 -7.212 -3.971 2.034 374 HB3 CYS 64 2HB CYS 64 -8.921 -3.677 3.866 375 HG CYS 64 HG CYS 64 -10.433 -6.232 2.430 376 H THR 65 H THR 65 -8.041 -6.578 1.936 377 HA THR 65 HA THR 65 -9.018 -7.096 -0.789 378 HB THR 65 HB THR 65 -6.664 -7.378 -1.052 379 HG1 THR 65 1HG THR 65 -6.471 -9.674 -1.235 380 HG21 THR 65 3HG2 THR 65 -5.292 -8.771 0.462 381 HG22 THR 65 1HG2 THR 65 -6.669 -8.828 1.600 382 HG23 THR 65 2HG2 THR 65 -5.885 -7.275 1.158 383 H ASN 66 H ASN 66 -9.308 -9.664 -0.657 384 HA ASN 66 HA ASN 66 -11.248 -10.254 1.508 385 HB3 ASN 66 2HB ASN 66 -11.949 -10.950 -0.737 386 HD21 ASN 66 1HD2 ASN 66 -9.910 -10.517 -2.340 387 HD22 ASN 66 2HD2 ASN 66 -9.164 -12.015 -2.817 388 H GLY 67 H GLY 67 -10.763 -12.866 2.054 389 HA2 GLY 67 1HA GLY 67 -8.438 -12.667 3.793 390 HA3 GLY 67 2HA GLY 67 -9.607 -13.989 3.697 391 H ASN 68 H ASN 68 -7.903 -12.856 0.787 392 HA ASN 68 HA ASN 68 -6.159 -15.239 0.822 393 HB3 ASN 68 2HB ASN 68 -7.706 -14.616 -1.682 394 HD21 ASN 68 1HD2 ASN 68 -6.692 -15.962 -3.163 395 HD22 ASN 68 2HD2 ASN 68 -6.067 -17.568 -2.782 396 H ALA 69 H ALA 69 -4.351 -13.858 1.118 397 HA ALA 69 HA ALA 69 -3.306 -12.708 -1.275 398 HB1 ALA 69 1HB ALA 69 -2.930 -10.412 -0.304 399 HB2 ALA 69 2HB ALA 69 -4.618 -10.745 -0.708 400 HB3 ALA 69 3HB ALA 69 -4.086 -10.829 0.985 401 H PHE 70 H PHE 70 -1.121 -12.158 -1.032 402 HA PHE 70 HA PHE 70 0.236 -12.992 1.509 403 HB3 PHE 70 2HB PHE 70 2.274 -13.115 -0.128 404 HD1 PHE 70 2HD PHE 70 2.130 -14.799 1.797 405 HD2 PHE 70 1HD PHE 70 0.034 -15.229 -1.944 406 HE1 PHE 70 2HE PHE 70 1.790 -17.182 2.292 407 HE2 PHE 70 1HE PHE 70 -0.244 -17.704 -1.451 408 HZ PHE 70 HZ PHE 70 0.652 -18.647 0.653 409 H PHE 71 H PHE 71 -0.213 -10.435 -0.878 410 HA PHE 71 HA PHE 71 0.992 -8.552 0.913 411 HB3 PHE 71 2HB PHE 71 2.929 -9.435 -0.641 412 HD1 PHE 71 2HD PHE 71 1.861 -10.367 -2.845 413 HD2 PHE 71 1HD PHE 71 2.574 -6.185 -2.081 414 HE1 PHE 71 2HE PHE 71 1.798 -9.876 -5.294 415 HE2 PHE 71 1HE PHE 71 2.477 -5.717 -4.519 416 HZ PHE 71 HZ PHE 71 2.086 -7.572 -6.124 417 H MET 72 H MET 72 0.722 -6.370 -0.069 418 HA MET 72 HA MET 72 -1.213 -5.989 -2.170 419 HB3 MET 72 2HB MET 72 -1.549 -4.941 0.664 420 HG3 MET 72 2HG MET 72 -3.751 -5.161 -1.386 421 HE1 MET 72 3HE MET 72 -5.151 -2.603 -1.064 422 HE2 MET 72 1HE MET 72 -6.119 -4.060 -0.687 423 HE3 MET 72 2HE MET 72 -6.143 -2.656 0.415 424 H THR 73 H THR 73 -0.752 -3.682 -2.936 425 HA THR 73 HA THR 73 1.285 -2.275 -1.382 426 HB THR 73 HB THR 73 2.533 -3.713 -2.989 427 HG1 THR 73 1HG THR 73 3.963 -2.103 -3.437 428 HG21 THR 73 3HG2 THR 73 2.657 -3.108 -5.352 429 HG22 THR 73 1HG2 THR 73 1.406 -1.869 -5.132 430 HG23 THR 73 2HG2 THR 73 0.997 -3.588 -4.942 431 H CYS 74 H CYS 74 1.403 -0.083 -1.655 432 HA CYS 74 HA CYS 74 -0.861 1.146 -3.136 433 HB3 CYS 74 2HB CYS 74 0.190 2.371 -0.647 434 HG CYS 74 HG CYS 74 -2.102 3.124 -0.034 435 H ALA 75 H ALA 75 0.941 1.092 -4.749 436 HA ALA 75 HA ALA 75 3.143 3.038 -4.475 437 HB1 ALA 75 1HB ALA 75 3.335 1.058 -5.972 438 HB2 ALA 75 2HB ALA 75 1.939 1.646 -6.904 439 HB3 ALA 75 3HB ALA 75 3.445 2.587 -6.852 440 H GLY 76 H GLY 76 2.922 5.307 -5.223 441 HA2 GLY 76 1HA GLY 76 0.587 6.067 -6.717 442 HA3 GLY 76 2HA GLY 76 0.419 6.465 -4.994 443 H SER 77 H SER 77 0.269 8.573 -6.466 444 HA SER 77 HA SER 77 2.848 9.935 -6.234 445 HB3 SER 77 2HB SER 77 2.691 9.017 -8.479 446 HG SER 77 HG SER 77 1.132 9.621 -9.887 447 H VAL 78 H VAL 78 2.644 12.227 -6.256 448 HA VAL 78 HA VAL 78 -0.068 13.322 -5.731 449 HB VAL 78 HB VAL 78 2.395 13.825 -3.987 450 HG11 VAL 78 1HG1 VAL 78 0.772 15.136 -2.598 451 HG12 VAL 78 2HG1 VAL 78 1.049 15.830 -4.192 452 HG13 VAL 78 3HG1 VAL 78 -0.451 14.921 -3.868 453 HG21 VAL 78 3HG2 VAL 78 -0.179 12.307 -3.457 454 HG22 VAL 78 1HG2 VAL 78 1.487 11.674 -3.405 455 HG23 VAL 78 2HG2 VAL 78 0.941 12.819 -2.187 456 H SER 79 H SER 79 -0.379 15.261 -6.852 457 HA SER 79 HA SER 79 2.045 16.742 -7.646 458 HB3 SER 79 2HB SER 79 1.406 16.918 -9.934 459 HG SER 79 HG SER 79 2.132 14.658 -8.983 460 H SER 80 H SER 80 1.393 19.012 -8.461 461 HA SER 80 HA SER 80 -1.366 19.842 -7.784 462 HB3 SER 80 2HB SER 80 -0.718 21.686 -6.471 463 HG SER 80 HG SER 80 -0.317 20.038 -5.083 464 H ILE 81 H ILE 81 -1.831 21.968 -8.765 465 HA ILE 81 HA ILE 81 0.095 23.196 -10.629 466 HB ILE 81 HB ILE 81 -1.887 23.579 -12.198 467 HG13 ILE 81 2HG1 ILE 81 -3.614 22.788 -10.494 468 HG21 ILE 81 1HG2 ILE 81 -0.944 20.704 -12.005 469 HG22 ILE 81 2HG2 ILE 81 -1.463 21.562 -13.452 470 HG23 ILE 81 3HG2 ILE 81 0.037 22.038 -12.637 471 HD11 ILE 81 3HD1 ILE 81 -3.708 21.420 -13.200 472 HD12 ILE 81 1HD1 ILE 81 -5.057 21.636 -12.086 473 HD13 ILE 81 2HD1 ILE 81 -4.277 23.061 -12.803 474 H SER 82 H SER 82 -1.752 23.553 -7.923 475 HA SER 82 HA SER 82 -2.911 26.177 -8.356 476 HB3 SER 82 2HB SER 82 -3.214 26.082 -5.901 477 HG SER 82 HG SER 82 -3.808 23.610 -7.204 478 H GLU 83 H GLU 83 -2.187 27.838 -6.611 479 HA GLU 83 HA GLU 83 0.409 28.654 -7.277 480 HB3 GLU 83 2HB GLU 83 -0.095 30.515 -5.613 481 HG3 GLU 83 2HG GLU 83 -1.900 29.685 -7.838 482 H ALA 84 H ALA 84 1.892 29.515 -5.493 483 HA ALA 84 HA ALA 84 3.137 27.405 -4.115 484 HB1 ALA 84 1HB ALA 84 3.417 30.424 -3.811 485 HB2 ALA 84 2HB ALA 84 4.586 29.229 -3.220 486 HB3 ALA 84 3HB ALA 84 4.301 29.404 -4.964 487 H GLY 85 H GLY 85 3.584 27.148 -1.867 488 HA2 GLY 85 1HA GLY 85 3.258 27.234 0.399 489 HA3 GLY 85 2HA GLY 85 2.233 28.656 0.195 490 H LYS 86 H LYS 86 0.988 26.255 -1.787 491 HA LYS 86 HA LYS 86 -1.204 25.568 0.049 492 HB3 LYS 86 2HB LYS 86 -2.083 24.300 -1.863 493 HG3 LYS 86 2HG LYS 86 -2.051 26.025 -3.758 494 HD3 LYS 86 2HD LYS 86 -2.791 28.034 -2.202 495 HE3 LYS 86 2HE LYS 86 -4.961 26.688 -1.608 496 HZ1 LYS 86 3HZ LYS 86 -4.645 28.236 -3.496 497 HZ2 LYS 86 1HZ LYS 86 -5.786 27.100 -3.721 498 HZ3 LYS 86 2HZ LYS 86 -4.333 26.980 -4.478 499 H ARG 87 H ARG 87 -1.228 23.628 1.191 500 HA ARG 87 HA ARG 87 1.380 22.112 1.202 501 HB3 ARG 87 2HB ARG 87 0.852 21.716 3.614 502 HG3 ARG 87 2HG ARG 87 0.823 24.709 3.114 503 HD3 ARG 87 2HD ARG 87 2.140 24.796 5.160 504 HE ARG 87 HE ARG 87 -0.496 23.691 5.200 505 HH11 ARG 87 1HH1 ARG 87 2.244 24.251 7.458 506 HH12 ARG 87 2HH1 ARG 87 1.187 24.356 8.820 507 HH21 ARG 87 1HH2 ARG 87 -1.766 23.664 7.033 508 HH22 ARG 87 2HH2 ARG 87 -1.131 24.083 8.591 509 H LEU 88 H LEU 88 1.195 19.797 1.931 510 HA LEU 88 HA LEU 88 -1.385 18.602 2.056 511 HB3 LEU 88 2HB LEU 88 0.236 17.629 -0.306 512 HG LEU 88 HG LEU 88 -1.975 17.230 -1.316 513 HD11 LEU 88 1HD1 LEU 88 -1.770 15.799 1.318 514 HD12 LEU 88 2HD1 LEU 88 -0.825 15.439 -0.150 515 HD13 LEU 88 3HD1 LEU 88 -2.583 15.258 -0.171 516 HD21 LEU 88 3HD2 LEU 88 -3.268 17.802 1.364 517 HD22 LEU 88 1HD2 LEU 88 -4.034 17.423 -0.188 518 HD23 LEU 88 2HD2 LEU 88 -3.221 18.978 0.020 519 H HIS 89 H HIS 89 -0.969 17.103 3.534 520 HA HIS 89 HA HIS 89 1.652 15.666 3.464 521 HB3 HIS 89 2HB HIS 89 -0.181 16.304 5.798 522 HD1 HIS 89 1HD HIS 89 3.267 15.735 6.966 523 HD2 HIS 89 2HD HIS 89 -0.124 13.382 6.051 524 HE1 HIS 89 1HE HIS 89 3.514 13.568 8.235 525 H ILE 90 H ILE 90 1.510 13.443 3.257 526 HA ILE 90 HA ILE 90 -1.204 12.226 3.202 527 HB ILE 90 HB ILE 90 1.069 11.722 1.300 528 HG13 ILE 90 2HG1 ILE 90 -0.376 12.271 -0.421 529 HG21 ILE 90 1HG2 ILE 90 -1.273 9.870 1.830 530 HG22 ILE 90 2HG2 ILE 90 -0.246 9.793 0.375 531 HG23 ILE 90 3HG2 ILE 90 0.445 9.509 1.974 532 HD11 ILE 90 3HD1 ILE 90 -2.354 11.015 -0.121 533 HD12 ILE 90 1HD1 ILE 90 -2.713 11.799 1.424 534 HD13 ILE 90 2HD1 ILE 90 -2.859 12.714 -0.097 535 H THR 91 H THR 91 -1.386 10.830 4.669 536 HA THR 91 HA THR 91 0.947 9.599 6.062 537 HB THR 91 HB THR 91 -1.981 9.506 6.840 538 HG1 THR 91 1HG THR 91 -0.089 11.518 7.541 539 HG21 THR 91 3HG2 THR 91 -1.218 9.071 9.052 540 HG22 THR 91 1HG2 THR 91 0.452 9.484 8.642 541 HG23 THR 91 2HG2 THR 91 -0.278 8.003 7.985 542 H VAL 92 H VAL 92 1.318 7.401 5.594 543 HA VAL 92 HA VAL 92 -0.780 5.852 4.225 544 HB VAL 92 HB VAL 92 1.419 5.082 2.813 545 HG11 VAL 92 1HG1 VAL 92 -0.797 5.600 1.920 546 HG12 VAL 92 2HG1 VAL 92 -0.501 7.340 2.122 547 HG13 VAL 92 3HG1 VAL 92 0.449 6.397 0.952 548 HG21 VAL 92 3HG2 VAL 92 2.853 6.949 3.624 549 HG22 VAL 92 1HG2 VAL 92 2.641 6.935 1.877 550 HG23 VAL 92 2HG2 VAL 92 1.772 8.103 2.900 551 H ILE 93 H ILE 93 -1.217 4.250 5.599 552 HA ILE 93 HA ILE 93 1.039 2.799 6.898 553 HB ILE 93 HB ILE 93 -1.713 3.386 8.030 554 HG13 ILE 93 2HG1 ILE 93 0.535 5.158 8.046 555 HG21 ILE 93 1HG2 ILE 93 0.623 2.015 9.460 556 HG22 ILE 93 2HG2 ILE 93 -0.913 2.487 10.184 557 HG23 ILE 93 3HG2 ILE 93 -0.888 1.257 8.944 558 HD11 ILE 93 3HD1 ILE 93 -1.957 5.053 9.802 559 HD12 ILE 93 1HD1 ILE 93 -0.885 6.456 9.611 560 HD13 ILE 93 2HD1 ILE 93 -1.806 5.849 8.216 561 H GLY 94 H GLY 94 0.628 0.531 7.201 562 HA2 GLY 94 1HA GLY 94 -1.710 -0.635 5.796 563 HA3 GLY 94 2HA GLY 94 -0.069 -1.140 5.324 564 H TYR 95 H TYR 95 -2.187 -2.793 6.387 565 HA TYR 95 HA TYR 95 -1.005 -3.740 8.939 566 HB3 TYR 95 2HB TYR 95 -3.347 -4.221 9.724 567 HD1 TYR 95 2HD TYR 95 -3.594 -0.938 7.991 568 HD2 TYR 95 1HD TYR 95 -2.878 -3.025 11.687 569 HE1 TYR 95 2HE TYR 95 -3.558 1.246 9.223 570 HE2 TYR 95 1HE TYR 95 -2.877 -0.898 12.923 571 HH TYR 95 HH TYR 95 -3.402 1.428 12.738 572 H ILE 96 H ILE 96 -1.371 -5.932 9.414 573 HA ILE 96 HA ILE 96 -2.775 -7.526 7.299 574 HB ILE 96 HB ILE 96 -0.144 -8.364 8.576 575 HG13 ILE 96 2HG1 ILE 96 0.215 -6.595 6.871 576 HG21 ILE 96 1HG2 ILE 96 -0.289 -10.319 7.160 577 HG22 ILE 96 2HG2 ILE 96 -1.790 -10.210 8.029 578 HG23 ILE 96 3HG2 ILE 96 -1.745 -9.696 6.331 579 HD11 ILE 96 3HD1 ILE 96 1.711 -7.730 5.364 580 HD12 ILE 96 1HD1 ILE 96 1.903 -8.409 6.990 581 HD13 ILE 96 2HD1 ILE 96 1.014 -9.300 5.730 582 H ASP 97 H ASP 97 -4.493 -7.147 8.805 583 HA ASP 97 HA ASP 97 -6.015 -7.732 10.182 584 HB3 ASP 97 2HB ASP 97 -5.953 -9.425 8.467 585 H ASP 98 H ASP 98 -3.224 -7.754 11.528 586 HA ASP 98 HA ASP 98 -4.181 -8.419 14.235 587 HB3 ASP 98 2HB ASP 98 -1.485 -9.191 14.187 588 H LYS 99 H LYS 99 -1.757 -6.856 12.127 589 HA LYS 99 HA LYS 99 -1.110 -4.856 14.188 590 HB3 LYS 99 2HB LYS 99 1.331 -5.532 13.128 591 HG3 LYS 99 2HG LYS 99 1.708 -6.972 15.136 592 HD3 LYS 99 2HD LYS 99 0.430 -5.266 16.881 593 HE3 LYS 99 2HE LYS 99 2.461 -3.690 16.450 594 HZ1 LYS 99 3HZ LYS 99 2.614 -6.472 17.386 595 HZ2 LYS 99 1HZ LYS 99 2.762 -5.079 18.245 596 HZ3 LYS 99 2HZ LYS 99 3.992 -5.559 17.300 597 H GLU 100 H GLU 100 0.181 -3.056 13.300 598 HA GLU 100 HA GLU 100 -0.303 -2.621 10.426 599 HB3 GLU 100 2HB GLU 100 -0.460 -0.798 12.336 600 HG3 GLU 100 2HG GLU 100 2.110 0.166 11.226 601 H VAL 101 H VAL 101 1.504 -2.633 9.021 602 HA VAL 101 HA VAL 101 4.036 -3.792 10.129 603 HB VAL 101 HB VAL 101 4.155 -5.333 8.302 604 HG11 VAL 101 1HG1 VAL 101 2.967 -6.090 10.356 605 HG12 VAL 101 2HG1 VAL 101 1.416 -5.659 9.610 606 HG13 VAL 101 3HG1 VAL 101 2.434 -6.931 8.905 607 HG21 VAL 101 3HG2 VAL 101 2.382 -5.730 6.725 608 HG22 VAL 101 1HG2 VAL 101 1.406 -4.396 7.395 609 HG23 VAL 101 2HG2 VAL 101 2.960 -4.077 6.573 610 H ASN 102 H ASN 102 2.694 -1.164 8.542 611 HA ASN 102 HA ASN 102 5.329 -0.319 7.689 612 HB3 ASN 102 2HB ASN 102 3.118 -0.320 5.586 613 HD21 ASN 102 1HD2 ASN 102 4.569 -0.838 3.446 614 HD22 ASN 102 2HD2 ASN 102 5.937 0.241 3.244 615 H ARG 103 H ARG 103 5.398 1.955 7.760 616 HA ARG 103 HA ARG 103 3.085 3.512 7.257 617 HB3 ARG 103 2HB ARG 103 2.522 3.298 9.590 618 HG3 ARG 103 2HG ARG 103 5.369 4.076 10.365 619 HD3 ARG 103 2HD ARG 103 4.201 3.301 12.656 620 HE ARG 103 HE ARG 103 5.140 5.338 12.908 621 HH11 ARG 103 1HH1 ARG 103 2.006 5.814 11.272 622 HH12 ARG 103 2HH1 ARG 103 2.206 7.556 11.214 623 HH21 ARG 103 1HH2 ARG 103 5.297 7.626 12.873 624 HH22 ARG 103 2HH2 ARG 103 3.998 8.579 12.218 625 H LEU 104 H LEU 104 3.692 5.163 6.112 626 HA LEU 104 HA LEU 104 6.147 6.517 6.903 627 HB3 LEU 104 2HB LEU 104 6.799 5.093 4.997 628 HG LEU 104 HG LEU 104 4.463 5.643 3.759 629 HD11 LEU 104 1HD1 LEU 104 6.511 7.599 2.564 630 HD12 LEU 104 2HD1 LEU 104 5.004 8.065 3.369 631 HD13 LEU 104 3HD1 LEU 104 4.950 7.200 1.826 632 HD21 LEU 104 3HD2 LEU 104 7.074 5.141 2.298 633 HD22 LEU 104 1HD2 LEU 104 5.441 4.806 1.682 634 HD23 LEU 104 2HD2 LEU 104 6.056 3.911 3.076 635 H GLU 105 H GLU 105 6.127 8.777 6.119 636 HA GLU 105 HA GLU 105 3.380 9.875 5.832 637 HB3 GLU 105 2HB GLU 105 3.771 11.271 7.862 638 HG3 GLU 105 2HG GLU 105 4.087 8.324 8.566 639 H LYS 106 H LYS 106 3.508 11.601 4.379 640 HA LYS 106 HA LYS 106 6.194 12.823 3.929 641 HB3 LYS 106 2HB LYS 106 4.360 12.134 1.610 642 HG3 LYS 106 2HG LYS 106 7.368 12.604 1.941 643 HD3 LYS 106 2HD LYS 106 7.459 12.437 -0.512 644 HE3 LYS 106 2HE LYS 106 6.432 9.730 0.448 645 HZ1 LYS 106 3HZ LYS 106 8.560 9.163 -0.795 646 HZ2 LYS 106 1HZ LYS 106 8.758 10.739 -1.132 647 HZ3 LYS 106 2HZ LYS 106 7.499 9.958 -1.811 648 H GLU 107 H GLU 107 6.037 14.940 2.743 649 HA GLU 107 HA GLU 107 3.484 16.267 2.882 650 HB3 GLU 107 2HB GLU 107 4.644 16.671 4.953 651 HG3 GLU 107 2HG GLU 107 6.978 17.911 3.421 652 H TYR 108 H TYR 108 3.404 18.120 1.554 653 HA TYR 108 HA TYR 108 5.319 18.350 -0.680 654 HB3 TYR 108 2HB TYR 108 3.433 17.875 -2.182 655 HD1 TYR 108 1HD TYR 108 5.328 16.001 -2.056 656 HD2 TYR 108 2HD TYR 108 1.583 15.853 0.037 657 HE1 TYR 108 1HE TYR 108 5.442 13.521 -1.984 658 HE2 TYR 108 2HE TYR 108 1.714 13.399 0.136 659 HH TYR 108 HH TYR 108 3.132 11.415 -0.387 660 H ILE 109 H ILE 109 5.550 20.547 -1.137 661 HA ILE 109 HA ILE 109 3.275 22.327 -0.495 662 HB ILE 109 HB ILE 109 6.117 23.128 0.073 663 HG13 ILE 109 2HG1 ILE 109 5.729 21.237 1.578 664 HG21 ILE 109 1HG2 ILE 109 5.009 24.957 1.332 665 HG22 ILE 109 2HG2 ILE 109 4.345 24.875 -0.280 666 HG23 ILE 109 3HG2 ILE 109 3.420 24.197 1.060 667 HD11 ILE 109 3HD1 ILE 109 6.406 22.277 3.577 668 HD12 ILE 109 1HD1 ILE 109 7.015 23.312 2.271 669 HD13 ILE 109 2HD1 ILE 109 5.562 23.789 3.179 670 H THR 110 H THR 110 2.921 23.744 -2.112 671 HA THR 110 HA THR 110 4.438 23.580 -4.629 672 HB THR 110 HB THR 110 2.745 25.493 -5.172 673 HG1 THR 110 1HG THR 110 1.159 25.798 -3.835 674 HG21 THR 110 3HG2 THR 110 1.604 22.791 -4.326 675 HG22 THR 110 1HG2 THR 110 2.340 23.168 -5.897 676 HG23 THR 110 2HG2 THR 110 0.833 23.975 -5.413 677 H ASP 111 H ASP 111 5.664 25.290 -5.562 678 HA ASP 111 HA ASP 111 6.115 27.735 -3.959 679 HB3 ASP 111 2HB ASP 111 8.388 25.978 -4.915 680 H GLY 112 H GLY 112 4.711 27.141 -6.488 681 HA2 GLY 112 1HA GLY 112 4.552 28.853 -8.212 682 HA3 GLY 112 2HA GLY 112 6.305 28.750 -8.435 683 H ASN 113 H ASN 113 6.741 26.040 -8.322 684 HA ASN 113 HA ASN 113 6.228 25.426 -11.039 685 HB3 ASN 113 2HB ASN 113 7.719 23.537 -10.649 686 HD21 ASN 113 1HD2 ASN 113 9.226 24.993 -11.530 687 HD22 ASN 113 2HD2 ASN 113 10.122 26.139 -10.551 688 H THR 114 H THR 114 5.716 23.094 -11.705 689 HA THR 114 HA THR 114 3.202 22.117 -10.632 690 HB THR 114 HB THR 114 5.061 20.581 -12.459 691 HG1 THR 114 1HG THR 114 4.150 21.624 -14.209 692 HG21 THR 114 3HG2 THR 114 2.034 20.826 -12.389 693 HG22 THR 114 1HG2 THR 114 2.965 19.527 -11.620 694 HG23 THR 114 2HG2 THR 114 2.997 19.705 -13.379 695 H LEU 115 H LEU 115 3.515 21.533 -8.524 696 HA LEU 115 HA LEU 115 5.687 20.039 -7.431 697 HB3 LEU 115 2HB LEU 115 2.741 20.082 -6.648 698 HG LEU 115 HG LEU 115 5.187 18.917 -5.369 699 HD11 LEU 115 1HD1 LEU 115 3.030 20.231 -3.663 700 HD12 LEU 115 2HD1 LEU 115 4.645 20.897 -4.004 701 HD13 LEU 115 3HD1 LEU 115 4.520 19.383 -3.141 702 HD21 LEU 115 3HD2 LEU 115 3.370 17.377 -6.057 703 HD22 LEU 115 1HD2 LEU 115 2.222 18.265 -5.041 704 HD23 LEU 115 2HD2 LEU 115 3.582 17.360 -4.327 705 H ILE 116 H ILE 116 6.137 17.854 -7.443 706 HA ILE 116 HA ILE 116 4.206 15.867 -8.344 707 HB ILE 116 HB ILE 116 6.675 16.591 -9.954 708 HG13 ILE 116 2HG1 ILE 116 4.804 17.830 -10.621 709 HG21 ILE 116 1HG2 ILE 116 4.958 14.175 -10.508 710 HG22 ILE 116 2HG2 ILE 116 6.462 14.631 -11.303 711 HG23 ILE 116 3HG2 ILE 116 6.503 14.044 -9.643 712 HD11 ILE 116 3HD1 ILE 116 4.352 17.330 -12.848 713 HD12 ILE 116 1HD1 ILE 116 5.965 16.668 -12.533 714 HD13 ILE 116 2HD1 ILE 116 4.560 15.583 -12.599 715 H GLU 117 H GLU 117 4.588 14.100 -7.288 716 HA GLU 117 HA GLU 117 7.234 13.245 -6.264 717 HB3 GLU 117 2HB GLU 117 5.442 12.996 -4.041 718 HG3 GLU 117 2HG GLU 117 7.062 14.981 -3.228 719 H THR 118 H THR 118 6.968 11.074 -4.937 720 HA THR 118 HA THR 118 4.657 9.520 -5.647 721 HB THR 118 HB THR 118 5.833 7.672 -6.684 722 HG1 THR 118 1HG THR 118 8.004 9.494 -6.765 723 HG21 THR 118 3HG2 THR 118 6.091 8.491 -8.930 724 HG22 THR 118 1HG2 THR 118 6.294 10.160 -8.355 725 HG23 THR 118 2HG2 THR 118 4.745 9.331 -8.163 726 H PHE 119 H PHE 119 4.400 7.647 -4.449 727 HA PHE 119 HA PHE 119 6.379 7.066 -2.298 728 HB3 PHE 119 2HB PHE 119 4.735 8.477 -1.197 729 HD1 PHE 119 2HD PHE 119 2.988 9.548 -2.651 730 HD2 PHE 119 1HD PHE 119 2.545 5.512 -1.164 731 HE1 PHE 119 2HE PHE 119 0.555 9.627 -3.140 732 HE2 PHE 119 1HE PHE 119 0.130 5.613 -1.621 733 HZ PHE 119 HZ PHE 119 -0.893 7.676 -2.537 734 H SER 120 H SER 120 5.683 4.922 -1.157 735 HA SER 120 HA SER 120 4.004 3.127 -2.642 736 HB3 SER 120 2HB SER 120 5.965 2.788 -4.018 737 HG SER 120 HG SER 120 7.933 2.057 -2.847 738 H VAL 121 H VAL 121 2.863 2.199 -1.113 739 HA VAL 121 HA VAL 121 4.344 1.325 1.308 740 HB VAL 121 HB VAL 121 3.083 3.289 1.764 741 HG11 VAL 121 1HG1 VAL 121 0.602 1.805 1.287 742 HG12 VAL 121 2HG1 VAL 121 0.687 3.170 2.369 743 HG13 VAL 121 3HG1 VAL 121 1.159 3.458 0.695 744 HG21 VAL 121 3HG2 VAL 121 2.093 0.798 3.145 745 HG22 VAL 121 1HG2 VAL 121 3.609 1.704 3.512 746 HG23 VAL 121 2HG2 VAL 121 2.049 2.432 3.857 747 H SER 122 H SER 122 4.839 -0.577 0.463 748 HA SER 122 HA SER 122 2.866 -2.590 -0.246 749 HB3 SER 122 2HB SER 122 4.918 -2.949 -1.277 750 HG SER 122 HG SER 122 6.711 -2.156 -0.616 751 H THR 123 H THR 123 2.822 -4.632 1.198 752 HA THR 123 HA THR 123 3.593 -3.969 3.997 753 HB THR 123 HB THR 123 1.571 -5.469 4.650 754 HG1 THR 123 1HG THR 123 -0.081 -4.757 2.818 755 HG21 THR 123 3HG2 THR 123 0.133 -3.608 4.810 756 HG22 THR 123 1HG2 THR 123 0.892 -2.794 3.412 757 HG23 THR 123 2HG2 THR 123 1.774 -2.967 4.940 758 H LYS 124 H LYS 124 4.762 -5.715 1.589 759 HA LYS 124 HA LYS 124 5.736 -7.761 3.386 760 HB3 LYS 124 2HB LYS 124 5.005 -8.903 0.735 761 HG3 LYS 124 2HG LYS 124 5.817 -10.224 2.753 762 HD3 LYS 124 2HD LYS 124 3.009 -9.457 3.668 763 HE3 LYS 124 2HE LYS 124 4.807 -11.708 4.616 764 HZ1 LYS 124 3HZ LYS 124 3.888 -10.452 6.471 765 HZ2 LYS 124 1HZ LYS 124 3.323 -11.992 6.391 766 HZ3 LYS 124 2HZ LYS 124 2.346 -10.776 5.954 767 H GLU 125 H GLU 125 7.942 -7.767 3.001 768 HA GLU 125 HA GLU 125 8.924 -7.363 0.293 769 HB3 GLU 125 2HB GLU 125 10.688 -5.760 1.185 770 HG3 GLU 125 2HG GLU 125 7.973 -4.457 1.474 771 H ILE 126 H ILE 126 11.057 -8.073 0.098 772 HA ILE 126 HA ILE 126 12.336 -9.820 -0.051 773 HB ILE 126 HB ILE 126 12.959 -9.594 2.886 774 HG13 ILE 126 2HG1 ILE 126 13.052 -7.311 1.912 775 HG21 ILE 126 1HG2 ILE 126 13.908 -11.524 1.647 776 HG22 ILE 126 2HG2 ILE 126 14.571 -10.424 0.421 777 HG23 ILE 126 3HG2 ILE 126 15.203 -10.399 2.070 778 HD11 ILE 126 3HD1 ILE 126 15.249 -6.679 2.538 779 HD12 ILE 126 1HD1 ILE 126 14.768 -7.998 3.625 780 HD13 ILE 126 2HD1 ILE 126 15.895 -8.299 2.274 Start of MODEL 15 1 H1 GLY 1 H GLY 1 15.658 -19.956 8.040 2 HA2 GLY 1 1HA GLY 1 16.288 -21.019 10.222 3 HA3 GLY 1 2HA GLY 1 17.480 -19.719 10.360 4 H ALA 2 H ALA 2 16.614 -17.446 10.322 5 HA ALA 2 HA ALA 2 13.990 -17.148 11.652 6 HB1 ALA 2 1HB ALA 2 16.164 -15.159 10.840 7 HB2 ALA 2 2HB ALA 2 14.626 -14.715 11.600 8 HB3 ALA 2 3HB ALA 2 15.772 -15.727 12.490 9 H SER 3 H SER 3 12.175 -16.937 10.399 10 HA SER 3 HA SER 3 12.210 -15.158 8.110 11 HB3 SER 3 2HB SER 3 10.820 -16.748 6.737 12 HG SER 3 HG SER 3 13.107 -16.561 6.444 13 H ASP 4 H ASP 4 9.661 -14.860 7.515 14 HA ASP 4 HA ASP 4 8.036 -15.169 9.986 15 HB3 ASP 4 2HB ASP 4 8.085 -12.639 8.315 16 H PHE 5 H PHE 5 5.805 -15.304 9.519 17 HA PHE 5 HA PHE 5 4.976 -15.689 6.741 18 HB3 PHE 5 2HB PHE 5 4.088 -17.873 7.166 19 HD1 PHE 5 2HD PHE 5 5.833 -17.331 5.168 20 HD2 PHE 5 1HD PHE 5 6.939 -18.975 8.995 21 HE1 PHE 5 2HE PHE 5 7.958 -18.142 4.198 22 HE2 PHE 5 1HE PHE 5 9.075 -19.783 8.015 23 HZ PHE 5 HZ PHE 5 9.584 -19.385 5.614 24 H GLN 6 H GLN 6 3.867 -13.902 7.112 25 HA GLN 6 HA GLN 6 1.577 -13.864 9.053 26 HB3 GLN 6 2HB GLN 6 1.990 -11.279 8.604 27 HG3 GLN 6 2HG GLN 6 3.945 -11.561 10.505 28 HE21 GLN 6 1HE2 GLN 6 3.124 -9.990 11.841 29 HE22 GLN 6 2HE2 GLN 6 1.404 -9.640 11.934 30 H THR 7 H THR 7 -0.126 -14.399 7.782 31 HA THR 7 HA THR 7 -0.679 -12.811 5.336 32 HB THR 7 HB THR 7 -1.403 -14.906 4.183 33 HG1 THR 7 1HG THR 7 0.165 -16.368 6.025 34 HG21 THR 7 3HG2 THR 7 0.830 -15.748 3.575 35 HG22 THR 7 1HG2 THR 7 1.542 -14.777 4.877 36 HG23 THR 7 2HG2 THR 7 0.704 -13.971 3.538 37 H GLY 8 H GLY 8 -3.023 -13.464 4.526 38 HA2 GLY 8 1HA GLY 8 -5.164 -14.365 5.448 39 HA3 GLY 8 2HA GLY 8 -4.839 -13.365 6.871 40 H ILE 9 H ILE 9 -5.499 -11.221 6.724 41 HA ILE 9 HA ILE 9 -6.348 -10.185 4.048 42 HB ILE 9 HB ILE 9 -7.654 -9.770 6.768 43 HG13 ILE 9 2HG1 ILE 9 -8.115 -11.953 5.490 44 HG21 ILE 9 1HG2 ILE 9 -9.317 -8.394 5.378 45 HG22 ILE 9 2HG2 ILE 9 -7.745 -7.652 5.587 46 HG23 ILE 9 3HG2 ILE 9 -8.139 -8.452 4.055 47 HD11 ILE 9 3HD1 ILE 9 -9.798 -11.055 7.070 48 HD12 ILE 9 1HD1 ILE 9 -10.573 -10.183 5.715 49 HD13 ILE 9 2HD1 ILE 9 -10.487 -11.951 5.700 50 H HIS 10 H HIS 10 -5.435 -8.298 3.457 51 HA HIS 10 HA HIS 10 -3.741 -6.836 5.426 52 HB3 HIS 10 2HB HIS 10 -2.811 -5.731 3.408 53 HD1 HIS 10 1HD HIS 10 -0.385 -6.475 3.285 54 HD2 HIS 10 2HD HIS 10 -3.112 -9.684 3.275 55 HE1 HIS 10 1HE HIS 10 0.988 -8.622 3.322 56 H LYS 11 H LYS 11 -3.980 -4.521 5.396 57 HA LYS 11 HA LYS 11 -6.151 -3.349 3.823 58 HB3 LYS 11 2HB LYS 11 -6.032 -2.928 6.858 59 HG3 LYS 11 2HG LYS 11 -7.603 -1.688 4.675 60 HD3 LYS 11 2HD LYS 11 -9.195 -3.427 5.978 61 HE3 LYS 11 2HE LYS 11 -8.610 -1.722 8.109 62 HZ1 LYS 11 3HZ LYS 11 -10.031 0.005 7.151 63 HZ2 LYS 11 1HZ LYS 11 -10.771 -0.649 8.448 64 HZ3 LYS 11 2HZ LYS 11 -11.263 -1.043 6.936 65 H ILE 12 H ILE 12 -5.603 -1.017 3.324 66 HA ILE 12 HA ILE 12 -3.291 0.008 4.764 67 HB ILE 12 HB ILE 12 -3.091 -0.702 2.240 68 HG13 ILE 12 2HG1 ILE 12 -2.150 1.714 3.730 69 HG21 ILE 12 1HG2 ILE 12 -5.036 0.289 1.242 70 HG22 ILE 12 2HG2 ILE 12 -4.473 1.925 1.745 71 HG23 ILE 12 3HG2 ILE 12 -3.512 0.977 0.608 72 HD11 ILE 12 3HD1 ILE 12 0.031 0.982 2.912 73 HD12 ILE 12 1HD1 ILE 12 -0.838 -0.412 3.610 74 HD13 ILE 12 2HD1 ILE 12 -0.730 -0.225 1.841 75 H VAL 13 H VAL 13 -3.550 2.278 5.179 76 HA VAL 13 HA VAL 13 -6.251 3.433 4.872 77 HB VAL 13 HB VAL 13 -4.505 3.574 7.372 78 HG11 VAL 13 1HG1 VAL 13 -7.430 4.299 6.894 79 HG12 VAL 13 2HG1 VAL 13 -6.540 4.476 8.422 80 HG13 VAL 13 3HG1 VAL 13 -6.091 5.455 7.026 81 HG21 VAL 13 3HG2 VAL 13 -5.198 1.260 7.266 82 HG22 VAL 13 1HG2 VAL 13 -6.202 2.076 8.461 83 HG23 VAL 13 2HG2 VAL 13 -6.858 1.722 6.847 84 H ILE 14 H ILE 14 -6.050 5.533 4.045 85 HA ILE 14 HA ILE 14 -3.276 6.638 3.868 86 HB ILE 14 HB ILE 14 -5.416 6.637 1.726 87 HG13 ILE 14 2HG1 ILE 14 -3.900 4.397 2.222 88 HG21 ILE 14 1HG2 ILE 14 -3.478 7.489 0.285 89 HG22 ILE 14 2HG2 ILE 14 -4.124 8.624 1.473 90 HG23 ILE 14 3HG2 ILE 14 -2.613 7.765 1.791 91 HD11 ILE 14 3HD1 ILE 14 -4.319 3.683 0.001 92 HD12 ILE 14 1HD1 ILE 14 -5.681 4.691 0.468 93 HD13 ILE 14 2HD1 ILE 14 -4.388 5.337 -0.599 94 H GLN 15 H GLN 15 -3.290 9.041 3.817 95 HA GLN 15 HA GLN 15 -5.868 10.313 4.487 96 HB3 GLN 15 2HB GLN 15 -4.880 11.416 6.435 97 HG3 GLN 15 2HG GLN 15 -4.404 8.435 6.706 98 HE21 GLN 15 1HE2 GLN 15 -4.322 7.703 9.034 99 HE22 GLN 15 2HE2 GLN 15 -3.507 8.738 10.180 100 H GLN 16 H GLN 16 -5.601 12.736 4.582 101 HA GLN 16 HA GLN 16 -3.106 13.856 3.616 102 HB3 GLN 16 2HB GLN 16 -4.325 13.442 1.486 103 HG3 GLN 16 2HG GLN 16 -6.306 15.480 2.588 104 HE21 GLN 16 1HE2 GLN 16 -7.650 13.235 0.578 105 HE22 GLN 16 2HE2 GLN 16 -7.344 13.965 -1.006 106 H SER 17 H SER 17 -3.067 16.207 4.061 107 HA SER 17 HA SER 17 -5.368 17.533 4.908 108 HB3 SER 17 2HB SER 17 -3.251 17.852 7.023 109 HG SER 17 HG SER 17 -4.955 18.331 8.190 110 H GLY 18 H GLY 18 -4.715 19.958 5.214 111 HA2 GLY 18 1HA GLY 18 -2.830 21.559 4.881 112 HA3 GLY 18 2HA GLY 18 -2.380 20.561 3.483 113 H ASP 19 H ASP 19 -3.018 21.384 1.591 114 HA ASP 19 HA ASP 19 -5.766 22.533 1.374 115 HB3 ASP 19 2HB ASP 19 -3.552 22.519 -0.708 116 H THR 20 H THR 20 -7.194 20.999 1.001 117 HA THR 20 HA THR 20 -6.408 18.496 -0.396 118 HB THR 20 HB THR 20 -8.627 17.713 0.487 119 HG1 THR 20 1HG THR 20 -9.810 18.872 1.773 120 HG21 THR 20 3HG2 THR 20 -7.955 17.553 2.851 121 HG22 THR 20 1HG2 THR 20 -6.761 18.867 2.615 122 HG23 THR 20 2HG2 THR 20 -6.590 17.360 1.740 123 H ASP 21 H ASP 21 -7.565 21.481 -1.275 124 HA ASP 21 HA ASP 21 -9.958 20.695 -2.745 125 HB3 ASP 21 2HB ASP 21 -9.528 23.208 -3.535 126 H SER 22 H SER 22 -6.580 21.504 -3.456 127 HA SER 22 HA SER 22 -7.128 21.372 -6.369 128 HB3 SER 22 2HB SER 22 -4.708 22.733 -5.222 129 HG SER 22 HG SER 22 -5.070 23.104 -7.396 130 H PHE 23 H PHE 23 -6.251 19.086 -4.560 131 HA PHE 23 HA PHE 23 -3.571 18.470 -5.725 132 HB3 PHE 23 2HB PHE 23 -3.344 17.164 -3.507 133 HD1 PHE 23 1HD PHE 23 -4.495 20.723 -3.169 134 HD2 PHE 23 2HD PHE 23 -1.131 18.067 -3.487 135 HE1 PHE 23 1HE PHE 23 -2.970 22.652 -3.046 136 HE2 PHE 23 2HE PHE 23 0.396 19.963 -3.283 137 HZ PHE 23 HZ PHE 23 -0.495 22.292 -3.111 138 H GLU 24 H GLU 24 -3.533 16.909 -7.172 139 HA GLU 24 HA GLU 24 -5.435 14.667 -7.255 140 HB3 GLU 24 2HB GLU 24 -2.894 14.913 -8.898 141 HG3 GLU 24 2HG GLU 24 -4.489 14.452 -10.776 142 H VAL 25 H VAL 25 -4.788 12.560 -6.586 143 HA VAL 25 HA VAL 25 -2.066 11.969 -5.916 144 HB VAL 25 HB VAL 25 -4.171 11.676 -3.743 145 HG11 VAL 25 1HG1 VAL 25 -1.184 11.078 -3.720 146 HG12 VAL 25 2HG1 VAL 25 -2.270 10.915 -2.328 147 HG13 VAL 25 3HG1 VAL 25 -2.476 9.875 -3.739 148 HG21 VAL 25 3HG2 VAL 25 -3.580 14.025 -3.767 149 HG22 VAL 25 1HG2 VAL 25 -2.978 13.196 -2.332 150 HG23 VAL 25 2HG2 VAL 25 -1.857 13.600 -3.650 151 H SER 26 H SER 26 -2.121 10.117 -7.305 152 HA SER 26 HA SER 26 -4.546 8.368 -7.177 153 HB3 SER 26 2HB SER 26 -4.614 9.086 -9.297 154 HG SER 26 HG SER 26 -3.023 10.459 -9.707 155 H VAL 27 H VAL 27 -4.222 6.462 -6.346 156 HA VAL 27 HA VAL 27 -1.475 5.262 -6.208 157 HB VAL 27 HB VAL 27 -2.525 3.797 -4.399 158 HG11 VAL 27 1HG1 VAL 27 -2.154 5.468 -2.638 159 HG12 VAL 27 2HG1 VAL 27 -0.936 5.588 -3.920 160 HG13 VAL 27 3HG1 VAL 27 -2.282 6.762 -3.861 161 HG21 VAL 27 3HG2 VAL 27 -4.946 4.436 -4.824 162 HG22 VAL 27 1HG2 VAL 27 -4.422 4.597 -3.139 163 HG23 VAL 27 2HG2 VAL 27 -4.588 6.039 -4.166 164 H SER 28 H SER 28 -1.190 3.173 -6.958 165 HA SER 28 HA SER 28 -3.450 1.851 -8.394 166 HB3 SER 28 2HB SER 28 -0.621 0.799 -7.965 167 HG SER 28 HG SER 28 -1.316 -0.850 -9.164 168 H ILE 29 H ILE 29 -4.455 0.014 -7.363 169 HA ILE 29 HA ILE 29 -3.563 -0.570 -4.571 170 HB ILE 29 HB ILE 29 -6.310 0.012 -5.690 171 HG13 ILE 29 2HG1 ILE 29 -4.591 1.854 -4.642 172 HG21 ILE 29 1HG2 ILE 29 -5.570 -1.295 -3.037 173 HG22 ILE 29 2HG2 ILE 29 -7.118 -0.461 -3.299 174 HG23 ILE 29 3HG2 ILE 29 -6.708 -1.839 -4.283 175 HD11 ILE 29 3HD1 ILE 29 -6.479 3.104 -3.697 176 HD12 ILE 29 1HD1 ILE 29 -6.828 2.437 -5.318 177 HD13 ILE 29 2HD1 ILE 29 -7.509 1.680 -3.865 178 H GLY 30 H GLY 30 -2.757 -2.550 -4.657 179 HA2 GLY 30 1HA GLY 30 -4.023 -4.672 -6.208 180 HA3 GLY 30 2HA GLY 30 -2.459 -4.082 -6.785 181 H GLY 31 H GLY 31 -2.573 -6.601 -6.178 182 HA2 GLY 31 1HA GLY 31 -0.552 -7.174 -4.354 183 HA3 GLY 31 2HA GLY 31 -2.095 -7.531 -3.561 184 H ALA 32 H ALA 32 -0.545 -9.732 -4.049 185 HA ALA 32 HA ALA 32 -1.975 -11.153 -6.225 186 HB1 ALA 32 1HB ALA 32 0.376 -10.590 -6.971 187 HB2 ALA 32 2HB ALA 32 0.964 -11.589 -5.599 188 HB3 ALA 32 3HB ALA 32 0.005 -12.315 -6.882 189 H ASP 33 H ASP 33 -1.969 -13.512 -5.857 190 HA ASP 33 HA ASP 33 -1.790 -14.267 -3.000 191 HB3 ASP 33 2HB ASP 33 -4.186 -13.586 -3.938 192 H LYS 34 H LYS 34 -2.631 -16.757 -2.961 193 HA LYS 34 HA LYS 34 -0.703 -18.234 -4.556 194 HB3 LYS 34 2HB LYS 34 -2.903 -19.384 -2.799 195 HG3 LYS 34 2HG LYS 34 -0.215 -20.541 -3.690 196 HD3 LYS 34 2HD LYS 34 -1.626 -22.673 -3.462 197 HE3 LYS 34 2HE LYS 34 -1.236 -21.327 -0.773 198 HZ1 LYS 34 3HZ LYS 34 -0.603 -24.065 -1.683 199 HZ2 LYS 34 1HZ LYS 34 -2.047 -23.682 -1.028 200 HZ3 LYS 34 2HZ LYS 34 -0.687 -23.532 -0.118 201 H GLY 35 H GLY 35 -1.548 -17.288 -6.482 202 HA2 GLY 35 1HA GLY 35 -2.542 -19.228 -8.158 203 HA3 GLY 35 2HA GLY 35 -3.991 -18.322 -7.664 204 H GLY 36 H GLY 36 -3.462 -15.869 -7.509 205 HA2 GLY 36 1HA GLY 36 -2.495 -14.909 -10.149 206 HA3 GLY 36 2HA GLY 36 -4.234 -15.050 -9.831 207 HA PRO 37 HA PRO 37 -3.083 -10.818 -8.200 208 HB3 PRO 37 2HB PRO 37 -3.866 -9.879 -10.168 209 HG3 PRO 37 2HG PRO 37 -5.745 -10.844 -11.354 210 HD3 PRO 37 2HD PRO 37 -3.981 -12.442 -11.268 211 H ALA 38 H ALA 38 -3.841 -10.028 -6.270 212 HA ALA 38 HA ALA 38 -5.741 -11.664 -4.729 213 HB1 ALA 38 1HB ALA 38 -3.752 -10.714 -3.608 214 HB2 ALA 38 2HB ALA 38 -4.262 -9.067 -4.072 215 HB3 ALA 38 3HB ALA 38 -5.241 -10.009 -2.942 216 H LYS 39 H LYS 39 -7.900 -11.184 -4.686 217 HA LYS 39 HA LYS 39 -9.143 -8.984 -6.032 218 HB3 LYS 39 2HB LYS 39 -11.100 -9.518 -4.591 219 HG3 LYS 39 2HG LYS 39 -9.828 -12.096 -5.580 220 HD3 LYS 39 2HD LYS 39 -12.693 -11.062 -5.665 221 HE3 LYS 39 2HE LYS 39 -11.904 -12.932 -7.276 222 HZ1 LYS 39 3HZ LYS 39 -12.085 -14.467 -4.745 223 HZ2 LYS 39 1HZ LYS 39 -10.711 -14.306 -5.678 224 HZ3 LYS 39 2HZ LYS 39 -11.992 -15.122 -6.241 225 H LEU 40 H LEU 40 -9.509 -6.801 -5.369 226 HA LEU 40 HA LEU 40 -8.845 -6.103 -2.582 227 HB3 LEU 40 2HB LEU 40 -8.547 -3.893 -3.349 228 HG LEU 40 HG LEU 40 -6.868 -3.750 -4.901 229 HD11 LEU 40 1HD1 LEU 40 -5.170 -5.270 -4.154 230 HD12 LEU 40 2HD1 LEU 40 -6.391 -6.447 -3.646 231 HD13 LEU 40 3HD1 LEU 40 -6.247 -4.874 -2.802 232 HD21 LEU 40 3HD2 LEU 40 -7.328 -6.421 -6.080 233 HD22 LEU 40 1HD2 LEU 40 -6.131 -5.218 -6.552 234 HD23 LEU 40 2HD2 LEU 40 -7.846 -4.864 -6.771 235 H TYR 41 H TYR 41 -10.296 -4.631 -1.557 236 HA TYR 41 HA TYR 41 -13.109 -4.708 -2.509 237 HB3 TYR 41 2HB TYR 41 -13.722 -5.220 -0.143 238 HD1 TYR 41 1HD TYR 41 -10.723 -7.233 -1.065 239 HD2 TYR 41 2HD TYR 41 -15.002 -7.106 -0.944 240 HE1 TYR 41 1HE TYR 41 -10.792 -9.589 -1.799 241 HE2 TYR 41 2HE TYR 41 -15.117 -9.441 -1.688 242 HH TYR 41 HH TYR 41 -13.875 -11.366 -2.230 243 H ASN 42 H ASN 42 -14.434 -3.162 -1.532 244 HA ASN 42 HA ASN 42 -13.158 -0.564 -1.372 245 HB3 ASN 42 2HB ASN 42 -15.222 -0.988 -2.735 246 HD21 ASN 42 1HD2 ASN 42 -17.766 -0.833 -2.656 247 HD22 ASN 42 2HD2 ASN 42 -18.542 -1.422 -1.229 248 H ASP 43 H ASP 43 -14.374 0.978 0.230 249 HA ASP 43 HA ASP 43 -13.422 0.292 2.826 250 HB3 ASP 43 2HB ASP 43 -15.086 2.674 2.236 251 H LYS 44 H LYS 44 -16.077 -0.951 1.543 252 HA LYS 44 HA LYS 44 -17.743 -0.983 4.014 253 HB3 LYS 44 2HB LYS 44 -19.663 -1.332 2.724 254 HG3 LYS 44 2HG LYS 44 -18.549 0.778 0.912 255 HD3 LYS 44 2HD LYS 44 -20.761 0.738 2.999 256 HE3 LYS 44 2HE LYS 44 -19.799 2.954 2.133 257 HZ1 LYS 44 3HZ LYS 44 -19.999 2.120 -0.306 258 HZ2 LYS 44 1HZ LYS 44 -20.359 3.680 0.083 259 HZ3 LYS 44 2HZ LYS 44 -21.574 2.597 -0.159 260 H GLY 45 H GLY 45 -15.605 -2.761 1.980 261 HA2 GLY 45 1HA GLY 45 -14.971 -4.976 2.301 262 HA3 GLY 45 2HA GLY 45 -16.478 -5.323 3.141 263 H GLU 46 H GLU 46 -17.050 -3.663 0.117 264 HA GLU 46 HA GLU 46 -17.829 -6.263 -1.144 265 HB3 GLU 46 2HB GLU 46 -18.872 -4.722 -2.899 266 HG3 GLU 46 2HG GLU 46 -20.704 -3.894 -1.232 267 H TYR 47 H TYR 47 -17.024 -6.865 -3.046 268 HA TYR 47 HA TYR 47 -14.298 -6.324 -3.646 269 HB3 TYR 47 2HB TYR 47 -16.597 -7.728 -5.050 270 HD1 TYR 47 1HD TYR 47 -12.856 -7.916 -4.858 271 HD2 TYR 47 2HD TYR 47 -16.393 -8.248 -7.251 272 HE1 TYR 47 1HE TYR 47 -11.456 -8.579 -6.823 273 HE2 TYR 47 2HE TYR 47 -15.016 -8.859 -9.254 274 HH TYR 47 HH TYR 47 -12.748 -9.129 -10.093 275 H ILE 48 H ILE 48 -13.321 -4.917 -5.140 276 HA ILE 48 HA ILE 48 -15.063 -3.656 -7.200 277 HB ILE 48 HB ILE 48 -13.643 -1.544 -6.963 278 HG13 ILE 48 2HG1 ILE 48 -12.134 -2.576 -5.129 279 HG21 ILE 48 1HG2 ILE 48 -15.646 -1.952 -4.776 280 HG22 ILE 48 2HG2 ILE 48 -15.324 -0.493 -5.726 281 HG23 ILE 48 3HG2 ILE 48 -16.109 -1.865 -6.492 282 HD11 ILE 48 3HD1 ILE 48 -11.907 -0.394 -4.010 283 HD12 ILE 48 1HD1 ILE 48 -12.145 -0.153 -5.747 284 HD13 ILE 48 2HD1 ILE 48 -13.477 0.119 -4.589 285 H GLY 49 H GLY 49 -12.632 -5.777 -6.920 286 HA2 GLY 49 1HA GLY 49 -12.195 -6.383 -9.367 287 HA3 GLY 49 2HA GLY 49 -11.305 -4.851 -9.412 288 H ASP 50 H ASP 50 -9.861 -7.042 -9.961 289 HA ASP 50 HA ASP 50 -8.279 -7.599 -7.509 290 HB3 ASP 50 2HB ASP 50 -9.062 -9.610 -8.554 291 H SER 51 H SER 51 -8.439 -5.399 -9.965 292 HA SER 51 HA SER 51 -5.812 -4.374 -9.369 293 HB3 SER 51 2HB SER 51 -5.194 -4.144 -11.799 294 HG SER 51 HG SER 51 -5.508 -6.607 -10.508 295 H TYR 52 H TYR 52 -6.226 -2.136 -9.118 296 HA TYR 52 HA TYR 52 -7.348 -0.736 -11.290 297 HB3 TYR 52 2HB TYR 52 -9.553 -1.094 -10.346 298 HD1 TYR 52 1HD TYR 52 -8.326 1.034 -7.579 299 HD2 TYR 52 2HD TYR 52 -9.977 -2.780 -8.719 300 HE1 TYR 52 1HE TYR 52 -8.746 0.552 -5.253 301 HE2 TYR 52 2HE TYR 52 -10.367 -3.335 -6.387 302 HH TYR 52 HH TYR 52 -9.139 -1.178 -3.733 303 H SER 53 H SER 53 -7.413 1.755 -10.539 304 HA SER 53 HA SER 53 -5.584 2.277 -8.294 305 HB3 SER 53 2HB SER 53 -4.378 3.078 -10.176 306 HG SER 53 HG SER 53 -5.264 4.326 -11.734 307 H ALA 54 H ALA 54 -6.110 4.357 -7.236 308 HA ALA 54 HA ALA 54 -8.777 5.388 -7.676 309 HB1 ALA 54 1HB ALA 54 -8.052 4.396 -4.889 310 HB2 ALA 54 2HB ALA 54 -9.566 5.118 -5.391 311 HB3 ALA 54 3HB ALA 54 -9.144 3.512 -5.992 312 H GLN 55 H GLN 55 -9.074 7.361 -6.348 313 HA GLN 55 HA GLN 55 -6.523 8.773 -5.989 314 HB3 GLN 55 2HB GLN 55 -9.310 9.786 -6.672 315 HG3 GLN 55 2HG GLN 55 -6.638 11.162 -7.146 316 HE21 GLN 55 1HE2 GLN 55 -8.417 13.496 -6.340 317 HE22 GLN 55 2HE2 GLN 55 -9.573 13.787 -7.653 318 H ILE 56 H ILE 56 -6.089 9.904 -4.255 319 HA ILE 56 HA ILE 56 -7.823 9.718 -1.875 320 HB ILE 56 HB ILE 56 -5.243 11.283 -1.987 321 HG13 ILE 56 2HG1 ILE 56 -3.976 9.307 -1.421 322 HG21 ILE 56 1HG2 ILE 56 -5.076 10.590 0.369 323 HG22 ILE 56 2HG2 ILE 56 -6.520 11.537 0.041 324 HG23 ILE 56 3HG2 ILE 56 -6.662 9.791 0.252 325 HD11 ILE 56 3HD1 ILE 56 -6.517 7.698 -2.019 326 HD12 ILE 56 1HD1 ILE 56 -4.894 7.045 -1.794 327 HD13 ILE 56 2HD1 ILE 56 -5.736 7.831 -0.433 328 H ARG 57 H ARG 57 -9.514 10.790 -3.150 329 HA ARG 57 HA ARG 57 -9.400 13.760 -3.123 330 HB3 ARG 57 2HB ARG 57 -10.489 13.389 -4.954 331 HG3 ARG 57 2HG ARG 57 -10.460 10.959 -5.026 332 HD3 ARG 57 2HD ARG 57 -12.979 11.287 -3.352 333 HE ARG 57 HE ARG 57 -11.892 8.774 -4.590 334 HH11 ARG 57 1HH1 ARG 57 -14.768 10.651 -3.608 335 HH12 ARG 57 2HH1 ARG 57 -15.807 9.282 -3.530 336 HH21 ARG 57 1HH2 ARG 57 -13.271 7.099 -4.759 337 HH22 ARG 57 2HH2 ARG 57 -14.980 7.223 -4.426 338 H THR 58 H THR 58 -9.329 11.920 -0.658 339 HA THR 58 HA THR 58 -11.573 13.180 0.795 340 HB THR 58 HB THR 58 -11.875 10.880 1.876 341 HG1 THR 58 1HG THR 58 -10.470 9.525 1.304 342 HG21 THR 58 3HG2 THR 58 -13.334 10.051 0.125 343 HG22 THR 58 1HG2 THR 58 -12.559 11.131 -1.071 344 HG23 THR 58 2HG2 THR 58 -13.459 11.818 0.288 345 H ALA 59 H ALA 59 -11.133 13.539 2.989 346 HA ALA 59 HA ALA 59 -8.484 14.141 3.716 347 HB1 ALA 59 1HB ALA 59 -9.401 14.417 5.992 348 HB2 ALA 59 2HB ALA 59 -10.464 15.153 4.778 349 HB3 ALA 59 3HB ALA 59 -10.893 13.587 5.505 350 H THR 60 H THR 60 -10.340 11.097 4.059 351 HA THR 60 HA THR 60 -7.882 9.750 4.909 352 HB THR 60 HB THR 60 -9.228 8.373 6.477 353 HG1 THR 60 1HG THR 60 -11.076 10.269 7.056 354 HG21 THR 60 3HG2 THR 60 -9.142 11.302 7.257 355 HG22 THR 60 1HG2 THR 60 -7.770 10.199 7.280 356 HG23 THR 60 2HG2 THR 60 -9.145 9.886 8.344 357 H MET 61 H MET 61 -7.965 7.444 4.276 358 HA MET 61 HA MET 61 -10.181 6.492 2.679 359 HB3 MET 61 2HB MET 61 -7.500 6.143 1.420 360 HG3 MET 61 2HG MET 61 -8.924 7.345 -0.376 361 HE1 MET 61 3HE MET 61 -8.076 5.432 -2.320 362 HE2 MET 61 1HE MET 61 -7.117 5.585 -0.840 363 HE3 MET 61 2HE MET 61 -7.514 3.983 -1.457 364 H SER 62 H SER 62 -9.647 4.168 2.026 365 HA SER 62 HA SER 62 -7.445 2.843 3.110 366 HB3 SER 62 2HB SER 62 -8.274 2.702 5.124 367 HG SER 62 HG SER 62 -11.038 2.598 4.553 368 H CYS 63 H CYS 63 -7.228 0.705 2.233 369 HA CYS 63 HA CYS 63 -9.524 -0.327 0.663 370 HB3 CYS 63 2HB CYS 63 -8.002 -1.011 -1.162 371 HG CYS 63 HG CYS 63 -9.465 1.222 -1.239 372 H CYS 64 H CYS 64 -9.546 -2.680 0.624 373 HA CYS 64 HA CYS 64 -7.400 -4.049 2.138 374 HB3 CYS 64 2HB CYS 64 -8.898 -3.515 3.826 375 HG CYS 64 HG CYS 64 -11.471 -5.020 2.524 376 H THR 65 H THR 65 -8.121 -6.497 2.276 377 HA THR 65 HA THR 65 -8.816 -7.412 -0.449 378 HB THR 65 HB THR 65 -6.845 -8.927 -0.198 379 HG1 THR 65 1HG THR 65 -5.251 -8.089 1.251 380 HG21 THR 65 3HG2 THR 65 -6.068 -5.988 -0.002 381 HG22 THR 65 1HG2 THR 65 -6.911 -6.660 -1.406 382 HG23 THR 65 2HG2 THR 65 -5.310 -7.260 -0.983 383 H ASN 66 H ASN 66 -8.711 -10.101 -0.108 384 HA ASN 66 HA ASN 66 -10.222 -10.726 2.366 385 HB3 ASN 66 2HB ASN 66 -11.579 -11.128 0.179 386 HD21 ASN 66 1HD2 ASN 66 -9.545 -11.653 -1.548 387 HD22 ASN 66 2HD2 ASN 66 -9.687 -13.305 -2.081 388 H GLY 67 H GLY 67 -9.767 -13.448 2.477 389 HA2 GLY 67 1HA GLY 67 -7.164 -13.512 3.522 390 HA3 GLY 67 2HA GLY 67 -8.173 -14.913 3.202 391 H ASN 68 H ASN 68 -7.973 -13.689 0.215 392 HA ASN 68 HA ASN 68 -5.725 -15.468 -0.537 393 HB3 ASN 68 2HB ASN 68 -6.580 -15.076 -2.864 394 HD21 ASN 68 1HD2 ASN 68 -9.477 -15.461 -0.669 395 HD22 ASN 68 2HD2 ASN 68 -9.513 -17.192 -0.883 396 H ALA 69 H ALA 69 -4.090 -13.969 0.354 397 HA ALA 69 HA ALA 69 -2.918 -12.852 -1.930 398 HB1 ALA 69 1HB ALA 69 -2.595 -10.582 -1.450 399 HB2 ALA 69 2HB ALA 69 -4.279 -10.784 -0.944 400 HB3 ALA 69 3HB ALA 69 -2.961 -10.807 0.258 401 H PHE 70 H PHE 70 -0.741 -11.915 -1.346 402 HA PHE 70 HA PHE 70 0.391 -12.989 1.203 403 HB3 PHE 70 2HB PHE 70 2.552 -13.121 -0.214 404 HD1 PHE 70 1HD PHE 70 1.567 -14.945 1.557 405 HD2 PHE 70 2HD PHE 70 0.761 -14.917 -2.669 406 HE1 PHE 70 1HE PHE 70 0.863 -17.324 1.687 407 HE2 PHE 70 2HE PHE 70 0.314 -17.381 -2.568 408 HZ PHE 70 HZ PHE 70 0.279 -18.550 -0.391 409 H PHE 71 H PHE 71 -0.027 -10.189 -0.843 410 HA PHE 71 HA PHE 71 1.247 -8.514 1.127 411 HB3 PHE 71 2HB PHE 71 3.070 -9.168 -0.572 412 HD1 PHE 71 2HD PHE 71 2.101 -10.169 -2.733 413 HD2 PHE 71 1HD PHE 71 2.385 -5.918 -1.982 414 HE1 PHE 71 2HE PHE 71 1.908 -9.667 -5.178 415 HE2 PHE 71 1HE PHE 71 2.129 -5.468 -4.405 416 HZ PHE 71 HZ PHE 71 1.903 -7.347 -5.999 417 H MET 72 H MET 72 0.967 -6.124 0.275 418 HA MET 72 HA MET 72 -1.027 -5.711 -1.762 419 HB3 MET 72 2HB MET 72 -1.333 -4.536 1.028 420 HG3 MET 72 2HG MET 72 -3.329 -4.674 -1.248 421 HE1 MET 72 3HE MET 72 -6.202 -2.784 0.203 422 HE2 MET 72 1HE MET 72 -4.890 -1.892 -0.596 423 HE3 MET 72 2HE MET 72 -5.392 -3.490 -1.198 424 H THR 73 H THR 73 -0.693 -3.463 -2.579 425 HA THR 73 HA THR 73 1.694 -2.046 -1.461 426 HB THR 73 HB THR 73 2.425 -3.283 -3.376 427 HG1 THR 73 1HG THR 73 3.309 -1.653 -4.452 428 HG21 THR 73 3HG2 THR 73 0.151 -1.968 -4.919 429 HG22 THR 73 1HG2 THR 73 0.391 -3.701 -4.641 430 HG23 THR 73 2HG2 THR 73 1.509 -2.815 -5.667 431 H CYS 74 H CYS 74 1.769 0.198 -1.931 432 HA CYS 74 HA CYS 74 -0.698 1.618 -2.701 433 HB3 CYS 74 2HB CYS 74 0.460 2.793 -0.175 434 HG CYS 74 HG CYS 74 -2.461 1.498 -0.943 435 H ALA 75 H ALA 75 1.598 1.294 -4.184 436 HA ALA 75 HA ALA 75 3.201 3.752 -4.108 437 HB1 ALA 75 1HB ALA 75 3.937 2.965 -6.332 438 HB2 ALA 75 2HB ALA 75 4.094 1.667 -5.121 439 HB3 ALA 75 3HB ALA 75 2.748 1.649 -6.269 440 H GLY 76 H GLY 76 2.882 5.667 -5.275 441 HA2 GLY 76 1HA GLY 76 0.804 5.950 -7.218 442 HA3 GLY 76 2HA GLY 76 0.352 6.586 -5.625 443 H SER 77 H SER 77 0.367 8.563 -7.240 444 HA SER 77 HA SER 77 2.940 9.964 -6.823 445 HB3 SER 77 2HB SER 77 2.803 9.138 -9.167 446 HG SER 77 HG SER 77 1.291 9.856 -10.533 447 H VAL 78 H VAL 78 2.680 12.340 -6.940 448 HA VAL 78 HA VAL 78 -0.101 13.278 -6.297 449 HB VAL 78 HB VAL 78 2.527 14.299 -5.184 450 HG11 VAL 78 1HG1 VAL 78 1.268 15.560 -3.556 451 HG12 VAL 78 2HG1 VAL 78 0.888 16.061 -5.200 452 HG13 VAL 78 3HG1 VAL 78 -0.257 15.033 -4.296 453 HG21 VAL 78 3HG2 VAL 78 1.951 12.042 -4.196 454 HG22 VAL 78 1HG2 VAL 78 1.844 13.326 -3.000 455 HG23 VAL 78 2HG2 VAL 78 0.366 12.679 -3.737 456 H SER 79 H SER 79 -0.594 15.409 -7.210 457 HA SER 79 HA SER 79 1.520 16.977 -8.416 458 HB3 SER 79 2HB SER 79 1.375 15.852 -10.429 459 HG SER 79 HG SER 79 -0.199 14.351 -10.072 460 H SER 80 H SER 80 0.949 19.167 -8.656 461 HA SER 80 HA SER 80 -1.831 19.994 -8.610 462 HB3 SER 80 2HB SER 80 0.042 21.078 -6.457 463 HG SER 80 HG SER 80 -2.736 21.136 -6.347 464 H ILE 81 H ILE 81 -1.965 22.293 -9.105 465 HA ILE 81 HA ILE 81 0.416 23.592 -10.295 466 HB ILE 81 HB ILE 81 -0.952 24.019 -12.353 467 HG13 ILE 81 2HG1 ILE 81 -3.155 23.229 -11.072 468 HG21 ILE 81 1HG2 ILE 81 -0.399 21.931 -13.430 469 HG22 ILE 81 2HG2 ILE 81 0.856 22.321 -12.251 470 HG23 ILE 81 3HG2 ILE 81 -0.348 21.068 -11.886 471 HD11 ILE 81 3HD1 ILE 81 -4.221 22.664 -13.192 472 HD12 ILE 81 1HD1 ILE 81 -3.201 24.119 -13.301 473 HD13 ILE 81 2HD1 ILE 81 -2.634 22.572 -13.981 474 H SER 82 H SER 82 -1.336 23.991 -7.938 475 HA SER 82 HA SER 82 -2.885 26.406 -8.399 476 HB3 SER 82 2HB SER 82 -1.875 25.279 -5.761 477 HG SER 82 HG SER 82 -4.438 26.333 -6.157 478 H GLU 83 H GLU 83 -1.982 27.853 -6.120 479 HA GLU 83 HA GLU 83 0.463 29.194 -7.121 480 HB3 GLU 83 2HB GLU 83 0.015 30.876 -5.468 481 HG3 GLU 83 2HG GLU 83 -2.663 30.087 -6.700 482 H ALA 84 H ALA 84 2.102 29.741 -5.434 483 HA ALA 84 HA ALA 84 3.117 27.568 -3.919 484 HB1 ALA 84 1HB ALA 84 4.451 29.501 -4.824 485 HB2 ALA 84 2HB ALA 84 3.666 30.557 -3.643 486 HB3 ALA 84 3HB ALA 84 4.710 29.243 -3.083 487 H GLY 85 H GLY 85 3.466 27.545 -1.598 488 HA2 GLY 85 1HA GLY 85 3.028 27.940 0.620 489 HA3 GLY 85 2HA GLY 85 1.880 29.205 0.193 490 H LYS 86 H LYS 86 0.975 26.464 -1.566 491 HA LYS 86 HA LYS 86 -1.185 25.713 0.291 492 HB3 LYS 86 2HB LYS 86 -1.854 24.130 -1.428 493 HG3 LYS 86 2HG LYS 86 -2.198 25.561 -3.457 494 HD3 LYS 86 2HD LYS 86 -2.819 26.653 -0.726 495 HE3 LYS 86 2HE LYS 86 -3.540 28.176 -3.247 496 HZ1 LYS 86 3HZ LYS 86 -3.946 29.898 -1.612 497 HZ2 LYS 86 1HZ LYS 86 -3.374 28.943 -0.398 498 HZ3 LYS 86 2HZ LYS 86 -4.765 28.532 -1.168 499 H ARG 87 H ARG 87 -0.766 24.316 1.844 500 HA ARG 87 HA ARG 87 1.816 22.797 1.743 501 HB3 ARG 87 2HB ARG 87 1.790 22.756 4.097 502 HG3 ARG 87 2HG ARG 87 0.408 25.434 3.686 503 HD3 ARG 87 2HD ARG 87 2.135 26.308 5.123 504 HE ARG 87 HE ARG 87 0.261 24.757 6.160 505 HH11 ARG 87 1HH1 ARG 87 3.738 24.633 6.879 506 HH12 ARG 87 2HH1 ARG 87 3.565 23.544 8.218 507 HH21 ARG 87 1HH2 ARG 87 0.001 23.554 8.025 508 HH22 ARG 87 2HH2 ARG 87 1.384 22.853 8.818 509 H LEU 88 H LEU 88 1.749 20.442 2.697 510 HA LEU 88 HA LEU 88 -0.862 19.175 2.522 511 HB3 LEU 88 2HB LEU 88 1.303 18.102 0.758 512 HG LEU 88 HG LEU 88 -0.995 16.932 1.144 513 HD11 LEU 88 1HD1 LEU 88 -1.922 19.210 -0.678 514 HD12 LEU 88 2HD1 LEU 88 -2.361 19.067 1.006 515 HD13 LEU 88 3HD1 LEU 88 -2.919 17.853 -0.154 516 HD21 LEU 88 3HD2 LEU 88 0.235 16.116 -0.697 517 HD22 LEU 88 1HD2 LEU 88 0.120 17.644 -1.589 518 HD23 LEU 88 2HD2 LEU 88 -1.290 16.582 -1.430 519 H HIS 89 H HIS 89 -0.836 17.195 3.588 520 HA HIS 89 HA HIS 89 1.696 15.959 4.444 521 HB3 HIS 89 2HB HIS 89 -0.471 16.749 6.420 522 HD1 HIS 89 1HD HIS 89 2.727 16.937 8.021 523 HD2 HIS 89 2HD HIS 89 0.243 13.749 6.807 524 HE1 HIS 89 1HE HIS 89 3.378 14.902 9.420 525 H ILE 90 H ILE 90 1.304 14.202 3.242 526 HA ILE 90 HA ILE 90 -1.239 12.708 3.393 527 HB ILE 90 HB ILE 90 1.223 12.510 1.604 528 HG13 ILE 90 2HG1 ILE 90 0.064 14.481 1.029 529 HG21 ILE 90 1HG2 ILE 90 -1.372 10.952 1.326 530 HG22 ILE 90 2HG2 ILE 90 0.068 10.879 0.274 531 HG23 ILE 90 3HG2 ILE 90 0.172 10.275 1.912 532 HD11 ILE 90 3HD1 ILE 90 -0.993 14.155 -1.113 533 HD12 ILE 90 1HD1 ILE 90 0.335 12.984 -0.989 534 HD13 ILE 90 2HD1 ILE 90 -1.350 12.468 -0.747 535 H THR 91 H THR 91 -1.315 10.638 4.255 536 HA THR 91 HA THR 91 1.127 9.531 5.533 537 HB THR 91 HB THR 91 -1.625 9.646 6.802 538 HG1 THR 91 1HG THR 91 -0.957 11.667 6.941 539 HG21 THR 91 3HG2 THR 91 -0.502 8.972 8.864 540 HG22 THR 91 1HG2 THR 91 1.055 8.853 8.023 541 HG23 THR 91 2HG2 THR 91 -0.277 7.773 7.594 542 H VAL 92 H VAL 92 1.233 7.250 5.473 543 HA VAL 92 HA VAL 92 -0.955 5.712 4.233 544 HB VAL 92 HB VAL 92 1.097 4.541 3.026 545 HG11 VAL 92 1HG1 VAL 92 -0.439 6.899 1.910 546 HG12 VAL 92 2HG1 VAL 92 0.491 5.728 0.934 547 HG13 VAL 92 3HG1 VAL 92 -0.876 5.167 1.898 548 HG21 VAL 92 3HG2 VAL 92 2.761 6.268 3.733 549 HG22 VAL 92 1HG2 VAL 92 2.701 6.012 1.966 550 HG23 VAL 92 2HG2 VAL 92 1.942 7.442 2.696 551 H ILE 93 H ILE 93 -1.451 4.294 5.826 552 HA ILE 93 HA ILE 93 0.747 2.905 7.277 553 HB ILE 93 HB ILE 93 -1.915 3.947 8.314 554 HG13 ILE 93 2HG1 ILE 93 -0.258 5.705 8.028 555 HG21 ILE 93 1HG2 ILE 93 -1.384 1.789 9.351 556 HG22 ILE 93 2HG2 ILE 93 0.273 2.333 9.686 557 HG23 ILE 93 3HG2 ILE 93 -1.124 3.067 10.508 558 HD11 ILE 93 3HD1 ILE 93 -0.071 5.024 10.974 559 HD12 ILE 93 1HD1 ILE 93 0.077 6.607 10.195 560 HD13 ILE 93 2HD1 ILE 93 -1.494 5.786 10.217 561 H GLY 94 H GLY 94 0.511 0.677 7.547 562 HA2 GLY 94 1HA GLY 94 -1.718 -0.628 6.065 563 HA3 GLY 94 2HA GLY 94 -0.010 -0.913 5.682 564 H TYR 95 H TYR 95 -2.166 -2.737 6.626 565 HA TYR 95 HA TYR 95 -1.018 -3.727 9.183 566 HB3 TYR 95 2HB TYR 95 -3.369 -4.335 9.770 567 HD1 TYR 95 2HD TYR 95 -3.572 -0.969 8.112 568 HD2 TYR 95 1HD TYR 95 -3.072 -3.159 11.816 569 HE1 TYR 95 2HE TYR 95 -3.813 1.131 9.390 570 HE2 TYR 95 1HE TYR 95 -3.337 -1.074 13.084 571 HH TYR 95 HH TYR 95 -4.104 1.172 12.903 572 H ILE 96 H ILE 96 -1.368 -5.965 9.575 573 HA ILE 96 HA ILE 96 -2.435 -7.615 7.375 574 HB ILE 96 HB ILE 96 0.175 -8.216 8.847 575 HG13 ILE 96 2HG1 ILE 96 0.454 -6.620 6.980 576 HG21 ILE 96 1HG2 ILE 96 -1.182 -10.259 8.596 577 HG22 ILE 96 2HG2 ILE 96 -1.419 -9.916 6.858 578 HG23 ILE 96 3HG2 ILE 96 0.180 -10.324 7.510 579 HD11 ILE 96 3HD1 ILE 96 1.394 -9.312 5.925 580 HD12 ILE 96 1HD1 ILE 96 2.092 -7.708 5.655 581 HD13 ILE 96 2HD1 ILE 96 2.204 -8.449 7.261 582 H ASP 97 H ASP 97 -3.947 -8.869 8.185 583 HA ASP 97 HA ASP 97 -5.286 -10.015 9.481 584 HB3 ASP 97 2HB ASP 97 -3.329 -10.163 11.796 585 H ASP 98 H ASP 98 -3.655 -8.272 12.071 586 HA ASP 98 HA ASP 98 -5.872 -6.397 12.441 587 HB3 ASP 98 2HB ASP 98 -6.528 -8.400 13.710 588 H LYS 99 H LYS 99 -2.590 -6.825 12.189 589 HA LYS 99 HA LYS 99 -1.961 -4.687 14.166 590 HB3 LYS 99 2HB LYS 99 0.371 -6.146 13.822 591 HG3 LYS 99 2HG LYS 99 -1.728 -6.660 15.965 592 HD3 LYS 99 2HD LYS 99 0.499 -8.015 15.915 593 HE3 LYS 99 2HE LYS 99 1.368 -5.230 16.799 594 HZ1 LYS 99 3HZ LYS 99 2.866 -7.777 17.057 595 HZ2 LYS 99 1HZ LYS 99 2.199 -6.943 18.307 596 HZ3 LYS 99 2HZ LYS 99 3.427 -6.270 17.475 597 H GLU 100 H GLU 100 -0.396 -3.219 13.676 598 HA GLU 100 HA GLU 100 -0.349 -2.483 10.874 599 HB3 GLU 100 2HB GLU 100 0.879 -1.055 13.258 600 HG3 GLU 100 2HG GLU 100 -0.570 0.068 10.827 601 H VAL 101 H VAL 101 1.410 -2.789 9.521 602 HA VAL 101 HA VAL 101 4.022 -3.554 10.771 603 HB VAL 101 HB VAL 101 4.294 -5.327 9.215 604 HG11 VAL 101 1HG1 VAL 101 2.691 -6.917 10.010 605 HG12 VAL 101 2HG1 VAL 101 3.060 -5.791 11.329 606 HG13 VAL 101 3HG1 VAL 101 1.534 -5.637 10.423 607 HG21 VAL 101 3HG2 VAL 101 3.094 -4.423 7.262 608 HG22 VAL 101 1HG2 VAL 101 2.597 -6.060 7.654 609 HG23 VAL 101 2HG2 VAL 101 1.535 -4.693 8.090 610 H ASN 102 H ASN 102 2.637 -1.223 8.787 611 HA ASN 102 HA ASN 102 5.310 -0.382 8.016 612 HB3 ASN 102 2HB ASN 102 3.232 -0.618 5.798 613 HD21 ASN 102 1HD2 ASN 102 5.273 -1.309 3.834 614 HD22 ASN 102 2HD2 ASN 102 6.361 0.052 3.759 615 H ARG 103 H ARG 103 5.301 1.843 8.300 616 HA ARG 103 HA ARG 103 2.912 3.377 7.680 617 HB3 ARG 103 2HB ARG 103 2.386 3.112 10.015 618 HG3 ARG 103 2HG ARG 103 5.270 3.806 10.657 619 HD3 ARG 103 2HD ARG 103 2.872 3.905 12.524 620 HE ARG 103 HE ARG 103 5.385 3.244 13.251 621 HH11 ARG 103 1HH1 ARG 103 3.515 6.223 13.914 622 HH12 ARG 103 2HH1 ARG 103 4.770 6.871 14.954 623 HH21 ARG 103 1HH2 ARG 103 6.826 4.054 14.893 624 HH22 ARG 103 2HH2 ARG 103 6.495 5.608 15.611 625 H LEU 104 H LEU 104 3.489 4.937 6.325 626 HA LEU 104 HA LEU 104 5.630 6.614 7.431 627 HB3 LEU 104 2HB LEU 104 6.711 5.233 5.756 628 HG LEU 104 HG LEU 104 4.602 5.210 4.167 629 HD11 LEU 104 1HD1 LEU 104 4.969 6.766 2.188 630 HD12 LEU 104 2HD1 LEU 104 6.216 7.605 3.112 631 HD13 LEU 104 3HD1 LEU 104 4.556 7.687 3.634 632 HD21 LEU 104 3HD2 LEU 104 6.666 3.936 3.862 633 HD22 LEU 104 1HD2 LEU 104 7.462 5.354 3.146 634 HD23 LEU 104 2HD2 LEU 104 6.084 4.575 2.318 635 H GLU 105 H GLU 105 5.626 8.762 6.162 636 HA GLU 105 HA GLU 105 3.209 9.664 4.946 637 HB3 GLU 105 2HB GLU 105 2.499 10.046 7.143 638 HG3 GLU 105 2HG GLU 105 5.230 10.218 7.918 639 H LYS 106 H LYS 106 3.620 12.084 4.583 640 HA LYS 106 HA LYS 106 6.473 12.609 4.047 641 HB3 LYS 106 2HB LYS 106 4.652 13.281 1.821 642 HG3 LYS 106 2HG LYS 106 7.231 13.380 1.824 643 HD3 LYS 106 2HD LYS 106 7.656 11.063 2.673 644 HE3 LYS 106 2HE LYS 106 6.369 10.324 0.003 645 HZ1 LYS 106 3HZ LYS 106 6.926 8.025 0.686 646 HZ2 LYS 106 1HZ LYS 106 7.754 8.609 1.987 647 HZ3 LYS 106 2HZ LYS 106 8.280 8.927 0.463 648 H GLU 107 H GLU 107 6.478 14.977 2.939 649 HA GLU 107 HA GLU 107 4.144 16.629 3.666 650 HB3 GLU 107 2HB GLU 107 6.943 17.447 4.523 651 HG3 GLU 107 2HG GLU 107 4.166 18.614 4.812 652 H TYR 108 H TYR 108 3.813 18.212 2.037 653 HA TYR 108 HA TYR 108 6.046 18.820 0.220 654 HB3 TYR 108 2HB TYR 108 4.921 18.582 -1.756 655 HD1 TYR 108 1HD TYR 108 6.276 16.440 -1.734 656 HD2 TYR 108 2HD TYR 108 2.256 16.669 -0.374 657 HE1 TYR 108 1HE TYR 108 6.228 13.977 -1.612 658 HE2 TYR 108 2HE TYR 108 2.133 14.206 -0.182 659 HH TYR 108 HH TYR 108 4.019 12.092 -1.377 660 H ILE 109 H ILE 109 5.622 20.940 -0.868 661 HA ILE 109 HA ILE 109 3.350 22.452 0.019 662 HB ILE 109 HB ILE 109 6.100 23.713 0.334 663 HG13 ILE 109 2HG1 ILE 109 5.890 21.981 2.089 664 HG21 ILE 109 1HG2 ILE 109 4.839 25.527 1.464 665 HG22 ILE 109 2HG2 ILE 109 4.159 25.235 -0.117 666 HG23 ILE 109 3HG2 ILE 109 3.335 24.590 1.297 667 HD11 ILE 109 3HD1 ILE 109 5.461 24.651 3.438 668 HD12 ILE 109 1HD1 ILE 109 6.311 23.227 4.040 669 HD13 ILE 109 2HD1 ILE 109 6.996 24.142 2.682 670 H THR 110 H THR 110 2.855 24.062 -1.683 671 HA THR 110 HA THR 110 4.331 23.788 -4.212 672 HB THR 110 HB THR 110 2.716 25.706 -4.826 673 HG1 THR 110 1HG THR 110 1.092 26.089 -3.616 674 HG21 THR 110 3HG2 THR 110 2.254 23.453 -5.574 675 HG22 THR 110 1HG2 THR 110 0.741 24.160 -5.013 676 HG23 THR 110 2HG2 THR 110 1.603 22.984 -3.990 677 H ASP 111 H ASP 111 5.853 25.210 -4.883 678 HA ASP 111 HA ASP 111 6.461 27.636 -3.234 679 HB3 ASP 111 2HB ASP 111 8.873 27.070 -4.299 680 H GLY 112 H GLY 112 5.121 26.728 -6.074 681 HA2 GLY 112 1HA GLY 112 4.558 28.377 -7.710 682 HA3 GLY 112 2HA GLY 112 6.185 29.049 -7.606 683 H ASN 113 H ASN 113 6.886 25.817 -7.389 684 HA ASN 113 HA ASN 113 7.308 25.532 -10.283 685 HB3 ASN 113 2HB ASN 113 8.755 23.738 -9.645 686 HD21 ASN 113 1HD2 ASN 113 10.496 23.709 -7.536 687 HD22 ASN 113 2HD2 ASN 113 11.272 25.246 -7.290 688 H THR 114 H THR 114 6.539 23.401 -11.274 689 HA THR 114 HA THR 114 3.957 22.654 -10.591 690 HB THR 114 HB THR 114 5.551 20.579 -11.971 691 HG1 THR 114 1HG THR 114 5.990 21.930 -13.779 692 HG21 THR 114 3HG2 THR 114 3.822 21.012 -13.709 693 HG22 THR 114 1HG2 THR 114 3.278 22.439 -12.806 694 HG23 THR 114 2HG2 THR 114 3.079 20.817 -12.110 695 H LEU 115 H LEU 115 3.181 21.620 -8.872 696 HA LEU 115 HA LEU 115 4.898 20.329 -6.921 697 HB3 LEU 115 2HB LEU 115 1.878 20.276 -7.219 698 HG LEU 115 HG LEU 115 1.929 20.641 -4.715 699 HD11 LEU 115 1HD1 LEU 115 0.998 18.627 -5.671 700 HD12 LEU 115 2HD1 LEU 115 1.903 18.234 -4.208 701 HD13 LEU 115 3HD1 LEU 115 2.603 17.881 -5.790 702 HD21 LEU 115 3HD2 LEU 115 3.705 19.763 -3.394 703 HD22 LEU 115 1HD2 LEU 115 4.369 21.007 -4.462 704 HD23 LEU 115 2HD2 LEU 115 4.637 19.275 -4.813 705 H ILE 116 H ILE 116 5.231 18.040 -6.706 706 HA ILE 116 HA ILE 116 3.816 16.086 -8.085 707 HB ILE 116 HB ILE 116 6.637 16.554 -9.100 708 HG13 ILE 116 2HG1 ILE 116 5.220 18.241 -10.076 709 HG21 ILE 116 1HG2 ILE 116 4.487 14.517 -9.888 710 HG22 ILE 116 2HG2 ILE 116 6.036 14.710 -10.723 711 HG23 ILE 116 3HG2 ILE 116 6.039 14.169 -9.085 712 HD11 ILE 116 3HD1 ILE 116 6.967 17.257 -11.509 713 HD12 ILE 116 1HD1 ILE 116 5.682 16.241 -12.219 714 HD13 ILE 116 2HD1 ILE 116 5.589 17.998 -12.359 715 H GLU 117 H GLU 117 4.707 14.099 -7.320 716 HA GLU 117 HA GLU 117 7.245 13.742 -6.193 717 HB3 GLU 117 2HB GLU 117 6.258 14.877 -4.227 718 HG3 GLU 117 2HG GLU 117 4.135 13.176 -4.661 719 H THR 118 H THR 118 7.213 11.276 -5.300 720 HA THR 118 HA THR 118 4.843 9.749 -6.047 721 HB THR 118 HB THR 118 6.228 8.045 -7.189 722 HG1 THR 118 1HG THR 118 8.181 8.946 -8.248 723 HG21 THR 118 3HG2 THR 118 6.252 9.024 -9.385 724 HG22 THR 118 1HG2 THR 118 6.135 10.664 -8.722 725 HG23 THR 118 2HG2 THR 118 4.808 9.509 -8.497 726 H PHE 119 H PHE 119 4.549 8.021 -4.793 727 HA PHE 119 HA PHE 119 6.540 7.487 -2.650 728 HB3 PHE 119 2HB PHE 119 4.788 8.842 -1.684 729 HD1 PHE 119 2HD PHE 119 3.110 9.438 -3.690 730 HD2 PHE 119 1HD PHE 119 2.627 6.061 -1.043 731 HE1 PHE 119 2HE PHE 119 0.682 9.516 -4.048 732 HE2 PHE 119 1HE PHE 119 0.197 6.111 -1.453 733 HZ PHE 119 HZ PHE 119 -0.795 7.902 -2.856 734 H SER 120 H SER 120 5.925 5.429 -1.493 735 HA SER 120 HA SER 120 4.381 3.440 -2.666 736 HB3 SER 120 2HB SER 120 5.893 3.201 -4.517 737 HG SER 120 HG SER 120 8.188 2.614 -3.278 738 H VAL 121 H VAL 121 4.197 1.678 -1.428 739 HA VAL 121 HA VAL 121 5.704 1.327 0.999 740 HB VAL 121 HB VAL 121 4.095 3.467 1.120 741 HG11 VAL 121 1HG1 VAL 121 1.944 1.533 1.387 742 HG12 VAL 121 2HG1 VAL 121 1.967 3.306 1.611 743 HG13 VAL 121 3HG1 VAL 121 2.381 2.666 0.008 744 HG21 VAL 121 3HG2 VAL 121 3.492 1.258 3.075 745 HG22 VAL 121 1HG2 VAL 121 4.979 2.265 3.224 746 HG23 VAL 121 2HG2 VAL 121 3.338 2.996 3.365 747 H SER 122 H SER 122 5.464 -0.911 1.300 748 HA SER 122 HA SER 122 2.975 -2.181 0.292 749 HB3 SER 122 2HB SER 122 4.188 -3.973 -0.703 750 HG SER 122 HG SER 122 5.729 -2.614 -2.125 751 H THR 123 H THR 123 2.271 -3.905 1.578 752 HA THR 123 HA THR 123 3.351 -3.743 4.316 753 HB THR 123 HB THR 123 1.504 -5.743 4.500 754 HG1 THR 123 1HG THR 123 -0.052 -4.237 2.910 755 HG21 THR 123 3HG2 THR 123 1.536 -3.569 5.732 756 HG22 THR 123 1HG2 THR 123 -0.085 -4.125 5.254 757 HG23 THR 123 2HG2 THR 123 0.723 -2.821 4.336 758 H LYS 124 H LYS 124 4.096 -5.634 1.549 759 HA LYS 124 HA LYS 124 5.789 -7.343 3.182 760 HB3 LYS 124 2HB LYS 124 5.028 -8.803 0.809 761 HG3 LYS 124 2HG LYS 124 5.937 -9.714 3.016 762 HD3 LYS 124 2HD LYS 124 3.021 -9.185 3.731 763 HE3 LYS 124 2HE LYS 124 3.331 -10.604 5.701 764 HZ1 LYS 124 3HZ LYS 124 2.630 -12.376 4.652 765 HZ2 LYS 124 1HZ LYS 124 3.898 -12.486 3.594 766 HZ3 LYS 124 2HZ LYS 124 2.640 -11.450 3.278 767 H GLU 125 H GLU 125 7.708 -7.358 2.351 768 HA GLU 125 HA GLU 125 8.467 -6.958 -0.356 769 HB3 GLU 125 2HB GLU 125 9.638 -4.800 1.394 770 HG3 GLU 125 2HG GLU 125 8.797 -3.489 -0.752 771 H ILE 126 H ILE 126 10.409 -8.224 -0.375 772 HA ILE 126 HA ILE 126 11.190 -9.490 2.142 773 HB ILE 126 HB ILE 126 12.929 -10.594 0.853 774 HG13 ILE 126 2HG1 ILE 126 13.161 -8.643 -0.886 775 HG21 ILE 126 1HG2 ILE 126 10.660 -11.562 1.053 776 HG22 ILE 126 2HG2 ILE 126 10.176 -10.777 -0.469 777 HG23 ILE 126 3HG2 ILE 126 11.425 -12.037 -0.455 778 HD11 ILE 126 3HD1 ILE 126 13.232 -11.559 -1.776 779 HD12 ILE 126 1HD1 ILE 126 13.959 -10.197 -2.643 780 HD13 ILE 126 2HD1 ILE 126 14.554 -10.642 -1.029 Start of MODEL 16 1 H1 GLY 1 H GLY 1 18.421 -17.816 15.090 2 HA2 GLY 1 1HA GLY 1 19.602 -15.509 13.665 3 HA3 GLY 1 2HA GLY 1 18.683 -16.807 12.870 4 H ALA 2 H ALA 2 16.837 -15.667 12.147 5 HA ALA 2 HA ALA 2 14.870 -15.139 14.180 6 HB1 ALA 2 1HB ALA 2 14.300 -12.873 13.309 7 HB2 ALA 2 2HB ALA 2 15.910 -12.896 14.045 8 HB3 ALA 2 3HB ALA 2 15.744 -12.914 12.275 9 H SER 3 H SER 3 12.704 -15.145 13.137 10 HA SER 3 HA SER 3 12.512 -15.120 10.287 11 HB3 SER 3 2HB SER 3 12.918 -17.385 10.197 12 HG SER 3 HG SER 3 11.991 -18.874 11.718 13 H ASP 4 H ASP 4 10.307 -14.781 9.666 14 HA ASP 4 HA ASP 4 8.196 -14.394 11.579 15 HB3 ASP 4 2HB ASP 4 9.402 -12.448 12.242 16 H PHE 5 H PHE 5 6.396 -14.786 10.371 17 HA PHE 5 HA PHE 5 6.295 -14.300 7.529 18 HB3 PHE 5 2HB PHE 5 7.459 -16.276 7.546 19 HD1 PHE 5 1HD PHE 5 7.967 -16.802 9.902 20 HD2 PHE 5 2HD PHE 5 4.466 -18.142 7.939 21 HE1 PHE 5 1HE PHE 5 7.740 -18.640 11.649 22 HE2 PHE 5 2HE PHE 5 4.216 -20.035 9.581 23 HZ PHE 5 HZ PHE 5 5.867 -20.257 11.458 24 H GLN 6 H GLN 6 4.545 -13.156 7.448 25 HA GLN 6 HA GLN 6 2.148 -13.853 9.070 26 HB3 GLN 6 2HB GLN 6 2.055 -11.154 8.930 27 HG3 GLN 6 2HG GLN 6 3.449 -11.300 11.169 28 HE21 GLN 6 1HE2 GLN 6 1.856 -10.541 12.556 29 HE22 GLN 6 2HE2 GLN 6 0.177 -11.078 12.474 30 H THR 7 H THR 7 0.746 -14.569 7.746 31 HA THR 7 HA THR 7 -0.249 -12.827 5.570 32 HB THR 7 HB THR 7 -0.851 -15.090 4.356 33 HG1 THR 7 1HG THR 7 0.025 -16.523 5.933 34 HG21 THR 7 3HG2 THR 7 1.271 -14.978 3.102 35 HG22 THR 7 1HG2 THR 7 1.993 -13.984 4.374 36 HG23 THR 7 2HG2 THR 7 0.628 -13.356 3.441 37 H GLY 8 H GLY 8 -2.585 -13.808 4.863 38 HA2 GLY 8 1HA GLY 8 -4.685 -14.561 6.085 39 HA3 GLY 8 2HA GLY 8 -4.110 -13.476 7.362 40 H ILE 9 H ILE 9 -5.085 -11.529 7.202 41 HA ILE 9 HA ILE 9 -5.988 -10.528 4.571 42 HB ILE 9 HB ILE 9 -6.920 -10.142 7.444 43 HG13 ILE 9 2HG1 ILE 9 -8.164 -11.158 4.848 44 HG21 ILE 9 1HG2 ILE 9 -6.925 -7.849 6.489 45 HG22 ILE 9 2HG2 ILE 9 -7.959 -8.416 5.160 46 HG23 ILE 9 3HG2 ILE 9 -8.538 -8.460 6.830 47 HD11 ILE 9 3HD1 ILE 9 -8.134 -12.301 7.676 48 HD12 ILE 9 1HD1 ILE 9 -9.078 -12.955 6.326 49 HD13 ILE 9 2HD1 ILE 9 -7.323 -12.980 6.245 50 H HIS 10 H HIS 10 -5.097 -8.845 3.677 51 HA HIS 10 HA HIS 10 -3.137 -7.161 5.173 52 HB3 HIS 10 2HB HIS 10 -2.439 -6.382 2.927 53 HD1 HIS 10 1HD HIS 10 -0.161 -7.460 3.852 54 HD2 HIS 10 2HD HIS 10 -2.988 -10.160 2.336 55 HE1 HIS 10 1HE HIS 10 1.074 -9.678 3.520 56 H LYS 11 H LYS 11 -3.453 -4.870 5.110 57 HA LYS 11 HA LYS 11 -5.788 -3.765 3.778 58 HB3 LYS 11 2HB LYS 11 -5.571 -4.005 6.808 59 HG3 LYS 11 2HG LYS 11 -7.049 -1.943 5.176 60 HD3 LYS 11 2HD LYS 11 -7.976 -2.929 7.882 61 HE3 LYS 11 2HE LYS 11 -8.451 -0.561 6.076 62 HZ1 LYS 11 3HZ LYS 11 -10.517 -0.151 7.294 63 HZ2 LYS 11 1HZ LYS 11 -10.492 -1.695 7.866 64 HZ3 LYS 11 2HZ LYS 11 -10.620 -1.397 6.245 65 H ILE 12 H ILE 12 -5.690 -1.513 3.653 66 HA ILE 12 HA ILE 12 -3.220 -0.105 4.499 67 HB ILE 12 HB ILE 12 -4.505 -0.411 1.771 68 HG13 ILE 12 2HG1 ILE 12 -2.358 -0.955 0.963 69 HG21 ILE 12 1HG2 ILE 12 -3.136 1.485 0.926 70 HG22 ILE 12 2HG2 ILE 12 -4.507 1.940 1.935 71 HG23 ILE 12 3HG2 ILE 12 -2.866 1.992 2.604 72 HD11 ILE 12 3HD1 ILE 12 -0.298 -0.945 2.308 73 HD12 ILE 12 1HD1 ILE 12 -0.901 0.686 2.021 74 HD13 ILE 12 2HD1 ILE 12 -1.140 -0.082 3.610 75 H VAL 13 H VAL 13 -3.601 2.089 4.979 76 HA VAL 13 HA VAL 13 -6.353 3.141 4.940 77 HB VAL 13 HB VAL 13 -4.507 2.979 7.374 78 HG11 VAL 13 1HG1 VAL 13 -5.679 5.154 7.293 79 HG12 VAL 13 2HG1 VAL 13 -7.229 4.299 7.125 80 HG13 VAL 13 3HG1 VAL 13 -6.273 4.142 8.613 81 HG21 VAL 13 3HG2 VAL 13 -6.384 1.764 8.459 82 HG22 VAL 13 1HG2 VAL 13 -7.267 1.760 6.918 83 HG23 VAL 13 2HG2 VAL 13 -5.742 0.860 7.088 84 H ILE 14 H ILE 14 -6.241 5.324 4.292 85 HA ILE 14 HA ILE 14 -3.505 6.527 4.129 86 HB ILE 14 HB ILE 14 -5.699 6.532 2.011 87 HG13 ILE 14 2HG1 ILE 14 -4.455 4.299 2.259 88 HG21 ILE 14 1HG2 ILE 14 -3.895 7.580 0.571 89 HG22 ILE 14 2HG2 ILE 14 -4.426 8.595 1.901 90 HG23 ILE 14 3HG2 ILE 14 -2.889 7.706 2.032 91 HD11 ILE 14 3HD1 ILE 14 -3.887 5.527 -0.427 92 HD12 ILE 14 1HD1 ILE 14 -4.344 3.868 0.008 93 HD13 ILE 14 2HD1 ILE 14 -5.549 5.147 0.112 94 H GLN 15 H GLN 15 -3.522 8.852 4.365 95 HA GLN 15 HA GLN 15 -6.129 10.100 4.879 96 HB3 GLN 15 2HB GLN 15 -5.425 11.003 7.027 97 HG3 GLN 15 2HG GLN 15 -4.638 8.058 7.038 98 HE21 GLN 15 1HE2 GLN 15 -5.961 7.488 9.458 99 HE22 GLN 15 2HE2 GLN 15 -4.839 8.071 10.695 100 H GLN 16 H GLN 16 -5.969 12.417 4.950 101 HA GLN 16 HA GLN 16 -3.363 13.619 4.469 102 HB3 GLN 16 2HB GLN 16 -3.976 13.061 2.233 103 HG3 GLN 16 2HG GLN 16 -6.293 14.983 2.293 104 HE21 GLN 16 1HE2 GLN 16 -7.493 14.871 0.425 105 HE22 GLN 16 2HE2 GLN 16 -6.990 13.965 -1.017 106 H SER 17 H SER 17 -3.323 15.924 4.617 107 HA SER 17 HA SER 17 -5.763 17.312 5.234 108 HB3 SER 17 2HB SER 17 -4.904 18.364 7.274 109 HG SER 17 HG SER 17 -3.889 15.989 8.075 110 H GLY 18 H GLY 18 -5.071 19.864 5.343 111 HA2 GLY 18 1HA GLY 18 -3.547 21.556 4.795 112 HA3 GLY 18 2HA GLY 18 -2.634 20.456 3.766 113 H ASP 19 H ASP 19 -2.800 21.866 1.971 114 HA ASP 19 HA ASP 19 -5.328 22.810 0.838 115 HB3 ASP 19 2HB ASP 19 -3.891 23.505 -1.077 116 H THR 20 H THR 20 -5.754 20.352 1.212 117 HA THR 20 HA THR 20 -5.185 18.295 -0.619 118 HB THR 20 HB THR 20 -7.502 17.541 0.371 119 HG1 THR 20 1HG THR 20 -6.960 19.577 2.271 120 HG21 THR 20 3HG2 THR 20 -5.384 16.738 1.274 121 HG22 THR 20 1HG2 THR 20 -6.464 17.169 2.628 122 HG23 THR 20 2HG2 THR 20 -5.132 18.248 2.163 123 H ASP 21 H ASP 21 -7.570 20.913 -0.694 124 HA ASP 21 HA ASP 21 -9.187 20.063 -2.849 125 HB3 ASP 21 2HB ASP 21 -9.322 22.684 -3.189 126 H SER 22 H SER 22 -5.909 21.348 -2.843 127 HA SER 22 HA SER 22 -5.930 22.001 -5.708 128 HB3 SER 22 2HB SER 22 -3.644 22.834 -5.062 129 HG SER 22 HG SER 22 -6.065 23.817 -4.217 130 H PHE 23 H PHE 23 -5.475 19.076 -4.034 131 HA PHE 23 HA PHE 23 -3.144 18.310 -5.740 132 HB3 PHE 23 2HB PHE 23 -3.791 17.765 -2.888 133 HD1 PHE 23 1HD PHE 23 -2.120 15.997 -5.732 134 HD2 PHE 23 2HD PHE 23 -2.489 16.349 -1.496 135 HE1 PHE 23 1HE PHE 23 -1.222 13.841 -5.522 136 HE2 PHE 23 2HE PHE 23 -1.266 14.159 -1.268 137 HZ PHE 23 HZ PHE 23 -0.686 12.878 -3.249 138 H GLU 24 H GLU 24 -3.335 16.901 -7.035 139 HA GLU 24 HA GLU 24 -5.581 15.025 -7.425 140 HB3 GLU 24 2HB GLU 24 -3.798 14.604 -9.472 141 HG3 GLU 24 2HG GLU 24 -5.040 16.395 -10.725 142 H VAL 25 H VAL 25 -4.998 13.949 -5.436 143 HA VAL 25 HA VAL 25 -2.605 12.345 -5.245 144 HB VAL 25 HB VAL 25 -5.178 11.744 -3.747 145 HG11 VAL 25 1HG1 VAL 25 -2.221 11.342 -3.138 146 HG12 VAL 25 2HG1 VAL 25 -3.519 11.087 -1.957 147 HG13 VAL 25 3HG1 VAL 25 -3.451 10.125 -3.439 148 HG21 VAL 25 3HG2 VAL 25 -3.892 14.276 -3.500 149 HG22 VAL 25 1HG2 VAL 25 -5.343 13.648 -2.739 150 HG23 VAL 25 2HG2 VAL 25 -3.775 13.382 -1.980 151 H SER 26 H SER 26 -2.388 11.116 -7.136 152 HA SER 26 HA SER 26 -4.572 9.191 -7.662 153 HB3 SER 26 2HB SER 26 -3.904 10.069 -9.676 154 HG SER 26 HG SER 26 -1.215 10.036 -8.680 155 H VAL 27 H VAL 27 -4.336 7.194 -6.948 156 HA VAL 27 HA VAL 27 -1.593 6.180 -6.343 157 HB VAL 27 HB VAL 27 -3.763 5.324 -4.512 158 HG11 VAL 27 1HG1 VAL 27 -0.864 5.793 -3.894 159 HG12 VAL 27 2HG1 VAL 27 -2.068 5.019 -2.878 160 HG13 VAL 27 3HG1 VAL 27 -1.584 4.248 -4.397 161 HG21 VAL 27 3HG2 VAL 27 -2.435 8.011 -4.170 162 HG22 VAL 27 1HG2 VAL 27 -4.170 7.646 -4.250 163 HG23 VAL 27 2HG2 VAL 27 -3.237 7.130 -2.832 164 H SER 28 H SER 28 -1.471 3.831 -6.531 165 HA SER 28 HA SER 28 -3.720 2.619 -8.068 166 HB3 SER 28 2HB SER 28 -1.931 1.253 -9.016 167 HG SER 28 HG SER 28 -1.082 3.965 -9.194 168 H ILE 29 H ILE 29 -4.316 0.398 -7.448 169 HA ILE 29 HA ILE 29 -3.137 -0.519 -4.864 170 HB ILE 29 HB ILE 29 -6.027 -0.426 -5.796 171 HG13 ILE 29 2HG1 ILE 29 -4.814 1.539 -4.535 172 HG21 ILE 29 1HG2 ILE 29 -6.715 -1.666 -3.830 173 HG22 ILE 29 2HG2 ILE 29 -5.570 -2.660 -4.706 174 HG23 ILE 29 3HG2 ILE 29 -5.031 -1.811 -3.261 175 HD11 ILE 29 3HD1 ILE 29 -7.340 0.419 -3.280 176 HD12 ILE 29 1HD1 ILE 29 -6.683 2.045 -3.054 177 HD13 ILE 29 2HD1 ILE 29 -7.242 1.551 -4.657 178 H GLY 30 H GLY 30 -3.091 -2.873 -4.623 179 HA2 GLY 30 1HA GLY 30 -3.956 -4.706 -6.479 180 HA3 GLY 30 2HA GLY 30 -2.272 -4.338 -6.920 181 H GLY 31 H GLY 31 -2.502 -6.843 -6.242 182 HA2 GLY 31 1HA GLY 31 -0.839 -7.315 -4.057 183 HA3 GLY 31 2HA GLY 31 -2.503 -7.674 -3.563 184 H ALA 32 H ALA 32 -0.715 -9.870 -3.782 185 HA ALA 32 HA ALA 32 -2.004 -11.377 -5.958 186 HB1 ALA 32 1HB ALA 32 0.978 -11.666 -5.591 187 HB2 ALA 32 2HB ALA 32 -0.036 -12.201 -6.932 188 HB3 ALA 32 3HB ALA 32 0.316 -10.474 -6.757 189 H ASP 33 H ASP 33 -1.632 -13.664 -5.750 190 HA ASP 33 HA ASP 33 -1.173 -14.721 -2.988 191 HB3 ASP 33 2HB ASP 33 -3.406 -15.199 -4.909 192 H LYS 34 H LYS 34 -1.546 -17.287 -3.291 193 HA LYS 34 HA LYS 34 0.338 -18.300 -5.285 194 HB3 LYS 34 2HB LYS 34 -1.221 -19.801 -3.116 195 HG3 LYS 34 2HG LYS 34 0.911 -20.628 -5.069 196 HD3 LYS 34 2HD LYS 34 1.693 -21.029 -2.686 197 HE3 LYS 34 2HE LYS 34 -0.669 -21.934 -1.942 198 HZ1 LYS 34 3HZ LYS 34 -0.622 -24.368 -1.972 199 HZ2 LYS 34 1HZ LYS 34 0.588 -24.397 -3.043 200 HZ3 LYS 34 2HZ LYS 34 -0.890 -23.791 -3.475 201 H GLY 35 H GLY 35 -1.065 -17.450 -6.971 202 HA2 GLY 35 1HA GLY 35 -2.174 -19.396 -8.499 203 HA3 GLY 35 2HA GLY 35 -3.546 -18.924 -7.505 204 H GLY 36 H GLY 36 -1.928 -16.014 -7.773 205 HA2 GLY 36 1HA GLY 36 -2.086 -14.905 -10.184 206 HA3 GLY 36 2HA GLY 36 -3.790 -15.273 -9.890 207 HA PRO 37 HA PRO 37 -2.993 -11.102 -7.949 208 HB3 PRO 37 2HB PRO 37 -3.854 -10.121 -9.815 209 HG3 PRO 37 2HG PRO 37 -5.611 -11.152 -11.106 210 HD3 PRO 37 2HD PRO 37 -3.723 -12.580 -11.067 211 H ALA 38 H ALA 38 -4.071 -10.103 -6.263 212 HA ALA 38 HA ALA 38 -5.952 -11.707 -4.633 213 HB1 ALA 38 1HB ALA 38 -3.972 -10.701 -3.580 214 HB2 ALA 38 2HB ALA 38 -4.501 -9.082 -4.107 215 HB3 ALA 38 3HB ALA 38 -5.489 -9.990 -2.952 216 H LYS 39 H LYS 39 -8.159 -11.329 -4.965 217 HA LYS 39 HA LYS 39 -9.110 -8.963 -6.366 218 HB3 LYS 39 2HB LYS 39 -11.315 -9.511 -5.585 219 HG3 LYS 39 2HG LYS 39 -9.876 -12.067 -6.372 220 HD3 LYS 39 2HD LYS 39 -12.764 -11.128 -6.692 221 HE3 LYS 39 2HE LYS 39 -11.131 -13.147 -8.190 222 HZ1 LYS 39 3HZ LYS 39 -14.038 -13.188 -7.851 223 HZ2 LYS 39 1HZ LYS 39 -12.954 -14.437 -7.618 224 HZ3 LYS 39 2HZ LYS 39 -13.257 -13.858 -9.139 225 H LEU 40 H LEU 40 -10.239 -7.136 -5.468 226 HA LEU 40 HA LEU 40 -9.311 -6.379 -2.751 227 HB3 LEU 40 2HB LEU 40 -8.817 -4.230 -3.731 228 HG LEU 40 HG LEU 40 -7.537 -6.454 -5.334 229 HD11 LEU 40 1HD1 LEU 40 -6.114 -4.729 -6.385 230 HD12 LEU 40 2HD1 LEU 40 -7.234 -3.477 -5.767 231 HD13 LEU 40 3HD1 LEU 40 -7.788 -4.698 -6.908 232 HD21 LEU 40 3HD2 LEU 40 -6.790 -6.224 -3.084 233 HD22 LEU 40 1HD2 LEU 40 -6.555 -4.461 -3.249 234 HD23 LEU 40 2HD2 LEU 40 -5.512 -5.609 -4.140 235 H TYR 41 H TYR 41 -10.511 -4.539 -1.865 236 HA TYR 41 HA TYR 41 -13.288 -4.257 -2.867 237 HB3 TYR 41 2HB TYR 41 -14.118 -4.557 -0.580 238 HD1 TYR 41 1HD TYR 41 -11.276 -6.980 -0.804 239 HD2 TYR 41 2HD TYR 41 -15.430 -6.256 -1.684 240 HE1 TYR 41 1HE TYR 41 -11.610 -9.368 -1.359 241 HE2 TYR 41 2HE TYR 41 -15.799 -8.679 -2.017 242 HH TYR 41 HH TYR 41 -14.543 -10.772 -0.874 243 H ASN 42 H ASN 42 -14.378 -2.494 -1.872 244 HA ASN 42 HA ASN 42 -12.544 -0.204 -1.378 245 HB3 ASN 42 2HB ASN 42 -14.538 -0.229 -3.173 246 HD21 ASN 42 1HD2 ASN 42 -16.234 -1.726 -2.150 247 HD22 ASN 42 2HD2 ASN 42 -17.662 -0.822 -1.724 248 H ASP 43 H ASP 43 -13.904 1.541 -0.056 249 HA ASP 43 HA ASP 43 -13.619 0.774 2.698 250 HB3 ASP 43 2HB ASP 43 -14.516 3.285 1.396 251 H LYS 44 H LYS 44 -16.259 0.264 0.679 252 HA LYS 44 HA LYS 44 -18.143 0.074 2.995 253 HB3 LYS 44 2HB LYS 44 -19.917 -0.111 1.352 254 HG3 LYS 44 2HG LYS 44 -18.612 2.345 0.302 255 HD3 LYS 44 2HD LYS 44 -21.121 1.817 1.958 256 HE3 LYS 44 2HE LYS 44 -20.548 4.172 0.116 257 HZ1 LYS 44 3HZ LYS 44 -22.178 5.165 1.713 258 HZ2 LYS 44 1HZ LYS 44 -22.555 3.692 2.243 259 HZ3 LYS 44 2HZ LYS 44 -22.876 4.092 0.669 260 H GLY 45 H GLY 45 -15.961 -1.820 1.294 261 HA2 GLY 45 1HA GLY 45 -15.612 -4.062 1.470 262 HA3 GLY 45 2HA GLY 45 -17.200 -4.270 2.223 263 H GLU 46 H GLU 46 -17.501 -2.568 -0.709 264 HA GLU 46 HA GLU 46 -18.724 -4.851 -2.054 265 HB3 GLU 46 2HB GLU 46 -19.520 -2.402 -1.972 266 HG3 GLU 46 2HG GLU 46 -18.686 -2.349 -4.815 267 H TYR 47 H TYR 47 -18.030 -5.842 -3.935 268 HA TYR 47 HA TYR 47 -15.197 -6.294 -4.219 269 HB3 TYR 47 2HB TYR 47 -16.615 -7.347 -6.437 270 HD1 TYR 47 2HD TYR 47 -14.052 -8.095 -5.261 271 HD2 TYR 47 1HD TYR 47 -18.050 -9.567 -4.467 272 HE1 TYR 47 2HE TYR 47 -13.145 -10.236 -4.599 273 HE2 TYR 47 1HE TYR 47 -17.107 -11.798 -3.919 274 HH TYR 47 HH TYR 47 -13.968 -12.344 -3.166 275 H ILE 48 H ILE 48 -13.821 -5.082 -5.499 276 HA ILE 48 HA ILE 48 -15.056 -3.618 -7.808 277 HB ILE 48 HB ILE 48 -13.732 -1.613 -7.252 278 HG13 ILE 48 2HG1 ILE 48 -12.213 -2.916 -5.570 279 HG21 ILE 48 1HG2 ILE 48 -15.772 -2.387 -5.133 280 HG22 ILE 48 2HG2 ILE 48 -15.382 -0.750 -5.654 281 HG23 ILE 48 3HG2 ILE 48 -16.182 -1.857 -6.768 282 HD11 ILE 48 3HD1 ILE 48 -11.983 -0.837 -4.161 283 HD12 ILE 48 1HD1 ILE 48 -11.929 -0.535 -5.912 284 HD13 ILE 48 2HD1 ILE 48 -13.374 -0.148 -4.988 285 H GLY 49 H GLY 49 -12.838 -5.942 -7.329 286 HA2 GLY 49 1HA GLY 49 -12.188 -6.478 -9.732 287 HA3 GLY 49 2HA GLY 49 -11.244 -4.983 -9.674 288 H ASP 50 H ASP 50 -9.406 -6.381 -10.135 289 HA ASP 50 HA ASP 50 -8.123 -6.935 -7.534 290 HB3 ASP 50 2HB ASP 50 -8.447 -9.150 -8.510 291 H SER 51 H SER 51 -8.253 -5.028 -10.335 292 HA SER 51 HA SER 51 -5.609 -3.890 -9.696 293 HB3 SER 51 2HB SER 51 -5.210 -5.563 -11.341 294 HG SER 51 HG SER 51 -6.392 -4.559 -13.502 295 H TYR 52 H TYR 52 -5.879 -1.687 -9.526 296 HA TYR 52 HA TYR 52 -7.232 -0.145 -11.451 297 HB3 TYR 52 2HB TYR 52 -9.348 -0.835 -10.584 298 HD1 TYR 52 1HD TYR 52 -8.279 0.955 -7.514 299 HD2 TYR 52 2HD TYR 52 -9.441 -2.866 -9.186 300 HE1 TYR 52 1HE TYR 52 -8.829 0.164 -5.280 301 HE2 TYR 52 2HE TYR 52 -10.137 -3.638 -6.924 302 HH TYR 52 HH TYR 52 -9.773 -1.499 -4.025 303 H SER 53 H SER 53 -7.627 2.158 -10.345 304 HA SER 53 HA SER 53 -5.660 2.743 -8.258 305 HB3 SER 53 2HB SER 53 -4.420 3.100 -10.257 306 HG SER 53 HG SER 53 -5.117 4.262 -11.939 307 H ALA 54 H ALA 54 -6.588 3.783 -6.712 308 HA ALA 54 HA ALA 54 -9.163 5.147 -7.144 309 HB1 ALA 54 1HB ALA 54 -9.187 3.199 -5.588 310 HB2 ALA 54 2HB ALA 54 -7.998 4.024 -4.564 311 HB3 ALA 54 3HB ALA 54 -9.585 4.733 -4.799 312 H GLN 55 H GLN 55 -8.818 7.239 -7.443 313 HA GLN 55 HA GLN 55 -6.634 8.791 -6.398 314 HB3 GLN 55 2HB GLN 55 -9.457 9.550 -7.294 315 HG3 GLN 55 2HG GLN 55 -7.068 11.330 -7.751 316 HE21 GLN 55 1HE2 GLN 55 -7.710 13.354 -8.538 317 HE22 GLN 55 2HE2 GLN 55 -9.350 13.887 -8.702 318 H ILE 56 H ILE 56 -6.636 10.155 -4.571 319 HA ILE 56 HA ILE 56 -8.645 9.360 -2.462 320 HB ILE 56 HB ILE 56 -6.201 11.045 -1.947 321 HG13 ILE 56 2HG1 ILE 56 -4.869 9.246 -1.472 322 HG21 ILE 56 1HG2 ILE 56 -6.511 10.198 0.400 323 HG22 ILE 56 2HG2 ILE 56 -7.822 11.230 -0.170 324 HG23 ILE 56 3HG2 ILE 56 -8.055 9.471 -0.098 325 HD11 ILE 56 3HD1 ILE 56 -7.308 7.421 -1.519 326 HD12 ILE 56 1HD1 ILE 56 -5.631 6.853 -1.488 327 HD13 ILE 56 2HD1 ILE 56 -6.278 7.784 -0.110 328 H ARG 57 H ARG 57 -10.290 10.633 -1.974 329 HA ARG 57 HA ARG 57 -10.157 13.568 -2.321 330 HB3 ARG 57 2HB ARG 57 -12.168 13.721 -3.460 331 HG3 ARG 57 2HG ARG 57 -10.254 12.566 -4.891 332 HD3 ARG 57 2HD ARG 57 -11.755 10.266 -4.086 333 HE ARG 57 HE ARG 57 -12.127 10.743 -6.981 334 HH11 ARG 57 1HH1 ARG 57 -13.839 9.969 -3.895 335 HH12 ARG 57 2HH1 ARG 57 -15.370 9.884 -4.671 336 HH21 ARG 57 1HH2 ARG 57 -14.119 10.758 -7.875 337 HH22 ARG 57 2HH2 ARG 57 -15.573 10.406 -6.979 338 H THR 58 H THR 58 -10.043 11.739 0.073 339 HA THR 58 HA THR 58 -12.365 12.883 1.520 340 HB THR 58 HB THR 58 -12.134 10.827 3.001 341 HG1 THR 58 1HG THR 58 -10.919 9.230 2.389 342 HG21 THR 58 3HG2 THR 58 -13.333 9.281 1.485 343 HG22 THR 58 1HG2 THR 58 -12.896 10.320 0.109 344 HG23 THR 58 2HG2 THR 58 -13.953 10.942 1.392 345 H ALA 59 H ALA 59 -11.759 12.853 3.996 346 HA ALA 59 HA ALA 59 -9.052 13.947 4.380 347 HB1 ALA 59 1HB ALA 59 -10.896 14.824 5.726 348 HB2 ALA 59 2HB ALA 59 -11.227 13.205 6.367 349 HB3 ALA 59 3HB ALA 59 -9.697 14.021 6.750 350 H THR 60 H THR 60 -10.799 10.805 5.054 351 HA THR 60 HA THR 60 -8.154 9.494 5.156 352 HB THR 60 HB THR 60 -8.961 8.095 6.988 353 HG1 THR 60 1HG THR 60 -10.799 8.650 8.127 354 HG21 THR 60 3HG2 THR 60 -9.286 10.980 7.860 355 HG22 THR 60 1HG2 THR 60 -7.726 10.311 7.392 356 HG23 THR 60 2HG2 THR 60 -8.592 9.617 8.770 357 H MET 61 H MET 61 -8.176 7.292 4.568 358 HA MET 61 HA MET 61 -10.621 6.148 3.341 359 HB3 MET 61 2HB MET 61 -8.417 5.334 1.731 360 HG3 MET 61 2HG MET 61 -9.482 6.817 0.051 361 HE1 MET 61 3HE MET 61 -10.775 3.237 -0.342 362 HE2 MET 61 1HE MET 61 -9.774 4.557 -1.000 363 HE3 MET 61 2HE MET 61 -9.353 3.832 0.559 364 H SER 62 H SER 62 -10.184 3.864 2.706 365 HA SER 62 HA SER 62 -8.068 2.462 3.955 366 HB3 SER 62 2HB SER 62 -9.730 2.721 5.889 367 HG SER 62 HG SER 62 -11.715 2.172 4.740 368 H CYS 63 H CYS 63 -7.862 0.277 3.106 369 HA CYS 63 HA CYS 63 -9.894 -0.707 1.208 370 HB3 CYS 63 2HB CYS 63 -8.110 -1.158 -0.513 371 HG CYS 63 HG CYS 63 -9.447 1.539 0.285 372 H CYS 64 H CYS 64 -9.798 -3.023 1.107 373 HA CYS 64 HA CYS 64 -7.326 -4.283 2.169 374 HB3 CYS 64 2HB CYS 64 -8.779 -4.285 4.097 375 HG CYS 64 HG CYS 64 -10.946 -5.666 4.419 376 H THR 65 H THR 65 -7.487 -6.765 1.802 377 HA THR 65 HA THR 65 -8.395 -7.130 -1.012 378 HB THR 65 HB THR 65 -6.543 -8.547 -1.378 379 HG1 THR 65 1HG THR 65 -6.302 -9.786 0.400 380 HG21 THR 65 3HG2 THR 65 -5.957 -6.057 -1.113 381 HG22 THR 65 1HG2 THR 65 -4.604 -7.191 -0.952 382 HG23 THR 65 2HG2 THR 65 -5.343 -6.455 0.485 383 H ASN 66 H ASN 66 -8.952 -9.417 -1.531 384 HA ASN 66 HA ASN 66 -10.599 -10.768 0.469 385 HB3 ASN 66 2HB ASN 66 -10.711 -11.128 -2.126 386 HD21 ASN 66 1HD2 ASN 66 -8.080 -10.792 -2.646 387 HD22 ASN 66 2HD2 ASN 66 -7.227 -12.338 -2.781 388 H GLY 67 H GLY 67 -9.980 -13.022 1.049 389 HA2 GLY 67 1HA GLY 67 -7.660 -12.753 2.753 390 HA3 GLY 67 2HA GLY 67 -8.696 -14.163 2.686 391 H ASN 68 H ASN 68 -8.062 -14.379 -0.405 392 HA ASN 68 HA ASN 68 -5.463 -15.770 -0.197 393 HB3 ASN 68 2HB ASN 68 -5.952 -15.820 -2.830 394 HD21 ASN 68 1HD2 ASN 68 -4.886 -17.655 -1.283 395 HD22 ASN 68 2HD2 ASN 68 -5.921 -19.069 -1.109 396 H ALA 69 H ALA 69 -4.115 -14.013 0.416 397 HA ALA 69 HA ALA 69 -2.814 -13.153 -1.914 398 HB1 ALA 69 1HB ALA 69 -2.787 -10.744 -1.609 399 HB2 ALA 69 2HB ALA 69 -4.505 -11.153 -1.337 400 HB3 ALA 69 3HB ALA 69 -3.437 -10.853 0.028 401 H PHE 70 H PHE 70 -0.829 -11.962 -1.295 402 HA PHE 70 HA PHE 70 0.376 -12.800 1.303 403 HB3 PHE 70 2HB PHE 70 2.414 -13.229 -0.108 404 HD1 PHE 70 1HD PHE 70 -0.025 -14.870 1.213 405 HD2 PHE 70 2HD PHE 70 1.828 -14.861 -2.680 406 HE1 PHE 70 1HE PHE 70 -0.517 -17.243 1.008 407 HE2 PHE 70 2HE PHE 70 1.402 -17.284 -2.852 408 HZ PHE 70 HZ PHE 70 0.198 -18.497 -0.991 409 H PHE 71 H PHE 71 -0.251 -10.166 -0.773 410 HA PHE 71 HA PHE 71 0.958 -8.439 1.056 411 HB3 PHE 71 2HB PHE 71 2.990 -8.941 -0.429 412 HD1 PHE 71 1HD PHE 71 2.233 -10.180 -2.525 413 HD2 PHE 71 2HD PHE 71 2.162 -5.893 -2.122 414 HE1 PHE 71 1HE PHE 71 2.141 -9.923 -5.014 415 HE2 PHE 71 2HE PHE 71 1.992 -5.651 -4.597 416 HZ PHE 71 HZ PHE 71 1.994 -7.674 -6.031 417 H MET 72 H MET 72 0.456 -6.161 0.344 418 HA MET 72 HA MET 72 -1.495 -5.855 -1.823 419 HB3 MET 72 2HB MET 72 -1.633 -4.554 0.941 420 HG3 MET 72 2HG MET 72 -3.741 -4.797 -1.231 421 HE1 MET 72 3HE MET 72 -5.281 -2.398 -0.975 422 HE2 MET 72 1HE MET 72 -6.183 -3.907 -0.744 423 HE3 MET 72 2HE MET 72 -6.399 -2.561 0.398 424 H THR 73 H THR 73 -1.219 -3.617 -2.721 425 HA THR 73 HA THR 73 1.120 -2.128 -1.669 426 HB THR 73 HB THR 73 1.903 -3.410 -3.596 427 HG1 THR 73 1HG THR 73 2.907 -1.755 -4.460 428 HG21 THR 73 3HG2 THR 73 -0.133 -3.656 -4.945 429 HG22 THR 73 1HG2 THR 73 1.116 -2.847 -5.890 430 HG23 THR 73 2HG2 THR 73 -0.212 -1.897 -5.208 431 H CYS 74 H CYS 74 1.143 0.071 -2.328 432 HA CYS 74 HA CYS 74 -1.280 1.237 -3.359 433 HB3 CYS 74 2HB CYS 74 -0.524 2.455 -0.725 434 HG CYS 74 HG CYS 74 -2.624 2.557 -3.032 435 H ALA 75 H ALA 75 1.240 1.112 -4.506 436 HA ALA 75 HA ALA 75 2.848 3.469 -4.017 437 HB1 ALA 75 1HB ALA 75 2.603 1.648 -6.441 438 HB2 ALA 75 2HB ALA 75 3.856 2.883 -6.199 439 HB3 ALA 75 3HB ALA 75 3.777 1.480 -5.118 440 H GLY 76 H GLY 76 2.669 5.628 -4.903 441 HA2 GLY 76 1HA GLY 76 0.538 6.103 -6.843 442 HA3 GLY 76 2HA GLY 76 0.368 6.795 -5.219 443 H SER 77 H SER 77 0.341 8.656 -6.935 444 HA SER 77 HA SER 77 3.047 9.796 -7.069 445 HB3 SER 77 2HB SER 77 3.094 10.016 -9.244 446 HG SER 77 HG SER 77 1.958 8.524 -10.475 447 H VAL 78 H VAL 78 3.073 11.912 -6.544 448 HA VAL 78 HA VAL 78 0.510 13.127 -5.823 449 HB VAL 78 HB VAL 78 3.345 13.880 -5.073 450 HG11 VAL 78 1HG1 VAL 78 2.303 15.594 -3.551 451 HG12 VAL 78 2HG1 VAL 78 2.168 15.973 -5.275 452 HG13 VAL 78 3HG1 VAL 78 0.755 15.368 -4.401 453 HG21 VAL 78 3HG2 VAL 78 1.238 12.229 -3.851 454 HG22 VAL 78 1HG2 VAL 78 2.954 12.309 -3.533 455 HG23 VAL 78 2HG2 VAL 78 1.835 13.460 -2.773 456 H SER 79 H SER 79 -0.212 15.048 -6.922 457 HA SER 79 HA SER 79 2.032 16.581 -8.031 458 HB3 SER 79 2HB SER 79 -0.344 15.690 -9.771 459 HG SER 79 HG SER 79 0.042 17.571 -10.598 460 H SER 80 H SER 80 1.415 18.733 -8.601 461 HA SER 80 HA SER 80 -1.255 19.548 -8.091 462 HB3 SER 80 2HB SER 80 0.789 20.804 -6.198 463 HG SER 80 HG SER 80 -2.076 20.960 -6.276 464 H ILE 81 H ILE 81 -1.752 21.328 -9.177 465 HA ILE 81 HA ILE 81 0.354 22.811 -10.686 466 HB ILE 81 HB ILE 81 -1.474 23.109 -12.380 467 HG13 ILE 81 2HG1 ILE 81 -3.296 22.371 -10.607 468 HG21 ILE 81 1HG2 ILE 81 -1.231 20.841 -13.385 469 HG22 ILE 81 2HG2 ILE 81 0.270 21.548 -12.840 470 HG23 ILE 81 3HG2 ILE 81 -0.497 20.275 -11.877 471 HD11 ILE 81 3HD1 ILE 81 -3.871 22.999 -12.879 472 HD12 ILE 81 1HD1 ILE 81 -3.448 21.369 -13.469 473 HD13 ILE 81 2HD1 ILE 81 -4.792 21.586 -12.328 474 H SER 82 H SER 82 -0.911 23.222 -7.978 475 HA SER 82 HA SER 82 -2.611 25.598 -8.258 476 HB3 SER 82 2HB SER 82 -3.174 24.076 -6.526 477 HG SER 82 HG SER 82 -1.272 23.056 -5.913 478 H GLU 83 H GLU 83 -2.009 27.393 -6.666 479 HA GLU 83 HA GLU 83 0.387 28.616 -7.626 480 HB3 GLU 83 2HB GLU 83 -0.236 30.513 -6.274 481 HG3 GLU 83 2HG GLU 83 -2.761 29.154 -7.335 482 H ALA 84 H ALA 84 2.011 29.540 -6.187 483 HA ALA 84 HA ALA 84 3.426 27.812 -4.502 484 HB1 ALA 84 1HB ALA 84 3.490 30.862 -4.548 485 HB2 ALA 84 2HB ALA 84 4.784 29.794 -3.984 486 HB3 ALA 84 3HB ALA 84 4.343 29.823 -5.704 487 H GLY 85 H GLY 85 3.918 27.911 -2.254 488 HA2 GLY 85 1HA GLY 85 3.758 28.516 -0.059 489 HA3 GLY 85 2HA GLY 85 2.451 29.640 -0.431 490 H LYS 86 H LYS 86 1.401 26.897 -1.855 491 HA LYS 86 HA LYS 86 -0.551 26.246 0.190 492 HB3 LYS 86 2HB LYS 86 -1.350 24.614 -1.486 493 HG3 LYS 86 2HG LYS 86 -1.415 26.032 -3.630 494 HD3 LYS 86 2HD LYS 86 -2.516 28.106 -2.333 495 HE3 LYS 86 2HE LYS 86 -3.579 25.282 -2.642 496 HZ1 LYS 86 3HZ LYS 86 -4.825 26.346 -0.957 497 HZ2 LYS 86 1HZ LYS 86 -5.754 26.300 -2.311 498 HZ3 LYS 86 2HZ LYS 86 -5.061 27.714 -1.827 499 H ARG 87 H ARG 87 -0.752 23.953 1.037 500 HA ARG 87 HA ARG 87 1.861 22.578 1.355 501 HB3 ARG 87 2HB ARG 87 1.567 24.401 3.039 502 HG3 ARG 87 2HG ARG 87 -0.448 22.654 4.450 503 HD3 ARG 87 2HD ARG 87 0.283 25.618 4.539 504 HE ARG 87 HE ARG 87 -2.137 24.646 5.204 505 HH11 ARG 87 1HH1 ARG 87 0.508 25.989 7.085 506 HH12 ARG 87 2HH1 ARG 87 -0.437 26.382 8.480 507 HH21 ARG 87 1HH2 ARG 87 -3.391 24.872 7.089 508 HH22 ARG 87 2HH2 ARG 87 -2.713 25.626 8.518 509 H LEU 88 H LEU 88 1.477 20.410 2.844 510 HA LEU 88 HA LEU 88 -1.221 19.406 2.794 511 HB3 LEU 88 2HB LEU 88 0.871 17.963 1.172 512 HG LEU 88 HG LEU 88 -1.505 17.062 2.153 513 HD11 LEU 88 1HD1 LEU 88 -2.313 18.385 -0.446 514 HD12 LEU 88 2HD1 LEU 88 -2.853 18.828 1.181 515 HD13 LEU 88 3HD1 LEU 88 -3.280 17.242 0.534 516 HD21 LEU 88 3HD2 LEU 88 -0.350 16.431 -0.525 517 HD22 LEU 88 1HD2 LEU 88 -1.589 15.478 0.358 518 HD23 LEU 88 2HD2 LEU 88 0.046 15.712 1.039 519 H HIS 89 H HIS 89 -1.195 17.310 4.004 520 HA HIS 89 HA HIS 89 1.443 16.251 4.735 521 HB3 HIS 89 2HB HIS 89 -0.760 16.809 6.748 522 HD1 HIS 89 1HD HIS 89 2.679 17.225 7.992 523 HD2 HIS 89 2HD HIS 89 -0.017 13.988 7.380 524 HE1 HIS 89 1HE HIS 89 3.438 15.318 9.509 525 H ILE 90 H ILE 90 1.320 14.153 4.112 526 HA ILE 90 HA ILE 90 -1.332 12.764 3.954 527 HB ILE 90 HB ILE 90 1.195 12.567 2.304 528 HG13 ILE 90 2HG1 ILE 90 -0.023 13.392 0.636 529 HG21 ILE 90 1HG2 ILE 90 -0.861 10.346 2.554 530 HG22 ILE 90 2HG2 ILE 90 0.307 10.486 1.223 531 HG23 ILE 90 3HG2 ILE 90 0.883 10.269 2.866 532 HD11 ILE 90 3HD1 ILE 90 -1.394 11.612 -0.053 533 HD12 ILE 90 1HD1 ILE 90 -2.390 11.670 1.429 534 HD13 ILE 90 2HD1 ILE 90 -2.495 12.962 0.227 535 H THR 91 H THR 91 -1.478 10.780 4.918 536 HA THR 91 HA THR 91 0.891 9.689 6.335 537 HB THR 91 HB THR 91 -1.950 9.893 7.357 538 HG1 THR 91 1HG THR 91 -1.043 11.819 7.494 539 HG21 THR 91 3HG2 THR 91 -1.093 9.016 9.475 540 HG22 THR 91 1HG2 THR 91 0.528 8.857 8.772 541 HG23 THR 91 2HG2 THR 91 -0.818 7.848 8.179 542 H VAL 92 H VAL 92 1.137 7.507 5.986 543 HA VAL 92 HA VAL 92 -0.921 5.946 4.580 544 HB VAL 92 HB VAL 92 1.284 5.097 3.281 545 HG11 VAL 92 1HG1 VAL 92 -0.521 7.389 2.399 546 HG12 VAL 92 2HG1 VAL 92 0.492 6.394 1.315 547 HG13 VAL 92 3HG1 VAL 92 -0.824 5.635 2.219 548 HG21 VAL 92 3HG2 VAL 92 2.728 6.935 4.141 549 HG22 VAL 92 1HG2 VAL 92 2.616 6.887 2.367 550 HG23 VAL 92 2HG2 VAL 92 1.721 8.106 3.289 551 H ILE 93 H ILE 93 -1.264 4.239 5.830 552 HA ILE 93 HA ILE 93 1.024 2.987 7.259 553 HB ILE 93 HB ILE 93 -1.707 3.729 8.372 554 HG13 ILE 93 2HG1 ILE 93 -0.042 5.621 8.223 555 HG21 ILE 93 1HG2 ILE 93 -0.958 2.761 10.509 556 HG22 ILE 93 2HG2 ILE 93 -0.956 1.531 9.265 557 HG23 ILE 93 3HG2 ILE 93 0.578 2.269 9.769 558 HD11 ILE 93 3HD1 ILE 93 0.017 6.421 10.478 559 HD12 ILE 93 1HD1 ILE 93 -1.585 5.801 10.100 560 HD13 ILE 93 2HD1 ILE 93 -0.458 4.848 11.114 561 H GLY 94 H GLY 94 0.718 0.681 7.571 562 HA2 GLY 94 1HA GLY 94 -1.385 -0.593 5.897 563 HA3 GLY 94 2HA GLY 94 0.326 -0.894 5.560 564 H TYR 95 H TYR 95 -1.740 -2.785 6.346 565 HA TYR 95 HA TYR 95 -0.865 -3.613 9.048 566 HB3 TYR 95 2HB TYR 95 -3.285 -4.126 9.466 567 HD1 TYR 95 2HD TYR 95 -3.542 -0.974 7.540 568 HD2 TYR 95 1HD TYR 95 -2.819 -2.748 11.407 569 HE1 TYR 95 2HE TYR 95 -3.769 1.253 8.608 570 HE2 TYR 95 1HE TYR 95 -3.070 -0.518 12.478 571 HH TYR 95 HH TYR 95 -4.030 2.396 10.640 572 H ILE 96 H ILE 96 -1.109 -5.817 9.552 573 HA ILE 96 HA ILE 96 -2.060 -7.715 7.519 574 HB ILE 96 HB ILE 96 0.727 -7.916 8.740 575 HG13 ILE 96 2HG1 ILE 96 0.725 -6.236 6.943 576 HG21 ILE 96 1HG2 ILE 96 -0.395 -10.111 8.428 577 HG22 ILE 96 2HG2 ILE 96 -0.691 -9.693 6.713 578 HG23 ILE 96 3HG2 ILE 96 0.950 -9.937 7.315 579 HD11 ILE 96 3HD1 ILE 96 1.867 -8.674 5.597 580 HD12 ILE 96 1HD1 ILE 96 2.474 -7.002 5.657 581 HD13 ILE 96 2HD1 ILE 96 2.594 -8.021 7.094 582 H ASP 97 H ASP 97 -3.004 -9.472 8.652 583 HA ASP 97 HA ASP 97 -4.214 -10.302 10.327 584 HB3 ASP 97 2HB ASP 97 -1.471 -10.716 11.548 585 H ASP 98 H ASP 98 -4.755 -7.810 10.813 586 HA ASP 98 HA ASP 98 -5.431 -6.290 12.372 587 HB3 ASP 98 2HB ASP 98 -5.258 -8.674 14.244 588 H LYS 99 H LYS 99 -2.416 -6.679 11.938 589 HA LYS 99 HA LYS 99 -1.565 -5.001 14.249 590 HB3 LYS 99 2HB LYS 99 0.737 -5.865 13.756 591 HG3 LYS 99 2HG LYS 99 0.506 -8.068 14.735 592 HD3 LYS 99 2HD LYS 99 -1.047 -7.753 16.683 593 HE3 LYS 99 2HE LYS 99 0.035 -5.347 17.297 594 HZ1 LYS 99 3HZ LYS 99 2.088 -6.644 17.854 595 HZ2 LYS 99 1HZ LYS 99 1.394 -7.965 17.196 596 HZ3 LYS 99 2HZ LYS 99 0.705 -7.230 18.505 597 H GLU 100 H GLU 100 0.076 -3.597 13.801 598 HA GLU 100 HA GLU 100 -0.178 -2.176 11.161 599 HB3 GLU 100 2HB GLU 100 0.865 -1.188 13.862 600 HG3 GLU 100 2HG GLU 100 -0.026 0.642 11.641 601 H VAL 101 H VAL 101 1.559 -2.534 9.782 602 HA VAL 101 HA VAL 101 4.148 -3.431 11.019 603 HB VAL 101 HB VAL 101 4.371 -5.010 9.225 604 HG11 VAL 101 1HG1 VAL 101 3.181 -5.746 11.261 605 HG12 VAL 101 2HG1 VAL 101 1.618 -5.337 10.507 606 HG13 VAL 101 3HG1 VAL 101 2.637 -6.606 9.804 607 HG21 VAL 101 3HG2 VAL 101 3.099 -3.751 7.454 608 HG22 VAL 101 1HG2 VAL 101 2.720 -5.457 7.570 609 HG23 VAL 101 2HG2 VAL 101 1.587 -4.255 8.243 610 H ASN 102 H ASN 102 2.905 -0.835 9.280 611 HA ASN 102 HA ASN 102 5.491 -0.114 8.135 612 HB3 ASN 102 2HB ASN 102 3.058 -0.590 6.381 613 HD21 ASN 102 1HD2 ASN 102 5.482 -1.686 4.544 614 HD22 ASN 102 2HD2 ASN 102 5.949 -0.230 3.779 615 H ARG 103 H ARG 103 5.509 2.184 8.086 616 HA ARG 103 HA ARG 103 3.055 3.734 7.966 617 HB3 ARG 103 2HB ARG 103 2.702 3.301 10.265 618 HG3 ARG 103 2HG ARG 103 5.705 3.136 10.570 619 HD3 ARG 103 2HD ARG 103 5.361 4.608 12.360 620 HE ARG 103 HE ARG 103 2.966 3.144 13.342 621 HH11 ARG 103 1HH1 ARG 103 4.322 6.220 12.111 622 HH12 ARG 103 2HH1 ARG 103 2.921 7.154 12.531 623 HH21 ARG 103 1HH2 ARG 103 1.215 4.447 14.036 624 HH22 ARG 103 2HH2 ARG 103 1.079 6.104 13.627 625 H LEU 104 H LEU 104 3.540 5.419 6.736 626 HA LEU 104 HA LEU 104 5.749 7.053 7.738 627 HB3 LEU 104 2HB LEU 104 6.754 5.711 5.986 628 HG LEU 104 HG LEU 104 4.535 5.804 4.483 629 HD11 LEU 104 1HD1 LEU 104 6.318 7.931 3.217 630 HD12 LEU 104 2HD1 LEU 104 4.754 8.276 3.966 631 HD13 LEU 104 3HD1 LEU 104 4.856 7.260 2.514 632 HD21 LEU 104 3HD2 LEU 104 6.459 4.338 4.098 633 HD22 LEU 104 1HD2 LEU 104 7.398 5.687 3.428 634 HD23 LEU 104 2HD2 LEU 104 5.970 5.080 2.566 635 H GLU 105 H GLU 105 5.689 9.283 6.754 636 HA GLU 105 HA GLU 105 3.046 10.181 5.936 637 HB3 GLU 105 2HB GLU 105 3.767 12.237 7.425 638 HG3 GLU 105 2HG GLU 105 2.567 9.659 8.221 639 H LYS 106 H LYS 106 3.296 12.420 5.011 640 HA LYS 106 HA LYS 106 5.945 13.135 4.105 641 HB3 LYS 106 2HB LYS 106 3.909 12.985 1.888 642 HG3 LYS 106 2HG LYS 106 6.395 13.951 1.808 643 HD3 LYS 106 2HD LYS 106 7.410 11.825 2.793 644 HE3 LYS 106 2HE LYS 106 6.605 10.820 0.022 645 HZ1 LYS 106 3HZ LYS 106 8.202 9.426 2.076 646 HZ2 LYS 106 1HZ LYS 106 8.854 10.164 0.748 647 HZ3 LYS 106 2HZ LYS 106 7.864 8.886 0.540 648 H GLU 107 H GLU 107 5.828 15.298 2.979 649 HA GLU 107 HA GLU 107 3.493 16.948 3.712 650 HB3 GLU 107 2HB GLU 107 6.310 17.542 4.662 651 HG3 GLU 107 2HG GLU 107 3.653 18.818 5.069 652 H TYR 108 H TYR 108 3.245 18.308 1.886 653 HA TYR 108 HA TYR 108 5.678 18.763 0.244 654 HB3 TYR 108 2HB TYR 108 4.346 18.664 -1.768 655 HD1 TYR 108 1HD TYR 108 5.854 16.676 -1.991 656 HD2 TYR 108 2HD TYR 108 2.069 16.461 0.018 657 HE1 TYR 108 1HE TYR 108 5.902 14.193 -2.197 658 HE2 TYR 108 2HE TYR 108 2.117 13.973 -0.116 659 HH TYR 108 HH TYR 108 3.215 12.117 -1.021 660 H ILE 109 H ILE 109 5.728 20.896 -0.817 661 HA ILE 109 HA ILE 109 3.625 22.780 -0.111 662 HB ILE 109 HB ILE 109 6.574 23.115 0.544 663 HG13 ILE 109 2HG1 ILE 109 5.290 21.989 2.291 664 HG21 ILE 109 1HG2 ILE 109 5.830 25.206 -0.496 665 HG22 ILE 109 2HG2 ILE 109 4.465 25.314 0.644 666 HG23 ILE 109 3HG2 ILE 109 6.157 25.449 1.188 667 HD11 ILE 109 3HD1 ILE 109 7.079 23.693 2.924 668 HD12 ILE 109 1HD1 ILE 109 5.730 24.792 3.319 669 HD13 ILE 109 2HD1 ILE 109 5.897 23.244 4.160 670 H THR 110 H THR 110 3.571 24.589 -1.699 671 HA THR 110 HA THR 110 4.926 23.935 -4.251 672 HB THR 110 HB THR 110 3.242 25.745 -5.088 673 HG1 THR 110 1HG THR 110 1.547 26.094 -3.871 674 HG21 THR 110 3HG2 THR 110 1.385 24.123 -5.227 675 HG22 THR 110 1HG2 THR 110 2.123 23.120 -3.956 676 HG23 THR 110 2HG2 THR 110 2.928 23.309 -5.536 677 H ASP 111 H ASP 111 6.096 25.532 -5.359 678 HA ASP 111 HA ASP 111 6.519 28.161 -4.044 679 HB3 ASP 111 2HB ASP 111 8.810 26.722 -5.424 680 H GLY 112 H GLY 112 4.965 26.828 -6.483 681 HA2 GLY 112 1HA GLY 112 3.972 28.308 -8.038 682 HA3 GLY 112 2HA GLY 112 5.535 29.078 -8.346 683 H ASN 113 H ASN 113 6.730 26.259 -8.229 684 HA ASN 113 HA ASN 113 6.560 25.643 -11.092 685 HB3 ASN 113 2HB ASN 113 8.543 24.614 -10.812 686 HD21 ASN 113 1HD2 ASN 113 9.367 26.687 -10.124 687 HD22 ASN 113 2HD2 ASN 113 9.816 27.007 -8.473 688 H THR 114 H THR 114 6.089 23.320 -11.803 689 HA THR 114 HA THR 114 3.589 22.479 -10.726 690 HB THR 114 HB THR 114 4.516 20.464 -12.421 691 HG1 THR 114 1HG THR 114 5.607 21.344 -14.015 692 HG21 THR 114 3HG2 THR 114 3.163 23.126 -13.138 693 HG22 THR 114 1HG2 THR 114 2.361 21.712 -12.499 694 HG23 THR 114 2HG2 THR 114 3.099 21.624 -14.101 695 H LEU 115 H LEU 115 3.406 21.515 -8.833 696 HA LEU 115 HA LEU 115 5.493 20.036 -7.462 697 HB3 LEU 115 2HB LEU 115 2.524 20.410 -7.127 698 HG LEU 115 HG LEU 115 2.929 18.022 -6.475 699 HD11 LEU 115 1HD1 LEU 115 4.319 17.421 -4.789 700 HD12 LEU 115 2HD1 LEU 115 4.559 19.137 -4.243 701 HD13 LEU 115 3HD1 LEU 115 5.335 18.541 -5.720 702 HD21 LEU 115 3HD2 LEU 115 1.225 18.570 -5.161 703 HD22 LEU 115 1HD2 LEU 115 2.078 19.970 -4.399 704 HD23 LEU 115 2HD2 LEU 115 2.409 18.288 -3.917 705 H ILE 116 H ILE 116 5.797 17.866 -7.331 706 HA ILE 116 HA ILE 116 4.102 15.950 -8.457 707 HB ILE 116 HB ILE 116 6.694 16.536 -9.968 708 HG13 ILE 116 2HG1 ILE 116 4.937 17.650 -10.959 709 HG21 ILE 116 1HG2 ILE 116 6.299 14.327 -11.086 710 HG22 ILE 116 2HG2 ILE 116 6.782 14.159 -9.420 711 HG23 ILE 116 3HG2 ILE 116 5.072 13.959 -9.878 712 HD11 ILE 116 3HD1 ILE 116 4.657 15.041 -12.476 713 HD12 ILE 116 1HD1 ILE 116 4.401 16.684 -13.064 714 HD13 ILE 116 2HD1 ILE 116 6.042 16.148 -12.669 715 H GLU 117 H GLU 117 4.704 13.987 -7.561 716 HA GLU 117 HA GLU 117 7.291 13.439 -6.597 717 HB3 GLU 117 2HB GLU 117 5.926 12.947 -4.152 718 HG3 GLU 117 2HG GLU 117 7.591 14.868 -3.464 719 H THR 118 H THR 118 7.194 11.140 -5.382 720 HA THR 118 HA THR 118 4.729 9.604 -5.984 721 HB THR 118 HB THR 118 6.164 7.612 -6.531 722 HG1 THR 118 1HG THR 118 8.063 9.640 -7.075 723 HG21 THR 118 3HG2 THR 118 4.814 8.736 -8.248 724 HG22 THR 118 1HG2 THR 118 6.312 8.068 -8.891 725 HG23 THR 118 2HG2 THR 118 6.176 9.823 -8.618 726 H PHE 119 H PHE 119 4.537 7.768 -4.693 727 HA PHE 119 HA PHE 119 6.286 7.525 -2.357 728 HB3 PHE 119 2HB PHE 119 4.745 9.280 -1.623 729 HD1 PHE 119 2HD PHE 119 3.110 9.875 -3.595 730 HD2 PHE 119 1HD PHE 119 2.343 6.814 -0.659 731 HE1 PHE 119 2HE PHE 119 0.647 10.014 -4.068 732 HE2 PHE 119 1HE PHE 119 -0.089 6.953 -1.162 733 HZ PHE 119 HZ PHE 119 -0.921 8.595 -2.796 734 H SER 120 H SER 120 5.584 5.516 -1.026 735 HA SER 120 HA SER 120 3.723 3.729 -2.232 736 HB3 SER 120 2HB SER 120 5.254 3.218 -3.936 737 HG SER 120 HG SER 120 7.570 2.749 -2.732 738 H VAL 121 H VAL 121 3.157 2.140 -0.951 739 HA VAL 121 HA VAL 121 4.711 1.291 1.376 740 HB VAL 121 HB VAL 121 1.961 2.606 1.363 741 HG11 VAL 121 1HG1 VAL 121 3.073 0.879 3.570 742 HG12 VAL 121 2HG1 VAL 121 1.644 1.932 3.681 743 HG13 VAL 121 3HG1 VAL 121 1.609 0.555 2.574 744 HG21 VAL 121 3HG2 VAL 121 3.805 4.119 1.874 745 HG22 VAL 121 1HG2 VAL 121 3.026 3.744 3.411 746 HG23 VAL 121 2HG2 VAL 121 4.526 2.932 2.991 747 H SER 122 H SER 122 4.987 -0.808 0.829 748 HA SER 122 HA SER 122 2.731 -2.373 -0.290 749 HB3 SER 122 2HB SER 122 4.265 -3.600 -1.398 750 HG SER 122 HG SER 122 6.614 -2.696 -0.903 751 H THR 123 H THR 123 1.938 -4.137 1.070 752 HA THR 123 HA THR 123 2.935 -4.061 3.867 753 HB THR 123 HB THR 123 0.972 -5.484 4.335 754 HG1 THR 123 1HG THR 123 1.079 -6.578 2.426 755 HG21 THR 123 3HG2 THR 123 0.110 -3.161 2.567 756 HG22 THR 123 1HG2 THR 123 0.373 -3.121 4.332 757 HG23 THR 123 2HG2 THR 123 -0.939 -4.084 3.661 758 H LYS 124 H LYS 124 4.929 -5.013 2.123 759 HA LYS 124 HA LYS 124 5.599 -7.353 3.385 760 HB3 LYS 124 2HB LYS 124 5.532 -8.126 0.482 761 HG3 LYS 124 2HG LYS 124 4.602 -9.716 2.870 762 HD3 LYS 124 2HD LYS 124 6.458 -10.671 0.668 763 HE3 LYS 124 2HE LYS 124 5.375 -12.849 1.230 764 HZ1 LYS 124 3HZ LYS 124 6.409 -11.472 3.648 765 HZ2 LYS 124 1HZ LYS 124 7.304 -12.387 2.632 766 HZ3 LYS 124 2HZ LYS 124 6.134 -13.073 3.537 767 H GLU 125 H GLU 125 7.773 -7.767 3.008 768 HA GLU 125 HA GLU 125 9.235 -6.246 0.922 769 HB3 GLU 125 2HB GLU 125 11.262 -6.931 2.335 770 HG3 GLU 125 2HG GLU 125 9.181 -4.945 3.354 771 H ILE 126 H ILE 126 10.169 -7.560 -0.610 772 HA ILE 126 HA ILE 126 9.741 -10.461 -0.453 773 HB ILE 126 HB ILE 126 10.097 -8.710 -2.921 774 HG13 ILE 126 2HG1 ILE 126 7.408 -9.492 -1.680 775 HG21 ILE 126 1HG2 ILE 126 8.982 -10.655 -4.041 776 HG22 ILE 126 2HG2 ILE 126 10.488 -11.082 -3.261 777 HG23 ILE 126 3HG2 ILE 126 8.936 -11.508 -2.493 778 HD11 ILE 126 3HD1 ILE 126 6.876 -7.051 -2.381 779 HD12 ILE 126 1HD1 ILE 126 7.755 -7.270 -0.871 780 HD13 ILE 126 2HD1 ILE 126 8.639 -6.785 -2.346 Start of MODEL 17 1 H1 GLY 1 H GLY 1 12.271 -18.803 -1.201 2 HA2 GLY 1 1HA GLY 1 12.869 -19.666 0.995 3 HA3 GLY 1 2HA GLY 1 14.468 -18.926 0.785 4 H ALA 2 H ALA 2 12.127 -18.507 2.743 5 HA ALA 2 HA ALA 2 12.086 -15.572 2.726 6 HB1 ALA 2 1HB ALA 2 9.634 -15.499 2.862 7 HB2 ALA 2 2HB ALA 2 10.114 -16.258 1.343 8 HB3 ALA 2 3HB ALA 2 9.534 -17.264 2.686 9 H SER 3 H SER 3 11.006 -14.791 4.726 10 HA SER 3 HA SER 3 11.111 -16.602 7.103 11 HB3 SER 3 2HB SER 3 12.281 -14.650 8.241 12 HG SER 3 HG SER 3 14.310 -14.965 7.054 13 H ASP 4 H ASP 4 8.687 -16.025 5.937 14 HA ASP 4 HA ASP 4 7.821 -13.329 6.807 15 HB3 ASP 4 2HB ASP 4 8.835 -13.754 4.516 16 H PHE 5 H PHE 5 6.957 -15.479 8.197 17 HA PHE 5 HA PHE 5 4.821 -16.847 6.887 18 HB3 PHE 5 2HB PHE 5 5.314 -17.239 9.824 19 HD1 PHE 5 1HD PHE 5 3.330 -18.468 7.404 20 HD2 PHE 5 2HD PHE 5 6.826 -19.779 9.584 21 HE1 PHE 5 1HE PHE 5 2.632 -20.801 7.126 22 HE2 PHE 5 2HE PHE 5 6.074 -22.117 9.355 23 HZ PHE 5 HZ PHE 5 3.962 -22.636 8.135 24 H GLN 6 H GLN 6 4.292 -14.096 7.631 25 HA GLN 6 HA GLN 6 1.819 -14.136 9.242 26 HB3 GLN 6 2HB GLN 6 3.154 -12.728 10.437 27 HG3 GLN 6 2HG GLN 6 4.449 -11.844 7.845 28 HE21 GLN 6 1HE2 GLN 6 4.292 -9.515 8.117 29 HE22 GLN 6 2HE2 GLN 6 5.062 -8.671 9.454 30 H THR 7 H THR 7 0.228 -14.225 7.947 31 HA THR 7 HA THR 7 -0.129 -12.375 5.682 32 HB THR 7 HB THR 7 -1.306 -14.079 4.405 33 HG1 THR 7 1HG THR 7 -0.221 -16.008 6.182 34 HG21 THR 7 3HG2 THR 7 1.548 -14.948 5.002 35 HG22 THR 7 1HG2 THR 7 1.038 -13.702 3.839 36 HG23 THR 7 2HG2 THR 7 0.576 -15.398 3.591 37 H GLY 8 H GLY 8 -2.891 -13.126 5.237 38 HA2 GLY 8 1HA GLY 8 -4.491 -14.083 6.938 39 HA3 GLY 8 2HA GLY 8 -4.148 -12.662 7.908 40 H ILE 9 H ILE 9 -4.851 -10.543 7.101 41 HA ILE 9 HA ILE 9 -6.225 -10.423 4.554 42 HB ILE 9 HB ILE 9 -7.576 -9.127 6.946 43 HG13 ILE 9 2HG1 ILE 9 -8.153 -11.915 5.880 44 HG21 ILE 9 1HG2 ILE 9 -9.405 -8.944 5.273 45 HG22 ILE 9 2HG2 ILE 9 -7.932 -8.190 4.692 46 HG23 ILE 9 3HG2 ILE 9 -8.399 -9.795 4.087 47 HD11 ILE 9 3HD1 ILE 9 -8.726 -12.278 8.331 48 HD12 ILE 9 1HD1 ILE 9 -7.013 -11.960 8.090 49 HD13 ILE 9 2HD1 ILE 9 -8.069 -10.666 8.675 50 H HIS 10 H HIS 10 -5.015 -8.863 3.579 51 HA HIS 10 HA HIS 10 -3.474 -6.974 5.237 52 HB3 HIS 10 2HB HIS 10 -2.683 -6.167 3.006 53 HD1 HIS 10 1HD HIS 10 -0.230 -6.896 3.052 54 HD2 HIS 10 2HD HIS 10 -2.952 -10.067 3.586 55 HE1 HIS 10 1HE HIS 10 1.162 -8.994 3.501 56 H LYS 11 H LYS 11 -3.916 -4.793 5.347 57 HA LYS 11 HA LYS 11 -6.226 -3.667 3.877 58 HB3 LYS 11 2HB LYS 11 -7.150 -2.626 5.869 59 HG3 LYS 11 2HG LYS 11 -6.711 -5.492 6.786 60 HD3 LYS 11 2HD LYS 11 -9.161 -5.457 7.189 61 HE3 LYS 11 2HE LYS 11 -7.739 -3.154 8.573 62 HZ1 LYS 11 3HZ LYS 11 -9.950 -4.775 9.667 63 HZ2 LYS 11 1HZ LYS 11 -10.211 -3.332 8.890 64 HZ3 LYS 11 2HZ LYS 11 -9.324 -3.406 10.250 65 H ILE 12 H ILE 12 -5.929 -1.222 3.656 66 HA ILE 12 HA ILE 12 -3.393 -0.268 4.745 67 HB ILE 12 HB ILE 12 -3.440 -1.088 2.246 68 HG13 ILE 12 2HG1 ILE 12 -1.927 0.711 3.616 69 HG21 ILE 12 1HG2 ILE 12 -4.932 1.532 1.872 70 HG22 ILE 12 2HG2 ILE 12 -4.007 0.723 0.623 71 HG23 ILE 12 3HG2 ILE 12 -5.407 -0.107 1.345 72 HD11 ILE 12 3HD1 ILE 12 -0.458 0.760 1.508 73 HD12 ILE 12 1HD1 ILE 12 -0.835 -0.830 2.202 74 HD13 ILE 12 2HD1 ILE 12 -1.698 -0.275 0.769 75 H VAL 13 H VAL 13 -3.494 2.044 5.140 76 HA VAL 13 HA VAL 13 -6.231 3.238 5.054 77 HB VAL 13 HB VAL 13 -4.324 3.242 7.460 78 HG11 VAL 13 1HG1 VAL 13 -5.907 5.192 7.229 79 HG12 VAL 13 2HG1 VAL 13 -7.241 4.028 7.202 80 HG13 VAL 13 3HG1 VAL 13 -6.232 4.197 8.656 81 HG21 VAL 13 3HG2 VAL 13 -6.836 1.553 7.067 82 HG22 VAL 13 1HG2 VAL 13 -5.176 0.953 7.298 83 HG23 VAL 13 2HG2 VAL 13 -5.994 1.790 8.611 84 H ILE 14 H ILE 14 -6.118 5.357 4.251 85 HA ILE 14 HA ILE 14 -3.382 6.532 3.996 86 HB ILE 14 HB ILE 14 -5.551 6.412 1.869 87 HG13 ILE 14 2HG1 ILE 14 -4.528 4.102 2.284 88 HG21 ILE 14 1HG2 ILE 14 -3.644 7.232 0.417 89 HG22 ILE 14 2HG2 ILE 14 -4.175 8.355 1.673 90 HG23 ILE 14 3HG2 ILE 14 -2.687 7.415 1.891 91 HD11 ILE 14 3HD1 ILE 14 -4.337 3.528 0.022 92 HD12 ILE 14 1HD1 ILE 14 -5.553 4.808 0.112 93 HD13 ILE 14 2HD1 ILE 14 -3.909 5.178 -0.461 94 H GLN 15 H GLN 15 -3.437 8.781 4.514 95 HA GLN 15 HA GLN 15 -6.125 10.030 4.744 96 HB3 GLN 15 2HB GLN 15 -5.721 10.753 6.992 97 HG3 GLN 15 2HG GLN 15 -5.080 7.787 6.844 98 HE21 GLN 15 1HE2 GLN 15 -4.719 6.791 8.745 99 HE22 GLN 15 2HE2 GLN 15 -5.089 7.448 10.336 100 H GLN 16 H GLN 16 -5.959 12.395 5.061 101 HA GLN 16 HA GLN 16 -3.414 13.530 4.085 102 HB3 GLN 16 2HB GLN 16 -4.875 12.921 2.104 103 HG3 GLN 16 2HG GLN 16 -6.494 15.325 3.046 104 HE21 GLN 16 1HE2 GLN 16 -8.084 13.134 1.048 105 HE22 GLN 16 2HE2 GLN 16 -7.681 13.870 -0.526 106 H SER 17 H SER 17 -3.131 15.709 4.552 107 HA SER 17 HA SER 17 -5.393 17.244 5.493 108 HB3 SER 17 2HB SER 17 -3.996 18.393 7.229 109 HG SER 17 HG SER 17 -3.553 15.800 8.067 110 H GLY 18 H GLY 18 -4.908 19.644 5.038 111 HA2 GLY 18 1HA GLY 18 -3.040 21.118 4.191 112 HA3 GLY 18 2HA GLY 18 -2.868 19.934 2.893 113 H ASP 19 H ASP 19 -3.352 21.393 1.307 114 HA ASP 19 HA ASP 19 -6.072 22.655 1.230 115 HB3 ASP 19 2HB ASP 19 -3.848 22.956 -0.813 116 H THR 20 H THR 20 -6.968 20.508 1.306 117 HA THR 20 HA THR 20 -6.156 18.416 -0.328 118 HB THR 20 HB THR 20 -8.134 17.284 0.811 119 HG1 THR 20 1HG THR 20 -9.423 19.230 1.059 120 HG21 THR 20 3HG2 THR 20 -5.798 17.506 1.814 121 HG22 THR 20 1HG2 THR 20 -7.104 17.375 3.006 122 HG23 THR 20 2HG2 THR 20 -6.370 18.927 2.677 123 H ASP 21 H ASP 21 -7.363 20.737 -1.961 124 HA ASP 21 HA ASP 21 -9.070 18.998 -3.665 125 HB3 ASP 21 2HB ASP 21 -10.109 21.580 -4.059 126 H SER 22 H SER 22 -6.284 20.858 -3.518 127 HA SER 22 HA SER 22 -6.484 21.683 -6.364 128 HB3 SER 22 2HB SER 22 -4.390 22.356 -4.274 129 HG SER 22 HG SER 22 -3.805 22.773 -6.369 130 H PHE 23 H PHE 23 -5.599 18.939 -4.843 131 HA PHE 23 HA PHE 23 -3.116 18.499 -6.454 132 HB3 PHE 23 2HB PHE 23 -2.518 16.857 -4.672 133 HD1 PHE 23 2HD PHE 23 -4.065 19.766 -2.945 134 HD2 PHE 23 1HD PHE 23 -0.486 18.133 -4.671 135 HE1 PHE 23 2HE PHE 23 -2.764 21.649 -2.021 136 HE2 PHE 23 1HE PHE 23 0.817 20.040 -3.777 137 HZ PHE 23 HZ PHE 23 -0.311 21.810 -2.439 138 H GLU 24 H GLU 24 -2.710 16.591 -7.396 139 HA GLU 24 HA GLU 24 -4.897 14.607 -7.807 140 HB3 GLU 24 2HB GLU 24 -2.149 14.825 -9.120 141 HG3 GLU 24 2HG GLU 24 -4.722 13.392 -9.917 142 H VAL 25 H VAL 25 -4.571 12.595 -6.797 143 HA VAL 25 HA VAL 25 -1.999 11.823 -5.782 144 HB VAL 25 HB VAL 25 -2.673 13.066 -3.973 145 HG11 VAL 25 1HG1 VAL 25 -4.693 13.748 -4.258 146 HG12 VAL 25 2HG1 VAL 25 -5.386 12.143 -3.971 147 HG13 VAL 25 3HG1 VAL 25 -4.541 13.061 -2.660 148 HG21 VAL 25 3HG2 VAL 25 -1.637 10.888 -3.584 149 HG22 VAL 25 1HG2 VAL 25 -2.505 11.584 -2.189 150 HG23 VAL 25 2HG2 VAL 25 -3.218 10.275 -3.155 151 H SER 26 H SER 26 -2.146 10.177 -7.343 152 HA SER 26 HA SER 26 -4.513 8.401 -7.100 153 HB3 SER 26 2HB SER 26 -4.700 9.007 -9.192 154 HG SER 26 HG SER 26 -3.169 9.918 -10.458 155 H VAL 27 H VAL 27 -4.204 6.713 -5.982 156 HA VAL 27 HA VAL 27 -1.543 5.347 -5.852 157 HB VAL 27 HB VAL 27 -2.698 3.978 -4.051 158 HG11 VAL 27 1HG1 VAL 27 -1.069 5.702 -3.569 159 HG12 VAL 27 2HG1 VAL 27 -2.307 6.975 -3.728 160 HG13 VAL 27 3HG1 VAL 27 -2.378 5.831 -2.378 161 HG21 VAL 27 3HG2 VAL 27 -5.099 4.665 -4.557 162 HG22 VAL 27 1HG2 VAL 27 -4.604 4.874 -2.878 163 HG23 VAL 27 2HG2 VAL 27 -4.704 6.284 -3.956 164 H SER 28 H SER 28 -1.126 3.601 -7.101 165 HA SER 28 HA SER 28 -3.259 2.111 -8.458 166 HB3 SER 28 2HB SER 28 -0.377 1.230 -7.970 167 HG SER 28 HG SER 28 -1.324 -0.384 -9.095 168 H ILE 29 H ILE 29 -4.293 0.324 -7.467 169 HA ILE 29 HA ILE 29 -3.273 -0.498 -4.788 170 HB ILE 29 HB ILE 29 -6.085 0.095 -5.749 171 HG13 ILE 29 2HG1 ILE 29 -4.579 1.953 -4.804 172 HG21 ILE 29 1HG2 ILE 29 -6.847 -0.780 -3.489 173 HG22 ILE 29 2HG2 ILE 29 -6.255 -2.013 -4.580 174 HG23 ILE 29 3HG2 ILE 29 -5.220 -1.449 -3.262 175 HD11 ILE 29 3HD1 ILE 29 -6.189 2.910 -3.257 176 HD12 ILE 29 1HD1 ILE 29 -6.987 2.264 -4.705 177 HD13 ILE 29 2HD1 ILE 29 -7.054 1.377 -3.165 178 H GLY 30 H GLY 30 -2.793 -2.603 -4.695 179 HA2 GLY 30 1HA GLY 30 -3.915 -4.579 -6.504 180 HA3 GLY 30 2HA GLY 30 -2.247 -4.093 -6.854 181 H GLY 31 H GLY 31 -2.440 -6.618 -6.331 182 HA2 GLY 31 1HA GLY 31 -0.745 -7.287 -4.251 183 HA3 GLY 31 2HA GLY 31 -2.386 -7.502 -3.606 184 H ALA 32 H ALA 32 -0.796 -9.777 -3.858 185 HA ALA 32 HA ALA 32 -2.137 -11.263 -6.028 186 HB1 ALA 32 1HB ALA 32 0.766 -11.758 -5.409 187 HB2 ALA 32 2HB ALA 32 -0.168 -12.312 -6.789 188 HB3 ALA 32 3HB ALA 32 0.270 -10.599 -6.691 189 H ASP 33 H ASP 33 -2.007 -13.596 -5.742 190 HA ASP 33 HA ASP 33 -1.994 -14.444 -2.928 191 HB3 ASP 33 2HB ASP 33 -4.300 -13.704 -3.874 192 H LYS 34 H LYS 34 -2.929 -17.007 -3.228 193 HA LYS 34 HA LYS 34 -0.588 -18.288 -4.362 194 HB3 LYS 34 2HB LYS 34 -2.982 -19.592 -3.027 195 HG3 LYS 34 2HG LYS 34 -0.058 -20.426 -2.990 196 HD3 LYS 34 2HD LYS 34 -1.119 -22.689 -2.680 197 HE3 LYS 34 2HE LYS 34 -1.905 -20.517 -0.709 198 HZ1 LYS 34 3HZ LYS 34 -2.626 -23.321 -0.753 199 HZ2 LYS 34 1HZ LYS 34 -3.361 -22.079 -0.009 200 HZ3 LYS 34 2HZ LYS 34 -2.009 -22.746 0.667 201 H GLY 35 H GLY 35 -1.451 -17.301 -6.492 202 HA2 GLY 35 1HA GLY 35 -1.591 -18.837 -8.562 203 HA3 GLY 35 2HA GLY 35 -3.142 -19.365 -7.901 204 H GLY 36 H GLY 36 -1.797 -16.105 -7.871 205 HA2 GLY 36 1HA GLY 36 -2.309 -14.899 -10.170 206 HA3 GLY 36 2HA GLY 36 -3.980 -15.236 -9.720 207 HA PRO 37 HA PRO 37 -3.044 -11.069 -7.856 208 HB3 PRO 37 2HB PRO 37 -3.918 -10.195 -9.808 209 HG3 PRO 37 2HG PRO 37 -5.856 -11.166 -10.859 210 HD3 PRO 37 2HD PRO 37 -4.237 -12.841 -10.911 211 H ALA 38 H ALA 38 -4.172 -10.016 -6.063 212 HA ALA 38 HA ALA 38 -6.066 -11.746 -4.551 213 HB1 ALA 38 1HB ALA 38 -5.754 -10.083 -2.743 214 HB2 ALA 38 2HB ALA 38 -4.210 -10.838 -3.210 215 HB3 ALA 38 3HB ALA 38 -4.608 -9.181 -3.754 216 H LYS 39 H LYS 39 -8.147 -10.993 -4.215 217 HA LYS 39 HA LYS 39 -9.232 -8.938 -6.034 218 HB3 LYS 39 2HB LYS 39 -11.366 -9.499 -4.858 219 HG3 LYS 39 2HG LYS 39 -9.859 -12.050 -5.612 220 HD3 LYS 39 2HD LYS 39 -12.815 -11.304 -5.661 221 HE3 LYS 39 2HE LYS 39 -11.215 -13.451 -6.992 222 HZ1 LYS 39 3HZ LYS 39 -13.200 -14.903 -6.888 223 HZ2 LYS 39 1HZ LYS 39 -13.762 -14.002 -5.609 224 HZ3 LYS 39 2HZ LYS 39 -12.330 -14.847 -5.520 225 H LEU 40 H LEU 40 -9.905 -6.836 -5.361 226 HA LEU 40 HA LEU 40 -8.877 -6.015 -2.703 227 HB3 LEU 40 2HB LEU 40 -8.300 -3.940 -3.874 228 HG LEU 40 HG LEU 40 -7.293 -6.400 -5.356 229 HD11 LEU 40 1HD1 LEU 40 -6.661 -3.545 -6.140 230 HD12 LEU 40 2HD1 LEU 40 -7.691 -4.666 -7.039 231 HD13 LEU 40 3HD1 LEU 40 -5.986 -5.045 -6.827 232 HD21 LEU 40 3HD2 LEU 40 -5.114 -5.624 -4.547 233 HD22 LEU 40 1HD2 LEU 40 -6.234 -5.926 -3.235 234 HD23 LEU 40 2HD2 LEU 40 -5.895 -4.249 -3.715 235 H TYR 41 H TYR 41 -10.104 -4.383 -1.682 236 HA TYR 41 HA TYR 41 -12.921 -4.097 -2.586 237 HB3 TYR 41 2HB TYR 41 -13.491 -4.338 -0.162 238 HD1 TYR 41 1HD TYR 41 -10.869 -6.887 -0.929 239 HD2 TYR 41 2HD TYR 41 -15.042 -5.930 -1.000 240 HE1 TYR 41 1HE TYR 41 -11.380 -9.261 -1.440 241 HE2 TYR 41 2HE TYR 41 -15.596 -8.307 -1.459 242 HH TYR 41 HH TYR 41 -14.573 -10.498 -1.028 243 H ASN 42 H ASN 42 -13.768 -2.183 -2.294 244 HA ASN 42 HA ASN 42 -12.009 0.085 -1.569 245 HB3 ASN 42 2HB ASN 42 -13.690 0.180 -3.528 246 HD21 ASN 42 1HD2 ASN 42 -15.653 -1.437 -3.033 247 HD22 ASN 42 2HD2 ASN 42 -17.077 -0.529 -2.602 248 H ASP 43 H ASP 43 -13.400 1.831 -0.256 249 HA ASP 43 HA ASP 43 -13.370 0.559 2.366 250 HB3 ASP 43 2HB ASP 43 -12.378 2.893 1.697 251 H LYS 44 H LYS 44 -15.859 0.921 0.220 252 HA LYS 44 HA LYS 44 -18.087 1.068 2.156 253 HB3 LYS 44 2HB LYS 44 -19.469 0.445 0.198 254 HG3 LYS 44 2HG LYS 44 -18.556 2.449 -1.307 255 HD3 LYS 44 2HD LYS 44 -19.708 3.126 1.416 256 HE3 LYS 44 2HE LYS 44 -20.027 4.251 -1.410 257 HZ1 LYS 44 3HZ LYS 44 -21.984 4.492 0.100 258 HZ2 LYS 44 1HZ LYS 44 -21.359 5.915 -0.442 259 HZ3 LYS 44 2HZ LYS 44 -21.054 5.420 1.092 260 H GLY 45 H GLY 45 -15.675 -1.142 1.293 261 HA2 GLY 45 1HA GLY 45 -15.259 -3.142 1.997 262 HA3 GLY 45 2HA GLY 45 -16.899 -3.357 2.666 263 H GLU 46 H GLU 46 -16.735 -2.355 -0.650 264 HA GLU 46 HA GLU 46 -17.772 -5.004 -1.511 265 HB3 GLU 46 2HB GLU 46 -18.529 -3.441 -3.501 266 HG3 GLU 46 2HG GLU 46 -20.414 -2.505 -1.897 267 H TYR 47 H TYR 47 -16.986 -6.028 -3.295 268 HA TYR 47 HA TYR 47 -14.200 -5.767 -3.897 269 HB3 TYR 47 2HB TYR 47 -16.543 -7.386 -4.929 270 HD1 TYR 47 2HD TYR 47 -12.776 -7.655 -5.049 271 HD2 TYR 47 1HD TYR 47 -16.523 -7.956 -7.145 272 HE1 TYR 47 2HE TYR 47 -11.600 -8.643 -7.017 273 HE2 TYR 47 1HE TYR 47 -15.370 -8.977 -9.089 274 HH TYR 47 HH TYR 47 -13.332 -10.426 -9.336 275 H ILE 48 H ILE 48 -13.265 -4.581 -5.450 276 HA ILE 48 HA ILE 48 -14.933 -3.522 -7.683 277 HB ILE 48 HB ILE 48 -13.564 -1.411 -7.470 278 HG13 ILE 48 2HG1 ILE 48 -12.001 -2.539 -5.657 279 HG21 ILE 48 1HG2 ILE 48 -15.977 -1.554 -6.870 280 HG22 ILE 48 2HG2 ILE 48 -15.552 -2.076 -5.234 281 HG23 ILE 48 3HG2 ILE 48 -15.137 -0.445 -5.778 282 HD11 ILE 48 3HD1 ILE 48 -13.041 0.332 -5.658 283 HD12 ILE 48 1HD1 ILE 48 -11.642 -0.190 -4.717 284 HD13 ILE 48 2HD1 ILE 48 -11.634 -0.317 -6.495 285 H GLY 49 H GLY 49 -12.911 -5.798 -7.369 286 HA2 GLY 49 1HA GLY 49 -12.117 -6.651 -9.517 287 HA3 GLY 49 2HA GLY 49 -11.361 -5.081 -9.825 288 H ASP 50 H ASP 50 -9.566 -6.748 -10.142 289 HA ASP 50 HA ASP 50 -8.015 -6.992 -7.609 290 HB3 ASP 50 2HB ASP 50 -8.674 -9.175 -8.417 291 H SER 51 H SER 51 -8.244 -4.974 -10.152 292 HA SER 51 HA SER 51 -5.928 -3.836 -9.018 293 HB3 SER 51 2HB SER 51 -4.840 -4.965 -10.786 294 HG SER 51 HG SER 51 -5.255 -4.018 -12.989 295 H TYR 52 H TYR 52 -5.890 -1.540 -9.410 296 HA TYR 52 HA TYR 52 -7.356 -0.155 -11.335 297 HB3 TYR 52 2HB TYR 52 -9.433 -0.702 -10.252 298 HD1 TYR 52 1HD TYR 52 -8.194 1.319 -7.399 299 HD2 TYR 52 2HD TYR 52 -9.352 -2.634 -8.691 300 HE1 TYR 52 1HE TYR 52 -8.653 0.723 -5.078 301 HE2 TYR 52 2HE TYR 52 -10.002 -3.199 -6.429 302 HH TYR 52 HH TYR 52 -9.501 -0.961 -3.616 303 H SER 53 H SER 53 -7.589 2.281 -10.319 304 HA SER 53 HA SER 53 -5.768 2.646 -8.061 305 HB3 SER 53 2HB SER 53 -4.453 3.445 -9.928 306 HG SER 53 HG SER 53 -5.276 4.399 -11.547 307 H ALA 54 H ALA 54 -6.253 4.614 -6.905 308 HA ALA 54 HA ALA 54 -8.957 5.713 -7.220 309 HB1 ALA 54 1HB ALA 54 -9.457 5.396 -4.839 310 HB2 ALA 54 2HB ALA 54 -9.076 3.788 -5.506 311 HB3 ALA 54 3HB ALA 54 -7.865 4.667 -4.551 312 H GLN 55 H GLN 55 -9.065 7.832 -6.173 313 HA GLN 55 HA GLN 55 -6.357 8.993 -5.985 314 HB3 GLN 55 2HB GLN 55 -8.979 10.352 -6.672 315 HG3 GLN 55 2HG GLN 55 -6.038 11.151 -7.032 316 HE21 GLN 55 1HE2 GLN 55 -6.878 11.403 -9.415 317 HE22 GLN 55 2HE2 GLN 55 -7.437 13.002 -9.774 318 H ILE 56 H ILE 56 -5.822 10.396 -4.095 319 HA ILE 56 HA ILE 56 -7.694 9.696 -1.880 320 HB ILE 56 HB ILE 56 -5.014 11.086 -1.826 321 HG13 ILE 56 2HG1 ILE 56 -4.113 8.914 -1.231 322 HG21 ILE 56 1HG2 ILE 56 -5.022 10.366 0.578 323 HG22 ILE 56 2HG2 ILE 56 -6.251 11.569 0.205 324 HG23 ILE 56 3HG2 ILE 56 -6.728 9.881 0.413 325 HD11 ILE 56 3HD1 ILE 56 -6.831 7.658 -1.841 326 HD12 ILE 56 1HD1 ILE 56 -5.326 6.808 -1.481 327 HD13 ILE 56 2HD1 ILE 56 -6.115 7.761 -0.215 328 H ARG 57 H ARG 57 -9.493 10.827 -2.626 329 HA ARG 57 HA ARG 57 -9.345 13.777 -2.136 330 HB3 ARG 57 2HB ARG 57 -11.354 13.989 -3.509 331 HG3 ARG 57 2HG ARG 57 -10.280 13.569 -5.758 332 HD3 ARG 57 2HD ARG 57 -8.017 14.745 -5.265 333 HE ARG 57 HE ARG 57 -9.927 16.479 -3.973 334 HH11 ARG 57 1HH1 ARG 57 -8.988 15.041 -7.139 335 HH12 ARG 57 2HH1 ARG 57 -9.913 16.208 -8.031 336 HH21 ARG 57 1HH2 ARG 57 -11.103 18.076 -5.319 337 HH22 ARG 57 2HH2 ARG 57 -11.114 17.773 -7.042 338 H THR 58 H THR 58 -9.451 11.844 -0.142 339 HA THR 58 HA THR 58 -11.880 12.866 1.085 340 HB THR 58 HB THR 58 -12.037 10.400 2.099 341 HG1 THR 58 1HG THR 58 -11.514 8.960 0.185 342 HG21 THR 58 3HG2 THR 58 -13.698 11.560 0.611 343 HG22 THR 58 1HG2 THR 58 -13.633 9.803 0.397 344 HG23 THR 58 2HG2 THR 58 -12.857 10.874 -0.799 345 H ALA 59 H ALA 59 -11.587 13.128 3.347 346 HA ALA 59 HA ALA 59 -9.040 13.878 4.275 347 HB1 ALA 59 1HB ALA 59 -11.581 13.031 5.757 348 HB2 ALA 59 2HB ALA 59 -10.186 13.757 6.551 349 HB3 ALA 59 3HB ALA 59 -11.083 14.687 5.326 350 H THR 60 H THR 60 -10.750 10.772 4.431 351 HA THR 60 HA THR 60 -8.331 9.387 5.359 352 HB THR 60 HB THR 60 -9.816 8.101 6.947 353 HG1 THR 60 1HG THR 60 -11.841 8.530 6.480 354 HG21 THR 60 3HG2 THR 60 -9.596 11.052 7.597 355 HG22 THR 60 1HG2 THR 60 -8.279 9.875 7.728 356 HG23 THR 60 2HG2 THR 60 -9.716 9.711 8.748 357 H MET 61 H MET 61 -8.139 7.447 4.452 358 HA MET 61 HA MET 61 -10.281 6.225 2.822 359 HB3 MET 61 2HB MET 61 -7.687 5.813 1.591 360 HG3 MET 61 2HG MET 61 -8.785 7.327 -0.186 361 HE1 MET 61 3HE MET 61 -8.597 3.679 -1.463 362 HE2 MET 61 1HE MET 61 -7.845 5.290 -1.399 363 HE3 MET 61 2HE MET 61 -7.754 4.206 0.009 364 H SER 62 H SER 62 -9.529 4.092 2.108 365 HA SER 62 HA SER 62 -7.502 2.640 3.328 366 HB3 SER 62 2HB SER 62 -8.767 2.566 5.351 367 HG SER 62 HG SER 62 -11.084 1.464 4.582 368 H CYS 63 H CYS 63 -7.558 0.319 2.527 369 HA CYS 63 HA CYS 63 -9.856 -0.521 1.006 370 HB3 CYS 63 2HB CYS 63 -8.261 -1.524 -0.814 371 HG CYS 63 HG CYS 63 -9.346 1.509 -0.441 372 H CYS 64 H CYS 64 -9.638 -2.967 0.743 373 HA CYS 64 HA CYS 64 -7.437 -4.212 2.216 374 HB3 CYS 64 2HB CYS 64 -8.910 -3.942 4.045 375 HG CYS 64 HG CYS 64 -11.395 -4.908 4.253 376 H THR 65 H THR 65 -7.951 -6.743 2.181 377 HA THR 65 HA THR 65 -8.890 -7.433 -0.541 378 HB THR 65 HB THR 65 -6.986 -8.963 -0.674 379 HG1 THR 65 1HG THR 65 -5.256 -8.407 0.872 380 HG21 THR 65 3HG2 THR 65 -5.921 -6.230 0.119 381 HG22 THR 65 1HG2 THR 65 -6.961 -6.423 -1.300 382 HG23 THR 65 2HG2 THR 65 -5.409 -7.275 -1.234 383 H ASN 66 H ASN 66 -8.977 -10.047 -0.493 384 HA ASN 66 HA ASN 66 -10.527 -10.804 1.937 385 HB3 ASN 66 2HB ASN 66 -11.739 -11.331 -0.115 386 HD21 ASN 66 1HD2 ASN 66 -11.509 -11.792 -2.281 387 HD22 ASN 66 2HD2 ASN 66 -10.251 -12.829 -2.955 388 H GLY 67 H GLY 67 -9.918 -13.295 2.437 389 HA2 GLY 67 1HA GLY 67 -7.236 -13.069 3.377 390 HA3 GLY 67 2HA GLY 67 -8.307 -14.426 3.671 391 H ASN 68 H ASN 68 -7.700 -13.568 0.344 392 HA ASN 68 HA ASN 68 -5.713 -15.775 0.040 393 HB3 ASN 68 2HB ASN 68 -6.308 -15.778 -2.310 394 HD21 ASN 68 1HD2 ASN 68 -8.890 -15.497 -3.232 395 HD22 ASN 68 2HD2 ASN 68 -9.928 -16.675 -2.432 396 H ALA 69 H ALA 69 -3.944 -14.192 0.867 397 HA ALA 69 HA ALA 69 -2.911 -13.064 -1.555 398 HB1 ALA 69 1HB ALA 69 -2.580 -10.815 -0.905 399 HB2 ALA 69 2HB ALA 69 -4.284 -11.116 -0.532 400 HB3 ALA 69 3HB ALA 69 -3.069 -11.132 0.774 401 H PHE 70 H PHE 70 -0.747 -12.193 -1.221 402 HA PHE 70 HA PHE 70 0.591 -13.040 1.312 403 HB3 PHE 70 2HB PHE 70 2.660 -13.366 -0.074 404 HD1 PHE 70 1HD PHE 70 1.671 -15.151 1.661 405 HD2 PHE 70 2HD PHE 70 0.741 -15.055 -2.542 406 HE1 PHE 70 1HE PHE 70 0.759 -17.451 1.823 407 HE2 PHE 70 2HE PHE 70 0.027 -17.422 -2.415 408 HZ PHE 70 HZ PHE 70 -0.098 -18.589 -0.212 409 H PHE 71 H PHE 71 -0.163 -10.428 -0.897 410 HA PHE 71 HA PHE 71 1.026 -8.590 0.946 411 HB3 PHE 71 2HB PHE 71 2.931 -9.230 -0.646 412 HD1 PHE 71 1HD PHE 71 2.271 -10.484 -2.669 413 HD2 PHE 71 2HD PHE 71 2.002 -6.189 -2.396 414 HE1 PHE 71 1HE PHE 71 2.266 -10.286 -5.159 415 HE2 PHE 71 2HE PHE 71 1.846 -6.028 -4.861 416 HZ PHE 71 HZ PHE 71 1.990 -8.083 -6.250 417 H MET 72 H MET 72 0.629 -6.273 0.064 418 HA MET 72 HA MET 72 -1.383 -5.978 -2.008 419 HB3 MET 72 2HB MET 72 -1.571 -4.551 0.643 420 HG3 MET 72 2HG MET 72 -3.805 -5.060 -1.327 421 HE1 MET 72 3HE MET 72 -6.234 -2.476 0.418 422 HE2 MET 72 1HE MET 72 -5.260 -2.495 -1.069 423 HE3 MET 72 2HE MET 72 -6.286 -3.891 -0.672 424 H THR 73 H THR 73 -1.169 -3.604 -2.773 425 HA THR 73 HA THR 73 1.164 -2.145 -1.721 426 HB THR 73 HB THR 73 2.105 -3.455 -3.525 427 HG1 THR 73 1HG THR 73 2.830 -1.722 -4.810 428 HG21 THR 73 3HG2 THR 73 1.370 -3.177 -5.865 429 HG22 THR 73 1HG2 THR 73 -0.031 -2.229 -5.330 430 HG23 THR 73 2HG2 THR 73 0.130 -3.947 -4.886 431 H CYS 74 H CYS 74 1.242 0.019 -2.527 432 HA CYS 74 HA CYS 74 -1.237 1.368 -3.341 433 HB3 CYS 74 2HB CYS 74 0.042 1.780 -0.604 434 HG CYS 74 HG CYS 74 -0.742 4.012 -1.800 435 H ALA 75 H ALA 75 1.216 1.035 -4.683 436 HA ALA 75 HA ALA 75 2.987 3.316 -4.310 437 HB1 ALA 75 1HB ALA 75 3.819 1.175 -5.169 438 HB2 ALA 75 2HB ALA 75 2.692 1.260 -6.536 439 HB3 ALA 75 3HB ALA 75 4.012 2.442 -6.387 440 H GLY 76 H GLY 76 2.663 5.495 -5.120 441 HA2 GLY 76 1HA GLY 76 0.848 5.858 -7.349 442 HA3 GLY 76 2HA GLY 76 0.259 6.364 -5.746 443 H SER 77 H SER 77 0.328 8.425 -7.182 444 HA SER 77 HA SER 77 2.860 9.799 -6.534 445 HB3 SER 77 2HB SER 77 2.944 9.230 -8.863 446 HG SER 77 HG SER 77 0.847 9.178 -9.567 447 H VAL 78 H VAL 78 2.622 12.206 -6.594 448 HA VAL 78 HA VAL 78 -0.030 13.175 -5.756 449 HB VAL 78 HB VAL 78 2.609 13.767 -4.316 450 HG11 VAL 78 1HG1 VAL 78 1.124 15.731 -4.388 451 HG12 VAL 78 2HG1 VAL 78 -0.223 14.757 -3.755 452 HG13 VAL 78 3HG1 VAL 78 1.226 15.060 -2.753 453 HG21 VAL 78 3HG2 VAL 78 1.870 11.626 -3.591 454 HG22 VAL 78 1HG2 VAL 78 1.430 12.784 -2.326 455 HG23 VAL 78 2HG2 VAL 78 0.179 12.187 -3.443 456 H SER 79 H SER 79 -0.428 15.122 -6.833 457 HA SER 79 HA SER 79 1.920 16.659 -7.816 458 HB3 SER 79 2HB SER 79 1.099 16.761 -10.130 459 HG SER 79 HG SER 79 1.100 14.317 -10.510 460 H SER 80 H SER 80 1.326 18.827 -8.702 461 HA SER 80 HA SER 80 -1.374 19.750 -8.339 462 HB3 SER 80 2HB SER 80 0.324 19.865 -6.096 463 HG SER 80 HG SER 80 1.285 21.754 -6.861 464 H ILE 81 H ILE 81 -1.637 21.942 -9.128 465 HA ILE 81 HA ILE 81 0.478 22.943 -10.928 466 HB ILE 81 HB ILE 81 -1.206 23.009 -12.659 467 HG13 ILE 81 2HG1 ILE 81 -3.320 22.060 -12.653 468 HG21 ILE 81 1HG2 ILE 81 -1.355 20.604 -13.166 469 HG22 ILE 81 2HG2 ILE 81 0.251 21.063 -12.556 470 HG23 ILE 81 3HG2 ILE 81 -0.898 20.204 -11.523 471 HD11 ILE 81 3HD1 ILE 81 -3.162 20.240 -11.063 472 HD12 ILE 81 1HD1 ILE 81 -3.185 21.416 -9.716 473 HD13 ILE 81 2HD1 ILE 81 -4.574 21.286 -10.792 474 H SER 82 H SER 82 -0.233 24.095 -8.383 475 HA SER 82 HA SER 82 -1.812 26.502 -9.113 476 HB3 SER 82 2HB SER 82 -2.769 26.223 -6.742 477 HG SER 82 HG SER 82 -4.138 24.438 -7.389 478 H GLU 83 H GLU 83 -1.641 28.089 -7.251 479 HA GLU 83 HA GLU 83 0.771 29.221 -6.889 480 HB3 GLU 83 2HB GLU 83 -0.818 30.580 -6.165 481 HG3 GLU 83 2HG GLU 83 -2.020 28.287 -4.518 482 H ALA 84 H ALA 84 2.070 29.735 -5.189 483 HA ALA 84 HA ALA 84 3.140 27.609 -3.845 484 HB1 ALA 84 1HB ALA 84 4.450 29.674 -4.443 485 HB2 ALA 84 2HB ALA 84 3.467 30.604 -3.286 486 HB3 ALA 84 3HB ALA 84 4.579 29.358 -2.704 487 H GLY 85 H GLY 85 3.434 27.329 -1.498 488 HA2 GLY 85 1HA GLY 85 2.846 27.484 0.738 489 HA3 GLY 85 2HA GLY 85 1.698 28.768 0.356 490 H LYS 86 H LYS 86 0.949 26.172 -1.672 491 HA LYS 86 HA LYS 86 -1.386 25.384 -0.067 492 HB3 LYS 86 2HB LYS 86 -1.925 23.951 -1.959 493 HG3 LYS 86 2HG LYS 86 -1.965 25.599 -3.873 494 HD3 LYS 86 2HD LYS 86 -2.828 27.511 -1.879 495 HE3 LYS 86 2HE LYS 86 -4.507 25.492 -3.415 496 HZ1 LYS 86 3HZ LYS 86 -5.442 27.267 -1.829 497 HZ2 LYS 86 1HZ LYS 86 -6.113 27.109 -3.332 498 HZ3 LYS 86 2HZ LYS 86 -5.024 28.340 -3.014 499 H ARG 87 H ARG 87 -1.179 23.843 1.417 500 HA ARG 87 HA ARG 87 1.379 22.279 1.542 501 HB3 ARG 87 2HB ARG 87 0.679 21.977 3.955 502 HG3 ARG 87 2HG ARG 87 1.265 24.641 2.764 503 HD3 ARG 87 2HD ARG 87 -0.641 25.220 4.279 504 HE ARG 87 HE ARG 87 0.569 23.412 6.038 505 HH11 ARG 87 1HH1 ARG 87 -0.646 26.761 6.239 506 HH12 ARG 87 2HH1 ARG 87 -0.770 26.737 7.962 507 HH21 ARG 87 1HH2 ARG 87 0.372 23.383 8.256 508 HH22 ARG 87 2HH2 ARG 87 -0.350 24.678 9.153 509 H LEU 88 H LEU 88 1.280 19.970 2.102 510 HA LEU 88 HA LEU 88 -1.309 18.636 1.982 511 HB3 LEU 88 2HB LEU 88 0.668 17.752 -0.100 512 HG LEU 88 HG LEU 88 -1.463 18.053 -1.571 513 HD11 LEU 88 1HD1 LEU 88 -0.500 15.971 -1.528 514 HD12 LEU 88 2HD1 LEU 88 -2.214 15.693 -1.198 515 HD13 LEU 88 3HD1 LEU 88 -1.007 15.635 0.117 516 HD21 LEU 88 3HD2 LEU 88 -2.961 17.555 1.000 517 HD22 LEU 88 1HD2 LEU 88 -3.611 17.620 -0.637 518 HD23 LEU 88 2HD2 LEU 88 -2.922 19.080 0.087 519 H HIS 89 H HIS 89 -0.945 17.486 3.861 520 HA HIS 89 HA HIS 89 1.680 16.069 4.214 521 HB3 HIS 89 2HB HIS 89 -0.405 16.738 6.315 522 HD1 HIS 89 1HD HIS 89 3.117 16.902 7.445 523 HD2 HIS 89 2HD HIS 89 0.161 13.907 6.983 524 HE1 HIS 89 1HE HIS 89 3.838 14.931 8.865 525 H ILE 90 H ILE 90 1.632 13.904 3.858 526 HA ILE 90 HA ILE 90 -1.045 12.559 3.653 527 HB ILE 90 HB ILE 90 1.542 12.046 2.154 528 HG13 ILE 90 2HG1 ILE 90 0.567 12.751 0.229 529 HG21 ILE 90 1HG2 ILE 90 0.269 10.165 1.034 530 HG22 ILE 90 2HG2 ILE 90 0.678 9.865 2.716 531 HG23 ILE 90 3HG2 ILE 90 -0.973 10.336 2.293 532 HD11 ILE 90 3HD1 ILE 90 -1.866 13.240 -0.134 533 HD12 ILE 90 1HD1 ILE 90 -1.421 11.544 -0.056 534 HD13 ILE 90 2HD1 ILE 90 -2.210 12.328 1.354 535 H THR 91 H THR 91 -1.343 10.870 4.893 536 HA THR 91 HA THR 91 0.887 9.633 6.452 537 HB THR 91 HB THR 91 -2.066 9.969 7.096 538 HG1 THR 91 1HG THR 91 -1.108 11.885 7.321 539 HG21 THR 91 3HG2 THR 91 0.019 9.089 9.081 540 HG22 THR 91 1HG2 THR 91 -0.978 7.937 8.159 541 HG23 THR 91 2HG2 THR 91 -1.739 9.113 9.253 542 H VAL 92 H VAL 92 1.235 7.432 5.844 543 HA VAL 92 HA VAL 92 -0.974 5.978 4.569 544 HB VAL 92 HB VAL 92 0.930 4.821 3.280 545 HG11 VAL 92 1HG1 VAL 92 -0.956 5.876 2.197 546 HG12 VAL 92 2HG1 VAL 92 -0.195 7.477 2.332 547 HG13 VAL 92 3HG1 VAL 92 0.513 6.220 1.281 548 HG21 VAL 92 3HG2 VAL 92 2.730 6.172 2.346 549 HG22 VAL 92 1HG2 VAL 92 2.213 7.556 3.343 550 HG23 VAL 92 2HG2 VAL 92 2.846 6.086 4.109 551 H ILE 93 H ILE 93 -1.287 4.085 5.613 552 HA ILE 93 HA ILE 93 0.897 2.990 7.270 553 HB ILE 93 HB ILE 93 -1.951 3.394 8.268 554 HG13 ILE 93 2HG1 ILE 93 -0.866 5.609 8.007 555 HG21 ILE 93 1HG2 ILE 93 -0.701 1.474 9.239 556 HG22 ILE 93 2HG2 ILE 93 0.632 2.557 9.684 557 HG23 ILE 93 3HG2 ILE 93 -0.961 2.720 10.444 558 HD11 ILE 93 3HD1 ILE 93 -1.106 6.498 10.142 559 HD12 ILE 93 1HD1 ILE 93 -2.271 5.162 10.033 560 HD13 ILE 93 2HD1 ILE 93 -0.745 4.938 10.932 561 H GLY 94 H GLY 94 0.893 0.818 7.242 562 HA2 GLY 94 1HA GLY 94 -1.021 -0.527 5.346 563 HA3 GLY 94 2HA GLY 94 0.721 -0.791 5.368 564 H TYR 95 H TYR 95 -2.072 -2.271 6.163 565 HA TYR 95 HA TYR 95 -1.237 -3.173 8.807 566 HB3 TYR 95 2HB TYR 95 -3.897 -3.771 8.709 567 HD1 TYR 95 2HD TYR 95 -3.141 -0.129 8.459 568 HD2 TYR 95 1HD TYR 95 -3.616 -3.541 11.064 569 HE1 TYR 95 2HE TYR 95 -3.066 1.360 10.450 570 HE2 TYR 95 1HE TYR 95 -3.396 -2.132 13.015 571 HH TYR 95 HH TYR 95 -3.175 0.042 13.795 572 H ILE 96 H ILE 96 -1.355 -5.469 9.441 573 HA ILE 96 HA ILE 96 -2.102 -7.317 7.218 574 HB ILE 96 HB ILE 96 0.451 -7.238 8.887 575 HG13 ILE 96 2HG1 ILE 96 0.556 -5.758 6.999 576 HG21 ILE 96 1HG2 ILE 96 -0.553 -9.609 8.596 577 HG22 ILE 96 2HG2 ILE 96 -0.137 -9.417 6.866 578 HG23 ILE 96 3HG2 ILE 96 1.109 -9.345 8.124 579 HD11 ILE 96 3HD1 ILE 96 2.480 -7.477 7.260 580 HD12 ILE 96 1HD1 ILE 96 1.781 -8.181 5.763 581 HD13 ILE 96 2HD1 ILE 96 2.336 -6.505 5.788 582 H ASP 97 H ASP 97 -3.867 -8.189 8.100 583 HA ASP 97 HA ASP 97 -5.319 -9.031 9.675 584 HB3 ASP 97 2HB ASP 97 -2.781 -10.584 10.161 585 H ASP 98 H ASP 98 -5.294 -6.899 10.622 586 HA ASP 98 HA ASP 98 -5.781 -5.647 12.387 587 HB3 ASP 98 2HB ASP 98 -4.928 -7.783 14.330 588 H LYS 99 H LYS 99 -2.571 -6.374 11.747 589 HA LYS 99 HA LYS 99 -1.635 -4.372 13.817 590 HB3 LYS 99 2HB LYS 99 -0.654 -6.573 13.909 591 HG3 LYS 99 2HG LYS 99 0.496 -6.020 11.227 592 HD3 LYS 99 2HD LYS 99 2.273 -5.785 12.887 593 HE3 LYS 99 2HE LYS 99 1.253 -8.455 13.888 594 HZ1 LYS 99 3HZ LYS 99 3.616 -6.958 14.875 595 HZ2 LYS 99 1HZ LYS 99 3.714 -8.265 13.857 596 HZ3 LYS 99 2HZ LYS 99 3.081 -8.437 15.365 597 H GLU 100 H GLU 100 0.158 -2.902 13.076 598 HA GLU 100 HA GLU 100 0.023 -2.424 10.173 599 HB3 GLU 100 2HB GLU 100 -0.464 -0.548 11.955 600 HG3 GLU 100 2HG GLU 100 1.429 0.904 12.252 601 H VAL 101 H VAL 101 2.044 -2.407 9.083 602 HA VAL 101 HA VAL 101 4.438 -3.281 10.669 603 HB VAL 101 HB VAL 101 4.979 -4.896 8.952 604 HG11 VAL 101 1HG1 VAL 101 2.149 -5.400 9.990 605 HG12 VAL 101 2HG1 VAL 101 3.323 -6.613 9.454 606 HG13 VAL 101 3HG1 VAL 101 3.648 -5.643 10.895 607 HG21 VAL 101 3HG2 VAL 101 3.620 -5.439 7.125 608 HG22 VAL 101 1HG2 VAL 101 2.254 -4.417 7.685 609 HG23 VAL 101 2HG2 VAL 101 3.749 -3.703 7.053 610 H ASN 102 H ASN 102 3.320 -0.752 8.950 611 HA ASN 102 HA ASN 102 5.872 0.005 7.737 612 HB3 ASN 102 2HB ASN 102 3.428 -0.608 6.051 613 HD21 ASN 102 1HD2 ASN 102 5.530 -1.667 4.053 614 HD22 ASN 102 2HD2 ASN 102 5.992 -0.274 3.171 615 H ARG 103 H ARG 103 5.838 2.244 7.712 616 HA ARG 103 HA ARG 103 3.439 3.764 7.097 617 HB3 ARG 103 2HB ARG 103 4.520 3.748 9.955 618 HG3 ARG 103 2HG ARG 103 2.776 5.769 8.521 619 HD3 ARG 103 2HD ARG 103 1.742 4.933 10.651 620 HE ARG 103 HE ARG 103 4.306 5.384 11.778 621 HH11 ARG 103 1HH1 ARG 103 0.884 5.921 12.427 622 HH12 ARG 103 2HH1 ARG 103 0.948 5.378 14.049 623 HH21 ARG 103 1HH2 ARG 103 4.483 4.954 14.007 624 HH22 ARG 103 2HH2 ARG 103 3.124 5.136 15.083 625 H LEU 104 H LEU 104 3.988 5.449 5.984 626 HA LEU 104 HA LEU 104 6.368 6.940 6.911 627 HB3 LEU 104 2HB LEU 104 7.178 5.448 5.147 628 HG LEU 104 HG LEU 104 4.933 6.019 3.723 629 HD11 LEU 104 1HD1 LEU 104 5.969 8.334 3.262 630 HD12 LEU 104 2HD1 LEU 104 5.564 7.392 1.781 631 HD13 LEU 104 3HD1 LEU 104 7.238 7.524 2.366 632 HD21 LEU 104 3HD2 LEU 104 6.379 4.098 3.407 633 HD22 LEU 104 1HD2 LEU 104 7.603 5.105 2.606 634 HD23 LEU 104 2HD2 LEU 104 6.018 4.864 1.841 635 H GLU 105 H GLU 105 5.555 8.794 7.513 636 HA GLU 105 HA GLU 105 3.326 9.994 6.016 637 HB3 GLU 105 2HB GLU 105 3.926 12.024 7.563 638 HG3 GLU 105 2HG GLU 105 1.929 10.755 7.965 639 H LYS 106 H LYS 106 3.642 12.152 5.021 640 HA LYS 106 HA LYS 106 6.371 12.962 4.428 641 HB3 LYS 106 2HB LYS 106 5.796 13.303 2.000 642 HG3 LYS 106 2HG LYS 106 5.951 10.477 3.063 643 HD3 LYS 106 2HD LYS 106 6.360 9.633 0.862 644 HE3 LYS 106 2HE LYS 106 4.140 9.898 -0.152 645 HZ1 LYS 106 3HZ LYS 106 2.711 9.534 1.695 646 HZ2 LYS 106 1HZ LYS 106 3.802 10.138 2.776 647 HZ3 LYS 106 2HZ LYS 106 4.124 8.730 2.023 648 H GLU 107 H GLU 107 6.082 15.092 3.142 649 HA GLU 107 HA GLU 107 3.641 16.567 3.648 650 HB3 GLU 107 2HB GLU 107 6.296 17.432 4.852 651 HG3 GLU 107 2HG GLU 107 3.522 18.649 4.881 652 H TYR 108 H TYR 108 3.489 18.211 2.093 653 HA TYR 108 HA TYR 108 5.871 18.867 0.488 654 HB3 TYR 108 2HB TYR 108 4.562 18.573 -1.531 655 HD1 TYR 108 2HD TYR 108 6.280 16.672 -1.576 656 HD2 TYR 108 1HD TYR 108 2.325 16.196 0.042 657 HE1 TYR 108 2HE TYR 108 6.441 14.219 -1.913 658 HE2 TYR 108 1HE TYR 108 2.453 13.762 -0.322 659 HH TYR 108 HH TYR 108 5.341 12.258 -1.862 660 H ILE 109 H ILE 109 5.660 21.016 -0.468 661 HA ILE 109 HA ILE 109 3.195 22.459 -0.100 662 HB ILE 109 HB ILE 109 5.790 23.743 0.852 663 HG13 ILE 109 2HG1 ILE 109 5.161 22.069 2.514 664 HG21 ILE 109 1HG2 ILE 109 2.875 24.671 1.026 665 HG22 ILE 109 2HG2 ILE 109 4.299 25.581 1.594 666 HG23 ILE 109 3HG2 ILE 109 4.088 25.289 -0.110 667 HD11 ILE 109 3HD1 ILE 109 4.204 24.683 3.690 668 HD12 ILE 109 1HD1 ILE 109 5.065 23.340 4.469 669 HD13 ILE 109 2HD1 ILE 109 5.899 24.362 3.292 670 H THR 110 H THR 110 2.903 23.854 -1.897 671 HA THR 110 HA THR 110 4.647 23.745 -4.199 672 HB THR 110 HB THR 110 3.041 25.750 -4.753 673 HG1 THR 110 1HG THR 110 1.287 25.875 -3.643 674 HG21 THR 110 3HG2 THR 110 1.838 22.977 -4.302 675 HG22 THR 110 1HG2 THR 110 2.700 23.516 -5.761 676 HG23 THR 110 2HG2 THR 110 1.156 24.274 -5.328 677 H ASP 111 H ASP 111 6.051 25.312 -4.992 678 HA ASP 111 HA ASP 111 6.045 27.905 -3.666 679 HB3 ASP 111 2HB ASP 111 8.748 26.613 -4.080 680 H GLY 112 H GLY 112 4.732 27.584 -5.807 681 HA2 GLY 112 1HA GLY 112 4.359 29.214 -7.428 682 HA3 GLY 112 2HA GLY 112 6.093 29.515 -7.582 683 H ASN 113 H ASN 113 6.650 26.653 -7.726 684 HA ASN 113 HA ASN 113 6.498 26.261 -10.625 685 HB3 ASN 113 2HB ASN 113 7.808 24.152 -9.982 686 HD21 ASN 113 1HD2 ASN 113 8.820 26.820 -7.740 687 HD22 ASN 113 2HD2 ASN 113 10.037 27.433 -8.799 688 H THR 114 H THR 114 5.934 23.876 -11.371 689 HA THR 114 HA THR 114 3.399 22.907 -10.464 690 HB THR 114 HB THR 114 5.324 20.914 -11.463 691 HG1 THR 114 1HG THR 114 4.776 22.993 -13.287 692 HG21 THR 114 3HG2 THR 114 3.600 20.613 -13.241 693 HG22 THR 114 1HG2 THR 114 2.706 21.995 -12.564 694 HG23 THR 114 2HG2 THR 114 2.942 20.519 -11.607 695 H LEU 115 H LEU 115 3.258 20.634 -9.387 696 HA LEU 115 HA LEU 115 5.576 20.015 -7.652 697 HB3 LEU 115 2HB LEU 115 2.674 19.877 -6.713 698 HG LEU 115 HG LEU 115 5.361 19.123 -5.598 699 HD11 LEU 115 1HD1 LEU 115 3.299 20.518 -3.861 700 HD12 LEU 115 2HD1 LEU 115 4.880 21.172 -4.355 701 HD13 LEU 115 3HD1 LEU 115 4.821 19.751 -3.334 702 HD21 LEU 115 3HD2 LEU 115 3.991 17.586 -4.217 703 HD22 LEU 115 1HD2 LEU 115 3.638 17.383 -5.938 704 HD23 LEU 115 2HD2 LEU 115 2.511 18.290 -4.914 705 H ILE 116 H ILE 116 6.031 17.860 -7.689 706 HA ILE 116 HA ILE 116 4.037 15.892 -8.359 707 HB ILE 116 HB ILE 116 6.445 16.098 -10.212 708 HG13 ILE 116 2HG1 ILE 116 4.750 17.687 -10.794 709 HG21 ILE 116 1HG2 ILE 116 5.882 13.738 -9.653 710 HG22 ILE 116 2HG2 ILE 116 4.177 14.049 -10.070 711 HG23 ILE 116 3HG2 ILE 116 5.455 14.085 -11.313 712 HD11 ILE 116 3HD1 ILE 116 5.795 16.268 -12.636 713 HD12 ILE 116 1HD1 ILE 116 4.208 15.458 -12.728 714 HD13 ILE 116 2HD1 ILE 116 4.338 17.209 -13.009 715 H GLU 117 H GLU 117 4.503 14.170 -7.242 716 HA GLU 117 HA GLU 117 7.211 13.356 -6.444 717 HB3 GLU 117 2HB GLU 117 5.818 13.340 -3.988 718 HG3 GLU 117 2HG GLU 117 7.556 15.208 -3.490 719 H THR 118 H THR 118 6.984 11.229 -5.003 720 HA THR 118 HA THR 118 4.622 9.613 -5.804 721 HB THR 118 HB THR 118 5.916 7.834 -6.659 722 HG1 THR 118 1HG THR 118 8.143 9.509 -6.204 723 HG21 THR 118 3HG2 THR 118 6.601 8.658 -8.802 724 HG22 THR 118 1HG2 THR 118 6.767 10.317 -8.196 725 HG23 THR 118 2HG2 THR 118 5.166 9.556 -8.295 726 H PHE 119 H PHE 119 4.598 7.571 -4.755 727 HA PHE 119 HA PHE 119 6.331 7.214 -2.443 728 HB3 PHE 119 2HB PHE 119 4.759 8.729 -1.477 729 HD1 PHE 119 1HD PHE 119 3.115 9.510 -3.340 730 HD2 PHE 119 2HD PHE 119 2.381 6.090 -0.794 731 HE1 PHE 119 1HE PHE 119 0.649 9.729 -3.706 732 HE2 PHE 119 2HE PHE 119 -0.057 6.353 -1.185 733 HZ PHE 119 HZ PHE 119 -0.898 8.204 -2.609 734 H SER 120 H SER 120 5.663 5.113 -1.236 735 HA SER 120 HA SER 120 3.983 3.281 -2.648 736 HB3 SER 120 2HB SER 120 7.023 3.002 -2.848 737 HG SER 120 HG SER 120 6.330 0.998 -2.439 738 H VAL 121 H VAL 121 3.417 1.642 -1.428 739 HA VAL 121 HA VAL 121 4.721 1.041 1.125 740 HB VAL 121 HB VAL 121 1.967 2.296 0.752 741 HG11 VAL 121 1HG1 VAL 121 1.670 0.324 2.216 742 HG12 VAL 121 2HG1 VAL 121 2.994 0.957 3.258 743 HG13 VAL 121 3HG1 VAL 121 1.471 1.853 3.086 744 HG21 VAL 121 3HG2 VAL 121 4.353 2.911 2.553 745 HG22 VAL 121 1HG2 VAL 121 3.726 3.934 1.232 746 HG23 VAL 121 2HG2 VAL 121 2.788 3.706 2.708 747 H SER 122 H SER 122 5.137 -1.037 0.473 748 HA SER 122 HA SER 122 2.904 -2.691 -0.556 749 HB3 SER 122 2HB SER 122 4.499 -4.211 -1.289 750 HG SER 122 HG SER 122 6.677 -2.711 -1.323 751 H THR 123 H THR 123 1.976 -4.257 0.955 752 HA THR 123 HA THR 123 3.150 -4.204 3.689 753 HB THR 123 HB THR 123 1.022 -5.690 4.142 754 HG1 THR 123 1HG THR 123 -0.587 -4.526 2.556 755 HG21 THR 123 3HG2 THR 123 -0.290 -3.873 4.743 756 HG22 THR 123 1HG2 THR 123 0.521 -2.787 3.586 757 HG23 THR 123 2HG2 THR 123 1.388 -3.421 5.021 758 H LYS 124 H LYS 124 4.529 -5.594 1.381 759 HA LYS 124 HA LYS 124 5.365 -7.581 3.129 760 HB3 LYS 124 2HB LYS 124 4.670 -8.927 0.536 761 HG3 LYS 124 2HG LYS 124 6.064 -9.913 2.432 762 HD3 LYS 124 2HD LYS 124 3.256 -10.308 3.580 763 HE3 LYS 124 2HE LYS 124 4.641 -11.242 5.514 764 HZ1 LYS 124 3HZ LYS 124 3.563 -12.603 3.659 765 HZ2 LYS 124 1HZ LYS 124 4.650 -13.324 4.654 766 HZ3 LYS 124 2HZ LYS 124 5.131 -12.906 3.173 767 H GLU 125 H GLU 125 7.520 -7.408 2.879 768 HA GLU 125 HA GLU 125 8.725 -7.612 0.260 769 HB3 GLU 125 2HB GLU 125 10.316 -5.586 0.981 770 HG3 GLU 125 2HG GLU 125 7.671 -5.166 -0.456 771 H ILE 126 H ILE 126 9.942 -9.275 0.700 772 HA ILE 126 HA ILE 126 11.543 -10.597 1.493 773 HB ILE 126 HB ILE 126 12.899 -8.117 2.564 774 HG13 ILE 126 2HG1 ILE 126 11.959 -7.483 0.345 775 HG21 ILE 126 1HG2 ILE 126 13.983 -10.419 2.754 776 HG22 ILE 126 2HG2 ILE 126 14.034 -10.472 0.981 777 HG23 ILE 126 3HG2 ILE 126 14.932 -9.221 1.898 778 HD11 ILE 126 3HD1 ILE 126 14.905 -8.034 -0.025 779 HD12 ILE 126 1HD1 ILE 126 13.894 -6.856 -0.861 780 HD13 ILE 126 2HD1 ILE 126 14.199 -6.658 0.880 Start of MODEL 18 1 H1 GLY 1 H GLY 1 15.221 -13.219 18.946 2 HA2 GLY 1 1HA GLY 1 15.212 -11.497 17.240 3 HA3 GLY 1 2HA GLY 1 15.036 -12.780 16.021 4 H ALA 2 H ALA 2 13.060 -12.357 15.158 5 HA ALA 2 HA ALA 2 10.757 -13.131 16.749 6 HB1 ALA 2 1HB ALA 2 10.572 -10.692 16.958 7 HB2 ALA 2 2HB ALA 2 10.888 -10.484 15.218 8 HB3 ALA 2 3HB ALA 2 9.389 -11.261 15.771 9 H SER 3 H SER 3 9.987 -14.776 15.493 10 HA SER 3 HA SER 3 9.906 -14.495 12.550 11 HB3 SER 3 2HB SER 3 10.401 -16.915 12.377 12 HG SER 3 HG SER 3 12.227 -15.979 12.055 13 H ASP 4 H ASP 4 7.720 -13.826 12.791 14 HA ASP 4 HA ASP 4 5.848 -15.921 13.476 15 HB3 ASP 4 2HB ASP 4 5.724 -13.362 15.111 16 H PHE 5 H PHE 5 4.641 -15.740 11.671 17 HA PHE 5 HA PHE 5 4.013 -13.066 10.582 18 HB3 PHE 5 2HB PHE 5 5.931 -13.749 9.460 19 HD1 PHE 5 2HD PHE 5 6.538 -16.057 10.312 20 HD2 PHE 5 1HD PHE 5 3.755 -15.419 7.218 21 HE1 PHE 5 2HE PHE 5 7.095 -18.359 9.411 22 HE2 PHE 5 1HE PHE 5 4.317 -17.653 6.165 23 HZ PHE 5 HZ PHE 5 5.995 -19.128 7.288 24 H GLN 6 H GLN 6 1.925 -13.166 11.353 25 HA GLN 6 HA GLN 6 0.109 -15.206 10.291 26 HB3 GLN 6 2HB GLN 6 -0.629 -14.574 12.376 27 HG3 GLN 6 2HG GLN 6 0.068 -11.794 11.573 28 HE21 GLN 6 1HE2 GLN 6 -1.620 -13.253 14.459 29 HE22 GLN 6 2HE2 GLN 6 -2.754 -11.920 14.612 30 H THR 7 H THR 7 0.258 -15.068 8.159 31 HA THR 7 HA THR 7 -0.719 -12.690 6.713 32 HB THR 7 HB THR 7 -1.217 -14.913 5.092 33 HG1 THR 7 1HG THR 7 0.015 -16.306 6.437 34 HG21 THR 7 3HG2 THR 7 0.733 -14.147 3.829 35 HG22 THR 7 1HG2 THR 7 1.396 -13.326 5.266 36 HG23 THR 7 2HG2 THR 7 -0.074 -12.720 4.491 37 H GLY 8 H GLY 8 -2.986 -12.895 5.620 38 HA2 GLY 8 1HA GLY 8 -5.089 -14.269 6.868 39 HA3 GLY 8 2HA GLY 8 -4.827 -12.775 7.769 40 H ILE 9 H ILE 9 -5.646 -10.863 6.890 41 HA ILE 9 HA ILE 9 -6.475 -10.725 4.033 42 HB ILE 9 HB ILE 9 -7.960 -9.826 6.547 43 HG13 ILE 9 2HG1 ILE 9 -8.151 -12.325 5.701 44 HG21 ILE 9 1HG2 ILE 9 -9.721 -8.982 4.974 45 HG22 ILE 9 2HG2 ILE 9 -8.204 -8.101 4.820 46 HG23 ILE 9 3HG2 ILE 9 -8.637 -9.333 3.615 47 HD11 ILE 9 3HD1 ILE 9 -10.651 -10.668 6.180 48 HD12 ILE 9 1HD1 ILE 9 -10.523 -12.435 6.244 49 HD13 ILE 9 2HD1 ILE 9 -9.634 -11.444 7.412 50 H HIS 10 H HIS 10 -5.396 -8.896 3.124 51 HA HIS 10 HA HIS 10 -3.784 -7.276 5.040 52 HB3 HIS 10 2HB HIS 10 -2.696 -6.432 3.034 53 HD1 HIS 10 1HD HIS 10 -0.510 -7.598 3.835 54 HD2 HIS 10 2HD HIS 10 -3.519 -10.221 2.491 55 HE1 HIS 10 1HE HIS 10 0.547 -9.921 3.692 56 H LYS 11 H LYS 11 -3.897 -4.960 5.000 57 HA LYS 11 HA LYS 11 -6.194 -3.708 3.647 58 HB3 LYS 11 2HB LYS 11 -6.872 -2.564 5.734 59 HG3 LYS 11 2HG LYS 11 -7.403 -5.390 5.358 60 HD3 LYS 11 2HD LYS 11 -6.278 -5.622 7.665 61 HE3 LYS 11 2HE LYS 11 -8.636 -3.792 8.267 62 HZ1 LYS 11 3HZ LYS 11 -9.042 -5.710 9.595 63 HZ2 LYS 11 1HZ LYS 11 -8.454 -4.549 10.582 64 HZ3 LYS 11 2HZ LYS 11 -7.505 -5.823 10.089 65 H ILE 12 H ILE 12 -5.892 -1.331 3.545 66 HA ILE 12 HA ILE 12 -3.233 -0.247 4.219 67 HB ILE 12 HB ILE 12 -4.534 -0.325 1.476 68 HG13 ILE 12 2HG1 ILE 12 -2.603 -1.194 0.577 69 HG21 ILE 12 1HG2 ILE 12 -2.949 1.298 0.604 70 HG22 ILE 12 2HG2 ILE 12 -3.984 2.031 1.832 71 HG23 ILE 12 3HG2 ILE 12 -2.325 1.575 2.236 72 HD11 ILE 12 3HD1 ILE 12 -1.060 -0.236 2.940 73 HD12 ILE 12 1HD1 ILE 12 -0.579 -1.768 2.161 74 HD13 ILE 12 2HD1 ILE 12 -0.646 -0.269 1.229 75 H VAL 13 H VAL 13 -3.555 1.757 5.134 76 HA VAL 13 HA VAL 13 -6.223 3.085 4.903 77 HB VAL 13 HB VAL 13 -4.289 2.857 7.245 78 HG11 VAL 13 1HG1 VAL 13 -6.807 4.563 7.096 79 HG12 VAL 13 2HG1 VAL 13 -5.806 4.280 8.532 80 HG13 VAL 13 3HG1 VAL 13 -5.142 5.178 7.168 81 HG21 VAL 13 3HG2 VAL 13 -5.880 0.941 6.950 82 HG22 VAL 13 1HG2 VAL 13 -6.181 1.853 8.434 83 HG23 VAL 13 2HG2 VAL 13 -7.235 2.071 7.033 84 H ILE 14 H ILE 14 -6.104 5.318 4.332 85 HA ILE 14 HA ILE 14 -3.356 6.473 4.190 86 HB ILE 14 HB ILE 14 -5.426 6.822 1.994 87 HG13 ILE 14 2HG1 ILE 14 -4.435 4.479 1.989 88 HG21 ILE 14 1HG2 ILE 14 -2.520 7.714 2.245 89 HG22 ILE 14 2HG2 ILE 14 -3.512 7.939 0.796 90 HG23 ILE 14 3HG2 ILE 14 -3.948 8.768 2.276 91 HD11 ILE 14 3HD1 ILE 14 -5.181 5.625 -0.103 92 HD12 ILE 14 1HD1 ILE 14 -3.476 6.071 -0.379 93 HD13 ILE 14 2HD1 ILE 14 -3.967 4.368 -0.304 94 H GLN 15 H GLN 15 -3.361 8.718 4.765 95 HA GLN 15 HA GLN 15 -6.000 9.973 5.206 96 HB3 GLN 15 2HB GLN 15 -5.309 10.743 7.455 97 HG3 GLN 15 2HG GLN 15 -4.974 7.709 7.357 98 HE21 GLN 15 1HE2 GLN 15 -4.741 6.805 9.411 99 HE22 GLN 15 2HE2 GLN 15 -5.008 7.689 10.862 100 H GLN 16 H GLN 16 -5.735 12.399 5.495 101 HA GLN 16 HA GLN 16 -3.111 13.432 4.879 102 HB3 GLN 16 2HB GLN 16 -3.955 12.856 2.605 103 HG3 GLN 16 2HG GLN 16 -6.115 14.936 3.140 104 HE21 GLN 16 1HE2 GLN 16 -7.864 14.257 1.208 105 HE22 GLN 16 2HE2 GLN 16 -7.091 14.381 -0.408 106 H SER 17 H SER 17 -3.203 15.876 4.610 107 HA SER 17 HA SER 17 -5.657 17.215 5.219 108 HB3 SER 17 2HB SER 17 -3.800 18.423 7.080 109 HG SER 17 HG SER 17 -6.149 16.905 7.580 110 H GLY 18 H GLY 18 -5.531 19.421 4.528 111 HA2 GLY 18 1HA GLY 18 -3.546 21.176 4.527 112 HA3 GLY 18 2HA GLY 18 -3.044 20.208 3.141 113 H ASP 19 H ASP 19 -3.862 20.763 1.196 114 HA ASP 19 HA ASP 19 -6.439 22.268 1.005 115 HB3 ASP 19 2HB ASP 19 -5.278 23.525 -0.947 116 H THR 20 H THR 20 -6.757 19.860 0.908 117 HA THR 20 HA THR 20 -5.930 18.083 -0.934 118 HB THR 20 HB THR 20 -8.035 16.877 -0.115 119 HG1 THR 20 1HG THR 20 -9.504 17.982 0.916 120 HG21 THR 20 3HG2 THR 20 -5.898 16.888 1.210 121 HG22 THR 20 1HG2 THR 20 -7.333 16.830 2.236 122 HG23 THR 20 2HG2 THR 20 -6.430 18.343 2.054 123 H ASP 21 H ASP 21 -7.687 20.668 -2.032 124 HA ASP 21 HA ASP 21 -9.491 19.122 -3.816 125 HB3 ASP 21 2HB ASP 21 -9.414 22.128 -3.444 126 H SER 22 H SER 22 -6.456 20.630 -3.803 127 HA SER 22 HA SER 22 -6.330 21.058 -6.753 128 HB3 SER 22 2HB SER 22 -4.578 22.775 -5.145 129 HG SER 22 HG SER 22 -6.885 23.602 -6.569 130 H PHE 23 H PHE 23 -5.680 18.668 -5.405 131 HA PHE 23 HA PHE 23 -2.843 18.430 -6.256 132 HB3 PHE 23 2HB PHE 23 -2.391 16.733 -4.484 133 HD1 PHE 23 1HD PHE 23 -4.260 19.390 -2.709 134 HD2 PHE 23 2HD PHE 23 -0.412 18.061 -4.102 135 HE1 PHE 23 1HE PHE 23 -3.158 21.209 -1.413 136 HE2 PHE 23 2HE PHE 23 0.669 19.907 -2.799 137 HZ PHE 23 HZ PHE 23 -0.697 21.488 -1.518 138 H GLU 24 H GLU 24 -2.414 16.577 -7.432 139 HA GLU 24 HA GLU 24 -4.680 14.771 -7.984 140 HB3 GLU 24 2HB GLU 24 -3.401 14.369 -10.087 141 HG3 GLU 24 2HG GLU 24 -5.192 16.119 -10.099 142 H VAL 25 H VAL 25 -3.897 14.001 -5.808 143 HA VAL 25 HA VAL 25 -1.715 12.117 -5.694 144 HB VAL 25 HB VAL 25 -2.485 13.113 -3.661 145 HG11 VAL 25 1HG1 VAL 25 -4.567 13.196 -2.750 146 HG12 VAL 25 2HG1 VAL 25 -4.484 14.077 -4.224 147 HG13 VAL 25 3HG1 VAL 25 -5.297 12.504 -4.254 148 HG21 VAL 25 3HG2 VAL 25 -3.015 11.189 -2.356 149 HG22 VAL 25 1HG2 VAL 25 -3.446 10.292 -3.839 150 HG23 VAL 25 2HG2 VAL 25 -1.781 10.831 -3.568 151 H SER 26 H SER 26 -1.771 10.127 -6.696 152 HA SER 26 HA SER 26 -4.389 8.830 -6.910 153 HB3 SER 26 2HB SER 26 -4.397 9.141 -9.116 154 HG SER 26 HG SER 26 -2.507 10.663 -8.952 155 H VAL 27 H VAL 27 -4.178 7.087 -5.828 156 HA VAL 27 HA VAL 27 -1.538 5.731 -5.486 157 HB VAL 27 HB VAL 27 -2.514 4.676 -3.515 158 HG11 VAL 27 1HG1 VAL 27 -2.392 6.615 -2.127 159 HG12 VAL 27 2HG1 VAL 27 -1.277 6.777 -3.474 160 HG13 VAL 27 3HG1 VAL 27 -2.775 7.696 -3.479 161 HG21 VAL 27 3HG2 VAL 27 -4.701 5.682 -2.610 162 HG22 VAL 27 1HG2 VAL 27 -5.113 5.812 -4.352 163 HG23 VAL 27 2HG2 VAL 27 -4.665 4.285 -3.659 164 H SER 28 H SER 28 -1.067 3.924 -6.553 165 HA SER 28 HA SER 28 -3.010 2.326 -8.034 166 HB3 SER 28 2HB SER 28 -0.191 1.617 -7.146 167 HG SER 28 HG SER 28 -0.165 0.846 -9.387 168 H ILE 29 H ILE 29 -4.071 0.517 -7.131 169 HA ILE 29 HA ILE 29 -3.205 -0.378 -4.419 170 HB ILE 29 HB ILE 29 -6.036 0.175 -5.346 171 HG13 ILE 29 2HG1 ILE 29 -4.486 2.100 -4.321 172 HG21 ILE 29 1HG2 ILE 29 -5.822 -1.943 -3.975 173 HG22 ILE 29 2HG2 ILE 29 -5.124 -0.996 -2.668 174 HG23 ILE 29 3HG2 ILE 29 -6.807 -0.718 -3.192 175 HD11 ILE 29 3HD1 ILE 29 -6.366 3.012 -2.956 176 HD12 ILE 29 1HD1 ILE 29 -6.869 2.474 -4.571 177 HD13 ILE 29 2HD1 ILE 29 -7.226 1.483 -3.137 178 H GLY 30 H GLY 30 -2.429 -2.324 -4.759 179 HA2 GLY 30 1HA GLY 30 -3.921 -4.338 -6.239 180 HA3 GLY 30 2HA GLY 30 -2.364 -3.846 -6.927 181 H GLY 31 H GLY 31 -2.513 -6.372 -6.286 182 HA2 GLY 31 1HA GLY 31 -0.431 -6.809 -4.426 183 HA3 GLY 31 2HA GLY 31 -1.955 -7.169 -3.652 184 H ALA 32 H ALA 32 -0.310 -9.331 -4.010 185 HA ALA 32 HA ALA 32 -1.366 -10.838 -6.362 186 HB1 ALA 32 1HB ALA 32 1.096 -10.374 -6.486 187 HB2 ALA 32 2HB ALA 32 1.291 -11.203 -4.914 188 HB3 ALA 32 3HB ALA 32 0.706 -12.102 -6.329 189 H ASP 33 H ASP 33 -1.852 -13.062 -5.962 190 HA ASP 33 HA ASP 33 -1.878 -13.958 -3.165 191 HB3 ASP 33 2HB ASP 33 -4.201 -13.110 -3.947 192 H LYS 34 H LYS 34 -2.509 -16.259 -3.125 193 HA LYS 34 HA LYS 34 -0.656 -17.860 -4.632 194 HB3 LYS 34 2HB LYS 34 -2.890 -18.652 -2.697 195 HG3 LYS 34 2HG LYS 34 -0.540 -20.043 -3.935 196 HD3 LYS 34 2HD LYS 34 0.241 -19.902 -1.661 197 HE3 LYS 34 2HE LYS 34 -2.346 -21.132 -0.653 198 HZ1 LYS 34 3HZ LYS 34 -1.577 -20.363 1.426 199 HZ2 LYS 34 1HZ LYS 34 -0.279 -19.609 0.826 200 HZ3 LYS 34 2HZ LYS 34 -0.370 -21.275 0.784 201 H GLY 35 H GLY 35 -1.584 -17.083 -6.661 202 HA2 GLY 35 1HA GLY 35 -2.421 -18.779 -8.456 203 HA3 GLY 35 2HA GLY 35 -3.964 -18.616 -7.623 204 H GLY 36 H GLY 36 -2.356 -15.546 -7.549 205 HA2 GLY 36 1HA GLY 36 -2.411 -14.569 -10.099 206 HA3 GLY 36 2HA GLY 36 -4.134 -14.647 -9.748 207 HA PRO 37 HA PRO 37 -2.987 -10.476 -8.161 208 HB3 PRO 37 2HB PRO 37 -3.293 -9.568 -10.239 209 HG3 PRO 37 2HG PRO 37 -4.888 -10.387 -11.734 210 HD3 PRO 37 2HD PRO 37 -3.647 -12.324 -11.309 211 H ALA 38 H ALA 38 -3.724 -9.964 -6.342 212 HA ALA 38 HA ALA 38 -5.886 -11.418 -5.019 213 HB1 ALA 38 1HB ALA 38 -5.281 -10.022 -3.063 214 HB2 ALA 38 2HB ALA 38 -3.870 -10.851 -3.750 215 HB3 ALA 38 3HB ALA 38 -4.132 -9.115 -4.062 216 H LYS 39 H LYS 39 -7.984 -10.805 -5.214 217 HA LYS 39 HA LYS 39 -8.782 -8.327 -6.361 218 HB3 LYS 39 2HB LYS 39 -11.079 -8.919 -5.517 219 HG3 LYS 39 2HG LYS 39 -9.445 -11.067 -6.944 220 HD3 LYS 39 2HD LYS 39 -12.389 -10.366 -7.205 221 HE3 LYS 39 2HE LYS 39 -10.504 -12.327 -8.612 222 HZ1 LYS 39 3HZ LYS 39 -13.331 -11.727 -9.203 223 HZ2 LYS 39 1HZ LYS 39 -12.730 -13.185 -8.696 224 HZ3 LYS 39 2HZ LYS 39 -12.319 -12.572 -10.162 225 H LEU 40 H LEU 40 -9.564 -6.409 -5.573 226 HA LEU 40 HA LEU 40 -8.840 -5.684 -2.802 227 HB3 LEU 40 2HB LEU 40 -8.753 -3.454 -3.865 228 HG LEU 40 HG LEU 40 -6.884 -3.408 -5.031 229 HD11 LEU 40 1HD1 LEU 40 -5.263 -4.874 -4.013 230 HD12 LEU 40 2HD1 LEU 40 -6.503 -6.095 -3.667 231 HD13 LEU 40 3HD1 LEU 40 -6.533 -4.525 -2.822 232 HD21 LEU 40 3HD2 LEU 40 -7.532 -4.541 -6.991 233 HD22 LEU 40 1HD2 LEU 40 -7.294 -6.121 -6.197 234 HD23 LEU 40 2HD2 LEU 40 -5.921 -5.050 -6.498 235 H TYR 41 H TYR 41 -10.366 -4.502 -1.601 236 HA TYR 41 HA TYR 41 -13.144 -4.445 -2.646 237 HB3 TYR 41 2HB TYR 41 -13.839 -5.087 -0.357 238 HD1 TYR 41 1HD TYR 41 -10.773 -7.041 -1.466 239 HD2 TYR 41 2HD TYR 41 -15.039 -6.892 -1.099 240 HE1 TYR 41 1HE TYR 41 -10.916 -9.289 -2.442 241 HE2 TYR 41 2HE TYR 41 -15.230 -9.153 -2.031 242 HH TYR 41 HH TYR 41 -14.029 -11.049 -2.682 243 H ASN 42 H ASN 42 -14.467 -2.842 -1.960 244 HA ASN 42 HA ASN 42 -13.090 -0.340 -1.124 245 HB3 ASN 42 2HB ASN 42 -14.768 -0.354 -3.067 246 HD21 ASN 42 1HD2 ASN 42 -16.358 -2.399 -2.667 247 HD22 ASN 42 2HD2 ASN 42 -17.944 -1.893 -2.149 248 H ASP 43 H ASP 43 -14.631 1.097 0.310 249 HA ASP 43 HA ASP 43 -14.419 -0.129 2.897 250 HB3 ASP 43 2HB ASP 43 -15.832 2.442 2.310 251 H LYS 44 H LYS 44 -17.008 -0.327 0.696 252 HA LYS 44 HA LYS 44 -19.077 -0.671 2.773 253 HB3 LYS 44 2HB LYS 44 -20.536 -1.116 0.739 254 HG3 LYS 44 2HG LYS 44 -19.944 1.292 -0.293 255 HD3 LYS 44 2HD LYS 44 -20.947 1.100 2.594 256 HE3 LYS 44 2HE LYS 44 -21.446 2.976 0.266 257 HZ1 LYS 44 3HZ LYS 44 -22.989 3.027 2.778 258 HZ2 LYS 44 1HZ LYS 44 -23.530 2.386 1.338 259 HZ3 LYS 44 2HZ LYS 44 -23.146 3.968 1.433 260 H GLY 45 H GLY 45 -16.604 -2.448 1.390 261 HA2 GLY 45 1HA GLY 45 -15.977 -4.449 2.094 262 HA3 GLY 45 2HA GLY 45 -17.643 -4.952 2.460 263 H GLU 46 H GLU 46 -17.427 -3.601 -0.682 264 HA GLU 46 HA GLU 46 -17.866 -6.313 -1.823 265 HB3 GLU 46 2HB GLU 46 -18.696 -5.176 -3.798 266 HG3 GLU 46 2HG GLU 46 -19.948 -4.944 -1.277 267 H TYR 47 H TYR 47 -16.745 -7.004 -3.640 268 HA TYR 47 HA TYR 47 -13.998 -6.118 -3.930 269 HB3 TYR 47 2HB TYR 47 -15.100 -8.462 -4.573 270 HD1 TYR 47 1HD TYR 47 -13.774 -6.996 -7.715 271 HD2 TYR 47 2HD TYR 47 -17.308 -8.501 -5.755 272 HE1 TYR 47 1HE TYR 47 -14.964 -7.054 -9.893 273 HE2 TYR 47 2HE TYR 47 -18.480 -8.601 -7.895 274 HH TYR 47 HH TYR 47 -16.994 -7.807 -11.046 275 H ILE 48 H ILE 48 -13.163 -4.733 -5.511 276 HA ILE 48 HA ILE 48 -15.022 -3.622 -7.557 277 HB ILE 48 HB ILE 48 -14.005 -1.346 -7.136 278 HG13 ILE 48 2HG1 ILE 48 -12.238 -2.405 -5.470 279 HG21 ILE 48 1HG2 ILE 48 -15.708 -0.761 -5.477 280 HG22 ILE 48 2HG2 ILE 48 -16.346 -1.981 -6.580 281 HG23 ILE 48 3HG2 ILE 48 -15.830 -2.450 -4.952 282 HD11 ILE 48 3HD1 ILE 48 -13.708 0.229 -5.178 283 HD12 ILE 48 1HD1 ILE 48 -12.276 -0.173 -4.213 284 HD13 ILE 48 2HD1 ILE 48 -12.174 -0.091 -5.993 285 H GLY 49 H GLY 49 -12.173 -5.296 -7.130 286 HA2 GLY 49 1HA GLY 49 -11.804 -5.533 -9.760 287 HA3 GLY 49 2HA GLY 49 -10.815 -4.101 -9.419 288 H ASP 50 H ASP 50 -9.369 -5.924 -10.361 289 HA ASP 50 HA ASP 50 -7.858 -6.991 -8.023 290 HB3 ASP 50 2HB ASP 50 -8.654 -8.882 -9.230 291 H SER 51 H SER 51 -7.868 -4.520 -10.184 292 HA SER 51 HA SER 51 -5.183 -3.713 -9.510 293 HB3 SER 51 2HB SER 51 -4.515 -3.390 -11.924 294 HG SER 51 HG SER 51 -4.932 -6.005 -10.961 295 H TYR 52 H TYR 52 -5.735 -1.504 -8.982 296 HA TYR 52 HA TYR 52 -6.853 0.081 -11.127 297 HB3 TYR 52 2HB TYR 52 -8.983 -0.564 -10.260 298 HD1 TYR 52 1HD TYR 52 -7.926 1.490 -7.319 299 HD2 TYR 52 2HD TYR 52 -9.465 -2.266 -8.762 300 HE1 TYR 52 1HE TYR 52 -8.622 0.959 -5.042 301 HE2 TYR 52 2HE TYR 52 -10.264 -2.817 -6.517 302 HH TYR 52 HH TYR 52 -10.461 -2.048 -4.340 303 H SER 53 H SER 53 -7.303 2.423 -10.128 304 HA SER 53 HA SER 53 -5.408 2.979 -7.983 305 HB3 SER 53 2HB SER 53 -4.392 4.797 -8.981 306 HG SER 53 HG SER 53 -4.345 2.724 -10.467 307 H ALA 54 H ALA 54 -6.011 4.823 -6.738 308 HA ALA 54 HA ALA 54 -8.783 5.822 -7.057 309 HB1 ALA 54 1HB ALA 54 -7.494 5.005 -4.413 310 HB2 ALA 54 2HB ALA 54 -9.121 5.675 -4.634 311 HB3 ALA 54 3HB ALA 54 -8.729 4.055 -5.264 312 H GLN 55 H GLN 55 -8.891 8.046 -5.745 313 HA GLN 55 HA GLN 55 -6.330 9.555 -5.731 314 HB3 GLN 55 2HB GLN 55 -9.199 10.492 -6.233 315 HG3 GLN 55 2HG GLN 55 -6.882 11.727 -7.616 316 HE21 GLN 55 1HE2 GLN 55 -7.852 14.035 -5.523 317 HE22 GLN 55 2HE2 GLN 55 -9.189 14.703 -6.349 318 H ILE 56 H ILE 56 -5.849 10.756 -3.937 319 HA ILE 56 HA ILE 56 -7.777 10.308 -1.703 320 HB ILE 56 HB ILE 56 -5.114 11.679 -1.422 321 HG13 ILE 56 2HG1 ILE 56 -4.144 9.548 -0.927 322 HG21 ILE 56 1HG2 ILE 56 -6.844 11.827 0.468 323 HG22 ILE 56 2HG2 ILE 56 -6.769 10.083 0.611 324 HG23 ILE 56 3HG2 ILE 56 -5.321 11.054 0.921 325 HD11 ILE 56 3HD1 ILE 56 -6.860 8.260 -1.524 326 HD12 ILE 56 1HD1 ILE 56 -5.317 7.417 -1.449 327 HD13 ILE 56 2HD1 ILE 56 -5.972 8.148 0.019 328 H ARG 57 H ARG 57 -9.520 11.565 -1.867 329 HA ARG 57 HA ARG 57 -9.092 14.540 -1.908 330 HB3 ARG 57 2HB ARG 57 -10.103 13.963 -3.956 331 HG3 ARG 57 2HG ARG 57 -12.708 13.369 -3.448 332 HD3 ARG 57 2HD ARG 57 -10.553 11.320 -4.076 333 HE ARG 57 HE ARG 57 -12.480 10.101 -4.126 334 HH11 ARG 57 1HH1 ARG 57 -13.137 13.232 -5.726 335 HH12 ARG 57 2HH1 ARG 57 -14.554 12.698 -6.538 336 HH21 ARG 57 1HH2 ARG 57 -14.426 9.404 -5.128 337 HH22 ARG 57 2HH2 ARG 57 -15.315 10.442 -6.200 338 H THR 58 H THR 58 -9.520 12.367 0.349 339 HA THR 58 HA THR 58 -11.546 14.056 1.727 340 HB THR 58 HB THR 58 -12.313 11.900 2.859 341 HG1 THR 58 1HG THR 58 -10.640 10.474 2.134 342 HG21 THR 58 3HG2 THR 58 -13.752 11.273 0.986 343 HG22 THR 58 1HG2 THR 58 -12.722 12.209 -0.151 344 HG23 THR 58 2HG2 THR 58 -13.616 13.033 1.155 345 H ALA 59 H ALA 59 -11.440 13.584 4.219 346 HA ALA 59 HA ALA 59 -8.845 14.147 5.211 347 HB1 ALA 59 1HB ALA 59 -11.258 12.891 6.625 348 HB2 ALA 59 2HB ALA 59 -9.867 13.670 7.406 349 HB3 ALA 59 3HB ALA 59 -10.979 14.634 6.420 350 H THR 60 H THR 60 -10.660 11.035 4.827 351 HA THR 60 HA THR 60 -8.207 9.538 5.545 352 HB THR 60 HB THR 60 -9.625 8.208 7.143 353 HG1 THR 60 1HG THR 60 -11.470 9.352 7.979 354 HG21 THR 60 3HG2 THR 60 -9.473 11.099 8.040 355 HG22 THR 60 1HG2 THR 60 -8.041 10.074 7.853 356 HG23 THR 60 2HG2 THR 60 -9.298 9.619 9.009 357 H MET 61 H MET 61 -8.062 7.562 4.651 358 HA MET 61 HA MET 61 -10.292 6.448 3.089 359 HB3 MET 61 2HB MET 61 -7.592 6.071 1.930 360 HG3 MET 61 2HG MET 61 -8.909 7.254 0.012 361 HE1 MET 61 3HE MET 61 -7.199 4.734 0.233 362 HE2 MET 61 1HE MET 61 -7.920 3.835 -1.129 363 HE3 MET 61 2HE MET 61 -7.732 5.602 -1.219 364 H SER 62 H SER 62 -9.839 4.192 2.487 365 HA SER 62 HA SER 62 -7.819 2.675 3.723 366 HB3 SER 62 2HB SER 62 -8.732 2.128 5.675 367 HG SER 62 HG SER 62 -11.030 2.805 6.154 368 H CYS 63 H CYS 63 -7.892 0.515 3.027 369 HA CYS 63 HA CYS 63 -10.050 -0.399 1.331 370 HB3 CYS 63 2HB CYS 63 -8.105 -1.102 -0.329 371 HG CYS 63 HG CYS 63 -10.163 0.788 -0.631 372 H CYS 64 H CYS 64 -9.759 -2.835 0.905 373 HA CYS 64 HA CYS 64 -7.652 -4.177 2.357 374 HB3 CYS 64 2HB CYS 64 -9.147 -3.829 4.198 375 HG CYS 64 HG CYS 64 -11.328 -3.040 3.142 376 H THR 65 H THR 65 -7.995 -6.640 2.196 377 HA THR 65 HA THR 65 -8.756 -7.196 -0.610 378 HB THR 65 HB THR 65 -7.033 -8.872 -0.543 379 HG1 THR 65 1HG THR 65 -7.021 -9.673 1.450 380 HG21 THR 65 3HG2 THR 65 -5.049 -7.493 -0.085 381 HG22 THR 65 1HG2 THR 65 -6.042 -6.263 0.667 382 HG23 THR 65 2HG2 THR 65 -6.274 -6.622 -1.058 383 H ASN 66 H ASN 66 -8.973 -9.875 -0.684 384 HA ASN 66 HA ASN 66 -10.702 -10.738 1.543 385 HB3 ASN 66 2HB ASN 66 -11.761 -11.110 -0.655 386 HD21 ASN 66 1HD2 ASN 66 -11.155 -11.370 -2.835 387 HD22 ASN 66 2HD2 ASN 66 -10.018 -12.612 -3.361 388 H GLY 67 H GLY 67 -9.977 -13.436 1.546 389 HA2 GLY 67 1HA GLY 67 -7.549 -13.165 3.073 390 HA3 GLY 67 2HA GLY 67 -8.492 -14.635 2.803 391 H ASN 68 H ASN 68 -8.115 -13.958 -0.256 392 HA ASN 68 HA ASN 68 -5.528 -15.322 -0.654 393 HB3 ASN 68 2HB ASN 68 -6.240 -14.707 -3.141 394 HD21 ASN 68 1HD2 ASN 68 -8.674 -16.220 -3.715 395 HD22 ASN 68 2HD2 ASN 68 -8.291 -17.876 -3.331 396 H ALA 69 H ALA 69 -4.144 -13.738 0.324 397 HA ALA 69 HA ALA 69 -2.986 -12.460 -1.880 398 HB1 ALA 69 1HB ALA 69 -4.585 -10.567 -0.815 399 HB2 ALA 69 2HB ALA 69 -3.277 -10.458 0.364 400 HB3 ALA 69 3HB ALA 69 -2.943 -10.202 -1.348 401 H PHE 70 H PHE 70 -0.779 -11.519 -1.199 402 HA PHE 70 HA PHE 70 0.216 -12.782 1.345 403 HB3 PHE 70 2HB PHE 70 2.451 -12.817 0.019 404 HD1 PHE 70 2HD PHE 70 1.747 -14.667 1.718 405 HD2 PHE 70 1HD PHE 70 0.651 -14.607 -2.452 406 HE1 PHE 70 2HE PHE 70 1.560 -17.115 1.760 407 HE2 PHE 70 1HE PHE 70 0.646 -17.095 -2.469 408 HZ PHE 70 HZ PHE 70 1.096 -18.355 -0.360 409 H PHE 71 H PHE 71 -0.241 -9.855 -0.314 410 HA PHE 71 HA PHE 71 1.013 -8.436 1.843 411 HB3 PHE 71 2HB PHE 71 2.938 -8.689 0.439 412 HD1 PHE 71 2HD PHE 71 2.876 -10.026 -1.616 413 HD2 PHE 71 1HD PHE 71 1.717 -5.887 -1.575 414 HE1 PHE 71 2HE PHE 71 2.936 -9.960 -4.092 415 HE2 PHE 71 1HE PHE 71 1.779 -5.820 -4.049 416 HZ PHE 71 HZ PHE 71 2.349 -7.880 -5.316 417 H MET 72 H MET 72 0.743 -5.926 1.070 418 HA MET 72 HA MET 72 -1.081 -5.709 -1.144 419 HB3 MET 72 2HB MET 72 -1.783 -4.162 1.399 420 HG3 MET 72 2HG MET 72 -3.360 -4.680 -1.164 421 HE1 MET 72 3HE MET 72 -4.983 -1.733 -0.433 422 HE2 MET 72 1HE MET 72 -5.740 -3.098 -1.290 423 HE3 MET 72 2HE MET 72 -6.486 -2.454 0.189 424 H THR 73 H THR 73 -0.732 -3.426 -2.081 425 HA THR 73 HA THR 73 1.462 -2.039 -0.678 426 HB THR 73 HB THR 73 2.465 -3.486 -2.416 427 HG1 THR 73 1HG THR 73 3.638 -1.688 -3.394 428 HG21 THR 73 3HG2 THR 73 1.085 -1.697 -4.450 429 HG22 THR 73 1HG2 THR 73 0.663 -3.394 -4.127 430 HG23 THR 73 2HG2 THR 73 2.260 -2.993 -4.762 431 H CYS 74 H CYS 74 1.681 0.087 -1.250 432 HA CYS 74 HA CYS 74 -0.451 1.407 -2.783 433 HB3 CYS 74 2HB CYS 74 0.521 2.804 -0.276 434 HG CYS 74 HG CYS 74 -2.504 2.232 -1.471 435 H ALA 75 H ALA 75 1.054 1.776 -4.464 436 HA ALA 75 HA ALA 75 3.350 3.511 -3.870 437 HB1 ALA 75 1HB ALA 75 4.322 1.248 -4.273 438 HB2 ALA 75 2HB ALA 75 3.420 1.154 -5.805 439 HB3 ALA 75 3HB ALA 75 4.695 2.375 -5.598 440 H GLY 76 H GLY 76 2.778 5.457 -4.973 441 HA2 GLY 76 1HA GLY 76 0.719 5.258 -7.123 442 HA3 GLY 76 2HA GLY 76 0.583 6.268 -5.638 443 H SER 77 H SER 77 0.458 8.141 -7.118 444 HA SER 77 HA SER 77 3.006 9.277 -6.536 445 HB3 SER 77 2HB SER 77 3.390 8.756 -8.914 446 HG SER 77 HG SER 77 2.214 10.019 -10.425 447 H VAL 78 H VAL 78 2.719 11.840 -6.865 448 HA VAL 78 HA VAL 78 -0.083 12.683 -6.730 449 HB VAL 78 HB VAL 78 0.485 12.354 -4.430 450 HG11 VAL 78 1HG1 VAL 78 2.358 13.527 -3.286 451 HG12 VAL 78 2HG1 VAL 78 2.936 12.343 -4.458 452 HG13 VAL 78 3HG1 VAL 78 2.958 14.076 -4.859 453 HG21 VAL 78 3HG2 VAL 78 0.135 14.490 -3.432 454 HG22 VAL 78 1HG2 VAL 78 0.757 15.334 -4.869 455 HG23 VAL 78 2HG2 VAL 78 -0.776 14.435 -4.961 456 H SER 79 H SER 79 -0.359 14.982 -7.204 457 HA SER 79 HA SER 79 2.011 16.435 -8.180 458 HB3 SER 79 2HB SER 79 1.381 16.626 -10.400 459 HG SER 79 HG SER 79 -0.215 14.834 -10.996 460 H SER 80 H SER 80 1.328 18.748 -8.775 461 HA SER 80 HA SER 80 -1.350 19.544 -8.175 462 HB3 SER 80 2HB SER 80 0.918 20.584 -6.421 463 HG SER 80 HG SER 80 -1.864 21.158 -6.194 464 H ILE 81 H ILE 81 -1.616 21.813 -8.788 465 HA ILE 81 HA ILE 81 0.468 22.996 -10.537 466 HB ILE 81 HB ILE 81 -1.261 23.321 -12.258 467 HG13 ILE 81 2HG1 ILE 81 -3.184 22.806 -10.370 468 HG21 ILE 81 1HG2 ILE 81 -0.856 20.373 -11.612 469 HG22 ILE 81 2HG2 ILE 81 -1.272 21.073 -13.179 470 HG23 ILE 81 3HG2 ILE 81 0.302 21.435 -12.447 471 HD11 ILE 81 3HD1 ILE 81 -3.316 22.350 -13.349 472 HD12 ILE 81 1HD1 ILE 81 -4.747 22.410 -12.293 473 HD13 ILE 81 2HD1 ILE 81 -3.703 23.835 -12.469 474 H SER 82 H SER 82 -1.012 23.647 -7.781 475 HA SER 82 HA SER 82 -2.579 26.011 -8.451 476 HB3 SER 82 2HB SER 82 -3.460 24.608 -6.763 477 HG SER 82 HG SER 82 -2.230 23.851 -5.052 478 H GLU 83 H GLU 83 -2.148 27.886 -6.967 479 HA GLU 83 HA GLU 83 0.414 29.013 -7.308 480 HB3 GLU 83 2HB GLU 83 -0.205 30.755 -5.810 481 HG3 GLU 83 2HG GLU 83 -2.892 29.804 -6.875 482 H ALA 84 H ALA 84 1.981 29.683 -5.544 483 HA ALA 84 HA ALA 84 2.986 27.438 -4.147 484 HB1 ALA 84 1HB ALA 84 4.226 29.516 -4.936 485 HB2 ALA 84 2HB ALA 84 3.548 30.352 -3.531 486 HB3 ALA 84 3HB ALA 84 4.628 28.971 -3.291 487 H GLY 85 H GLY 85 3.468 27.319 -1.890 488 HA2 GLY 85 1HA GLY 85 3.244 27.597 0.347 489 HA3 GLY 85 2HA GLY 85 2.086 28.899 0.087 490 H LYS 86 H LYS 86 0.760 26.450 -1.630 491 HA LYS 86 HA LYS 86 -1.241 25.655 0.335 492 HB3 LYS 86 2HB LYS 86 -1.913 24.040 -1.424 493 HG3 LYS 86 2HG LYS 86 -2.229 25.455 -3.409 494 HD3 LYS 86 2HD LYS 86 -2.546 27.029 -0.804 495 HE3 LYS 86 2HE LYS 86 -4.290 28.203 -2.158 496 HZ1 LYS 86 3HZ LYS 86 -1.524 28.493 -3.173 497 HZ2 LYS 86 1HZ LYS 86 -2.160 29.215 -1.832 498 HZ3 LYS 86 2HZ LYS 86 -2.762 29.611 -3.284 499 H ARG 87 H ARG 87 -1.515 23.344 1.001 500 HA ARG 87 HA ARG 87 1.128 21.986 1.347 501 HB3 ARG 87 2HB ARG 87 0.720 21.717 3.729 502 HG3 ARG 87 2HG ARG 87 0.441 24.669 2.990 503 HD3 ARG 87 2HD ARG 87 1.336 23.269 5.521 504 HE ARG 87 HE ARG 87 2.702 25.036 5.746 505 HH11 ARG 87 1HH1 ARG 87 -0.348 26.427 4.408 506 HH12 ARG 87 2HH1 ARG 87 0.231 28.043 4.700 507 HH21 ARG 87 1HH2 ARG 87 3.152 27.092 6.359 508 HH22 ARG 87 2HH2 ARG 87 2.022 28.407 6.110 509 H LEU 88 H LEU 88 0.949 19.698 1.903 510 HA LEU 88 HA LEU 88 -1.629 18.438 2.079 511 HB3 LEU 88 2HB LEU 88 0.101 17.620 -0.294 512 HG LEU 88 HG LEU 88 -2.042 17.049 -1.352 513 HD11 LEU 88 1HD1 LEU 88 -0.748 15.313 -0.201 514 HD12 LEU 88 2HD1 LEU 88 -2.482 14.984 -0.272 515 HD13 LEU 88 3HD1 LEU 88 -1.750 15.552 1.256 516 HD21 LEU 88 3HD2 LEU 88 -4.107 16.913 -0.206 517 HD22 LEU 88 1HD2 LEU 88 -3.502 18.567 0.020 518 HD23 LEU 88 2HD2 LEU 88 -3.397 17.377 1.351 519 H HIS 89 H HIS 89 -1.062 17.159 3.758 520 HA HIS 89 HA HIS 89 1.585 15.749 3.686 521 HB3 HIS 89 2HB HIS 89 -0.344 16.160 5.992 522 HD1 HIS 89 1HD HIS 89 3.211 16.382 6.906 523 HD2 HIS 89 2HD HIS 89 0.340 13.321 6.368 524 HE1 HIS 89 1HE HIS 89 4.083 14.309 8.129 525 H ILE 90 H ILE 90 1.453 13.504 3.470 526 HA ILE 90 HA ILE 90 -1.236 12.269 3.601 527 HB ILE 90 HB ILE 90 0.734 11.993 1.362 528 HG13 ILE 90 2HG1 ILE 90 -0.825 13.076 0.236 529 HG21 ILE 90 1HG2 ILE 90 -1.298 9.849 2.075 530 HG22 ILE 90 2HG2 ILE 90 -0.357 9.936 0.556 531 HG23 ILE 90 3HG2 ILE 90 0.463 9.680 2.073 532 HD11 ILE 90 3HD1 ILE 90 -3.022 11.209 1.205 533 HD12 ILE 90 1HD1 ILE 90 -3.150 12.414 -0.092 534 HD13 ILE 90 2HD1 ILE 90 -2.110 11.007 -0.307 535 H THR 91 H THR 91 -1.342 10.690 4.860 536 HA THR 91 HA THR 91 1.056 9.570 6.157 537 HB THR 91 HB THR 91 -1.812 9.422 7.111 538 HG1 THR 91 1HG THR 91 -1.630 11.323 8.172 539 HG21 THR 91 3HG2 THR 91 0.831 9.787 8.577 540 HG22 THR 91 1HG2 THR 91 0.035 8.214 8.299 541 HG23 THR 91 2HG2 THR 91 -0.738 9.446 9.313 542 H VAL 92 H VAL 92 1.473 7.398 5.713 543 HA VAL 92 HA VAL 92 -0.539 5.851 4.198 544 HB VAL 92 HB VAL 92 1.795 5.153 2.982 545 HG11 VAL 92 1HG1 VAL 92 1.018 6.651 1.133 546 HG12 VAL 92 2HG1 VAL 92 -0.257 5.670 1.839 547 HG13 VAL 92 3HG1 VAL 92 -0.139 7.395 2.267 548 HG21 VAL 92 3HG2 VAL 92 3.135 6.961 4.048 549 HG22 VAL 92 1HG2 VAL 92 3.032 7.166 2.305 550 HG23 VAL 92 2HG2 VAL 92 2.053 8.182 3.360 551 H ILE 93 H ILE 93 -1.100 4.039 5.315 552 HA ILE 93 HA ILE 93 0.969 2.624 6.827 553 HB ILE 93 HB ILE 93 -1.961 2.919 7.571 554 HG13 ILE 93 2HG1 ILE 93 0.191 4.966 8.064 555 HG21 ILE 93 1HG2 ILE 93 0.483 2.220 9.227 556 HG22 ILE 93 2HG2 ILE 93 -1.187 2.304 9.805 557 HG23 ILE 93 3HG2 ILE 93 -0.755 1.092 8.621 558 HD11 ILE 93 3HD1 ILE 93 -1.812 5.565 6.757 559 HD12 ILE 93 1HD1 ILE 93 -2.859 4.977 8.049 560 HD13 ILE 93 2HD1 ILE 93 -1.855 6.412 8.320 561 H GLY 94 H GLY 94 0.867 0.479 6.505 562 HA2 GLY 94 1HA GLY 94 -1.364 -0.763 4.916 563 HA3 GLY 94 2HA GLY 94 0.292 -1.393 4.945 564 H TYR 95 H TYR 95 -1.648 -3.206 5.643 565 HA TYR 95 HA TYR 95 -1.034 -3.638 8.470 566 HB3 TYR 95 2HB TYR 95 -3.714 -4.251 8.449 567 HD1 TYR 95 2HD TYR 95 -3.104 -0.551 8.154 568 HD2 TYR 95 1HD TYR 95 -3.203 -4.018 10.739 569 HE1 TYR 95 2HE TYR 95 -3.240 0.928 10.107 570 HE2 TYR 95 1HE TYR 95 -3.387 -2.556 12.711 571 HH TYR 95 HH TYR 95 -4.018 -0.378 13.336 572 H ILE 96 H ILE 96 -1.310 -5.996 9.081 573 HA ILE 96 HA ILE 96 -2.345 -7.625 6.777 574 HB ILE 96 HB ILE 96 0.029 -8.421 8.438 575 HG13 ILE 96 2HG1 ILE 96 0.781 -6.634 7.033 576 HG21 ILE 96 1HG2 ILE 96 -1.388 -10.292 7.703 577 HG22 ILE 96 2HG2 ILE 96 -1.320 -9.718 6.033 578 HG23 ILE 96 3HG2 ILE 96 0.141 -10.333 6.843 579 HD11 ILE 96 3HD1 ILE 96 2.351 -7.652 5.431 580 HD12 ILE 96 1HD1 ILE 96 2.342 -8.596 6.926 581 HD13 ILE 96 2HD1 ILE 96 1.483 -9.151 5.465 582 H ASP 97 H ASP 97 -4.230 -8.341 7.441 583 HA ASP 97 HA ASP 97 -5.888 -9.090 8.535 584 HB3 ASP 97 2HB ASP 97 -4.525 -10.359 10.852 585 H ASP 98 H ASP 98 -3.836 -8.332 11.357 586 HA ASP 98 HA ASP 98 -5.625 -5.990 11.903 587 HB3 ASP 98 2HB ASP 98 -4.734 -7.967 14.002 588 H LYS 99 H LYS 99 -2.470 -6.953 11.433 589 HA LYS 99 HA LYS 99 -1.313 -5.298 13.601 590 HB3 LYS 99 2HB LYS 99 -0.673 -7.618 13.366 591 HG3 LYS 99 2HG LYS 99 1.076 -6.632 11.150 592 HD3 LYS 99 2HD LYS 99 0.051 -9.388 11.725 593 HE3 LYS 99 2HE LYS 99 2.760 -8.608 10.646 594 HZ1 LYS 99 3HZ LYS 99 2.120 -10.898 10.711 595 HZ2 LYS 99 1HZ LYS 99 2.305 -10.456 9.136 596 HZ3 LYS 99 2HZ LYS 99 0.795 -10.666 9.770 597 H GLU 100 H GLU 100 0.545 -3.829 13.113 598 HA GLU 100 HA GLU 100 0.231 -2.510 10.456 599 HB3 GLU 100 2HB GLU 100 0.830 -1.386 13.207 600 HG3 GLU 100 2HG GLU 100 0.025 0.052 10.652 601 H VAL 101 H VAL 101 2.077 -3.152 9.280 602 HA VAL 101 HA VAL 101 4.657 -3.412 10.740 603 HB VAL 101 HB VAL 101 5.252 -5.162 9.241 604 HG11 VAL 101 1HG1 VAL 101 3.708 -6.864 9.810 605 HG12 VAL 101 2HG1 VAL 101 3.577 -5.689 11.141 606 HG13 VAL 101 3HG1 VAL 101 2.348 -5.738 9.836 607 HG21 VAL 101 3HG2 VAL 101 4.206 -4.400 7.117 608 HG22 VAL 101 1HG2 VAL 101 3.791 -6.065 7.514 609 HG23 VAL 101 2HG2 VAL 101 2.593 -4.793 7.779 610 H ASN 102 H ASN 102 3.330 -1.201 8.655 611 HA ASN 102 HA ASN 102 5.835 -0.459 7.282 612 HB3 ASN 102 2HB ASN 102 3.640 -0.988 5.316 613 HD21 ASN 102 1HD2 ASN 102 5.643 0.669 4.592 614 HD22 ASN 102 2HD2 ASN 102 6.864 -0.231 3.690 615 H ARG 103 H ARG 103 5.581 1.474 7.923 616 HA ARG 103 HA ARG 103 3.205 3.182 7.219 617 HB3 ARG 103 2HB ARG 103 4.238 2.727 10.049 618 HG3 ARG 103 2HG ARG 103 2.077 4.677 9.136 619 HD3 ARG 103 2HD ARG 103 2.975 3.516 11.793 620 HE ARG 103 HE ARG 103 2.393 6.220 11.512 621 HH11 ARG 103 1HH1 ARG 103 0.918 3.460 13.267 622 HH12 ARG 103 2HH1 ARG 103 0.314 4.507 14.539 623 HH21 ARG 103 1HH2 ARG 103 1.890 7.431 13.448 624 HH22 ARG 103 2HH2 ARG 103 0.895 6.635 14.670 625 H LEU 104 H LEU 104 3.782 5.036 6.394 626 HA LEU 104 HA LEU 104 6.028 6.491 7.574 627 HB3 LEU 104 2HB LEU 104 7.062 5.248 5.730 628 HG LEU 104 HG LEU 104 4.889 5.687 4.135 629 HD11 LEU 104 1HD1 LEU 104 5.473 7.244 2.336 630 HD12 LEU 104 2HD1 LEU 104 6.915 7.785 3.242 631 HD13 LEU 104 3HD1 LEU 104 5.285 8.118 3.843 632 HD21 LEU 104 3HD2 LEU 104 7.758 5.376 3.190 633 HD22 LEU 104 1HD2 LEU 104 6.271 4.993 2.263 634 HD23 LEU 104 2HD2 LEU 104 6.661 4.077 3.710 635 H GLU 105 H GLU 105 6.142 8.736 6.428 636 HA GLU 105 HA GLU 105 3.479 9.882 5.884 637 HB3 GLU 105 2HB GLU 105 4.129 11.663 7.481 638 HG3 GLU 105 2HG GLU 105 3.050 9.277 8.281 639 H LYS 106 H LYS 106 3.700 11.990 4.780 640 HA LYS 106 HA LYS 106 6.290 12.963 4.138 641 HB3 LYS 106 2HB LYS 106 4.711 12.310 1.679 642 HG3 LYS 106 2HG LYS 106 7.682 12.629 2.296 643 HD3 LYS 106 2HD LYS 106 8.035 12.468 -0.134 644 HE3 LYS 106 2HE LYS 106 6.753 9.849 0.809 645 HZ1 LYS 106 3HZ LYS 106 9.198 10.606 -0.720 646 HZ2 LYS 106 1HZ LYS 106 7.846 9.998 -1.421 647 HZ3 LYS 106 2HZ LYS 106 8.765 9.055 -0.405 648 H GLU 107 H GLU 107 6.068 15.032 2.786 649 HA GLU 107 HA GLU 107 3.438 16.262 2.910 650 HB3 GLU 107 2HB GLU 107 4.771 16.678 4.936 651 HG3 GLU 107 2HG GLU 107 6.785 18.240 3.356 652 H TYR 108 H TYR 108 3.090 17.846 1.381 653 HA TYR 108 HA TYR 108 5.139 18.376 -0.682 654 HB3 TYR 108 2HB TYR 108 3.549 17.910 -2.375 655 HD1 TYR 108 2HD TYR 108 5.335 16.055 -2.097 656 HD2 TYR 108 1HD TYR 108 1.421 15.839 -0.425 657 HE1 TYR 108 2HE TYR 108 5.650 13.572 -1.720 658 HE2 TYR 108 1HE TYR 108 1.680 13.409 -0.031 659 HH TYR 108 HH TYR 108 3.297 11.621 0.109 660 H ILE 109 H ILE 109 5.141 20.507 -1.370 661 HA ILE 109 HA ILE 109 2.978 22.324 -0.559 662 HB ILE 109 HB ILE 109 5.896 22.755 0.209 663 HG13 ILE 109 2HG1 ILE 109 5.084 21.111 1.662 664 HG21 ILE 109 1HG2 ILE 109 5.292 24.807 1.246 665 HG22 ILE 109 2HG2 ILE 109 4.566 24.867 -0.353 666 HG23 ILE 109 3HG2 ILE 109 3.562 24.499 1.062 667 HD11 ILE 109 3HD1 ILE 109 4.894 22.031 3.852 668 HD12 ILE 109 1HD1 ILE 109 6.082 23.003 2.943 669 HD13 ILE 109 2HD1 ILE 109 4.429 23.617 3.235 670 H THR 110 H THR 110 2.641 23.735 -2.226 671 HA THR 110 HA THR 110 4.292 23.453 -4.601 672 HB THR 110 HB THR 110 2.744 25.664 -5.172 673 HG1 THR 110 1HG THR 110 0.913 25.619 -4.232 674 HG21 THR 110 3HG2 THR 110 2.840 23.808 -6.633 675 HG22 THR 110 1HG2 THR 110 1.145 24.028 -6.209 676 HG23 THR 110 2HG2 THR 110 2.104 22.716 -5.453 677 H ASP 111 H ASP 111 5.933 24.657 -5.281 678 HA ASP 111 HA ASP 111 6.822 27.008 -3.735 679 HB3 ASP 111 2HB ASP 111 8.436 25.222 -4.630 680 H GLY 112 H GLY 112 4.952 26.319 -6.539 681 HA2 GLY 112 1HA GLY 112 3.687 28.293 -7.491 682 HA3 GLY 112 2HA GLY 112 5.241 29.130 -7.545 683 H ASN 113 H ASN 113 5.745 25.780 -8.275 684 HA ASN 113 HA ASN 113 5.202 26.068 -11.146 685 HB3 ASN 113 2HB ASN 113 7.365 24.825 -11.343 686 HD21 ASN 113 1HD2 ASN 113 8.740 26.918 -9.019 687 HD22 ASN 113 2HD2 ASN 113 9.119 28.224 -10.120 688 H THR 114 H THR 114 5.768 23.543 -11.959 689 HA THR 114 HA THR 114 3.534 22.072 -11.047 690 HB THR 114 HB THR 114 4.840 20.252 -12.480 691 HG1 THR 114 1HG THR 114 6.779 21.630 -12.482 692 HG21 THR 114 3HG2 THR 114 3.828 21.233 -14.465 693 HG22 THR 114 1HG2 THR 114 3.790 22.844 -13.703 694 HG23 THR 114 2HG2 THR 114 2.776 21.534 -13.060 695 H LEU 115 H LEU 115 3.287 21.009 -9.309 696 HA LEU 115 HA LEU 115 5.528 19.764 -7.771 697 HB3 LEU 115 2HB LEU 115 2.631 20.283 -7.302 698 HG LEU 115 HG LEU 115 2.543 18.119 -6.351 699 HD11 LEU 115 1HD1 LEU 115 4.820 17.423 -6.022 700 HD12 LEU 115 2HD1 LEU 115 4.110 17.522 -4.454 701 HD13 LEU 115 3HD1 LEU 115 5.137 18.871 -5.043 702 HD21 LEU 115 3HD2 LEU 115 3.389 19.840 -3.997 703 HD22 LEU 115 1HD2 LEU 115 2.198 18.517 -4.037 704 HD23 LEU 115 2HD2 LEU 115 1.835 20.090 -4.762 705 H ILE 116 H ILE 116 5.750 17.753 -7.592 706 HA ILE 116 HA ILE 116 4.104 15.683 -8.622 707 HB ILE 116 HB ILE 116 6.734 16.145 -10.096 708 HG13 ILE 116 2HG1 ILE 116 4.951 17.364 -11.029 709 HG21 ILE 116 1HG2 ILE 116 6.549 13.751 -9.460 710 HG22 ILE 116 2HG2 ILE 116 4.919 13.683 -10.159 711 HG23 ILE 116 3HG2 ILE 116 6.341 13.964 -11.185 712 HD11 ILE 116 3HD1 ILE 116 6.280 15.995 -12.722 713 HD12 ILE 116 1HD1 ILE 116 4.876 14.886 -12.755 714 HD13 ILE 116 2HD1 ILE 116 4.688 16.572 -13.237 715 H GLU 117 H GLU 117 4.473 14.016 -7.336 716 HA GLU 117 HA GLU 117 7.087 13.458 -6.167 717 HB3 GLU 117 2HB GLU 117 5.488 13.401 -3.864 718 HG3 GLU 117 2HG GLU 117 7.061 15.321 -3.198 719 H THR 118 H THR 118 6.975 11.446 -4.694 720 HA THR 118 HA THR 118 4.748 9.596 -5.347 721 HB THR 118 HB THR 118 6.498 7.863 -5.851 722 HG1 THR 118 1HG THR 118 8.486 8.384 -6.203 723 HG21 THR 118 3HG2 THR 118 5.130 8.636 -7.630 724 HG22 THR 118 1HG2 THR 118 6.778 8.440 -8.224 725 HG23 THR 118 2HG2 THR 118 6.149 10.067 -7.888 726 H PHE 119 H PHE 119 4.763 7.724 -4.089 727 HA PHE 119 HA PHE 119 6.570 7.544 -1.787 728 HB3 PHE 119 2HB PHE 119 5.047 8.897 -0.659 729 HD1 PHE 119 2HD PHE 119 3.706 10.227 -2.419 730 HD2 PHE 119 1HD PHE 119 2.345 6.475 -0.814 731 HE1 PHE 119 2HE PHE 119 1.439 10.600 -3.395 732 HE2 PHE 119 1HE PHE 119 0.084 6.933 -1.641 733 HZ PHE 119 HZ PHE 119 -0.386 8.942 -2.975 734 H SER 120 H SER 120 6.240 5.373 -0.626 735 HA SER 120 HA SER 120 4.442 3.568 -1.905 736 HB3 SER 120 2HB SER 120 6.276 3.240 -3.470 737 HG SER 120 HG SER 120 7.813 2.756 -1.121 738 H VAL 121 H VAL 121 3.712 2.047 -0.539 739 HA VAL 121 HA VAL 121 5.100 1.393 1.983 740 HB VAL 121 HB VAL 121 3.437 3.240 2.296 741 HG11 VAL 121 1HG1 VAL 121 1.300 1.587 1.400 742 HG12 VAL 121 2HG1 VAL 121 1.213 3.129 2.276 743 HG13 VAL 121 3HG1 VAL 121 2.063 3.116 0.740 744 HG21 VAL 121 3HG2 VAL 121 2.278 0.728 3.480 745 HG22 VAL 121 1HG2 VAL 121 3.699 1.562 4.197 746 HG23 VAL 121 2HG2 VAL 121 2.113 2.385 4.091 747 H SER 122 H SER 122 5.561 -0.732 1.521 748 HA SER 122 HA SER 122 3.532 -2.421 0.177 749 HB3 SER 122 2HB SER 122 5.102 -3.939 -0.161 750 HG SER 122 HG SER 122 7.202 -2.213 0.131 751 H THR 123 H THR 123 3.803 -4.803 1.678 752 HA THR 123 HA THR 123 3.834 -3.938 4.517 753 HB THR 123 HB THR 123 2.097 -5.656 4.992 754 HG1 THR 123 1HG THR 123 2.361 -7.076 3.276 755 HG21 THR 123 3HG2 THR 123 1.341 -3.345 4.509 756 HG22 THR 123 1HG2 THR 123 0.139 -4.591 4.116 757 HG23 THR 123 2HG2 THR 123 1.058 -3.787 2.828 758 H LYS 124 H LYS 124 5.545 -5.741 2.304 759 HA LYS 124 HA LYS 124 5.445 -8.303 3.753 760 HB3 LYS 124 2HB LYS 124 5.120 -8.370 1.399 761 HG3 LYS 124 2HG LYS 124 7.582 -7.872 0.158 762 HD3 LYS 124 2HD LYS 124 6.661 -5.732 -0.578 763 HE3 LYS 124 2HE LYS 124 4.327 -7.573 -0.498 764 HZ1 LYS 124 3HZ LYS 124 6.127 -6.827 -2.773 765 HZ2 LYS 124 1HZ LYS 124 4.900 -5.861 -2.349 766 HZ3 LYS 124 2HZ LYS 124 4.610 -7.380 -2.964 767 H GLU 125 H GLU 125 6.542 -7.290 5.336 768 HA GLU 125 HA GLU 125 9.486 -7.866 5.321 769 HB3 GLU 125 2HB GLU 125 9.640 -6.365 7.396 770 HG3 GLU 125 2HG GLU 125 9.487 -4.236 6.150 771 H ILE 126 H ILE 126 10.355 -8.988 6.590 772 HA ILE 126 HA ILE 126 11.009 -10.600 8.041 773 HB ILE 126 HB ILE 126 8.863 -9.434 9.848 774 HG13 ILE 126 2HG1 ILE 126 10.595 -7.804 8.987 775 HG21 ILE 126 1HG2 ILE 126 11.282 -11.179 10.536 776 HG22 ILE 126 2HG2 ILE 126 10.311 -10.327 11.733 777 HG23 ILE 126 3HG2 ILE 126 9.568 -11.587 10.789 778 HD11 ILE 126 3HD1 ILE 126 11.380 -6.845 10.966 779 HD12 ILE 126 1HD1 ILE 126 9.767 -7.496 11.327 780 HD13 ILE 126 2HD1 ILE 126 11.242 -8.339 11.886 Start of MODEL 19 1 H1 GLY 1 H GLY 1 9.368 -27.906 0.083 2 HA2 GLY 1 1HA GLY 1 10.395 -29.968 1.960 3 HA3 GLY 1 2HA GLY 1 11.428 -28.836 1.055 4 H ALA 2 H ALA 2 12.176 -27.231 2.423 5 HA ALA 2 HA ALA 2 10.552 -26.255 4.671 6 HB1 ALA 2 1HB ALA 2 12.456 -24.594 4.781 7 HB2 ALA 2 2HB ALA 2 12.944 -26.287 4.984 8 HB3 ALA 2 3HB ALA 2 13.229 -25.448 3.444 9 H SER 3 H SER 3 9.162 -24.490 4.500 10 HA SER 3 HA SER 3 9.209 -22.693 2.199 11 HB3 SER 3 2HB SER 3 8.048 -24.416 1.091 12 HG SER 3 HG SER 3 6.310 -25.564 2.202 13 H ASP 4 H ASP 4 7.991 -20.796 2.645 14 HA ASP 4 HA ASP 4 6.894 -20.565 5.392 15 HB3 ASP 4 2HB ASP 4 8.742 -18.573 4.057 16 H PHE 5 H PHE 5 4.799 -19.931 5.204 17 HA PHE 5 HA PHE 5 3.961 -17.933 3.214 18 HB3 PHE 5 2HB PHE 5 1.952 -19.113 2.784 19 HD1 PHE 5 1HD PHE 5 4.478 -19.404 1.181 20 HD2 PHE 5 2HD PHE 5 2.033 -22.333 3.190 21 HE1 PHE 5 1HE PHE 5 5.269 -21.164 -0.392 22 HE2 PHE 5 2HE PHE 5 2.721 -24.040 1.569 23 HZ PHE 5 HZ PHE 5 4.383 -23.485 -0.222 24 H GLN 6 H GLN 6 3.526 -16.245 4.617 25 HA GLN 6 HA GLN 6 1.858 -16.719 7.011 26 HB3 GLN 6 2HB GLN 6 3.332 -14.853 7.952 27 HG3 GLN 6 2HG GLN 6 5.146 -17.208 7.809 28 HE21 GLN 6 1HE2 GLN 6 6.148 -15.428 9.196 29 HE22 GLN 6 2HE2 GLN 6 5.647 -15.306 10.873 30 H THR 7 H THR 7 0.005 -15.849 6.348 31 HA THR 7 HA THR 7 -0.232 -13.026 5.783 32 HB THR 7 HB THR 7 0.282 -13.630 3.587 33 HG1 THR 7 1HG THR 7 -1.611 -13.447 2.449 34 HG21 THR 7 3HG2 THR 7 0.203 -16.056 3.727 35 HG22 THR 7 1HG2 THR 7 -0.822 -15.546 2.389 36 HG23 THR 7 2HG2 THR 7 -1.559 -15.992 3.933 37 H GLY 8 H GLY 8 -2.640 -12.591 5.460 38 HA2 GLY 8 1HA GLY 8 -4.564 -14.481 6.519 39 HA3 GLY 8 2HA GLY 8 -4.190 -13.169 7.650 40 H ILE 9 H ILE 9 -4.880 -11.045 7.134 41 HA ILE 9 HA ILE 9 -6.096 -10.554 4.487 42 HB ILE 9 HB ILE 9 -7.354 -9.767 7.151 43 HG13 ILE 9 2HG1 ILE 9 -7.971 -12.047 5.295 44 HG21 ILE 9 1HG2 ILE 9 -8.270 -9.327 4.276 45 HG22 ILE 9 2HG2 ILE 9 -9.239 -8.943 5.715 46 HG23 ILE 9 3HG2 ILE 9 -7.739 -8.070 5.413 47 HD11 ILE 9 3HD1 ILE 9 -7.146 -12.439 7.686 48 HD12 ILE 9 1HD1 ILE 9 -8.605 -11.614 8.253 49 HD13 ILE 9 2HD1 ILE 9 -8.739 -13.132 7.357 50 H HIS 10 H HIS 10 -5.101 -8.928 3.592 51 HA HIS 10 HA HIS 10 -3.409 -7.112 5.148 52 HB3 HIS 10 2HB HIS 10 -3.076 -6.211 2.748 53 HD1 HIS 10 1HD HIS 10 -0.657 -6.478 3.485 54 HD2 HIS 10 2HD HIS 10 -2.718 -10.092 2.898 55 HE1 HIS 10 1HE HIS 10 1.127 -8.364 3.544 56 H LYS 11 H LYS 11 -3.779 -5.000 5.440 57 HA LYS 11 HA LYS 11 -6.156 -3.653 4.361 58 HB3 LYS 11 2HB LYS 11 -7.208 -3.818 6.406 59 HG3 LYS 11 2HG LYS 11 -4.525 -4.545 7.618 60 HD3 LYS 11 2HD LYS 11 -5.995 -2.951 9.134 61 HE3 LYS 11 2HE LYS 11 -7.371 -5.633 9.578 62 HZ1 LYS 11 3HZ LYS 11 -8.281 -3.012 10.509 63 HZ2 LYS 11 1HZ LYS 11 -7.220 -3.910 11.413 64 HZ3 LYS 11 2HZ LYS 11 -8.697 -4.508 11.058 65 H ILE 12 H ILE 12 -5.712 -1.363 3.948 66 HA ILE 12 HA ILE 12 -3.168 -0.324 4.977 67 HB ILE 12 HB ILE 12 -3.310 -1.220 2.503 68 HG13 ILE 12 2HG1 ILE 12 -1.704 0.548 3.760 69 HG21 ILE 12 1HG2 ILE 12 -5.348 -0.148 1.765 70 HG22 ILE 12 2HG2 ILE 12 -4.659 1.463 2.049 71 HG23 ILE 12 3HG2 ILE 12 -3.951 0.430 0.815 72 HD11 ILE 12 3HD1 ILE 12 -0.323 0.591 1.651 73 HD12 ILE 12 1HD1 ILE 12 -0.831 -1.015 2.214 74 HD13 ILE 12 2HD1 ILE 12 -1.667 -0.255 0.849 75 H VAL 13 H VAL 13 -3.286 2.042 5.219 76 HA VAL 13 HA VAL 13 -6.007 3.233 5.106 77 HB VAL 13 HB VAL 13 -4.064 3.341 7.464 78 HG11 VAL 13 1HG1 VAL 13 -5.852 4.606 8.608 79 HG12 VAL 13 2HG1 VAL 13 -5.290 5.457 7.173 80 HG13 VAL 13 3HG1 VAL 13 -6.827 4.576 7.124 81 HG21 VAL 13 3HG2 VAL 13 -5.862 2.209 8.748 82 HG22 VAL 13 1HG2 VAL 13 -6.815 2.021 7.258 83 HG23 VAL 13 2HG2 VAL 13 -5.269 1.177 7.450 84 H ILE 14 H ILE 14 -5.925 5.362 4.367 85 HA ILE 14 HA ILE 14 -3.222 6.633 4.310 86 HB ILE 14 HB ILE 14 -5.093 6.666 1.918 87 HG13 ILE 14 2HG1 ILE 14 -4.162 4.359 2.261 88 HG21 ILE 14 1HG2 ILE 14 -3.206 7.696 0.726 89 HG22 ILE 14 2HG2 ILE 14 -3.730 8.659 2.100 90 HG23 ILE 14 3HG2 ILE 14 -2.266 7.676 2.229 91 HD11 ILE 14 3HD1 ILE 14 -4.727 5.065 0.033 92 HD12 ILE 14 1HD1 ILE 14 -3.062 5.678 -0.211 93 HD13 ILE 14 2HD1 ILE 14 -3.356 3.959 0.104 94 H GLN 15 H GLN 15 -3.303 8.868 4.716 95 HA GLN 15 HA GLN 15 -5.946 10.183 4.750 96 HB3 GLN 15 2HB GLN 15 -5.452 11.168 6.974 97 HG3 GLN 15 2HG GLN 15 -6.393 8.632 6.865 98 HE21 GLN 15 1HE2 GLN 15 -5.611 7.949 9.824 99 HE22 GLN 15 2HE2 GLN 15 -4.336 6.801 9.588 100 H GLN 16 H GLN 16 -5.538 12.616 5.282 101 HA GLN 16 HA GLN 16 -2.969 13.625 4.307 102 HB3 GLN 16 2HB GLN 16 -4.049 13.155 2.216 103 HG3 GLN 16 2HG GLN 16 -6.487 14.647 3.293 104 HE21 GLN 16 1HE2 GLN 16 -7.737 12.789 1.147 105 HE22 GLN 16 2HE2 GLN 16 -7.319 13.516 -0.415 106 H SER 17 H SER 17 -3.049 16.089 4.178 107 HA SER 17 HA SER 17 -5.251 17.444 5.437 108 HB3 SER 17 2HB SER 17 -4.533 17.015 7.559 109 HG SER 17 HG SER 17 -1.834 17.511 7.329 110 H GLY 18 H GLY 18 -5.416 19.503 4.692 111 HA2 GLY 18 1HA GLY 18 -4.054 21.633 4.451 112 HA3 GLY 18 2HA GLY 18 -3.072 20.706 3.293 113 H ASP 19 H ASP 19 -3.567 21.165 1.269 114 HA ASP 19 HA ASP 19 -6.065 22.598 0.684 115 HB3 ASP 19 2HB ASP 19 -3.896 22.533 -1.374 116 H THR 20 H THR 20 -6.998 20.317 0.938 117 HA THR 20 HA THR 20 -6.579 18.354 -1.125 118 HB THR 20 HB THR 20 -8.349 17.183 0.148 119 HG1 THR 20 1HG THR 20 -9.627 19.058 0.331 120 HG21 THR 20 3HG2 THR 20 -6.743 18.711 2.243 121 HG22 THR 20 1HG2 THR 20 -6.145 17.324 1.325 122 HG23 THR 20 2HG2 THR 20 -7.516 17.126 2.410 123 H ASP 21 H ASP 21 -7.133 20.567 -2.544 124 HA ASP 21 HA ASP 21 -9.832 20.043 -3.703 125 HB3 ASP 21 2HB ASP 21 -8.930 22.885 -3.352 126 H SER 22 H SER 22 -6.490 21.097 -4.154 127 HA SER 22 HA SER 22 -6.763 21.271 -7.074 128 HB3 SER 22 2HB SER 22 -4.924 23.096 -6.275 129 HG SER 22 HG SER 22 -6.597 24.630 -6.341 130 H PHE 23 H PHE 23 -6.039 18.959 -5.689 131 HA PHE 23 HA PHE 23 -3.123 18.636 -6.195 132 HB3 PHE 23 2HB PHE 23 -3.766 18.762 -3.754 133 HD1 PHE 23 1HD PHE 23 -6.721 18.456 -4.285 134 HD2 PHE 23 2HD PHE 23 -3.849 15.477 -3.029 135 HE1 PHE 23 1HE PHE 23 -8.529 17.108 -3.390 136 HE2 PHE 23 2HE PHE 23 -5.661 14.248 -1.945 137 HZ PHE 23 HZ PHE 23 -8.012 15.054 -2.095 138 H GLU 24 H GLU 24 -2.554 16.421 -6.838 139 HA GLU 24 HA GLU 24 -4.761 14.653 -7.828 140 HB3 GLU 24 2HB GLU 24 -2.171 15.317 -9.270 141 HG3 GLU 24 2HG GLU 24 -4.539 13.486 -9.769 142 H VAL 25 H VAL 25 -4.565 13.048 -6.319 143 HA VAL 25 HA VAL 25 -1.898 11.715 -6.040 144 HB VAL 25 HB VAL 25 -2.369 12.720 -4.031 145 HG11 VAL 25 1HG1 VAL 25 -5.129 11.950 -3.910 146 HG12 VAL 25 2HG1 VAL 25 -4.094 12.710 -2.610 147 HG13 VAL 25 3HG1 VAL 25 -4.345 13.510 -4.122 148 HG21 VAL 25 3HG2 VAL 25 -2.142 11.054 -2.465 149 HG22 VAL 25 1HG2 VAL 25 -2.980 9.891 -3.520 150 HG23 VAL 25 2HG2 VAL 25 -1.412 10.518 -4.005 151 H SER 26 H SER 26 -2.233 10.364 -7.767 152 HA SER 26 HA SER 26 -4.431 8.382 -7.456 153 HB3 SER 26 2HB SER 26 -4.541 8.873 -9.615 154 HG SER 26 HG SER 26 -2.684 9.496 -10.916 155 H VAL 27 H VAL 27 -3.977 6.689 -6.339 156 HA VAL 27 HA VAL 27 -1.221 5.524 -6.436 157 HB VAL 27 HB VAL 27 -1.556 4.562 -4.238 158 HG11 VAL 27 1HG1 VAL 27 -1.592 6.841 -2.923 159 HG12 VAL 27 2HG1 VAL 27 -0.300 6.497 -4.050 160 HG13 VAL 27 3HG1 VAL 27 -1.634 7.582 -4.522 161 HG21 VAL 27 3HG2 VAL 27 -3.283 5.502 -2.677 162 HG22 VAL 27 1HG2 VAL 27 -4.158 6.099 -4.107 163 HG23 VAL 27 2HG2 VAL 27 -3.812 4.347 -3.858 164 H SER 28 H SER 28 -1.019 3.377 -7.027 165 HA SER 28 HA SER 28 -3.344 2.024 -8.183 166 HB3 SER 28 2HB SER 28 -1.744 0.180 -8.533 167 HG SER 28 HG SER 28 -1.588 1.481 -10.189 168 H ILE 29 H ILE 29 -4.358 0.146 -7.260 169 HA ILE 29 HA ILE 29 -3.433 -0.649 -4.555 170 HB ILE 29 HB ILE 29 -6.280 -0.234 -5.514 171 HG13 ILE 29 2HG1 ILE 29 -4.961 1.786 -4.591 172 HG21 ILE 29 1HG2 ILE 29 -7.116 -1.323 -3.595 173 HG22 ILE 29 2HG2 ILE 29 -5.746 -2.361 -3.991 174 HG23 ILE 29 3HG2 ILE 29 -5.585 -1.192 -2.701 175 HD11 ILE 29 3HD1 ILE 29 -7.284 2.050 -4.292 176 HD12 ILE 29 1HD1 ILE 29 -7.362 0.843 -2.998 177 HD13 ILE 29 2HD1 ILE 29 -6.547 2.402 -2.730 178 H GLY 30 H GLY 30 -2.669 -2.638 -4.751 179 HA2 GLY 30 1HA GLY 30 -4.108 -4.646 -6.256 180 HA3 GLY 30 2HA GLY 30 -2.531 -4.206 -6.930 181 H GLY 31 H GLY 31 -2.765 -6.705 -6.242 182 HA2 GLY 31 1HA GLY 31 -0.680 -7.199 -4.471 183 HA3 GLY 31 2HA GLY 31 -2.226 -7.635 -3.690 184 H ALA 32 H ALA 32 -0.818 -9.810 -4.171 185 HA ALA 32 HA ALA 32 -2.319 -11.035 -6.385 186 HB1 ALA 32 1HB ALA 32 0.559 -11.760 -5.747 187 HB2 ALA 32 2HB ALA 32 -0.456 -12.481 -6.975 188 HB3 ALA 32 3HB ALA 32 0.056 -10.792 -7.170 189 H ASP 33 H ASP 33 -2.488 -13.325 -6.092 190 HA ASP 33 HA ASP 33 -2.240 -14.295 -3.326 191 HB3 ASP 33 2HB ASP 33 -4.684 -13.633 -4.077 192 H LYS 34 H LYS 34 -2.972 -16.826 -3.626 193 HA LYS 34 HA LYS 34 -0.740 -17.960 -4.910 194 HB3 LYS 34 2HB LYS 34 -3.253 -19.465 -4.055 195 HG3 LYS 34 2HG LYS 34 -0.277 -20.042 -4.192 196 HD3 LYS 34 2HD LYS 34 -1.073 -20.824 -1.997 197 HE3 LYS 34 2HE LYS 34 -3.463 -21.164 -2.386 198 HZ1 LYS 34 3HZ LYS 34 -3.502 -22.040 -4.602 199 HZ2 LYS 34 1HZ LYS 34 -4.073 -23.240 -3.596 200 HZ3 LYS 34 2HZ LYS 34 -2.549 -23.314 -4.192 201 H GLY 35 H GLY 35 -3.964 -17.316 -6.150 202 HA2 GLY 35 1HA GLY 35 -3.761 -19.128 -8.457 203 HA3 GLY 35 2HA GLY 35 -4.948 -17.830 -8.172 204 H GLY 36 H GLY 36 -3.508 -15.688 -7.675 205 HA2 GLY 36 1HA GLY 36 -1.391 -14.730 -9.045 206 HA3 GLY 36 2HA GLY 36 -2.544 -14.978 -10.370 207 HA PRO 37 HA PRO 37 -4.250 -11.103 -9.289 208 HB3 PRO 37 2HB PRO 37 -5.612 -11.284 -11.150 209 HG3 PRO 37 2HG PRO 37 -6.772 -13.264 -11.611 210 HD3 PRO 37 2HD PRO 37 -4.539 -13.980 -11.384 211 H ALA 38 H ALA 38 -4.762 -10.084 -7.552 212 HA ALA 38 HA ALA 38 -6.262 -11.314 -5.286 213 HB1 ALA 38 1HB ALA 38 -5.747 -9.064 -4.228 214 HB2 ALA 38 2HB ALA 38 -4.304 -10.036 -4.610 215 HB3 ALA 38 3HB ALA 38 -4.804 -8.649 -5.640 216 H LYS 39 H LYS 39 -8.473 -10.741 -4.988 217 HA LYS 39 HA LYS 39 -9.617 -8.494 -6.535 218 HB3 LYS 39 2HB LYS 39 -11.684 -9.085 -5.243 219 HG3 LYS 39 2HG LYS 39 -10.858 -11.601 -6.673 220 HD3 LYS 39 2HD LYS 39 -13.149 -9.620 -6.863 221 HE3 LYS 39 2HE LYS 39 -13.037 -12.289 -8.302 222 HZ1 LYS 39 3HZ LYS 39 -15.162 -11.078 -8.004 223 HZ2 LYS 39 1HZ LYS 39 -14.757 -11.296 -9.587 224 HZ3 LYS 39 2HZ LYS 39 -14.541 -9.821 -8.868 225 H LEU 40 H LEU 40 -9.791 -6.532 -5.676 226 HA LEU 40 HA LEU 40 -9.014 -6.082 -2.848 227 HB3 LEU 40 2HB LEU 40 -8.743 -3.742 -3.554 228 HG LEU 40 HG LEU 40 -7.008 -3.647 -5.120 229 HD11 LEU 40 1HD1 LEU 40 -6.493 -4.533 -2.844 230 HD12 LEU 40 2HD1 LEU 40 -5.333 -5.077 -4.066 231 HD13 LEU 40 3HD1 LEU 40 -6.593 -6.187 -3.488 232 HD21 LEU 40 3HD2 LEU 40 -7.935 -5.195 -6.829 233 HD22 LEU 40 1HD2 LEU 40 -7.212 -6.533 -5.900 234 HD23 LEU 40 2HD2 LEU 40 -6.191 -5.257 -6.586 235 H TYR 41 H TYR 41 -10.389 -4.650 -1.589 236 HA TYR 41 HA TYR 41 -13.209 -4.627 -2.532 237 HB3 TYR 41 2HB TYR 41 -13.720 -5.040 -0.094 238 HD1 TYR 41 1HD TYR 41 -11.081 -7.302 -1.632 239 HD2 TYR 41 2HD TYR 41 -15.168 -6.808 -0.342 240 HE1 TYR 41 1HE TYR 41 -11.555 -9.567 -2.337 241 HE2 TYR 41 2HE TYR 41 -15.654 -9.132 -1.006 242 HH TYR 41 HH TYR 41 -14.436 -11.237 -1.267 243 H ASN 42 H ASN 42 -14.572 -3.099 -1.639 244 HA ASN 42 HA ASN 42 -13.270 -0.613 -0.702 245 HB3 ASN 42 2HB ASN 42 -14.754 0.095 -2.402 246 HD21 ASN 42 1HD2 ASN 42 -17.862 0.120 -1.880 247 HD22 ASN 42 2HD2 ASN 42 -18.287 -1.289 -2.794 248 H ASP 43 H ASP 43 -14.494 0.588 0.886 249 HA ASP 43 HA ASP 43 -14.349 -0.986 3.282 250 HB3 ASP 43 2HB ASP 43 -13.352 1.221 2.934 251 H LYS 44 H LYS 44 -16.876 -0.716 1.270 252 HA LYS 44 HA LYS 44 -19.159 -0.656 3.062 253 HB3 LYS 44 2HB LYS 44 -18.475 -1.126 0.150 254 HG3 LYS 44 2HG LYS 44 -20.879 -1.861 1.480 255 HD3 LYS 44 2HD LYS 44 -21.198 0.175 -0.743 256 HE3 LYS 44 2HE LYS 44 -23.301 -1.110 1.043 257 HZ1 LYS 44 3HZ LYS 44 -23.810 1.070 0.003 258 HZ2 LYS 44 1HZ LYS 44 -24.784 -0.137 -0.583 259 HZ3 LYS 44 2HZ LYS 44 -23.533 0.423 -1.478 260 H GLY 45 H GLY 45 -16.747 -2.840 1.718 261 HA2 GLY 45 1HA GLY 45 -16.313 -4.952 2.563 262 HA3 GLY 45 2HA GLY 45 -18.016 -5.219 2.948 263 H GLU 46 H GLU 46 -17.396 -3.779 -0.160 264 HA GLU 46 HA GLU 46 -18.320 -6.285 -1.501 265 HB3 GLU 46 2HB GLU 46 -18.588 -4.642 -3.516 266 HG3 GLU 46 2HG GLU 46 -20.698 -3.551 -2.551 267 H TYR 47 H TYR 47 -17.247 -6.604 -3.558 268 HA TYR 47 HA TYR 47 -14.374 -5.948 -3.575 269 HB3 TYR 47 2HB TYR 47 -15.471 -8.266 -4.176 270 HD1 TYR 47 2HD TYR 47 -17.758 -8.102 -5.347 271 HD2 TYR 47 1HD TYR 47 -14.052 -7.219 -7.357 272 HE1 TYR 47 2HE TYR 47 -18.844 -8.550 -7.504 273 HE2 TYR 47 1HE TYR 47 -15.111 -7.680 -9.531 274 HH TYR 47 HH TYR 47 -18.542 -8.819 -9.762 275 H ILE 48 H ILE 48 -13.485 -4.731 -5.370 276 HA ILE 48 HA ILE 48 -15.398 -3.367 -7.180 277 HB ILE 48 HB ILE 48 -13.886 -1.237 -6.888 278 HG13 ILE 48 2HG1 ILE 48 -12.412 -2.453 -5.136 279 HG21 ILE 48 1HG2 ILE 48 -15.567 -0.433 -5.112 280 HG22 ILE 48 2HG2 ILE 48 -16.223 -1.122 -6.608 281 HG23 ILE 48 3HG2 ILE 48 -16.188 -2.081 -5.127 282 HD11 ILE 48 3HD1 ILE 48 -13.608 0.288 -4.509 283 HD12 ILE 48 1HD1 ILE 48 -12.145 -0.372 -3.794 284 HD13 ILE 48 2HD1 ILE 48 -12.208 -0.051 -5.545 285 H GLY 49 H GLY 49 -12.506 -5.164 -6.974 286 HA2 GLY 49 1HA GLY 49 -12.459 -5.486 -9.676 287 HA3 GLY 49 2HA GLY 49 -11.357 -4.121 -9.419 288 H ASP 50 H ASP 50 -10.135 -6.079 -10.459 289 HA ASP 50 HA ASP 50 -8.405 -7.076 -8.318 290 HB3 ASP 50 2HB ASP 50 -9.099 -9.109 -8.777 291 H SER 51 H SER 51 -8.694 -4.716 -10.275 292 HA SER 51 HA SER 51 -6.094 -4.001 -9.544 293 HB3 SER 51 2HB SER 51 -6.596 -4.636 -12.397 294 HG SER 51 HG SER 51 -6.285 -2.737 -13.098 295 H TYR 52 H TYR 52 -6.121 -1.702 -9.278 296 HA TYR 52 HA TYR 52 -7.355 -0.085 -11.163 297 HB3 TYR 52 2HB TYR 52 -9.518 -0.367 -10.172 298 HD1 TYR 52 1HD TYR 52 -8.162 1.441 -7.253 299 HD2 TYR 52 2HD TYR 52 -9.833 -2.264 -8.700 300 HE1 TYR 52 1HE TYR 52 -8.863 0.903 -4.996 301 HE2 TYR 52 2HE TYR 52 -10.425 -2.903 -6.406 302 HH TYR 52 HH TYR 52 -9.813 -0.734 -3.589 303 H SER 53 H SER 53 -7.374 2.279 -10.187 304 HA SER 53 HA SER 53 -5.318 2.765 -8.174 305 HB3 SER 53 2HB SER 53 -4.198 4.472 -9.542 306 HG SER 53 HG SER 53 -3.422 2.986 -11.292 307 H ALA 54 H ALA 54 -6.517 3.961 -6.710 308 HA ALA 54 HA ALA 54 -8.698 5.681 -7.768 309 HB1 ALA 54 1HB ALA 54 -9.724 5.527 -5.607 310 HB2 ALA 54 2HB ALA 54 -9.321 3.853 -6.088 311 HB3 ALA 54 3HB ALA 54 -8.345 4.716 -4.894 312 H GLN 55 H GLN 55 -8.716 7.869 -7.019 313 HA GLN 55 HA GLN 55 -6.137 8.947 -6.349 314 HB3 GLN 55 2HB GLN 55 -8.839 10.234 -6.910 315 HG3 GLN 55 2HG GLN 55 -6.178 11.644 -7.296 316 HE21 GLN 55 1HE2 GLN 55 -7.763 12.195 -9.141 317 HE22 GLN 55 2HE2 GLN 55 -8.897 13.531 -8.880 318 H ILE 56 H ILE 56 -5.685 10.263 -4.357 319 HA ILE 56 HA ILE 56 -7.530 9.326 -2.180 320 HB ILE 56 HB ILE 56 -4.874 10.791 -2.042 321 HG13 ILE 56 2HG1 ILE 56 -3.859 8.747 -1.606 322 HG21 ILE 56 1HG2 ILE 56 -4.867 10.015 0.347 323 HG22 ILE 56 2HG2 ILE 56 -5.958 11.331 -0.014 324 HG23 ILE 56 3HG2 ILE 56 -6.619 9.700 0.186 325 HD11 ILE 56 3HD1 ILE 56 -6.614 7.446 -1.554 326 HD12 ILE 56 1HD1 ILE 56 -5.074 6.588 -1.529 327 HD13 ILE 56 2HD1 ILE 56 -5.534 7.643 -0.155 328 H ARG 57 H ARG 57 -9.314 10.533 -3.213 329 HA ARG 57 HA ARG 57 -9.291 13.438 -2.559 330 HB3 ARG 57 2HB ARG 57 -10.143 13.657 -4.451 331 HG3 ARG 57 2HG ARG 57 -9.968 11.395 -5.354 332 HD3 ARG 57 2HD ARG 57 -11.242 10.006 -3.896 333 HE ARG 57 HE ARG 57 -13.247 12.058 -4.059 334 HH11 ARG 57 1HH1 ARG 57 -13.024 8.507 -3.849 335 HH12 ARG 57 2HH1 ARG 57 -14.421 8.354 -2.823 336 HH21 ARG 57 1HH2 ARG 57 -15.043 11.840 -2.648 337 HH22 ARG 57 2HH2 ARG 57 -15.665 10.271 -2.248 338 H THR 58 H THR 58 -9.121 11.796 -0.442 339 HA THR 58 HA THR 58 -11.741 12.151 0.899 340 HB THR 58 HB THR 58 -11.424 9.733 1.657 341 HG1 THR 58 1HG THR 58 -9.184 9.675 0.990 342 HG21 THR 58 3HG2 THR 58 -12.984 10.386 -0.152 343 HG22 THR 58 1HG2 THR 58 -12.334 8.743 -0.347 344 HG23 THR 58 2HG2 THR 58 -11.712 10.084 -1.362 345 H ALA 59 H ALA 59 -11.378 12.958 2.980 346 HA ALA 59 HA ALA 59 -8.765 13.593 3.846 347 HB1 ALA 59 1HB ALA 59 -11.277 13.260 5.550 348 HB2 ALA 59 2HB ALA 59 -9.839 14.216 5.943 349 HB3 ALA 59 3HB ALA 59 -10.876 14.709 4.596 350 H THR 60 H THR 60 -10.614 10.639 4.110 351 HA THR 60 HA THR 60 -8.342 9.293 5.366 352 HB THR 60 HB THR 60 -9.979 7.980 6.742 353 HG1 THR 60 1HG THR 60 -11.934 8.661 5.899 354 HG21 THR 60 3HG2 THR 60 -9.985 9.510 8.626 355 HG22 THR 60 1HG2 THR 60 -9.688 10.891 7.547 356 HG23 THR 60 2HG2 THR 60 -8.457 9.627 7.738 357 H MET 61 H MET 61 -7.969 7.459 4.340 358 HA MET 61 HA MET 61 -9.956 6.246 2.519 359 HB3 MET 61 2HB MET 61 -7.067 6.352 2.267 360 HG3 MET 61 2HG MET 61 -7.800 4.511 0.969 361 HE1 MET 61 3HE MET 61 -10.360 4.823 1.377 362 HE2 MET 61 1HE MET 61 -11.228 4.199 -0.068 363 HE3 MET 61 2HE MET 61 -9.652 3.504 0.481 364 H SER 62 H SER 62 -9.594 3.796 2.462 365 HA SER 62 HA SER 62 -7.530 2.558 3.844 366 HB3 SER 62 2HB SER 62 -8.725 2.877 5.890 367 HG SER 62 HG SER 62 -10.982 2.071 5.944 368 H CYS 63 H CYS 63 -7.348 0.354 3.027 369 HA CYS 63 HA CYS 63 -9.623 -0.563 1.384 370 HB3 CYS 63 2HB CYS 63 -8.252 -1.072 -0.528 371 HG CYS 63 HG CYS 63 -9.256 1.335 -0.489 372 H CYS 64 H CYS 64 -9.760 -2.859 1.380 373 HA CYS 64 HA CYS 64 -7.431 -4.345 2.357 374 HB3 CYS 64 2HB CYS 64 -8.372 -3.940 4.482 375 HG CYS 64 HG CYS 64 -10.624 -2.899 3.937 376 H THR 65 H THR 65 -8.472 -6.823 2.624 377 HA THR 65 HA THR 65 -9.271 -7.435 -0.179 378 HB THR 65 HB THR 65 -7.306 -9.064 -0.073 379 HG1 THR 65 1HG THR 65 -6.482 -7.357 2.069 380 HG21 THR 65 3HG2 THR 65 -5.775 -7.422 -0.845 381 HG22 THR 65 1HG2 THR 65 -6.480 -6.141 0.156 382 HG23 THR 65 2HG2 THR 65 -7.365 -6.799 -1.247 383 H ASN 66 H ASN 66 -9.316 -10.000 -0.374 384 HA ASN 66 HA ASN 66 -10.856 -11.078 1.940 385 HB3 ASN 66 2HB ASN 66 -11.967 -11.388 -0.297 386 HD21 ASN 66 1HD2 ASN 66 -10.998 -11.297 -2.365 387 HD22 ASN 66 2HD2 ASN 66 -10.144 -12.646 -3.069 388 H GLY 67 H GLY 67 -10.215 -13.460 2.288 389 HA2 GLY 67 1HA GLY 67 -7.388 -13.454 3.000 390 HA3 GLY 67 2HA GLY 67 -8.583 -14.697 3.390 391 H ASN 68 H ASN 68 -7.093 -13.299 0.488 392 HA ASN 68 HA ASN 68 -5.750 -15.761 -0.261 393 HB3 ASN 68 2HB ASN 68 -6.501 -15.434 -2.702 394 HD21 ASN 68 1HD2 ASN 68 -9.603 -15.626 -1.165 395 HD22 ASN 68 2HD2 ASN 68 -9.696 -17.397 -1.172 396 H ALA 69 H ALA 69 -3.948 -14.403 0.381 397 HA ALA 69 HA ALA 69 -3.129 -12.510 -1.679 398 HB1 ALA 69 1HB ALA 69 -3.005 -10.617 -0.092 399 HB2 ALA 69 2HB ALA 69 -4.666 -11.240 0.050 400 HB3 ALA 69 3HB ALA 69 -3.464 -11.658 1.270 401 H PHE 70 H PHE 70 -0.898 -11.960 -1.499 402 HA PHE 70 HA PHE 70 0.511 -12.956 0.942 403 HB3 PHE 70 2HB PHE 70 2.455 -13.533 -0.495 404 HD1 PHE 70 2HD PHE 70 1.615 -15.238 1.277 405 HD2 PHE 70 1HD PHE 70 0.143 -15.034 -2.766 406 HE1 PHE 70 2HE PHE 70 0.867 -17.599 1.438 407 HE2 PHE 70 1HE PHE 70 -0.416 -17.455 -2.656 408 HZ PHE 70 HZ PHE 70 -0.125 -18.727 -0.540 409 H PHE 71 H PHE 71 -0.188 -10.239 -1.008 410 HA PHE 71 HA PHE 71 1.308 -8.605 0.733 411 HB3 PHE 71 2HB PHE 71 3.161 -9.211 -0.937 412 HD1 PHE 71 1HD PHE 71 2.308 -10.505 -2.945 413 HD2 PHE 71 2HD PHE 71 2.124 -6.189 -2.688 414 HE1 PHE 71 1HE PHE 71 2.125 -10.333 -5.421 415 HE2 PHE 71 2HE PHE 71 1.842 -6.065 -5.143 416 HZ PHE 71 HZ PHE 71 1.854 -8.133 -6.521 417 H MET 72 H MET 72 0.971 -6.271 -0.007 418 HA MET 72 HA MET 72 -1.183 -5.772 -1.863 419 HB3 MET 72 2HB MET 72 -1.185 -4.509 0.901 420 HG3 MET 72 2HG MET 72 -3.452 -4.991 -1.066 421 HE1 MET 72 3HE MET 72 -6.167 -2.875 0.803 422 HE2 MET 72 1HE MET 72 -5.036 -2.312 -0.448 423 HE3 MET 72 2HE MET 72 -5.821 -3.901 -0.612 424 H THR 73 H THR 73 -0.773 -3.548 -2.702 425 HA THR 73 HA THR 73 1.526 -2.107 -1.548 426 HB THR 73 HB THR 73 2.477 -3.472 -3.340 427 HG1 THR 73 1HG THR 73 3.646 -1.828 -3.799 428 HG21 THR 73 3HG2 THR 73 0.504 -3.791 -4.804 429 HG22 THR 73 1HG2 THR 73 1.859 -3.093 -5.692 430 HG23 THR 73 2HG2 THR 73 0.510 -2.057 -5.207 431 H CYS 74 H CYS 74 1.560 0.124 -2.187 432 HA CYS 74 HA CYS 74 -0.777 1.200 -3.529 433 HB3 CYS 74 2HB CYS 74 -0.352 2.425 -0.821 434 HG CYS 74 HG CYS 74 -2.464 1.995 -3.259 435 H ALA 75 H ALA 75 1.706 1.149 -4.487 436 HA ALA 75 HA ALA 75 3.190 3.618 -4.140 437 HB1 ALA 75 1HB ALA 75 4.252 2.906 -6.241 438 HB2 ALA 75 2HB ALA 75 4.130 1.530 -5.131 439 HB3 ALA 75 3HB ALA 75 2.996 1.673 -6.486 440 H GLY 76 H GLY 76 2.888 5.674 -5.258 441 HA2 GLY 76 1HA GLY 76 0.772 5.763 -7.336 442 HA3 GLY 76 2HA GLY 76 0.612 6.711 -5.836 443 H SER 77 H SER 77 0.605 8.585 -6.996 444 HA SER 77 HA SER 77 3.168 9.616 -6.478 445 HB3 SER 77 2HB SER 77 3.367 9.431 -8.946 446 HG SER 77 HG SER 77 1.242 9.551 -9.588 447 H VAL 78 H VAL 78 2.859 12.164 -6.380 448 HA VAL 78 HA VAL 78 0.066 12.878 -6.185 449 HB VAL 78 HB VAL 78 0.593 12.488 -3.912 450 HG11 VAL 78 1HG1 VAL 78 2.908 14.451 -4.158 451 HG12 VAL 78 2HG1 VAL 78 2.300 13.711 -2.665 452 HG13 VAL 78 3HG1 VAL 78 3.057 12.697 -3.902 453 HG21 VAL 78 3HG2 VAL 78 0.625 15.485 -4.318 454 HG22 VAL 78 1HG2 VAL 78 -0.814 14.457 -4.527 455 HG23 VAL 78 2HG2 VAL 78 -0.018 14.559 -2.950 456 H SER 79 H SER 79 -0.318 15.098 -6.933 457 HA SER 79 HA SER 79 2.077 16.689 -7.677 458 HB3 SER 79 2HB SER 79 -0.074 15.619 -9.525 459 HG SER 79 HG SER 79 0.992 16.270 -11.208 460 H SER 80 H SER 80 1.456 18.813 -8.442 461 HA SER 80 HA SER 80 -1.258 19.737 -8.319 462 HB3 SER 80 2HB SER 80 0.503 20.260 -5.959 463 HG SER 80 HG SER 80 0.470 22.333 -6.711 464 H ILE 81 H ILE 81 -1.393 21.747 -9.311 465 HA ILE 81 HA ILE 81 1.005 23.062 -10.371 466 HB ILE 81 HB ILE 81 -0.301 23.213 -12.573 467 HG13 ILE 81 2HG1 ILE 81 -2.016 21.875 -13.162 468 HG21 ILE 81 1HG2 ILE 81 1.754 22.014 -12.360 469 HG22 ILE 81 2HG2 ILE 81 0.917 20.574 -11.750 470 HG23 ILE 81 3HG2 ILE 81 0.668 21.104 -13.409 471 HD11 ILE 81 3HD1 ILE 81 -1.601 19.924 -10.881 472 HD12 ILE 81 1HD1 ILE 81 -2.889 19.891 -12.094 473 HD13 ILE 81 2HD1 ILE 81 -1.209 19.647 -12.591 474 H SER 82 H SER 82 -0.896 23.599 -8.125 475 HA SER 82 HA SER 82 -2.220 26.056 -9.155 476 HB3 SER 82 2HB SER 82 -2.360 25.097 -6.295 477 HG SER 82 HG SER 82 -4.417 26.318 -6.597 478 H GLU 83 H GLU 83 -1.987 27.731 -7.479 479 HA GLU 83 HA GLU 83 0.679 28.812 -7.760 480 HB3 GLU 83 2HB GLU 83 -0.220 30.800 -6.641 481 HG3 GLU 83 2HG GLU 83 -2.258 31.256 -7.931 482 H ALA 84 H ALA 84 1.841 29.807 -5.948 483 HA ALA 84 HA ALA 84 2.667 27.914 -4.078 484 HB1 ALA 84 1HB ALA 84 3.925 29.822 -3.039 485 HB2 ALA 84 2HB ALA 84 4.008 29.886 -4.817 486 HB3 ALA 84 3HB ALA 84 2.909 30.964 -3.938 487 H GLY 85 H GLY 85 2.704 28.019 -1.724 488 HA2 GLY 85 1HA GLY 85 1.886 28.519 0.396 489 HA3 GLY 85 2HA GLY 85 0.681 29.599 -0.313 490 H LYS 86 H LYS 86 0.683 26.397 -1.713 491 HA LYS 86 HA LYS 86 -1.717 25.624 -0.152 492 HB3 LYS 86 2HB LYS 86 -2.445 24.507 -2.138 493 HG3 LYS 86 2HG LYS 86 -2.345 26.314 -3.965 494 HD3 LYS 86 2HD LYS 86 -3.392 26.643 -1.227 495 HE3 LYS 86 2HE LYS 86 -2.278 28.766 -1.175 496 HZ1 LYS 86 3HZ LYS 86 -1.809 29.112 -3.483 497 HZ2 LYS 86 1HZ LYS 86 -2.714 30.377 -2.942 498 HZ3 LYS 86 2HZ LYS 86 -3.432 29.252 -3.859 499 H ARG 87 H ARG 87 -1.711 23.498 0.743 500 HA ARG 87 HA ARG 87 1.005 22.242 0.768 501 HB3 ARG 87 2HB ARG 87 1.009 22.096 3.063 502 HG3 ARG 87 2HG ARG 87 -0.232 24.840 2.749 503 HD3 ARG 87 2HD ARG 87 1.420 25.431 4.473 504 HE ARG 87 HE ARG 87 -0.803 24.289 5.146 505 HH11 ARG 87 1HH1 ARG 87 2.294 22.813 6.062 506 HH12 ARG 87 2HH1 ARG 87 1.712 22.209 7.541 507 HH21 ARG 87 1HH2 ARG 87 -1.572 23.394 7.139 508 HH22 ARG 87 2HH2 ARG 87 -0.436 22.786 8.303 509 H LEU 88 H LEU 88 1.028 19.974 1.606 510 HA LEU 88 HA LEU 88 -1.443 18.480 1.305 511 HB3 LEU 88 2HB LEU 88 0.849 17.917 -0.637 512 HG LEU 88 HG LEU 88 -0.983 17.146 -2.146 513 HD11 LEU 88 1HD1 LEU 88 0.241 15.437 -0.836 514 HD12 LEU 88 2HD1 LEU 88 -1.438 14.983 -1.198 515 HD13 LEU 88 3HD1 LEU 88 -0.995 15.577 0.438 516 HD21 LEU 88 3HD2 LEU 88 -3.185 16.772 -1.411 517 HD22 LEU 88 1HD2 LEU 88 -2.812 18.388 -0.854 518 HD23 LEU 88 2HD2 LEU 88 -2.770 16.980 0.283 519 H HIS 89 H HIS 89 -1.104 17.434 3.278 520 HA HIS 89 HA HIS 89 1.549 16.162 3.743 521 HB3 HIS 89 2HB HIS 89 -0.846 16.541 5.538 522 HD1 HIS 89 1HD HIS 89 2.470 17.116 7.163 523 HD2 HIS 89 2HD HIS 89 -0.193 13.866 6.471 524 HE1 HIS 89 1HE HIS 89 2.954 15.369 8.927 525 H ILE 90 H ILE 90 1.525 13.891 3.951 526 HA ILE 90 HA ILE 90 -0.990 12.472 3.294 527 HB ILE 90 HB ILE 90 1.819 12.143 2.146 528 HG13 ILE 90 2HG1 ILE 90 0.869 12.222 0.001 529 HG21 ILE 90 1HG2 ILE 90 1.079 10.001 1.053 530 HG22 ILE 90 2HG2 ILE 90 1.359 9.905 2.793 531 HG23 ILE 90 3HG2 ILE 90 -0.303 9.979 2.177 532 HD11 ILE 90 3HD1 ILE 90 -1.929 12.286 1.201 533 HD12 ILE 90 1HD1 ILE 90 -1.485 12.487 -0.510 534 HD13 ILE 90 2HD1 ILE 90 -1.236 10.933 0.275 535 H THR 91 H THR 91 -1.303 10.723 4.614 536 HA THR 91 HA THR 91 0.969 9.710 6.245 537 HB THR 91 HB THR 91 -1.974 9.754 7.038 538 HG1 THR 91 1HG THR 91 -1.347 11.766 7.343 539 HG21 THR 91 3HG2 THR 91 -0.548 7.873 7.961 540 HG22 THR 91 1HG2 THR 91 -1.194 8.966 9.181 541 HG23 THR 91 2HG2 THR 91 0.502 9.124 8.682 542 H VAL 92 H VAL 92 1.318 7.479 5.841 543 HA VAL 92 HA VAL 92 -0.770 5.935 4.430 544 HB VAL 92 HB VAL 92 1.312 4.996 3.162 545 HG11 VAL 92 1HG1 VAL 92 0.076 7.599 2.256 546 HG12 VAL 92 2HG1 VAL 92 0.904 6.389 1.236 547 HG13 VAL 92 3HG1 VAL 92 -0.595 5.965 2.057 548 HG21 VAL 92 3HG2 VAL 92 3.027 6.600 2.466 549 HG22 VAL 92 1HG2 VAL 92 2.285 7.884 3.422 550 HG23 VAL 92 2HG2 VAL 92 3.004 6.490 4.234 551 H ILE 93 H ILE 93 -1.120 4.108 5.641 552 HA ILE 93 HA ILE 93 1.147 2.999 7.200 553 HB ILE 93 HB ILE 93 -1.647 3.396 8.326 554 HG13 ILE 93 2HG1 ILE 93 -0.522 5.594 8.067 555 HG21 ILE 93 1HG2 ILE 93 0.964 2.448 9.626 556 HG22 ILE 93 2HG2 ILE 93 -0.578 2.675 10.461 557 HG23 ILE 93 3HG2 ILE 93 -0.426 1.437 9.234 558 HD11 ILE 93 3HD1 ILE 93 -0.530 4.851 10.984 559 HD12 ILE 93 1HD1 ILE 93 -0.789 6.443 10.232 560 HD13 ILE 93 2HD1 ILE 93 -1.999 5.163 10.019 561 H GLY 94 H GLY 94 1.181 0.843 7.212 562 HA2 GLY 94 1HA GLY 94 -0.874 -0.618 5.580 563 HA3 GLY 94 2HA GLY 94 0.864 -0.887 5.446 564 H TYR 95 H TYR 95 -1.700 -2.446 6.474 565 HA TYR 95 HA TYR 95 -0.655 -3.322 9.098 566 HB3 TYR 95 2HB TYR 95 -3.088 -3.649 9.653 567 HD1 TYR 95 1HD TYR 95 -3.373 -0.514 7.806 568 HD2 TYR 95 2HD TYR 95 -2.429 -2.331 11.588 569 HE1 TYR 95 1HE TYR 95 -3.376 1.739 8.911 570 HE2 TYR 95 2HE TYR 95 -2.508 -0.121 12.702 571 HH TYR 95 HH TYR 95 -3.320 2.124 12.390 572 H ILE 96 H ILE 96 -1.085 -5.470 9.661 573 HA ILE 96 HA ILE 96 -2.012 -7.344 7.556 574 HB ILE 96 HB ILE 96 0.588 -7.526 9.151 575 HG13 ILE 96 2HG1 ILE 96 0.878 -6.076 7.251 576 HG21 ILE 96 1HG2 ILE 96 0.967 -9.700 8.270 577 HG22 ILE 96 2HG2 ILE 96 -0.673 -9.743 8.866 578 HG23 ILE 96 3HG2 ILE 96 -0.373 -9.567 7.125 579 HD11 ILE 96 3HD1 ILE 96 1.838 -8.703 6.103 580 HD12 ILE 96 1HD1 ILE 96 2.582 -7.106 6.082 581 HD13 ILE 96 2HD1 ILE 96 2.561 -8.019 7.587 582 H ASP 97 H ASP 97 -3.739 -8.184 8.497 583 HA ASP 97 HA ASP 97 -5.004 -9.393 9.702 584 HB3 ASP 97 2HB ASP 97 -4.063 -10.993 11.261 585 H ASP 98 H ASP 98 -2.934 -7.708 12.054 586 HA ASP 98 HA ASP 98 -5.159 -6.247 13.233 587 HB3 ASP 98 2HB ASP 98 -3.805 -8.376 14.917 588 H LYS 99 H LYS 99 -1.974 -6.210 12.293 589 HA LYS 99 HA LYS 99 -1.296 -4.112 14.273 590 HB3 LYS 99 2HB LYS 99 1.138 -5.397 13.603 591 HG3 LYS 99 2HG LYS 99 -0.033 -6.237 16.201 592 HD3 LYS 99 2HD LYS 99 2.475 -6.140 15.730 593 HE3 LYS 99 2HE LYS 99 1.763 -3.178 15.720 594 HZ1 LYS 99 3HZ LYS 99 4.001 -2.688 15.496 595 HZ2 LYS 99 1HZ LYS 99 4.518 -4.233 15.634 596 HZ3 LYS 99 2HZ LYS 99 3.842 -3.477 16.935 597 H GLU 100 H GLU 100 0.333 -2.552 13.477 598 HA GLU 100 HA GLU 100 0.258 -2.247 10.581 599 HB3 GLU 100 2HB GLU 100 0.321 -0.329 12.363 600 HG3 GLU 100 2HG GLU 100 2.555 0.610 12.573 601 H VAL 101 H VAL 101 2.252 -2.394 9.327 602 HA VAL 101 HA VAL 101 4.625 -3.443 10.786 603 HB VAL 101 HB VAL 101 5.137 -5.035 9.067 604 HG11 VAL 101 1HG1 VAL 101 3.788 -5.843 10.968 605 HG12 VAL 101 2HG1 VAL 101 2.307 -5.605 10.013 606 HG13 VAL 101 3HG1 VAL 101 3.536 -6.775 9.488 607 HG21 VAL 101 3HG2 VAL 101 4.028 -3.926 7.124 608 HG22 VAL 101 1HG2 VAL 101 3.628 -5.621 7.261 609 HG23 VAL 101 2HG2 VAL 101 2.438 -4.396 7.778 610 H ASN 102 H ASN 102 3.382 -0.997 8.833 611 HA ASN 102 HA ASN 102 5.982 -0.216 7.743 612 HB3 ASN 102 2HB ASN 102 3.641 -0.835 5.886 613 HD21 ASN 102 1HD2 ASN 102 5.206 -1.671 3.702 614 HD22 ASN 102 2HD2 ASN 102 6.306 -0.446 3.224 615 H ARG 103 H ARG 103 5.939 2.087 7.529 616 HA ARG 103 HA ARG 103 3.582 3.423 6.728 617 HB3 ARG 103 2HB ARG 103 2.872 3.289 9.103 618 HG3 ARG 103 2HG ARG 103 4.099 4.730 10.780 619 HD3 ARG 103 2HD ARG 103 5.988 2.470 10.241 620 HE ARG 103 HE ARG 103 6.052 2.552 12.484 621 HH11 ARG 103 1HH1 ARG 103 2.707 3.401 11.546 622 HH12 ARG 103 2HH1 ARG 103 2.083 3.147 13.158 623 HH21 ARG 103 1HH2 ARG 103 5.144 2.334 14.608 624 HH22 ARG 103 2HH2 ARG 103 3.403 2.526 14.837 625 H LEU 104 H LEU 104 3.837 5.605 6.314 626 HA LEU 104 HA LEU 104 6.120 6.899 7.397 627 HB3 LEU 104 2HB LEU 104 7.117 6.082 5.357 628 HG LEU 104 HG LEU 104 5.070 6.248 3.838 629 HD11 LEU 104 1HD1 LEU 104 6.183 9.073 3.483 630 HD12 LEU 104 2HD1 LEU 104 4.550 8.669 4.046 631 HD13 LEU 104 3HD1 LEU 104 5.015 8.290 2.394 632 HD21 LEU 104 3HD2 LEU 104 7.801 7.202 2.873 633 HD22 LEU 104 1HD2 LEU 104 6.522 6.501 1.850 634 HD23 LEU 104 2HD2 LEU 104 7.285 5.521 3.090 635 H GLU 105 H GLU 105 5.958 9.277 6.840 636 HA GLU 105 HA GLU 105 3.284 10.192 6.028 637 HB3 GLU 105 2HB GLU 105 3.811 12.232 7.576 638 HG3 GLU 105 2HG GLU 105 2.841 9.566 8.513 639 H LYS 106 H LYS 106 3.520 12.375 4.993 640 HA LYS 106 HA LYS 106 6.209 13.260 4.463 641 HB3 LYS 106 2HB LYS 106 4.674 12.721 1.944 642 HG3 LYS 106 2HG LYS 106 7.403 13.371 2.673 643 HD3 LYS 106 2HD LYS 106 7.683 10.852 2.749 644 HE3 LYS 106 2HE LYS 106 6.070 10.847 0.529 645 HZ1 LYS 106 3HZ LYS 106 7.416 10.349 -1.387 646 HZ2 LYS 106 1HZ LYS 106 8.777 10.292 -0.545 647 HZ3 LYS 106 2HZ LYS 106 8.051 11.729 -0.836 648 H GLU 107 H GLU 107 5.998 15.251 2.835 649 HA GLU 107 HA GLU 107 3.436 16.552 2.963 650 HB3 GLU 107 2HB GLU 107 5.672 17.872 4.536 651 HG3 GLU 107 2HG GLU 107 2.684 18.273 4.230 652 H TYR 108 H TYR 108 3.341 18.389 1.652 653 HA TYR 108 HA TYR 108 5.729 19.087 0.084 654 HB3 TYR 108 2HB TYR 108 4.602 18.437 -1.931 655 HD1 TYR 108 1HD TYR 108 6.339 16.659 -1.433 656 HD2 TYR 108 2HD TYR 108 2.234 16.316 -0.283 657 HE1 TYR 108 1HE TYR 108 6.577 14.164 -1.268 658 HE2 TYR 108 2HE TYR 108 2.434 13.883 -0.079 659 HH TYR 108 HH TYR 108 3.763 12.079 -0.496 660 H ILE 109 H ILE 109 5.618 21.257 -0.666 661 HA ILE 109 HA ILE 109 3.052 22.705 -0.319 662 HB ILE 109 HB ILE 109 5.725 23.738 0.673 663 HG13 ILE 109 2HG1 ILE 109 4.806 22.010 2.176 664 HG21 ILE 109 1HG2 ILE 109 4.367 25.672 1.507 665 HG22 ILE 109 2HG2 ILE 109 4.424 25.554 -0.227 666 HG23 ILE 109 3HG2 ILE 109 2.964 25.020 0.627 667 HD11 ILE 109 3HD1 ILE 109 4.712 23.150 4.245 668 HD12 ILE 109 1HD1 ILE 109 5.901 23.992 3.234 669 HD13 ILE 109 2HD1 ILE 109 4.279 24.688 3.492 670 H THR 110 H THR 110 2.599 24.228 -1.930 671 HA THR 110 HA THR 110 4.205 24.127 -4.360 672 HB THR 110 HB THR 110 2.475 25.842 -5.048 673 HG1 THR 110 1HG THR 110 0.799 26.239 -3.919 674 HG21 THR 110 3HG2 THR 110 1.327 23.190 -4.108 675 HG22 THR 110 1HG2 THR 110 2.219 23.483 -5.624 676 HG23 THR 110 2HG2 THR 110 0.664 24.284 -5.356 677 H ASP 111 H ASP 111 5.699 25.668 -4.951 678 HA ASP 111 HA ASP 111 5.455 28.327 -3.815 679 HB3 ASP 111 2HB ASP 111 8.226 27.243 -3.456 680 H GLY 112 H GLY 112 4.711 27.782 -6.197 681 HA2 GLY 112 1HA GLY 112 4.867 28.675 -8.282 682 HA3 GLY 112 2HA GLY 112 6.536 29.170 -7.983 683 H ASN 113 H ASN 113 7.505 26.640 -7.127 684 HA ASN 113 HA ASN 113 8.107 25.260 -9.574 685 HB3 ASN 113 2HB ASN 113 8.979 23.502 -8.005 686 HD21 ASN 113 1HD2 ASN 113 9.450 26.790 -6.470 687 HD22 ASN 113 2HD2 ASN 113 11.070 26.926 -7.125 688 H THR 114 H THR 114 7.443 23.182 -10.170 689 HA THR 114 HA THR 114 4.611 22.617 -9.857 690 HB THR 114 HB THR 114 6.779 20.952 -11.214 691 HG1 THR 114 1HG THR 114 6.624 22.297 -12.918 692 HG21 THR 114 3HG2 THR 114 3.839 21.404 -11.860 693 HG22 THR 114 1HG2 THR 114 4.504 19.962 -11.074 694 HG23 THR 114 2HG2 THR 114 4.953 20.340 -12.748 695 H LEU 115 H LEU 115 3.744 21.584 -8.192 696 HA LEU 115 HA LEU 115 5.293 20.012 -6.305 697 HB3 LEU 115 2HB LEU 115 2.327 20.098 -6.772 698 HG LEU 115 HG LEU 115 1.935 19.870 -4.459 699 HD11 LEU 115 1HD1 LEU 115 4.163 17.849 -4.896 700 HD12 LEU 115 2HD1 LEU 115 2.509 17.689 -5.544 701 HD13 LEU 115 3HD1 LEU 115 2.777 17.742 -3.802 702 HD21 LEU 115 3HD2 LEU 115 4.869 19.904 -3.779 703 HD22 LEU 115 1HD2 LEU 115 3.418 20.103 -2.749 704 HD23 LEU 115 2HD2 LEU 115 3.863 21.379 -3.866 705 H ILE 116 H ILE 116 5.975 18.036 -6.745 706 HA ILE 116 HA ILE 116 4.218 16.082 -7.832 707 HB ILE 116 HB ILE 116 6.905 16.494 -9.215 708 HG13 ILE 116 2HG1 ILE 116 5.338 18.110 -9.978 709 HG21 ILE 116 1HG2 ILE 116 4.690 14.407 -9.651 710 HG22 ILE 116 2HG2 ILE 116 6.189 14.531 -10.595 711 HG23 ILE 116 3HG2 ILE 116 6.276 14.084 -8.912 712 HD11 ILE 116 3HD1 ILE 116 6.687 17.066 -11.782 713 HD12 ILE 116 1HD1 ILE 116 5.301 15.973 -12.088 714 HD13 ILE 116 2HD1 ILE 116 5.126 17.711 -12.325 715 H GLU 117 H GLU 117 4.758 14.276 -6.811 716 HA GLU 117 HA GLU 117 7.380 13.635 -5.855 717 HB3 GLU 117 2HB GLU 117 5.890 13.468 -3.418 718 HG3 GLU 117 2HG GLU 117 7.748 15.200 -2.779 719 H THR 118 H THR 118 7.304 11.459 -4.660 720 HA THR 118 HA THR 118 4.908 9.810 -5.367 721 HB THR 118 HB THR 118 6.712 8.134 -6.090 722 HG1 THR 118 1HG THR 118 8.640 8.862 -6.575 723 HG21 THR 118 3HG2 THR 118 5.088 8.994 -7.634 724 HG22 THR 118 1HG2 THR 118 6.652 8.875 -8.424 725 HG23 THR 118 2HG2 THR 118 6.044 10.467 -7.910 726 H PHE 119 H PHE 119 4.711 7.963 -4.171 727 HA PHE 119 HA PHE 119 6.562 7.383 -1.972 728 HB3 PHE 119 2HB PHE 119 5.222 9.049 -0.855 729 HD1 PHE 119 1HD PHE 119 2.647 6.339 -0.997 730 HD2 PHE 119 2HD PHE 119 3.626 10.402 -2.079 731 HE1 PHE 119 1HE PHE 119 0.347 6.685 -1.774 732 HE2 PHE 119 2HE PHE 119 1.319 10.704 -2.946 733 HZ PHE 119 HZ PHE 119 -0.339 8.872 -2.746 734 H SER 120 H SER 120 5.954 5.246 -0.923 735 HA SER 120 HA SER 120 3.964 3.606 -2.256 736 HB3 SER 120 2HB SER 120 6.993 3.364 -2.679 737 HG SER 120 HG SER 120 6.784 1.390 -3.141 738 H VAL 121 H VAL 121 3.591 1.769 -1.105 739 HA VAL 121 HA VAL 121 4.937 1.254 1.444 740 HB VAL 121 HB VAL 121 2.105 2.333 1.045 741 HG11 VAL 121 1HG1 VAL 121 1.884 0.384 2.548 742 HG12 VAL 121 2HG1 VAL 121 3.101 1.111 3.641 743 HG13 VAL 121 3HG1 VAL 121 1.551 1.938 3.331 744 HG21 VAL 121 3HG2 VAL 121 3.512 4.153 1.480 745 HG22 VAL 121 1HG2 VAL 121 3.023 3.715 3.136 746 HG23 VAL 121 2HG2 VAL 121 4.579 3.197 2.525 747 H SER 122 H SER 122 5.227 -0.945 1.293 748 HA SER 122 HA SER 122 3.093 -2.575 0.055 749 HB3 SER 122 2HB SER 122 4.507 -3.385 -1.433 750 HG SER 122 HG SER 122 6.711 -2.058 -0.219 751 H THR 123 H THR 123 2.353 -4.199 1.349 752 HA THR 123 HA THR 123 3.611 -4.421 4.007 753 HB THR 123 HB THR 123 1.433 -5.699 4.444 754 HG1 THR 123 1HG THR 123 0.921 -6.230 2.334 755 HG21 THR 123 3HG2 THR 123 0.159 -3.720 4.674 756 HG22 THR 123 1HG2 THR 123 1.040 -2.884 3.373 757 HG23 THR 123 2HG2 THR 123 1.837 -3.245 4.932 758 H LYS 124 H LYS 124 4.623 -5.881 1.335 759 HA LYS 124 HA LYS 124 5.649 -7.888 3.030 760 HB3 LYS 124 2HB LYS 124 4.917 -9.314 0.575 761 HG3 LYS 124 2HG LYS 124 5.802 -10.088 3.006 762 HD3 LYS 124 2HD LYS 124 3.133 -11.324 3.195 763 HE3 LYS 124 2HE LYS 124 4.589 -9.766 5.353 764 HZ1 LYS 124 3HZ LYS 124 2.393 -10.655 5.896 765 HZ2 LYS 124 1HZ LYS 124 3.572 -11.353 6.794 766 HZ3 LYS 124 2HZ LYS 124 2.914 -12.191 5.567 767 H GLU 125 H GLU 125 7.693 -7.650 2.648 768 HA GLU 125 HA GLU 125 8.740 -6.803 -0.009 769 HB3 GLU 125 2HB GLU 125 10.119 -5.095 1.146 770 HG3 GLU 125 2HG GLU 125 7.138 -4.685 1.653 771 H ILE 126 H ILE 126 9.112 -9.116 0.019 772 HA ILE 126 HA ILE 126 10.010 -11.069 0.467 773 HB ILE 126 HB ILE 126 12.521 -9.589 1.246 774 HG13 ILE 126 2HG1 ILE 126 13.099 -9.514 -1.144 775 HG21 ILE 126 1HG2 ILE 126 12.807 -11.962 1.502 776 HG22 ILE 126 2HG2 ILE 126 12.029 -12.304 -0.049 777 HG23 ILE 126 3HG2 ILE 126 13.623 -11.504 0.009 778 HD11 ILE 126 3HD1 ILE 126 11.698 -11.280 -2.133 779 HD12 ILE 126 1HD1 ILE 126 10.239 -10.327 -1.764 780 HD13 ILE 126 2HD1 ILE 126 11.436 -9.715 -2.918 Start of MODEL 20 1 H1 GLY 1 H GLY 1 11.388 -21.106 7.883 2 HA2 GLY 1 1HA GLY 1 13.825 -21.752 9.441 3 HA3 GLY 1 2HA GLY 1 13.894 -20.901 7.899 4 H ALA 2 H ALA 2 14.996 -19.376 9.394 5 HA ALA 2 HA ALA 2 13.347 -17.392 10.792 6 HB1 ALA 2 1HB ALA 2 15.413 -16.049 10.704 7 HB2 ALA 2 2HB ALA 2 15.741 -17.660 11.357 8 HB3 ALA 2 3HB ALA 2 16.196 -17.273 9.688 9 H SER 3 H SER 3 11.798 -16.491 9.497 10 HA SER 3 HA SER 3 12.684 -14.494 7.806 11 HB3 SER 3 2HB SER 3 12.633 -16.040 5.947 12 HG SER 3 HG SER 3 10.542 -17.005 5.408 13 H ASP 4 H ASP 4 10.880 -13.005 7.447 14 HA ASP 4 HA ASP 4 8.657 -13.236 9.369 15 HB3 ASP 4 2HB ASP 4 9.795 -11.052 9.083 16 H PHE 5 H PHE 5 6.790 -14.285 8.716 17 HA PHE 5 HA PHE 5 5.776 -13.738 6.105 18 HB3 PHE 5 2HB PHE 5 6.860 -15.632 5.618 19 HD1 PHE 5 2HD PHE 5 8.280 -16.404 7.313 20 HD2 PHE 5 1HD PHE 5 4.205 -17.539 7.155 21 HE1 PHE 5 2HE PHE 5 8.840 -18.446 8.725 22 HE2 PHE 5 1HE PHE 5 4.670 -19.597 8.550 23 HZ PHE 5 HZ PHE 5 6.999 -20.033 9.336 24 H GLN 6 H GLN 6 4.102 -12.613 6.683 25 HA GLN 6 HA GLN 6 2.098 -13.604 8.601 26 HB3 GLN 6 2HB GLN 6 1.603 -10.995 8.567 27 HG3 GLN 6 2HG GLN 6 3.247 -10.704 10.462 28 HE21 GLN 6 1HE2 GLN 6 3.116 -12.821 12.408 29 HE22 GLN 6 2HE2 GLN 6 1.437 -13.152 12.729 30 H THR 7 H THR 7 0.402 -14.174 7.475 31 HA THR 7 HA THR 7 -0.295 -12.760 4.940 32 HB THR 7 HB THR 7 -1.116 -15.265 4.316 33 HG1 THR 7 1HG THR 7 0.184 -15.999 6.330 34 HG21 THR 7 3HG2 THR 7 1.700 -14.191 3.922 35 HG22 THR 7 1HG2 THR 7 0.263 -13.843 2.925 36 HG23 THR 7 2HG2 THR 7 0.920 -15.499 2.999 37 H GLY 8 H GLY 8 -2.418 -12.778 4.263 38 HA2 GLY 8 1HA GLY 8 -4.596 -13.959 4.802 39 HA3 GLY 8 2HA GLY 8 -4.423 -13.232 6.400 40 H ILE 9 H ILE 9 -5.038 -11.210 6.677 41 HA ILE 9 HA ILE 9 -6.454 -9.961 4.398 42 HB ILE 9 HB ILE 9 -6.878 -9.974 7.415 43 HG13 ILE 9 2HG1 ILE 9 -7.381 -12.098 6.092 44 HG21 ILE 9 1HG2 ILE 9 -8.558 -8.652 5.255 45 HG22 ILE 9 2HG2 ILE 9 -9.047 -8.840 6.956 46 HG23 ILE 9 3HG2 ILE 9 -7.667 -7.840 6.571 47 HD11 ILE 9 3HD1 ILE 9 -8.668 -11.545 8.175 48 HD12 ILE 9 1HD1 ILE 9 -9.942 -10.866 7.129 49 HD13 ILE 9 2HD1 ILE 9 -9.507 -12.575 6.997 50 H HIS 10 H HIS 10 -4.947 -8.629 3.462 51 HA HIS 10 HA HIS 10 -3.004 -7.103 5.148 52 HB3 HIS 10 2HB HIS 10 -1.935 -6.583 2.964 53 HD1 HIS 10 1HD HIS 10 0.332 -7.967 3.603 54 HD2 HIS 10 2HD HIS 10 -3.099 -10.270 2.757 55 HE1 HIS 10 1HE HIS 10 1.132 -10.287 3.260 56 H LYS 11 H LYS 11 -3.380 -4.827 5.406 57 HA LYS 11 HA LYS 11 -5.635 -3.702 3.862 58 HB3 LYS 11 2HB LYS 11 -7.049 -4.083 5.465 59 HG3 LYS 11 2HG LYS 11 -5.343 -3.932 7.940 60 HD3 LYS 11 2HD LYS 11 -7.869 -5.396 7.091 61 HE3 LYS 11 2HE LYS 11 -6.239 -6.693 8.728 62 HZ1 LYS 11 3HZ LYS 11 -7.740 -4.919 10.592 63 HZ2 LYS 11 1HZ LYS 11 -6.101 -4.970 10.451 64 HZ3 LYS 11 2HZ LYS 11 -6.924 -6.245 11.026 65 H ILE 12 H ILE 12 -5.799 -1.456 3.856 66 HA ILE 12 HA ILE 12 -3.305 0.027 4.559 67 HB ILE 12 HB ILE 12 -4.576 -0.385 1.845 68 HG13 ILE 12 2HG1 ILE 12 -2.466 -0.999 1.064 69 HG21 ILE 12 1HG2 ILE 12 -2.926 2.058 2.583 70 HG22 ILE 12 2HG2 ILE 12 -3.223 1.494 0.924 71 HG23 ILE 12 3HG2 ILE 12 -4.577 2.001 1.929 72 HD11 ILE 12 3HD1 ILE 12 -1.187 0.212 3.541 73 HD12 ILE 12 1HD1 ILE 12 -0.350 -0.771 2.318 74 HD13 ILE 12 2HD1 ILE 12 -1.023 0.790 1.871 75 H VAL 13 H VAL 13 -3.655 2.219 5.004 76 HA VAL 13 HA VAL 13 -6.365 3.327 4.710 77 HB VAL 13 HB VAL 13 -4.781 3.544 7.311 78 HG11 VAL 13 1HG1 VAL 13 -6.491 5.322 6.800 79 HG12 VAL 13 2HG1 VAL 13 -7.736 4.055 6.731 80 HG13 VAL 13 3HG1 VAL 13 -6.866 4.377 8.246 81 HG21 VAL 13 3HG2 VAL 13 -7.084 1.618 6.810 82 HG22 VAL 13 1HG2 VAL 13 -5.403 1.169 7.164 83 HG23 VAL 13 2HG2 VAL 13 -6.361 2.000 8.382 84 H ILE 14 H ILE 14 -6.183 5.487 4.091 85 HA ILE 14 HA ILE 14 -3.499 6.861 4.286 86 HB ILE 14 HB ILE 14 -5.316 6.604 1.863 87 HG13 ILE 14 2HG1 ILE 14 -3.127 4.982 2.596 88 HG21 ILE 14 1HG2 ILE 14 -3.665 8.033 0.635 89 HG22 ILE 14 2HG2 ILE 14 -4.617 8.900 1.830 90 HG23 ILE 14 3HG2 ILE 14 -2.933 8.458 2.199 91 HD11 ILE 14 3HD1 ILE 14 -3.187 4.134 0.360 92 HD12 ILE 14 1HD1 ILE 14 -4.854 4.468 0.876 93 HD13 ILE 14 2HD1 ILE 14 -4.015 5.584 -0.241 94 H GLN 15 H GLN 15 -3.612 9.139 4.498 95 HA GLN 15 HA GLN 15 -6.348 10.302 4.563 96 HB3 GLN 15 2HB GLN 15 -5.861 11.496 6.596 97 HG3 GLN 15 2HG GLN 15 -5.034 8.639 7.131 98 HE21 GLN 15 1HE2 GLN 15 -5.642 8.163 9.503 99 HE22 GLN 15 2HE2 GLN 15 -5.012 9.253 10.718 100 H GLN 16 H GLN 16 -6.291 12.724 4.604 101 HA GLN 16 HA GLN 16 -3.790 13.952 3.692 102 HB3 GLN 16 2HB GLN 16 -4.639 13.592 1.580 103 HG3 GLN 16 2HG GLN 16 -7.440 14.385 2.468 104 HE21 GLN 16 1HE2 GLN 16 -9.016 14.372 0.687 105 HE22 GLN 16 2HE2 GLN 16 -8.465 14.239 -0.986 106 H SER 17 H SER 17 -3.600 16.075 4.363 107 HA SER 17 HA SER 17 -5.760 17.612 5.392 108 HB3 SER 17 2HB SER 17 -4.592 18.106 7.579 109 HG SER 17 HG SER 17 -5.042 15.317 7.541 110 H GLY 18 H GLY 18 -5.074 19.896 5.469 111 HA2 GLY 18 1HA GLY 18 -3.199 21.513 5.125 112 HA3 GLY 18 2HA GLY 18 -2.599 20.398 3.879 113 H ASP 19 H ASP 19 -2.957 21.612 2.029 114 HA ASP 19 HA ASP 19 -5.525 23.020 1.590 115 HB3 ASP 19 2HB ASP 19 -4.317 23.720 -0.569 116 H THR 20 H THR 20 -6.663 20.935 1.649 117 HA THR 20 HA THR 20 -6.386 19.260 -0.765 118 HB THR 20 HB THR 20 -8.670 18.409 0.084 119 HG1 THR 20 1HG THR 20 -9.141 20.164 1.374 120 HG21 THR 20 3HG2 THR 20 -6.764 17.921 2.335 121 HG22 THR 20 1HG2 THR 20 -6.372 17.314 0.697 122 HG23 THR 20 2HG2 THR 20 -7.861 16.822 1.512 123 H ASP 21 H ASP 21 -6.312 21.405 -1.846 124 HA ASP 21 HA ASP 21 -9.049 21.991 -2.872 125 HB3 ASP 21 2HB ASP 21 -7.954 23.840 -1.297 126 H SER 22 H SER 22 -5.570 22.404 -3.523 127 HA SER 22 HA SER 22 -6.005 21.774 -6.393 128 HB3 SER 22 2HB SER 22 -4.189 23.909 -5.300 129 HG SER 22 HG SER 22 -4.668 24.860 -7.238 130 H PHE 23 H PHE 23 -5.347 19.811 -5.252 131 HA PHE 23 HA PHE 23 -2.569 19.170 -6.090 132 HB3 PHE 23 2HB PHE 23 -2.793 19.453 -3.543 133 HD1 PHE 23 2HD PHE 23 -5.715 19.415 -3.490 134 HD2 PHE 23 1HD PHE 23 -2.976 16.166 -2.852 135 HE1 PHE 23 2HE PHE 23 -7.545 18.076 -2.580 136 HE2 PHE 23 1HE PHE 23 -4.782 14.879 -1.768 137 HZ PHE 23 HZ PHE 23 -7.100 15.803 -1.691 138 H GLU 24 H GLU 24 -2.430 16.660 -6.637 139 HA GLU 24 HA GLU 24 -4.961 15.240 -6.641 140 HB3 GLU 24 2HB GLU 24 -4.674 15.811 -8.917 141 HG3 GLU 24 2HG GLU 24 -1.744 15.078 -8.715 142 H VAL 25 H VAL 25 -4.583 12.993 -6.179 143 HA VAL 25 HA VAL 25 -1.806 12.138 -5.694 144 HB VAL 25 HB VAL 25 -3.948 11.810 -3.545 145 HG11 VAL 25 1HG1 VAL 25 -2.086 11.078 -2.174 146 HG12 VAL 25 2HG1 VAL 25 -2.029 10.175 -3.697 147 HG13 VAL 25 3HG1 VAL 25 -0.921 11.534 -3.450 148 HG21 VAL 25 3HG2 VAL 25 -1.743 13.888 -3.520 149 HG22 VAL 25 1HG2 VAL 25 -3.485 14.190 -3.681 150 HG23 VAL 25 2HG2 VAL 25 -2.862 13.474 -2.197 151 H SER 26 H SER 26 -2.115 10.675 -7.506 152 HA SER 26 HA SER 26 -4.385 8.762 -7.299 153 HB3 SER 26 2HB SER 26 -2.306 8.993 -9.488 154 HG SER 26 HG SER 26 -3.584 7.561 -10.498 155 H VAL 27 H VAL 27 -4.121 6.768 -6.774 156 HA VAL 27 HA VAL 27 -1.392 5.652 -6.305 157 HB VAL 27 HB VAL 27 -3.347 4.847 -4.298 158 HG11 VAL 27 1HG1 VAL 27 -1.548 4.713 -2.748 159 HG12 VAL 27 2HG1 VAL 27 -1.259 3.803 -4.252 160 HG13 VAL 27 3HG1 VAL 27 -0.446 5.350 -3.931 161 HG21 VAL 27 3HG2 VAL 27 -2.723 6.769 -2.700 162 HG22 VAL 27 1HG2 VAL 27 -2.171 7.636 -4.158 163 HG23 VAL 27 2HG2 VAL 27 -3.863 7.165 -3.993 164 H SER 28 H SER 28 -1.289 3.622 -6.840 165 HA SER 28 HA SER 28 -3.545 2.289 -8.231 166 HB3 SER 28 2HB SER 28 -1.727 0.895 -9.133 167 HG SER 28 HG SER 28 -1.558 2.649 -10.404 168 H ILE 29 H ILE 29 -4.363 0.304 -7.360 169 HA ILE 29 HA ILE 29 -3.245 -0.522 -4.720 170 HB ILE 29 HB ILE 29 -6.120 -0.158 -5.643 171 HG13 ILE 29 2HG1 ILE 29 -4.791 1.890 -4.746 172 HG21 ILE 29 1HG2 ILE 29 -6.851 -1.169 -3.565 173 HG22 ILE 29 2HG2 ILE 29 -5.675 -2.274 -4.251 174 HG23 ILE 29 3HG2 ILE 29 -5.197 -1.235 -2.931 175 HD11 ILE 29 3HD1 ILE 29 -7.270 0.967 -3.283 176 HD12 ILE 29 1HD1 ILE 29 -6.506 2.519 -3.001 177 HD13 ILE 29 2HD1 ILE 29 -7.127 2.146 -4.615 178 H GLY 30 H GLY 30 -2.830 -2.678 -4.578 179 HA2 GLY 30 1HA GLY 30 -4.199 -4.633 -6.164 180 HA3 GLY 30 2HA GLY 30 -2.569 -4.314 -6.776 181 H GLY 31 H GLY 31 -3.084 -6.731 -5.956 182 HA2 GLY 31 1HA GLY 31 -0.964 -7.222 -4.111 183 HA3 GLY 31 2HA GLY 31 -2.533 -7.723 -3.432 184 H ALA 32 H ALA 32 -0.909 -9.821 -3.843 185 HA ALA 32 HA ALA 32 -2.090 -11.160 -6.198 186 HB1 ALA 32 1HB ALA 32 0.832 -11.469 -5.436 187 HB2 ALA 32 2HB ALA 32 -0.011 -12.158 -6.838 188 HB3 ALA 32 3HB ALA 32 0.277 -10.412 -6.762 189 H ASP 33 H ASP 33 -2.143 -13.495 -5.921 190 HA ASP 33 HA ASP 33 -2.042 -14.430 -3.115 191 HB3 ASP 33 2HB ASP 33 -4.303 -13.559 -3.549 192 H LYS 34 H LYS 34 -2.976 -16.899 -3.320 193 HA LYS 34 HA LYS 34 -0.846 -18.187 -4.865 194 HB3 LYS 34 2HB LYS 34 -2.874 -19.621 -3.100 195 HG3 LYS 34 2HG LYS 34 -0.017 -20.039 -4.075 196 HD3 LYS 34 2HD LYS 34 -0.258 -20.728 -1.644 197 HE3 LYS 34 2HE LYS 34 -2.212 -22.683 -2.926 198 HZ1 LYS 34 3HZ LYS 34 -2.236 -23.817 -0.886 199 HZ2 LYS 34 1HZ LYS 34 -1.126 -22.849 -0.165 200 HZ3 LYS 34 2HZ LYS 34 -0.717 -23.833 -1.452 201 H GLY 35 H GLY 35 -1.921 -17.315 -6.833 202 HA2 GLY 35 1HA GLY 35 -2.699 -19.337 -8.510 203 HA3 GLY 35 2HA GLY 35 -4.224 -18.728 -7.854 204 H GLY 36 H GLY 36 -3.397 -15.984 -7.549 205 HA2 GLY 36 1HA GLY 36 -2.970 -14.969 -10.295 206 HA3 GLY 36 2HA GLY 36 -4.642 -15.061 -9.711 207 HA PRO 37 HA PRO 37 -3.100 -10.943 -8.194 208 HB3 PRO 37 2HB PRO 37 -3.489 -9.958 -10.271 209 HG3 PRO 37 2HG PRO 37 -5.260 -10.732 -11.706 210 HD3 PRO 37 2HD PRO 37 -3.855 -12.595 -11.337 211 H ALA 38 H ALA 38 -4.021 -10.000 -6.388 212 HA ALA 38 HA ALA 38 -6.130 -11.638 -5.186 213 HB1 ALA 38 1HB ALA 38 -4.076 -11.105 -3.864 214 HB2 ALA 38 2HB ALA 38 -4.454 -9.367 -4.002 215 HB3 ALA 38 3HB ALA 38 -5.529 -10.438 -3.094 216 H LYS 39 H LYS 39 -8.149 -11.156 -5.271 217 HA LYS 39 HA LYS 39 -9.363 -8.731 -6.111 218 HB3 LYS 39 2HB LYS 39 -11.366 -9.625 -4.803 219 HG3 LYS 39 2HG LYS 39 -10.012 -11.630 -6.653 220 HD3 LYS 39 2HD LYS 39 -12.962 -10.966 -6.174 221 HE3 LYS 39 2HE LYS 39 -13.127 -13.331 -7.301 222 HZ1 LYS 39 3HZ LYS 39 -14.052 -11.446 -8.344 223 HZ2 LYS 39 1HZ LYS 39 -13.331 -12.364 -9.474 224 HZ3 LYS 39 2HZ LYS 39 -12.582 -10.984 -9.004 225 H LEU 40 H LEU 40 -9.344 -6.777 -5.216 226 HA LEU 40 HA LEU 40 -8.756 -6.404 -2.348 227 HB3 LEU 40 2HB LEU 40 -8.945 -4.039 -2.867 228 HG LEU 40 HG LEU 40 -7.331 -3.491 -4.389 229 HD11 LEU 40 1HD1 LEU 40 -6.450 -6.231 -3.405 230 HD12 LEU 40 2HD1 LEU 40 -6.504 -4.766 -2.399 231 HD13 LEU 40 3HD1 LEU 40 -5.406 -4.850 -3.786 232 HD21 LEU 40 3HD2 LEU 40 -8.169 -4.741 -6.355 233 HD22 LEU 40 1HD2 LEU 40 -7.229 -6.132 -5.763 234 HD23 LEU 40 2HD2 LEU 40 -6.420 -4.625 -6.190 235 H TYR 41 H TYR 41 -10.366 -4.924 -1.156 236 HA TYR 41 HA TYR 41 -13.150 -5.178 -2.127 237 HB3 TYR 41 2HB TYR 41 -13.841 -5.687 0.225 238 HD1 TYR 41 2HD TYR 41 -10.807 -7.757 -0.514 239 HD2 TYR 41 1HD TYR 41 -15.082 -7.455 -0.832 240 HE1 TYR 41 2HE TYR 41 -10.894 -10.054 -1.398 241 HE2 TYR 41 1HE TYR 41 -15.215 -9.716 -1.728 242 HH TYR 41 HH TYR 41 -13.894 -11.804 -1.602 243 H ASN 42 H ASN 42 -14.452 -3.488 -1.611 244 HA ASN 42 HA ASN 42 -13.176 -0.957 -0.765 245 HB3 ASN 42 2HB ASN 42 -14.690 -0.704 -2.629 246 HD21 ASN 42 1HD2 ASN 42 -17.634 -0.527 -0.784 247 HD22 ASN 42 2HD2 ASN 42 -18.329 -1.901 -1.608 248 H ASP 43 H ASP 43 -14.609 0.392 0.792 249 HA ASP 43 HA ASP 43 -14.404 -1.001 3.261 250 HB3 ASP 43 2HB ASP 43 -15.478 1.751 2.989 251 H LYS 44 H LYS 44 -16.767 -1.637 1.395 252 HA LYS 44 HA LYS 44 -18.867 -1.821 3.540 253 HB3 LYS 44 2HB LYS 44 -20.273 -2.780 1.603 254 HG3 LYS 44 2HG LYS 44 -20.391 -0.382 0.434 255 HD3 LYS 44 2HD LYS 44 -21.345 -0.449 3.312 256 HE3 LYS 44 2HE LYS 44 -22.628 0.263 0.629 257 HZ1 LYS 44 3HZ LYS 44 -23.857 0.517 3.307 258 HZ2 LYS 44 1HZ LYS 44 -24.247 -0.637 2.202 259 HZ3 LYS 44 2HZ LYS 44 -24.523 0.951 1.873 260 H GLY 45 H GLY 45 -16.339 -3.522 1.864 261 HA2 GLY 45 1HA GLY 45 -15.677 -5.695 2.133 262 HA3 GLY 45 2HA GLY 45 -17.214 -6.145 2.880 263 H GLU 46 H GLU 46 -17.427 -4.300 -0.065 264 HA GLU 46 HA GLU 46 -18.375 -6.654 -1.589 265 HB3 GLU 46 2HB GLU 46 -18.637 -4.644 -3.345 266 HG3 GLU 46 2HG GLU 46 -20.833 -4.027 -2.288 267 H TYR 47 H TYR 47 -17.498 -6.955 -3.702 268 HA TYR 47 HA TYR 47 -14.557 -6.596 -3.738 269 HB3 TYR 47 2HB TYR 47 -15.988 -8.821 -4.124 270 HD1 TYR 47 2HD TYR 47 -14.228 -7.987 -7.230 271 HD2 TYR 47 1HD TYR 47 -18.109 -8.763 -5.532 272 HE1 TYR 47 2HE TYR 47 -15.104 -8.392 -9.491 273 HE2 TYR 47 1HE TYR 47 -18.979 -9.289 -7.790 274 HH TYR 47 HH TYR 47 -18.369 -9.717 -10.056 275 H ILE 48 H ILE 48 -13.517 -5.440 -5.366 276 HA ILE 48 HA ILE 48 -15.146 -3.950 -7.364 277 HB ILE 48 HB ILE 48 -13.865 -1.862 -6.772 278 HG13 ILE 48 2HG1 ILE 48 -12.288 -3.183 -5.136 279 HG21 ILE 48 1HG2 ILE 48 -16.204 -2.002 -6.457 280 HG22 ILE 48 2HG2 ILE 48 -16.034 -2.985 -5.000 281 HG23 ILE 48 3HG2 ILE 48 -15.549 -1.280 -4.983 282 HD11 ILE 48 3HD1 ILE 48 -13.483 -0.449 -4.528 283 HD12 ILE 48 1HD1 ILE 48 -12.046 -1.108 -3.746 284 HD13 ILE 48 2HD1 ILE 48 -12.049 -0.804 -5.503 285 H GLY 49 H GLY 49 -12.931 -6.122 -7.300 286 HA2 GLY 49 1HA GLY 49 -11.962 -6.515 -9.546 287 HA3 GLY 49 2HA GLY 49 -11.262 -4.889 -9.468 288 H ASP 50 H ASP 50 -9.511 -6.767 -9.931 289 HA ASP 50 HA ASP 50 -8.076 -7.225 -7.367 290 HB3 ASP 50 2HB ASP 50 -8.652 -9.360 -8.103 291 H SER 51 H SER 51 -8.258 -5.050 -9.654 292 HA SER 51 HA SER 51 -5.816 -3.910 -8.915 293 HB3 SER 51 2HB SER 51 -5.982 -5.152 -11.665 294 HG SER 51 HG SER 51 -5.240 -3.372 -12.515 295 H TYR 52 H TYR 52 -5.900 -1.730 -9.343 296 HA TYR 52 HA TYR 52 -7.361 -0.309 -11.233 297 HB3 TYR 52 2HB TYR 52 -9.453 -0.897 -10.185 298 HD1 TYR 52 1HD TYR 52 -8.263 1.262 -7.413 299 HD2 TYR 52 2HD TYR 52 -9.676 -2.650 -8.555 300 HE1 TYR 52 1HE TYR 52 -8.771 0.797 -5.088 301 HE2 TYR 52 2HE TYR 52 -10.052 -3.221 -6.209 302 HH TYR 52 HH TYR 52 -9.403 -0.872 -3.516 303 H SER 53 H SER 53 -7.538 2.152 -10.345 304 HA SER 53 HA SER 53 -5.695 2.666 -8.117 305 HB3 SER 53 2HB SER 53 -4.414 3.194 -10.139 306 HG SER 53 HG SER 53 -5.103 4.336 -11.678 307 H ALA 54 H ALA 54 -6.157 4.707 -7.063 308 HA ALA 54 HA ALA 54 -8.806 5.875 -7.559 309 HB1 ALA 54 1HB ALA 54 -9.094 3.799 -6.021 310 HB2 ALA 54 2HB ALA 54 -8.137 4.675 -4.828 311 HB3 ALA 54 3HB ALA 54 -9.672 5.356 -5.383 312 H GLN 55 H GLN 55 -8.422 7.976 -7.639 313 HA GLN 55 HA GLN 55 -6.114 9.116 -6.296 314 HB3 GLN 55 2HB GLN 55 -8.480 10.538 -7.583 315 HG3 GLN 55 2HG GLN 55 -5.518 11.268 -7.369 316 HE21 GLN 55 1HE2 GLN 55 -7.165 13.942 -6.729 317 HE22 GLN 55 2HE2 GLN 55 -7.217 14.694 -8.329 318 H ILE 56 H ILE 56 -6.037 9.901 -4.309 319 HA ILE 56 HA ILE 56 -8.145 9.398 -2.451 320 HB ILE 56 HB ILE 56 -5.928 11.404 -1.973 321 HG13 ILE 56 2HG1 ILE 56 -4.371 9.725 -1.369 322 HG21 ILE 56 1HG2 ILE 56 -6.115 10.597 0.356 323 HG22 ILE 56 2HG2 ILE 56 -7.643 11.255 -0.237 324 HG23 ILE 56 3HG2 ILE 56 -7.448 9.510 -0.114 325 HD11 ILE 56 3HD1 ILE 56 -5.848 7.958 -0.391 326 HD12 ILE 56 1HD1 ILE 56 -6.480 7.606 -2.020 327 HD13 ILE 56 2HD1 ILE 56 -4.782 7.295 -1.633 328 H ARG 57 H ARG 57 -10.013 10.520 -2.240 329 HA ARG 57 HA ARG 57 -10.053 13.434 -2.714 330 HB3 ARG 57 2HB ARG 57 -12.247 13.064 -3.967 331 HG3 ARG 57 2HG ARG 57 -11.152 12.522 -6.191 332 HD3 ARG 57 2HD ARG 57 -9.073 14.130 -5.872 333 HE ARG 57 HE ARG 57 -10.777 15.140 -7.005 334 HH11 ARG 57 1HH1 ARG 57 -11.596 15.338 -3.478 335 HH12 ARG 57 2HH1 ARG 57 -13.018 16.258 -3.793 336 HH21 ARG 57 1HH2 ARG 57 -12.475 16.403 -7.301 337 HH22 ARG 57 2HH2 ARG 57 -13.553 16.905 -6.020 338 H THR 58 H THR 58 -9.968 12.012 -0.369 339 HA THR 58 HA THR 58 -12.601 12.454 0.746 340 HB THR 58 HB THR 58 -11.877 9.942 1.702 341 HG1 THR 58 1HG THR 58 -11.550 9.215 -0.841 342 HG21 THR 58 3HG2 THR 58 -13.425 10.528 -0.838 343 HG22 THR 58 1HG2 THR 58 -14.064 10.573 0.825 344 HG23 THR 58 2HG2 THR 58 -13.530 9.033 0.133 345 H ALA 59 H ALA 59 -12.387 12.754 3.102 346 HA ALA 59 HA ALA 59 -10.008 13.861 4.076 347 HB1 ALA 59 1HB ALA 59 -12.362 12.551 5.525 348 HB2 ALA 59 2HB ALA 59 -11.137 13.534 6.330 349 HB3 ALA 59 3HB ALA 59 -12.191 14.272 5.112 350 H THR 60 H THR 60 -11.075 10.432 4.247 351 HA THR 60 HA THR 60 -8.334 9.694 4.370 352 HB THR 60 HB THR 60 -8.481 9.904 6.665 353 HG1 THR 60 1HG THR 60 -8.883 7.400 7.204 354 HG21 THR 60 3HG2 THR 60 -10.013 9.036 8.196 355 HG22 THR 60 1HG2 THR 60 -11.013 8.300 6.899 356 HG23 THR 60 2HG2 THR 60 -10.892 10.076 7.070 357 H MET 61 H MET 61 -8.167 7.314 4.067 358 HA MET 61 HA MET 61 -10.324 6.172 2.396 359 HB3 MET 61 2HB MET 61 -7.844 5.495 1.176 360 HG3 MET 61 2HG MET 61 -8.533 6.937 -0.633 361 HE1 MET 61 3HE MET 61 -9.932 3.359 -1.138 362 HE2 MET 61 1HE MET 61 -8.829 4.595 -1.777 363 HE3 MET 61 2HE MET 61 -8.635 4.030 -0.107 364 H SER 62 H SER 62 -9.761 3.983 1.842 365 HA SER 62 HA SER 62 -7.747 2.529 3.167 366 HB3 SER 62 2HB SER 62 -9.122 2.796 5.176 367 HG SER 62 HG SER 62 -11.253 1.552 4.980 368 H CYS 63 H CYS 63 -7.904 0.157 2.659 369 HA CYS 63 HA CYS 63 -10.031 -0.874 1.032 370 HB3 CYS 63 2HB CYS 63 -8.324 -1.817 -0.688 371 HG CYS 63 HG CYS 63 -9.354 1.274 -0.498 372 H CYS 64 H CYS 64 -9.670 -3.311 0.840 373 HA CYS 64 HA CYS 64 -7.536 -4.420 2.529 374 HB3 CYS 64 2HB CYS 64 -9.126 -4.108 4.178 375 HG CYS 64 HG CYS 64 -11.605 -4.541 4.362 376 H THR 65 H THR 65 -8.066 -6.992 2.598 377 HA THR 65 HA THR 65 -8.576 -7.917 -0.173 378 HB THR 65 HB THR 65 -6.638 -9.333 -0.099 379 HG1 THR 65 1HG THR 65 -6.223 -9.903 1.892 380 HG21 THR 65 3HG2 THR 65 -6.291 -7.022 -0.911 381 HG22 THR 65 1HG2 THR 65 -4.819 -7.691 -0.163 382 HG23 THR 65 2HG2 THR 65 -5.813 -6.515 0.718 383 H ASN 66 H ASN 66 -8.595 -10.511 0.005 384 HA ASN 66 HA ASN 66 -9.913 -11.318 2.549 385 HB3 ASN 66 2HB ASN 66 -11.320 -11.780 0.516 386 HD21 ASN 66 1HD2 ASN 66 -10.912 -12.071 -1.687 387 HD22 ASN 66 2HD2 ASN 66 -9.847 -13.295 -2.346 388 H GLY 67 H GLY 67 -9.287 -13.753 2.957 389 HA2 GLY 67 1HA GLY 67 -6.456 -13.508 3.566 390 HA3 GLY 67 2HA GLY 67 -7.586 -14.671 4.224 391 H ASN 68 H ASN 68 -6.431 -13.875 0.949 392 HA ASN 68 HA ASN 68 -5.051 -16.516 0.773 393 HB3 ASN 68 2HB ASN 68 -6.732 -15.392 -1.495 394 HD21 ASN 68 1HD2 ASN 68 -7.100 -16.991 -3.265 395 HD22 ASN 68 2HD2 ASN 68 -5.892 -18.203 -3.584 396 H ALA 69 H ALA 69 -4.831 -13.156 0.596 397 HA ALA 69 HA ALA 69 -3.024 -12.947 -1.672 398 HB1 ALA 69 1HB ALA 69 -4.509 -11.070 -0.921 399 HB2 ALA 69 2HB ALA 69 -3.622 -11.008 0.616 400 HB3 ALA 69 3HB ALA 69 -2.797 -10.617 -0.908 401 H PHE 70 H PHE 70 -0.888 -12.113 -1.432 402 HA PHE 70 HA PHE 70 0.625 -13.075 0.955 403 HB3 PHE 70 2HB PHE 70 2.527 -13.333 -0.685 404 HD1 PHE 70 2HD PHE 70 1.623 -15.119 1.065 405 HD2 PHE 70 1HD PHE 70 0.539 -14.915 -3.071 406 HE1 PHE 70 2HE PHE 70 0.988 -17.530 1.146 407 HE2 PHE 70 1HE PHE 70 0.221 -17.374 -3.092 408 HZ PHE 70 HZ PHE 70 0.405 -18.688 -0.980 409 H PHE 71 H PHE 71 -0.490 -10.328 -0.499 410 HA PHE 71 HA PHE 71 0.870 -8.642 1.156 411 HB3 PHE 71 2HB PHE 71 2.876 -8.929 -0.241 412 HD1 PHE 71 1HD PHE 71 2.584 -10.485 -2.143 413 HD2 PHE 71 2HD PHE 71 1.606 -6.299 -2.383 414 HE1 PHE 71 1HE PHE 71 2.735 -10.591 -4.613 415 HE2 PHE 71 2HE PHE 71 1.661 -6.422 -4.850 416 HZ PHE 71 HZ PHE 71 2.243 -8.575 -5.969 417 H MET 72 H MET 72 0.411 -6.306 0.448 418 HA MET 72 HA MET 72 -1.536 -5.927 -1.661 419 HB3 MET 72 2HB MET 72 -1.726 -4.640 1.094 420 HG3 MET 72 2HG MET 72 -3.869 -4.777 -1.026 421 HE1 MET 72 3HE MET 72 -6.280 -3.895 -0.225 422 HE2 MET 72 1HE MET 72 -6.270 -2.379 0.705 423 HE3 MET 72 2HE MET 72 -5.360 -2.477 -0.817 424 H THR 73 H THR 73 -1.214 -3.566 -2.370 425 HA THR 73 HA THR 73 0.947 -2.169 -1.044 426 HB THR 73 HB THR 73 2.211 -3.489 -2.609 427 HG1 THR 73 1HG THR 73 3.317 -1.903 -3.512 428 HG21 THR 73 3HG2 THR 73 1.958 -3.182 -5.061 429 HG22 THR 73 1HG2 THR 73 0.423 -2.334 -4.784 430 HG23 THR 73 2HG2 THR 73 0.611 -4.046 -4.315 431 H CYS 74 H CYS 74 1.231 -0.027 -1.982 432 HA CYS 74 HA CYS 74 -1.011 1.256 -3.317 433 HB3 CYS 74 2HB CYS 74 -0.465 2.646 -0.741 434 HG CYS 74 HG CYS 74 -2.341 3.236 -2.663 435 H ALA 75 H ALA 75 1.065 1.157 -4.650 436 HA ALA 75 HA ALA 75 3.091 3.225 -4.133 437 HB1 ALA 75 1HB ALA 75 3.711 1.201 -5.391 438 HB2 ALA 75 2HB ALA 75 2.435 1.545 -6.591 439 HB3 ALA 75 3HB ALA 75 3.810 2.659 -6.399 440 H GLY 76 H GLY 76 2.881 5.453 -4.867 441 HA2 GLY 76 1HA GLY 76 0.828 6.035 -6.850 442 HA3 GLY 76 2HA GLY 76 0.485 6.608 -5.214 443 H SER 77 H SER 77 0.500 8.517 -6.771 444 HA SER 77 HA SER 77 3.045 9.883 -6.411 445 HB3 SER 77 2HB SER 77 3.030 8.930 -8.682 446 HG SER 77 HG SER 77 1.631 9.789 -10.198 447 H VAL 78 H VAL 78 2.763 12.202 -6.734 448 HA VAL 78 HA VAL 78 0.027 13.216 -6.338 449 HB VAL 78 HB VAL 78 0.874 13.106 -4.102 450 HG11 VAL 78 1HG1 VAL 78 3.048 14.273 -3.473 451 HG12 VAL 78 2HG1 VAL 78 3.194 12.734 -4.326 452 HG13 VAL 78 3HG1 VAL 78 3.440 14.282 -5.184 453 HG21 VAL 78 3HG2 VAL 78 1.373 15.979 -4.964 454 HG22 VAL 78 1HG2 VAL 78 -0.202 15.304 -4.549 455 HG23 VAL 78 2HG2 VAL 78 1.050 15.411 -3.321 456 H SER 79 H SER 79 -0.234 15.406 -7.181 457 HA SER 79 HA SER 79 2.164 16.721 -8.214 458 HB3 SER 79 2HB SER 79 1.523 16.891 -10.433 459 HG SER 79 HG SER 79 -0.221 14.813 -10.528 460 H SER 80 H SER 80 1.703 19.009 -8.692 461 HA SER 80 HA SER 80 -1.006 19.810 -8.445 462 HB3 SER 80 2HB SER 80 -0.312 20.080 -6.087 463 HG SER 80 HG SER 80 1.382 22.158 -6.984 464 H ILE 81 H ILE 81 -1.330 21.924 -9.312 465 HA ILE 81 HA ILE 81 0.828 23.186 -10.896 466 HB ILE 81 HB ILE 81 -0.859 23.523 -12.716 467 HG13 ILE 81 2HG1 ILE 81 -2.863 22.978 -11.171 468 HG21 ILE 81 1HG2 ILE 81 0.872 21.831 -12.944 469 HG22 ILE 81 2HG2 ILE 81 -0.128 20.614 -12.121 470 HG23 ILE 81 3HG2 ILE 81 -0.594 21.251 -13.702 471 HD11 ILE 81 3HD1 ILE 81 -4.206 21.970 -12.930 472 HD12 ILE 81 1HD1 ILE 81 -3.206 23.312 -13.550 473 HD13 ILE 81 2HD1 ILE 81 -2.760 21.619 -13.879 474 H SER 82 H SER 82 -0.719 23.552 -8.313 475 HA SER 82 HA SER 82 -2.224 26.047 -8.628 476 HB3 SER 82 2HB SER 82 -1.304 24.920 -5.973 477 HG SER 82 HG SER 82 -3.330 25.668 -5.361 478 H GLU 83 H GLU 83 -1.710 27.531 -6.860 479 HA GLU 83 HA GLU 83 0.831 28.835 -7.504 480 HB3 GLU 83 2HB GLU 83 -0.032 30.783 -6.508 481 HG3 GLU 83 2HG GLU 83 -2.249 31.139 -7.342 482 H ALA 84 H ALA 84 2.185 29.789 -5.770 483 HA ALA 84 HA ALA 84 3.250 27.840 -4.080 484 HB1 ALA 84 1HB ALA 84 4.462 29.794 -5.079 485 HB2 ALA 84 2HB ALA 84 3.606 30.866 -3.960 486 HB3 ALA 84 3HB ALA 84 4.733 29.648 -3.329 487 H GLY 85 H GLY 85 3.581 27.861 -1.776 488 HA2 GLY 85 1HA GLY 85 3.195 28.405 0.434 489 HA3 GLY 85 2HA GLY 85 1.980 29.590 -0.040 490 H LYS 86 H LYS 86 1.178 26.734 -1.598 491 HA LYS 86 HA LYS 86 -0.964 26.003 0.267 492 HB3 LYS 86 2HB LYS 86 -1.440 24.209 -1.350 493 HG3 LYS 86 2HG LYS 86 -1.781 25.595 -3.455 494 HD3 LYS 86 2HD LYS 86 -2.821 26.686 -0.800 495 HE3 LYS 86 2HE LYS 86 -4.715 27.199 -2.745 496 HZ1 LYS 86 3HZ LYS 86 -4.101 29.500 -2.467 497 HZ2 LYS 86 1HZ LYS 86 -2.661 29.096 -1.749 498 HZ3 LYS 86 2HZ LYS 86 -4.104 28.724 -1.045 499 H ARG 87 H ARG 87 -0.992 23.583 0.963 500 HA ARG 87 HA ARG 87 1.664 22.411 1.315 501 HB3 ARG 87 2HB ARG 87 1.453 24.020 3.173 502 HG3 ARG 87 2HG ARG 87 -0.669 22.349 4.507 503 HD3 ARG 87 2HD ARG 87 0.130 25.295 4.597 504 HE ARG 87 HE ARG 87 -2.154 24.181 5.718 505 HH11 ARG 87 1HH1 ARG 87 0.775 25.727 6.922 506 HH12 ARG 87 2HH1 ARG 87 0.109 26.285 8.409 507 HH21 ARG 87 1HH2 ARG 87 -3.086 24.801 7.652 508 HH22 ARG 87 2HH2 ARG 87 -2.152 25.595 8.917 509 H LEU 88 H LEU 88 1.530 20.169 2.245 510 HA LEU 88 HA LEU 88 -1.125 18.983 2.200 511 HB3 LEU 88 2HB LEU 88 1.015 17.928 0.318 512 HG LEU 88 HG LEU 88 -1.021 16.596 1.015 513 HD11 LEU 88 1HD1 LEU 88 -2.637 18.247 -0.974 514 HD12 LEU 88 2HD1 LEU 88 -2.581 18.726 0.688 515 HD13 LEU 88 3HD1 LEU 88 -3.219 17.101 0.260 516 HD21 LEU 88 3HD2 LEU 88 -0.708 17.144 -1.926 517 HD22 LEU 88 1HD2 LEU 88 -1.542 15.734 -1.188 518 HD23 LEU 88 2HD2 LEU 88 0.187 15.957 -0.938 519 H HIS 89 H HIS 89 -1.122 17.388 3.635 520 HA HIS 89 HA HIS 89 1.415 16.154 4.581 521 HB3 HIS 89 2HB HIS 89 -0.945 17.020 6.298 522 HD1 HIS 89 1HD HIS 89 1.863 17.591 8.300 523 HD2 HIS 89 2HD HIS 89 -0.053 14.038 6.982 524 HE1 HIS 89 1HE HIS 89 2.526 15.742 9.905 525 H ILE 90 H ILE 90 1.256 14.133 3.889 526 HA ILE 90 HA ILE 90 -1.396 12.795 3.636 527 HB ILE 90 HB ILE 90 1.269 12.506 2.217 528 HG13 ILE 90 2HG1 ILE 90 0.239 13.257 0.325 529 HG21 ILE 90 1HG2 ILE 90 0.650 10.244 2.687 530 HG22 ILE 90 2HG2 ILE 90 -1.039 10.526 2.220 531 HG23 ILE 90 3HG2 ILE 90 0.264 10.554 1.006 532 HD11 ILE 90 3HD1 ILE 90 -2.232 13.381 -0.060 533 HD12 ILE 90 1HD1 ILE 90 -1.553 11.743 -0.064 534 HD13 ILE 90 2HD1 ILE 90 -2.463 12.346 1.356 535 H THR 91 H THR 91 -1.704 11.047 4.829 536 HA THR 91 HA THR 91 0.530 9.975 6.483 537 HB THR 91 HB THR 91 -2.411 10.174 7.155 538 HG1 THR 91 1HG THR 91 -1.497 12.105 7.339 539 HG21 THR 91 3HG2 THR 91 -0.117 9.203 8.906 540 HG22 THR 91 1HG2 THR 91 -1.352 8.155 8.185 541 HG23 THR 91 2HG2 THR 91 -1.812 9.360 9.394 542 H VAL 92 H VAL 92 0.872 7.782 6.279 543 HA VAL 92 HA VAL 92 -0.886 6.195 4.554 544 HB VAL 92 HB VAL 92 1.545 5.510 3.562 545 HG11 VAL 92 1HG1 VAL 92 0.888 6.882 1.530 546 HG12 VAL 92 2HG1 VAL 92 -0.424 5.922 2.207 547 HG13 VAL 92 3HG1 VAL 92 -0.361 7.670 2.519 548 HG21 VAL 92 3HG2 VAL 92 2.735 7.440 4.580 549 HG22 VAL 92 1HG2 VAL 92 2.790 7.404 2.800 550 HG23 VAL 92 2HG2 VAL 92 1.723 8.543 3.650 551 H ILE 93 H ILE 93 -1.338 4.399 5.647 552 HA ILE 93 HA ILE 93 0.753 3.192 7.369 553 HB ILE 93 HB ILE 93 -2.177 3.503 8.141 554 HG13 ILE 93 2HG1 ILE 93 -1.055 5.790 8.069 555 HG21 ILE 93 1HG2 ILE 93 -0.965 1.638 9.216 556 HG22 ILE 93 2HG2 ILE 93 0.330 2.713 9.757 557 HG23 ILE 93 3HG2 ILE 93 -1.304 2.856 10.420 558 HD11 ILE 93 3HD1 ILE 93 -2.894 5.103 9.697 559 HD12 ILE 93 1HD1 ILE 93 -1.615 5.023 10.913 560 HD13 ILE 93 2HD1 ILE 93 -1.964 6.559 10.073 561 H GLY 94 H GLY 94 0.677 0.984 7.378 562 HA2 GLY 94 1HA GLY 94 -1.373 -0.418 5.712 563 HA3 GLY 94 2HA GLY 94 0.345 -0.558 5.287 564 H TYR 95 H TYR 95 -1.454 -2.710 6.046 565 HA TYR 95 HA TYR 95 -0.318 -3.624 8.626 566 HB3 TYR 95 2HB TYR 95 -2.697 -4.330 9.133 567 HD1 TYR 95 2HD TYR 95 -2.023 -3.111 11.136 568 HD2 TYR 95 1HD TYR 95 -3.416 -1.053 7.617 569 HE1 TYR 95 2HE TYR 95 -2.389 -1.073 12.499 570 HE2 TYR 95 1HE TYR 95 -3.771 1.011 8.974 571 HH TYR 95 HH TYR 95 -3.045 2.039 11.228 572 H ILE 96 H ILE 96 -0.452 -5.922 8.925 573 HA ILE 96 HA ILE 96 -1.567 -7.480 6.643 574 HB ILE 96 HB ILE 96 0.808 -8.480 8.246 575 HG13 ILE 96 2HG1 ILE 96 1.540 -6.731 6.765 576 HG21 ILE 96 1HG2 ILE 96 -0.659 -10.279 7.592 577 HG22 ILE 96 2HG2 ILE 96 -0.915 -9.591 5.965 578 HG23 ILE 96 3HG2 ILE 96 0.641 -10.276 6.430 579 HD11 ILE 96 3HD1 ILE 96 2.890 -8.892 6.929 580 HD12 ILE 96 1HD1 ILE 96 2.269 -9.260 5.295 581 HD13 ILE 96 2HD1 ILE 96 3.241 -7.803 5.590 582 H ASP 97 H ASP 97 -3.389 -8.234 7.376 583 HA ASP 97 HA ASP 97 -4.798 -9.556 8.287 584 HB3 ASP 97 2HB ASP 97 -2.695 -10.818 10.037 585 H ASP 98 H ASP 98 -2.708 -8.538 10.984 586 HA ASP 98 HA ASP 98 -4.696 -6.643 11.629 587 HB3 ASP 98 2HB ASP 98 -4.229 -8.217 14.134 588 H LYS 99 H LYS 99 -1.576 -7.096 11.225 589 HA LYS 99 HA LYS 99 -0.546 -5.799 13.691 590 HB3 LYS 99 2HB LYS 99 1.676 -6.556 12.704 591 HG3 LYS 99 2HG LYS 99 -0.149 -7.857 14.450 592 HD3 LYS 99 2HD LYS 99 0.499 -10.180 14.238 593 HE3 LYS 99 2HE LYS 99 -0.642 -9.287 11.576 594 HZ1 LYS 99 3HZ LYS 99 -0.952 -11.715 13.217 595 HZ2 LYS 99 1HZ LYS 99 -0.639 -11.588 11.626 596 HZ3 LYS 99 2HZ LYS 99 -2.159 -11.269 12.206 597 H GLU 100 H GLU 100 0.797 -3.999 13.553 598 HA GLU 100 HA GLU 100 0.474 -2.148 11.318 599 HB3 GLU 100 2HB GLU 100 1.929 -2.171 13.976 600 HG3 GLU 100 2HG GLU 100 1.642 0.485 12.661 601 H VAL 101 H VAL 101 1.767 -2.458 9.503 602 HA VAL 101 HA VAL 101 4.377 -3.833 9.935 603 HB VAL 101 HB VAL 101 2.072 -4.815 8.934 604 HG11 VAL 101 1HG1 VAL 101 2.065 -3.037 7.124 605 HG12 VAL 101 2HG1 VAL 101 3.316 -4.013 6.343 606 HG13 VAL 101 3HG1 VAL 101 1.711 -4.676 6.660 607 HG21 VAL 101 3HG2 VAL 101 3.865 -6.101 9.510 608 HG22 VAL 101 1HG2 VAL 101 3.377 -6.569 7.895 609 HG23 VAL 101 2HG2 VAL 101 4.833 -5.563 8.112 610 H ASN 102 H ASN 102 3.030 -0.917 9.016 611 HA ASN 102 HA ASN 102 5.348 0.026 7.604 612 HB3 ASN 102 2HB ASN 102 2.793 0.242 5.965 613 HD21 ASN 102 1HD2 ASN 102 4.210 -0.832 3.731 614 HD22 ASN 102 2HD2 ASN 102 5.808 -0.252 3.606 615 H ARG 103 H ARG 103 5.466 2.149 8.170 616 HA ARG 103 HA ARG 103 3.042 3.790 8.440 617 HB3 ARG 103 2HB ARG 103 4.782 2.937 10.784 618 HG3 ARG 103 2HG ARG 103 3.605 5.607 10.418 619 HD3 ARG 103 2HD ARG 103 1.883 4.502 11.882 620 HE ARG 103 HE ARG 103 3.958 3.563 13.486 621 HH11 ARG 103 1HH1 ARG 103 0.997 5.497 13.839 622 HH12 ARG 103 2HH1 ARG 103 0.987 5.476 15.567 623 HH21 ARG 103 1HH2 ARG 103 3.942 3.477 15.743 624 HH22 ARG 103 2HH2 ARG 103 2.656 4.152 16.716 625 H LEU 104 H LEU 104 3.467 5.337 7.209 626 HA LEU 104 HA LEU 104 5.719 7.035 8.016 627 HB3 LEU 104 2HB LEU 104 6.683 5.676 6.269 628 HG LEU 104 HG LEU 104 4.256 5.925 4.882 629 HD11 LEU 104 1HD1 LEU 104 6.523 7.303 3.351 630 HD12 LEU 104 2HD1 LEU 104 5.083 8.135 3.944 631 HD13 LEU 104 3HD1 LEU 104 4.950 6.885 2.679 632 HD21 LEU 104 3HD2 LEU 104 5.282 4.489 3.231 633 HD22 LEU 104 1HD2 LEU 104 5.789 4.005 4.857 634 HD23 LEU 104 2HD2 LEU 104 6.908 4.907 3.827 635 H GLU 105 H GLU 105 5.583 9.125 6.494 636 HA GLU 105 HA GLU 105 2.935 10.013 5.802 637 HB3 GLU 105 2HB GLU 105 3.524 12.191 7.181 638 HG3 GLU 105 2HG GLU 105 2.038 9.806 8.003 639 H LYS 106 H LYS 106 3.321 12.348 4.889 640 HA LYS 106 HA LYS 106 6.059 12.874 4.126 641 HB3 LYS 106 2HB LYS 106 4.070 12.846 1.847 642 HG3 LYS 106 2HG LYS 106 6.557 13.761 1.764 643 HD3 LYS 106 2HD LYS 106 7.583 11.665 2.788 644 HE3 LYS 106 2HE LYS 106 6.616 10.560 0.115 645 HZ1 LYS 106 3HZ LYS 106 8.028 8.714 0.476 646 HZ2 LYS 106 1HZ LYS 106 8.472 9.255 1.988 647 HZ3 LYS 106 2HZ LYS 106 8.944 10.047 0.608 648 H GLU 107 H GLU 107 6.171 15.048 3.126 649 HA GLU 107 HA GLU 107 3.837 16.818 3.625 650 HB3 GLU 107 2HB GLU 107 6.728 17.400 4.341 651 HG3 GLU 107 2HG GLU 107 4.480 19.116 5.334 652 H TYR 108 H TYR 108 3.530 18.236 1.831 653 HA TYR 108 HA TYR 108 5.819 18.794 0.071 654 HB3 TYR 108 2HB TYR 108 4.655 18.419 -1.915 655 HD1 TYR 108 1HD TYR 108 6.325 16.418 -1.725 656 HD2 TYR 108 2HD TYR 108 2.246 16.262 -0.414 657 HE1 TYR 108 1HE TYR 108 6.365 13.928 -1.875 658 HE2 TYR 108 2HE TYR 108 2.255 13.829 -0.533 659 HH TYR 108 HH TYR 108 3.402 11.985 -1.200 660 H ILE 109 H ILE 109 5.612 20.873 -0.944 661 HA ILE 109 HA ILE 109 3.344 22.579 -0.221 662 HB ILE 109 HB ILE 109 6.237 22.900 0.617 663 HG13 ILE 109 2HG1 ILE 109 4.779 21.795 2.212 664 HG21 ILE 109 1HG2 ILE 109 5.845 25.248 1.301 665 HG22 ILE 109 2HG2 ILE 109 5.814 25.025 -0.431 666 HG23 ILE 109 3HG2 ILE 109 4.293 25.216 0.451 667 HD11 ILE 109 3HD1 ILE 109 5.104 24.544 3.344 668 HD12 ILE 109 1HD1 ILE 109 5.084 22.986 4.178 669 HD13 ILE 109 2HD1 ILE 109 6.452 23.406 3.123 670 H THR 110 H THR 110 3.259 24.490 -1.653 671 HA THR 110 HA THR 110 4.593 24.024 -4.251 672 HB THR 110 HB THR 110 2.884 25.820 -4.922 673 HG1 THR 110 1HG THR 110 1.305 26.282 -3.679 674 HG21 THR 110 3HG2 THR 110 1.764 23.215 -3.769 675 HG22 THR 110 1HG2 THR 110 2.561 23.374 -5.339 676 HG23 THR 110 2HG2 THR 110 1.029 24.213 -5.039 677 H ASP 111 H ASP 111 6.004 25.468 -5.132 678 HA ASP 111 HA ASP 111 6.650 27.984 -3.681 679 HB3 ASP 111 2HB ASP 111 8.943 27.706 -4.592 680 H GLY 112 H GLY 112 5.003 26.859 -6.294 681 HA2 GLY 112 1HA GLY 112 4.114 28.519 -7.854 682 HA3 GLY 112 2HA GLY 112 5.768 29.089 -8.118 683 H ASN 113 H ASN 113 6.910 26.347 -7.970 684 HA ASN 113 HA ASN 113 6.683 25.759 -10.807 685 HB3 ASN 113 2HB ASN 113 8.592 24.403 -10.463 686 HD21 ASN 113 1HD2 ASN 113 9.429 25.815 -7.476 687 HD22 ASN 113 2HD2 ASN 113 9.924 27.420 -8.022 688 H THR 114 H THR 114 6.493 23.440 -11.559 689 HA THR 114 HA THR 114 4.010 22.412 -10.633 690 HB THR 114 HB THR 114 5.201 20.460 -12.277 691 HG1 THR 114 1HG THR 114 6.223 21.440 -13.817 692 HG21 THR 114 3HG2 THR 114 3.546 22.892 -13.091 693 HG22 THR 114 1HG2 THR 114 2.924 21.378 -12.405 694 HG23 THR 114 2HG2 THR 114 3.715 21.352 -13.982 695 H LEU 115 H LEU 115 3.792 21.426 -8.723 696 HA LEU 115 HA LEU 115 5.930 19.965 -7.421 697 HB3 LEU 115 2HB LEU 115 2.925 19.916 -6.978 698 HG LEU 115 HG LEU 115 5.224 18.857 -5.393 699 HD11 LEU 115 1HD1 LEU 115 3.391 19.331 -3.380 700 HD12 LEU 115 2HD1 LEU 115 3.327 20.845 -4.269 701 HD13 LEU 115 3HD1 LEU 115 4.883 20.235 -3.686 702 HD21 LEU 115 3HD2 LEU 115 2.237 18.238 -5.411 703 HD22 LEU 115 1HD2 LEU 115 3.530 17.308 -4.550 704 HD23 LEU 115 2HD2 LEU 115 3.487 17.336 -6.304 705 H ILE 116 H ILE 116 6.315 17.834 -7.447 706 HA ILE 116 HA ILE 116 4.394 15.933 -8.418 707 HB ILE 116 HB ILE 116 6.983 16.263 -10.003 708 HG13 ILE 116 2HG1 ILE 116 5.311 17.654 -10.841 709 HG21 ILE 116 1HG2 ILE 116 5.025 13.962 -9.826 710 HG22 ILE 116 2HG2 ILE 116 6.167 14.118 -11.165 711 HG23 ILE 116 3HG2 ILE 116 6.777 13.916 -9.531 712 HD11 ILE 116 3HD1 ILE 116 4.879 16.970 -13.051 713 HD12 ILE 116 1HD1 ILE 116 6.376 16.130 -12.615 714 HD13 ILE 116 2HD1 ILE 116 4.831 15.256 -12.607 715 H GLU 117 H GLU 117 4.693 14.156 -7.313 716 HA GLU 117 HA GLU 117 7.305 13.305 -6.417 717 HB3 GLU 117 2HB GLU 117 5.912 13.228 -3.947 718 HG3 GLU 117 2HG GLU 117 7.714 14.945 -3.353 719 H THR 118 H THR 118 7.078 11.288 -4.936 720 HA THR 118 HA THR 118 4.712 9.619 -5.547 721 HB THR 118 HB THR 118 6.137 7.792 -6.266 722 HG1 THR 118 1HG THR 118 8.144 9.777 -6.098 723 HG21 THR 118 3HG2 THR 118 6.593 8.451 -8.504 724 HG22 THR 118 1HG2 THR 118 6.644 10.176 -8.076 725 HG23 THR 118 2HG2 THR 118 5.118 9.274 -7.984 726 H PHE 119 H PHE 119 4.598 7.745 -4.361 727 HA PHE 119 HA PHE 119 6.348 7.370 -2.035 728 HB3 PHE 119 2HB PHE 119 4.763 8.979 -1.155 729 HD1 PHE 119 1HD PHE 119 3.248 9.912 -2.907 730 HD2 PHE 119 2HD PHE 119 2.338 6.239 -0.824 731 HE1 PHE 119 1HE PHE 119 0.856 10.153 -3.524 732 HE2 PHE 119 2HE PHE 119 -0.039 6.453 -1.504 733 HZ PHE 119 HZ PHE 119 -0.778 8.428 -2.805 734 H SER 120 H SER 120 5.231 5.366 -0.689 735 HA SER 120 HA SER 120 3.846 3.476 -2.310 736 HB3 SER 120 2HB SER 120 6.860 3.152 -1.953 737 HG SER 120 HG SER 120 6.166 1.155 -1.615 738 H VAL 121 H VAL 121 3.184 1.736 -1.113 739 HA VAL 121 HA VAL 121 4.030 1.409 1.669 740 HB VAL 121 HB VAL 121 1.074 1.820 1.015 741 HG11 VAL 121 1HG1 VAL 121 2.668 1.797 3.602 742 HG12 VAL 121 2HG1 VAL 121 0.925 2.012 3.486 743 HG13 VAL 121 3HG1 VAL 121 1.655 0.453 3.018 744 HG21 VAL 121 3HG2 VAL 121 2.115 4.017 0.682 745 HG22 VAL 121 1HG2 VAL 121 1.112 3.940 2.122 746 HG23 VAL 121 2HG2 VAL 121 2.896 3.872 2.277 747 H SER 122 H SER 122 4.847 -0.614 0.904 748 HA SER 122 HA SER 122 2.931 -2.619 -0.183 749 HB3 SER 122 2HB SER 122 4.664 -4.123 -0.243 750 HG SER 122 HG SER 122 6.284 -3.099 -1.383 751 H THR 123 H THR 123 2.485 -4.567 1.103 752 HA THR 123 HA THR 123 3.067 -4.244 4.010 753 HB THR 123 HB THR 123 0.832 -5.160 4.520 754 HG1 THR 123 1HG THR 123 0.581 -6.230 2.599 755 HG21 THR 123 3HG2 THR 123 1.053 -2.677 4.413 756 HG22 THR 123 1HG2 THR 123 -0.577 -3.255 3.992 757 HG23 THR 123 2HG2 THR 123 0.533 -2.737 2.708 758 H LYS 124 H LYS 124 4.870 -5.624 2.461 759 HA LYS 124 HA LYS 124 4.594 -8.203 3.871 760 HB3 LYS 124 2HB LYS 124 3.822 -8.729 1.679 761 HG3 LYS 124 2HG LYS 124 5.829 -6.734 0.873 762 HD3 LYS 124 2HD LYS 124 7.167 -8.775 0.593 763 HE3 LYS 124 2HE LYS 124 5.100 -10.227 -0.031 764 HZ1 LYS 124 3HZ LYS 124 5.024 -10.589 -2.422 765 HZ2 LYS 124 1HZ LYS 124 6.077 -9.383 -2.697 766 HZ3 LYS 124 2HZ LYS 124 4.596 -9.016 -2.129 767 H GLU 125 H GLU 125 5.907 -6.722 5.005 768 HA GLU 125 HA GLU 125 8.759 -7.414 4.782 769 HB3 GLU 125 2HB GLU 125 9.525 -5.048 5.249 770 HG3 GLU 125 2HG GLU 125 8.081 -5.212 2.586 771 H ILE 126 H ILE 126 9.406 -8.005 6.768 772 HA ILE 126 HA ILE 126 10.095 -7.837 8.886 773 HB ILE 126 HB ILE 126 8.393 -5.346 9.149 774 HG13 ILE 126 2HG1 ILE 126 10.221 -5.174 7.405 775 HG21 ILE 126 1HG2 ILE 126 8.971 -6.445 11.335 776 HG22 ILE 126 2HG2 ILE 126 10.690 -6.301 10.919 777 HG23 ILE 126 3HG2 ILE 126 9.658 -4.856 11.139 778 HD11 ILE 126 3HD1 ILE 126 10.879 -3.460 9.806 779 HD12 ILE 126 1HD1 ILE 126 11.187 -3.124 8.098 780 HD13 ILE 126 2HD1 ILE 126 9.517 -3.161 8.699
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