NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
614265 | 1st7 | 6188 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H VAL 1 1H VAL 1 -12.048 11.411 -2.223 2 2H VAL 1 2H VAL 1 -10.690 10.595 -2.774 3 3H VAL 1 3H VAL 1 -10.747 12.260 -2.859 4 HA VAL 1 HA VAL 1 -9.488 12.173 -1.090 5 HB VAL 1 HB VAL 1 -10.683 12.542 0.951 6 1HG1 VAL 1 1HG1 VAL 1 -10.614 14.293 -0.840 7 2HG1 VAL 1 2HG1 VAL 1 -12.099 14.365 0.166 8 3HG1 VAL 1 3HG1 VAL 1 -12.190 13.688 -1.488 9 1HG2 VAL 1 1HG2 VAL 1 -12.348 10.657 0.874 10 2HG2 VAL 1 2HG2 VAL 1 -13.177 11.442 -0.522 11 3HG2 VAL 1 3HG2 VAL 1 -13.147 12.252 1.064 12 H SER 2 H SER 2 -8.490 11.247 0.767 13 HA SER 2 HA SER 2 -8.071 8.558 0.610 14 1HB SER 2 1HB SER 2 -7.269 10.748 2.564 15 2HB SER 2 2HB SER 2 -6.649 9.068 2.730 16 HG SER 2 HG SER 2 -6.283 10.726 0.433 17 H GLN 3 H GLN 3 -10.779 9.809 1.915 18 HA GLN 3 HA GLN 3 -10.828 8.420 4.373 19 1HB GLN 3 1HB GLN 3 -12.343 10.372 3.704 20 2HB GLN 3 2HB GLN 3 -13.263 9.239 2.693 21 1HG GLN 3 1HG GLN 3 -14.439 9.494 4.789 22 2HG GLN 3 2HG GLN 3 -13.738 7.842 4.807 23 1HE2 GLN 3 1HE2 GLN 3 -12.775 7.346 6.794 24 2HE2 GLN 3 2HE2 GLN 3 -12.250 8.537 7.938 25 H LEU 4 H LEU 4 -12.149 7.703 1.145 26 HA LEU 4 HA LEU 4 -13.161 5.133 1.764 27 1HB LEU 4 1HB LEU 4 -12.897 4.899 -0.855 28 2HB LEU 4 2HB LEU 4 -14.198 5.957 -0.148 29 HG LEU 4 HG LEU 4 -11.473 6.984 -0.809 30 1HD1 LEU 4 1HD1 LEU 4 -13.759 6.788 -2.891 31 2HD1 LEU 4 2HD1 LEU 4 -12.308 5.725 -2.841 32 3HD1 LEU 4 3HD1 LEU 4 -12.131 7.502 -3.179 33 1HD2 LEU 4 1HD2 LEU 4 -14.344 8.233 -1.065 34 2HD2 LEU 4 2HD2 LEU 4 -12.838 9.133 -1.425 35 3HD2 LEU 4 3HD2 LEU 4 -13.216 8.636 0.266 36 H PHE 5 H PHE 5 -10.088 6.432 0.718 37 HA PHE 5 HA PHE 5 -8.812 4.060 0.012 38 1HB PHE 5 1HB PHE 5 -7.830 6.245 -0.471 39 2HB PHE 5 2HB PHE 5 -7.953 6.701 1.278 40 HD1 PHE 5 HD1 PHE 5 -6.140 4.562 -1.085 41 HD2 PHE 5 HD2 PHE 5 -6.329 6.225 2.813 42 HE1 PHE 5 HE1 PHE 5 -3.929 3.624 -0.595 43 HE2 PHE 5 HE2 PHE 5 -4.141 5.278 3.349 44 HZ PHE 5 HZ PHE 5 -2.982 3.893 1.704 45 H GLU 6 H GLU 6 -9.183 5.600 3.271 46 HA GLU 6 HA GLU 6 -7.941 3.284 4.428 47 1HB GLU 6 1HB GLU 6 -9.221 5.641 5.855 48 2HB GLU 6 2HB GLU 6 -8.288 4.293 6.595 49 1HG GLU 6 1HG GLU 6 -6.385 4.919 4.914 50 2HG GLU 6 2HG GLU 6 -7.284 6.468 4.686 51 H GLU 7 H GLU 7 -11.175 3.995 3.504 52 HA GLU 7 HA GLU 7 -12.426 2.119 5.242 53 1HB GLU 7 1HB GLU 7 -13.054 2.915 2.328 54 2HB GLU 7 2HB GLU 7 -14.098 1.843 3.309 55 1HG GLU 7 1HG GLU 7 -13.309 4.713 3.970 56 2HG GLU 7 2HG GLU 7 -14.822 4.240 3.106 57 H LYS 8 H LYS 8 -11.314 1.921 1.945 58 HA LYS 8 HA LYS 8 -11.744 -0.878 1.745 59 1HB LYS 8 1HB LYS 8 -10.706 1.340 -0.052 60 2HB LYS 8 2HB LYS 8 -10.842 -0.343 -0.647 61 1HG LYS 8 1HG LYS 8 -13.241 -0.392 -0.324 62 2HG LYS 8 2HG LYS 8 -13.216 1.122 0.620 63 1HD LYS 8 1HD LYS 8 -12.350 2.358 -1.340 64 2HD LYS 8 2HD LYS 8 -12.579 0.919 -2.384 65 1HE LYS 8 1HE LYS 8 -14.831 2.286 -0.738 66 2HE LYS 8 2HE LYS 8 -14.459 2.696 -2.452 67 1HZ LYS 8 1HZ LYS 8 -15.189 -0.060 -1.567 68 2HZ LYS 8 2HZ LYS 8 -15.063 0.535 -3.140 69 3HZ LYS 8 3HZ LYS 8 -16.276 1.103 -2.130 70 H ALA 9 H ALA 9 -8.693 1.072 2.123 71 HA ALA 9 HA ALA 9 -7.101 -0.959 1.223 72 1HB ALA 9 1HB ALA 9 -5.263 0.355 2.174 73 2HB ALA 9 2HB ALA 9 -6.408 1.333 3.192 74 3HB ALA 9 3HB ALA 9 -6.423 1.491 1.407 75 H LYS 10 H LYS 10 -8.172 -0.009 4.405 76 HA LYS 10 HA LYS 10 -6.575 -1.700 5.968 77 1HB LYS 10 1HB LYS 10 -9.212 -0.219 6.178 78 2HB LYS 10 2HB LYS 10 -8.566 -1.115 7.617 79 1HG LYS 10 1HG LYS 10 -6.966 1.093 6.152 80 2HG LYS 10 2HG LYS 10 -8.218 1.452 7.358 81 1HD LYS 10 1HD LYS 10 -6.185 1.584 8.465 82 2HD LYS 10 2HD LYS 10 -7.040 0.144 9.097 83 1HE LYS 10 1HE LYS 10 -5.496 -1.375 7.931 84 2HE LYS 10 2HE LYS 10 -4.802 -0.008 6.965 85 1HZ LYS 10 1HZ LYS 10 -3.963 0.953 8.973 86 2HZ LYS 10 2HZ LYS 10 -3.411 -0.637 8.836 87 3HZ LYS 10 3HZ LYS 10 -4.658 -0.276 9.928 88 H ALA 11 H ALA 11 -9.402 -2.419 4.032 89 HA ALA 11 HA ALA 11 -9.892 -4.890 5.438 90 1HB ALA 11 1HB ALA 11 -11.770 -3.660 4.279 91 2HB ALA 11 2HB ALA 11 -11.522 -5.298 3.573 92 3HB ALA 11 3HB ALA 11 -10.906 -3.841 2.713 93 H VAL 12 H VAL 12 -8.373 -3.944 2.241 94 HA VAL 12 HA VAL 12 -7.927 -6.600 1.614 95 HB VAL 12 HB VAL 12 -6.557 -5.729 -0.245 96 1HG1 VAL 12 1HG1 VAL 12 -9.005 -6.111 -0.320 97 2HG1 VAL 12 2HG1 VAL 12 -8.427 -4.776 -1.376 98 3HG1 VAL 12 3HG1 VAL 12 -9.278 -4.394 0.173 99 1HG2 VAL 12 1HG2 VAL 12 -6.425 -3.276 -0.581 100 2HG2 VAL 12 2HG2 VAL 12 -5.610 -3.655 0.967 101 3HG2 VAL 12 3HG2 VAL 12 -7.280 -2.976 0.958 102 H ASN 13 H ASN 13 -6.110 -4.486 3.679 103 HA ASN 13 HA ASN 13 -3.735 -6.043 3.486 104 1HB ASN 13 1HB ASN 13 -4.833 -3.975 5.465 105 2HB ASN 13 2HB ASN 13 -3.406 -4.953 5.930 106 1HD2 ASN 13 1HD2 ASN 13 -4.523 -2.537 3.503 107 2HD2 ASN 13 2HD2 ASN 13 -2.890 -2.014 3.153 108 H GLU 14 H GLU 14 -6.724 -6.795 4.940 109 HA GLU 14 HA GLU 14 -5.429 -9.011 6.330 110 1HB GLU 14 1HB GLU 14 -6.555 -8.624 8.433 111 2HB GLU 14 2HB GLU 14 -5.441 -7.286 8.032 112 1HG GLU 14 1HG GLU 14 -7.225 -5.776 7.490 113 2HG GLU 14 2HG GLU 14 -8.482 -7.067 7.534 114 H LEU 15 H LEU 15 -7.281 -8.614 3.984 115 HA LEU 15 HA LEU 15 -9.706 -9.759 4.683 116 1HB LEU 15 1HB LEU 15 -8.449 -8.482 2.572 117 2HB LEU 15 2HB LEU 15 -8.473 -10.131 1.932 118 HG LEU 15 HG LEU 15 -10.867 -10.125 1.771 119 1HD1 LEU 15 1HD1 LEU 15 -10.907 -7.578 3.522 120 2HD1 LEU 15 2HD1 LEU 15 -11.608 -9.182 3.955 121 3HD1 LEU 15 3HD1 LEU 15 -12.318 -8.228 2.611 122 1HD2 LEU 15 1HD2 LEU 15 -9.507 -8.617 0.187 123 2HD2 LEU 15 2HD2 LEU 15 -10.138 -7.225 1.147 124 3HD2 LEU 15 3HD2 LEU 15 -11.287 -8.319 0.281 125 HA PRO 16 HA PRO 16 -8.362 -13.844 5.175 126 1HB PRO 16 1HB PRO 16 -10.448 -15.455 4.442 127 2HB PRO 16 2HB PRO 16 -10.614 -14.231 5.778 128 1HG PRO 16 1HG PRO 16 -11.517 -13.911 2.856 129 2HG PRO 16 2HG PRO 16 -12.457 -13.564 4.369 130 1HD PRO 16 1HD PRO 16 -10.935 -11.695 2.902 131 2HD PRO 16 2HD PRO 16 -11.263 -11.494 4.701 132 H THR 17 H THR 17 -9.320 -12.868 2.017 133 HA THR 17 HA THR 17 -7.662 -14.916 0.717 134 HB THR 17 HB THR 17 -9.366 -12.794 -0.620 135 HG1 THR 17 HG1 THR 17 -10.960 -13.719 0.136 136 1HG2 THR 17 1HG2 THR 17 -7.678 -14.132 -2.005 137 2HG2 THR 17 2HG2 THR 17 -9.383 -14.341 -2.506 138 3HG2 THR 17 3HG2 THR 17 -8.565 -15.646 -1.552 139 H LYS 18 H LYS 18 -5.952 -13.712 1.950 140 HA LYS 18 HA LYS 18 -5.457 -11.119 1.645 141 1HB LYS 18 1HB LYS 18 -3.405 -13.364 1.942 142 2HB LYS 18 2HB LYS 18 -3.010 -11.632 2.148 143 1HG LYS 18 1HG LYS 18 -4.897 -11.523 3.899 144 2HG LYS 18 2HG LYS 18 -4.898 -13.315 3.877 145 1HD LYS 18 1HD LYS 18 -2.394 -13.241 4.395 146 2HD LYS 18 2HD LYS 18 -2.506 -11.452 4.437 147 1HE LYS 18 1HE LYS 18 -4.267 -11.711 6.323 148 2HE LYS 18 2HE LYS 18 -3.825 -13.469 6.380 149 1HZ LYS 18 1HZ LYS 18 -2.531 -12.314 7.952 150 2HZ LYS 18 2HZ LYS 18 -2.075 -11.111 6.846 151 3HZ LYS 18 3HZ LYS 18 -1.480 -12.700 6.689 152 HA PRO 19 HA PRO 19 -4.581 -10.097 -2.233 153 1HB PRO 19 1HB PRO 19 -2.065 -8.606 -1.378 154 2HB PRO 19 2HB PRO 19 -3.382 -8.045 -2.486 155 1HG PRO 19 1HG PRO 19 -3.429 -7.274 0.185 156 2HG PRO 19 2HG PRO 19 -4.956 -7.865 -0.573 157 1HD PRO 19 1HD PRO 19 -3.010 -9.422 1.189 158 2HD PRO 19 2HD PRO 19 -4.836 -9.342 1.174 159 H SER 20 H SER 20 -3.709 -10.829 -4.181 160 HA SER 20 HA SER 20 -1.783 -12.857 -4.029 161 1HB SER 20 1HB SER 20 -3.106 -11.528 -6.426 162 2HB SER 20 2HB SER 20 -2.098 -13.020 -6.519 163 HG SER 20 HG SER 20 -4.553 -13.017 -6.224 164 H THR 21 H THR 21 0.081 -13.055 -5.493 165 HA THR 21 HA THR 21 1.866 -11.437 -4.399 166 HB THR 21 HB THR 21 2.177 -13.718 -5.150 167 HG1 THR 21 HG1 THR 21 4.325 -13.434 -5.649 168 1HG2 THR 21 1HG2 THR 21 2.944 -12.486 -7.881 169 2HG2 THR 21 2HG2 THR 21 1.427 -13.419 -7.573 170 3HG2 THR 21 3HG2 THR 21 3.034 -14.206 -7.392 171 H ASP 22 H ASP 22 0.927 -10.969 -7.863 172 HA ASP 22 HA ASP 22 2.789 -8.765 -7.943 173 1HB ASP 22 1HB ASP 22 2.189 -8.602 -10.319 174 2HB ASP 22 2HB ASP 22 2.842 -10.198 -9.829 175 H GLU 23 H GLU 23 -0.544 -9.232 -7.286 176 HA GLU 23 HA GLU 23 -1.334 -6.536 -7.747 177 1HB GLU 23 1HB GLU 23 -2.517 -8.941 -6.331 178 2HB GLU 23 2HB GLU 23 -3.333 -7.351 -6.265 179 1HG GLU 23 1HG GLU 23 -3.931 -7.336 -8.510 180 2HG GLU 23 2HG GLU 23 -2.482 -8.257 -9.005 181 H LEU 24 H LEU 24 -0.163 -8.350 -4.902 182 HA LEU 24 HA LEU 24 -0.383 -6.601 -2.932 183 1HB LEU 24 1HB LEU 24 0.430 -8.993 -2.977 184 2HB LEU 24 2HB LEU 24 1.968 -8.428 -3.683 185 HG LEU 24 HG LEU 24 2.373 -7.096 -1.531 186 1HD1 LEU 24 1HD1 LEU 24 -0.030 -6.919 -0.783 187 2HD1 LEU 24 2HD1 LEU 24 0.993 -7.725 0.473 188 3HD1 LEU 24 3HD1 LEU 24 -0.084 -8.713 -0.592 189 1HD2 LEU 24 1HD2 LEU 24 1.908 -10.138 -1.308 190 2HD2 LEU 24 2HD2 LEU 24 2.987 -9.159 -0.234 191 3HD2 LEU 24 3HD2 LEU 24 3.369 -9.347 -1.995 192 H LEU 25 H LEU 25 2.327 -6.459 -5.454 193 HA LEU 25 HA LEU 25 3.874 -4.598 -4.253 194 1HB LEU 25 1HB LEU 25 4.295 -6.285 -5.961 195 2HB LEU 25 2HB LEU 25 2.936 -5.663 -6.976 196 HG LEU 25 HG LEU 25 5.211 -5.476 -7.725 197 1HD1 LEU 25 1HD1 LEU 25 4.720 -3.450 -9.078 198 2HD1 LEU 25 2HD1 LEU 25 3.572 -2.859 -7.817 199 3HD1 LEU 25 3HD1 LEU 25 3.203 -4.373 -8.710 200 1HD2 LEU 25 1HD2 LEU 25 6.592 -3.415 -7.138 201 2HD2 LEU 25 2HD2 LEU 25 6.337 -4.492 -5.709 202 3HD2 LEU 25 3HD2 LEU 25 5.371 -2.976 -5.884 203 H GLU 26 H GLU 26 1.220 -4.244 -6.659 204 HA GLU 26 HA GLU 26 1.355 -1.445 -6.783 205 1HB GLU 26 1HB GLU 26 -0.964 -3.365 -7.346 206 2HB GLU 26 2HB GLU 26 -0.946 -1.617 -7.758 207 1HG GLU 26 1HG GLU 26 1.107 -2.042 -9.206 208 2HG GLU 26 2HG GLU 26 0.887 -3.806 -8.929 209 H LEU 27 H LEU 27 -0.718 -3.678 -4.832 210 HA LEU 27 HA LEU 27 -1.931 -1.503 -3.533 211 1HB LEU 27 1HB LEU 27 -1.769 -4.443 -2.780 212 2HB LEU 27 2HB LEU 27 -2.544 -3.205 -1.738 213 HG LEU 27 HG LEU 27 -3.550 -4.150 -4.466 214 1HD1 LEU 27 1HD1 LEU 27 -4.616 -4.018 -1.582 215 2HD1 LEU 27 2HD1 LEU 27 -4.108 -5.495 -2.479 216 3HD1 LEU 27 3HD1 LEU 27 -5.568 -4.566 -3.009 217 1HD2 LEU 27 1HD2 LEU 27 -4.453 -1.670 -2.901 218 2HD2 LEU 27 2HD2 LEU 27 -5.317 -2.451 -4.282 219 3HD2 LEU 27 3HD2 LEU 27 -3.715 -1.701 -4.557 220 H TYR 28 H TYR 28 1.080 -3.204 -2.529 221 HA TYR 28 HA TYR 28 1.358 -1.662 -0.238 222 1HB TYR 28 1HB TYR 28 2.825 -3.517 -0.512 223 2HB TYR 28 2HB TYR 28 3.450 -2.888 -2.076 224 HD1 TYR 28 HD1 TYR 28 3.896 -2.914 1.510 225 HD2 TYR 28 HD2 TYR 28 4.833 -0.795 -2.056 226 HE1 TYR 28 HE1 TYR 28 5.798 -1.871 2.615 227 HE2 TYR 28 HE2 TYR 28 6.546 0.437 -0.890 228 HH TYR 28 HH TYR 28 7.550 -0.388 2.425 229 H ALA 29 H ALA 29 2.659 -0.910 -3.573 230 HA ALA 29 HA ALA 29 3.804 1.419 -2.881 231 1HB ALA 29 1HB ALA 29 2.353 0.687 -5.492 232 2HB ALA 29 2HB ALA 29 4.050 0.280 -5.074 233 3HB ALA 29 3HB ALA 29 3.586 1.999 -5.322 234 H LEU 30 H LEU 30 0.434 1.084 -4.007 235 HA LEU 30 HA LEU 30 -0.123 3.824 -3.700 236 1HB LEU 30 1HB LEU 30 -1.785 1.275 -4.103 237 2HB LEU 30 2HB LEU 30 -2.515 2.907 -3.943 238 HG LEU 30 HG LEU 30 -2.522 2.394 -6.116 239 1HD1 LEU 30 1HD1 LEU 30 -0.253 4.389 -6.239 240 2HD1 LEU 30 2HD1 LEU 30 -1.743 4.720 -5.248 241 3HD1 LEU 30 3HD1 LEU 30 -1.907 4.371 -7.013 242 1HD2 LEU 30 1HD2 LEU 30 -0.606 2.167 -7.696 243 2HD2 LEU 30 2HD2 LEU 30 -0.816 0.741 -6.626 244 3HD2 LEU 30 3HD2 LEU 30 0.516 1.938 -6.299 245 H TYR 31 H TYR 31 -0.750 0.996 -1.569 246 HA TYR 31 HA TYR 31 -2.354 2.366 0.248 247 1HB TYR 31 1HB TYR 31 -2.339 -0.015 0.311 248 2HB TYR 31 2HB TYR 31 -0.578 -0.039 0.658 249 HD1 TYR 31 HD1 TYR 31 -3.664 1.671 2.134 250 HD2 TYR 31 HD2 TYR 31 0.040 -0.329 2.758 251 HE1 TYR 31 HE1 TYR 31 -4.122 1.631 4.471 252 HE2 TYR 31 HE2 TYR 31 -0.289 -0.163 5.156 253 HH TYR 31 HH TYR 31 -1.576 0.611 6.797 254 H LYS 32 H LYS 32 1.221 1.690 0.333 255 HA LYS 32 HA LYS 32 1.678 3.275 2.569 256 1HB LYS 32 1HB LYS 32 3.523 2.423 0.284 257 2HB LYS 32 2HB LYS 32 4.113 3.199 1.763 258 1HG LYS 32 1HG LYS 32 2.697 0.476 1.541 259 2HG LYS 32 2HG LYS 32 4.410 0.821 1.886 260 1HD LYS 32 1HD LYS 32 2.004 1.315 3.729 261 2HD LYS 32 2HD LYS 32 3.361 0.164 3.915 262 1HE LYS 32 1HE LYS 32 4.945 2.179 3.973 263 2HE LYS 32 2HE LYS 32 3.482 3.257 4.073 264 1HZ LYS 32 1HZ LYS 32 2.969 2.349 6.217 265 2HZ LYS 32 2HZ LYS 32 4.630 2.625 6.188 266 3HZ LYS 32 3HZ LYS 32 4.016 1.060 6.013 267 H GLN 33 H GLN 33 1.630 4.187 -0.849 268 HA GLN 33 HA GLN 33 2.401 6.785 -0.702 269 1HB GLN 33 1HB GLN 33 0.306 5.341 -2.366 270 2HB GLN 33 2HB GLN 33 0.340 7.125 -2.416 271 1HG GLN 33 1HG GLN 33 2.486 7.262 -3.270 272 2HG GLN 33 2HG GLN 33 2.831 5.509 -2.906 273 1HE2 GLN 33 1HE2 GLN 33 2.952 4.437 -4.861 274 2HE2 GLN 33 2HE2 GLN 33 1.929 4.727 -6.249 275 H ALA 34 H ALA 34 -1.056 5.811 -0.246 276 HA ALA 34 HA ALA 34 -1.463 8.565 0.617 277 1HB ALA 34 1HB ALA 34 -3.244 8.085 -0.721 278 2HB ALA 34 2HB ALA 34 -3.943 7.761 0.883 279 3HB ALA 34 3HB ALA 34 -3.371 6.384 -0.150 280 H THR 35 H THR 35 -0.950 5.488 2.245 281 HA THR 35 HA THR 35 -2.128 6.199 4.609 282 HB THR 35 HB THR 35 0.240 4.397 4.119 283 HG1 THR 35 HG1 THR 35 -1.549 3.594 3.257 284 1HG2 THR 35 1HG2 THR 35 0.225 5.082 6.524 285 2HG2 THR 35 2HG2 THR 35 -0.540 3.449 6.362 286 3HG2 THR 35 3HG2 THR 35 -1.583 4.908 6.575 287 H VAL 36 H VAL 36 1.472 6.496 3.820 288 HA VAL 36 HA VAL 36 1.603 8.349 6.051 289 HB VAL 36 HB VAL 36 4.026 8.319 5.681 290 1HG1 VAL 36 1HG1 VAL 36 2.583 5.661 6.322 291 2HG1 VAL 36 2HG1 VAL 36 2.835 7.030 7.470 292 3HG1 VAL 36 3HG1 VAL 36 4.250 6.125 6.819 293 1HG2 VAL 36 1HG2 VAL 36 4.976 6.482 4.355 294 2HG2 VAL 36 2HG2 VAL 36 3.900 7.414 3.257 295 3HG2 VAL 36 3HG2 VAL 36 3.370 5.832 3.938 296 H GLY 37 H GLY 37 1.551 8.489 2.508 297 1HA GLY 37 1HA GLY 37 1.041 10.272 1.378 298 2HA GLY 37 2HA GLY 37 1.321 11.327 2.806 299 H ASP 38 H ASP 38 4.127 9.705 2.654 300 HA ASP 38 HA ASP 38 5.311 11.216 0.451 301 1HB ASP 38 1HB ASP 38 6.056 11.361 3.458 302 2HB ASP 38 2HB ASP 38 7.143 11.945 2.148 303 H ASN 39 H ASN 39 7.437 10.186 -0.151 304 HA ASN 39 HA ASN 39 8.098 7.792 0.867 305 1HB ASN 39 1HB ASN 39 10.413 8.108 0.240 306 2HB ASN 39 2HB ASN 39 9.268 8.615 -1.033 307 1HD2 ASN 39 1HD2 ASN 39 12.202 9.467 -0.064 308 2HD2 ASN 39 2HD2 ASN 39 12.086 11.202 -0.126 309 H ASP 40 H ASP 40 8.443 6.982 2.709 310 HA ASP 40 HA ASP 40 9.076 8.743 4.966 311 1HB ASP 40 1HB ASP 40 6.778 7.836 4.778 312 2HB ASP 40 2HB ASP 40 7.404 6.173 4.695 313 H LYS 41 H LYS 41 9.248 5.202 4.535 314 HA LYS 41 HA LYS 41 11.640 5.192 6.185 315 1HB LYS 41 1HB LYS 41 9.942 2.944 4.988 316 2HB LYS 41 2HB LYS 41 11.310 2.698 6.102 317 1HG LYS 41 1HG LYS 41 8.677 4.127 6.799 318 2HG LYS 41 2HG LYS 41 9.145 2.446 7.157 319 1HD LYS 41 1HD LYS 41 9.693 3.383 9.192 320 2HD LYS 41 2HD LYS 41 11.246 3.465 8.339 321 1HE LYS 41 1HE LYS 41 11.118 5.582 9.356 322 2HE LYS 41 2HE LYS 41 10.496 5.949 7.695 323 1HZ LYS 41 1HZ LYS 41 8.276 5.859 8.520 324 2HZ LYS 41 2HZ LYS 41 9.199 6.919 9.441 325 3HZ LYS 41 3HZ LYS 41 8.812 5.403 10.086 326 H GLU 42 H GLU 42 13.042 6.219 4.644 327 HA GLU 42 HA GLU 42 13.736 4.789 2.289 328 1HB GLU 42 1HB GLU 42 13.748 7.282 2.622 329 2HB GLU 42 2HB GLU 42 15.198 7.092 3.646 330 1HG GLU 42 1HG GLU 42 16.400 6.045 1.646 331 2HG GLU 42 2HG GLU 42 14.922 6.288 0.657 332 H LYS 43 H LYS 43 13.900 2.927 4.095 333 HA LYS 43 HA LYS 43 16.392 2.009 3.288 334 1HB LYS 43 1HB LYS 43 17.182 3.092 5.416 335 2HB LYS 43 2HB LYS 43 16.189 1.927 6.327 336 1HG LYS 43 1HG LYS 43 17.424 0.040 5.215 337 2HG LYS 43 2HG LYS 43 18.402 1.206 4.286 338 1HD LYS 43 1HD LYS 43 18.329 0.892 7.355 339 2HD LYS 43 2HD LYS 43 19.563 0.199 6.277 340 1HE LYS 43 1HE LYS 43 19.113 3.199 6.856 341 2HE LYS 43 2HE LYS 43 20.493 2.153 7.360 342 1HZ LYS 43 1HZ LYS 43 20.710 1.806 4.788 343 2HZ LYS 43 2HZ LYS 43 21.319 3.190 5.531 344 3HZ LYS 43 3HZ LYS 43 19.870 3.280 4.715 345 HA PRO 44 HA PRO 44 13.536 -1.431 3.794 346 1HB PRO 44 1HB PRO 44 13.694 -2.348 1.200 347 2HB PRO 44 2HB PRO 44 12.514 -1.073 1.708 348 1HG PRO 44 1HG PRO 44 15.293 -0.610 0.466 349 2HG PRO 44 2HG PRO 44 13.709 0.060 -0.116 350 1HD PRO 44 1HD PRO 44 15.357 1.496 1.543 351 2HD PRO 44 2HD PRO 44 13.552 1.527 1.811 352 H GLY 45 H GLY 45 14.470 -3.675 3.745 353 1HA GLY 45 1HA GLY 45 16.990 -3.251 4.864 354 2HA GLY 45 2HA GLY 45 16.066 -4.769 4.744 355 H ILE 46 H ILE 46 18.248 -5.681 4.684 356 HA ILE 46 HA ILE 46 19.974 -4.634 2.617 357 HB ILE 46 HB ILE 46 21.796 -5.635 3.733 358 1HG1 ILE 46 1HG1 ILE 46 19.713 -6.894 5.607 359 2HG1 ILE 46 2HG1 ILE 46 20.930 -7.725 4.576 360 1HG2 ILE 46 1HG2 ILE 46 20.771 -3.395 4.389 361 2HG2 ILE 46 2HG2 ILE 46 21.701 -4.193 5.700 362 3HG2 ILE 46 3HG2 ILE 46 19.908 -4.245 5.732 363 1HD1 ILE 46 1HD1 ILE 46 22.765 -6.687 5.946 364 2HD1 ILE 46 2HD1 ILE 46 21.691 -7.787 6.881 365 3HD1 ILE 46 3HD1 ILE 46 21.517 -6.006 7.064 366 H PHE 47 H PHE 47 18.894 -7.826 3.707 367 HA PHE 47 HA PHE 47 19.425 -9.010 1.118 368 1HB PHE 47 1HB PHE 47 18.393 -11.070 2.367 369 2HB PHE 47 2HB PHE 47 19.983 -10.453 2.894 370 HD1 PHE 47 HD1 PHE 47 16.333 -10.050 3.703 371 HD2 PHE 47 HD2 PHE 47 20.354 -9.992 5.068 372 HE1 PHE 47 HE1 PHE 47 15.557 -9.540 5.963 373 HE2 PHE 47 HE2 PHE 47 19.584 -9.488 7.332 374 HZ PHE 47 HZ PHE 47 17.187 -9.215 7.779 375 H ASN 48 H ASN 48 17.201 -6.890 2.195 376 HA ASN 48 HA ASN 48 14.889 -8.433 1.778 377 1HB ASN 48 1HB ASN 48 15.465 -6.422 3.468 378 2HB ASN 48 2HB ASN 48 14.454 -5.531 2.254 379 1HD2 ASN 48 1HD2 ASN 48 14.132 -7.006 5.151 380 2HD2 ASN 48 2HD2 ASN 48 12.670 -7.924 4.928 381 H MET 49 H MET 49 15.755 -8.752 -0.555 382 HA MET 49 HA MET 49 15.576 -6.791 -2.454 383 1HB MET 49 1HB MET 49 15.663 -8.572 -4.104 384 2HB MET 49 2HB MET 49 16.763 -8.886 -2.746 385 1HG MET 49 1HG MET 49 15.898 -10.971 -3.064 386 2HG MET 49 2HG MET 49 14.837 -10.389 -1.762 387 1HE MET 49 1HE MET 49 12.280 -12.558 -3.388 388 2HE MET 49 2HE MET 49 12.805 -11.717 -1.890 389 3HE MET 49 3HE MET 49 13.957 -12.774 -2.777 390 H LYS 50 H LYS 50 13.014 -8.776 -1.151 391 HA LYS 50 HA LYS 50 11.019 -8.105 -2.979 392 1HB LYS 50 1HB LYS 50 9.470 -8.902 -1.222 393 2HB LYS 50 2HB LYS 50 10.828 -10.027 -1.542 394 1HG LYS 50 1HG LYS 50 11.971 -9.388 0.515 395 2HG LYS 50 2HG LYS 50 10.762 -8.101 0.831 396 1HD LYS 50 1HD LYS 50 8.956 -9.785 1.062 397 2HD LYS 50 2HD LYS 50 10.160 -11.084 0.809 398 1HE LYS 50 1HE LYS 50 9.803 -10.844 3.220 399 2HE LYS 50 2HE LYS 50 11.459 -10.252 2.818 400 1HZ LYS 50 1HZ LYS 50 10.345 -7.938 2.781 401 2HZ LYS 50 2HZ LYS 50 10.575 -8.717 4.258 402 3HZ LYS 50 3HZ LYS 50 9.055 -8.679 3.555 403 H ASP 51 H ASP 51 11.780 -6.662 0.222 404 HA ASP 51 HA ASP 51 9.856 -4.666 0.015 405 1HB ASP 51 1HB ASP 51 12.386 -4.937 1.729 406 2HB ASP 51 2HB ASP 51 11.169 -3.625 1.945 407 H ARG 52 H ARG 52 13.338 -4.667 -0.842 408 HA ARG 52 HA ARG 52 13.492 -2.029 -1.590 409 1HB ARG 52 1HB ARG 52 14.902 -4.508 -2.643 410 2HB ARG 52 2HB ARG 52 15.312 -2.855 -3.198 411 1HG ARG 52 1HG ARG 52 15.824 -2.161 -0.874 412 2HG ARG 52 2HG ARG 52 15.544 -3.838 -0.295 413 1HD ARG 52 1HD ARG 52 17.407 -4.647 -1.812 414 2HD ARG 52 2HD ARG 52 17.588 -2.941 -2.419 415 HE ARG 52 HE ARG 52 17.860 -3.433 0.543 416 1HH1 ARG 52 1HH1 ARG 52 19.629 -3.309 -2.520 417 2HH1 ARG 52 2HH1 ARG 52 21.124 -2.894 -1.733 418 1HH2 ARG 52 1HH2 ARG 52 19.749 -2.418 1.448 419 2HH2 ARG 52 2HH2 ARG 52 21.108 -2.146 0.446 420 H TYR 53 H TYR 53 12.135 -4.706 -3.572 421 HA TYR 53 HA TYR 53 11.857 -2.997 -5.830 422 1HB TYR 53 1HB TYR 53 10.721 -5.731 -5.030 423 2HB TYR 53 2HB TYR 53 10.114 -4.883 -6.491 424 HD1 TYR 53 HD1 TYR 53 12.300 -3.696 -7.790 425 HD2 TYR 53 HD2 TYR 53 12.078 -7.435 -5.776 426 HE1 TYR 53 HE1 TYR 53 14.066 -4.549 -9.202 427 HE2 TYR 53 HE2 TYR 53 13.822 -8.323 -7.243 428 HH TYR 53 HH TYR 53 15.167 -6.305 -9.867 429 H LYS 54 H LYS 54 9.615 -4.050 -3.273 430 HA LYS 54 HA LYS 54 7.398 -2.643 -4.175 431 1HB LYS 54 1HB LYS 54 8.347 -3.767 -1.523 432 2HB LYS 54 2HB LYS 54 6.960 -2.657 -1.521 433 1HG LYS 54 1HG LYS 54 5.961 -4.714 -1.573 434 2HG LYS 54 2HG LYS 54 5.814 -4.119 -3.253 435 1HD LYS 54 1HD LYS 54 7.747 -5.617 -3.907 436 2HD LYS 54 2HD LYS 54 7.914 -6.102 -2.185 437 1HE LYS 54 1HE LYS 54 5.616 -7.128 -2.230 438 2HE LYS 54 2HE LYS 54 5.478 -6.683 -3.978 439 1HZ LYS 54 1HZ LYS 54 7.011 -8.831 -2.730 440 2HZ LYS 54 2HZ LYS 54 7.811 -8.019 -3.979 441 3HZ LYS 54 3HZ LYS 54 6.308 -8.707 -4.229 442 H TRP 55 H TRP 55 9.975 -1.591 -1.931 443 HA TRP 55 HA TRP 55 8.894 0.907 -1.476 444 1HB TRP 55 1HB TRP 55 10.651 -0.442 -0.168 445 2HB TRP 55 2HB TRP 55 11.863 0.210 -1.317 446 HD1 TRP 55 HD1 TRP 55 9.686 1.166 1.786 447 HE1 TRP 55 HE1 TRP 55 9.623 3.716 1.982 448 HE3 TRP 55 HE3 TRP 55 12.853 2.438 -2.002 449 HZ2 TRP 55 HZ2 TRP 55 11.274 5.826 1.259 450 HZ3 TRP 55 HZ3 TRP 55 13.582 4.765 -2.168 451 HH2 TRP 55 HH2 TRP 55 12.856 6.438 -0.566 452 H GLU 56 H GLU 56 10.887 -0.240 -4.153 453 HA GLU 56 HA GLU 56 11.601 2.336 -5.095 454 1HB GLU 56 1HB GLU 56 12.870 0.266 -5.588 455 2HB GLU 56 2HB GLU 56 11.489 -0.377 -6.517 456 1HG GLU 56 1HG GLU 56 11.725 1.510 -8.171 457 2HG GLU 56 2HG GLU 56 13.040 2.222 -7.170 458 H ALA 57 H ALA 57 8.954 0.018 -5.772 459 HA ALA 57 HA ALA 57 7.789 1.585 -7.794 460 1HB ALA 57 1HB ALA 57 5.854 0.012 -7.466 461 2HB ALA 57 2HB ALA 57 6.607 -0.579 -5.937 462 3HB ALA 57 3HB ALA 57 7.412 -0.885 -7.517 463 H TRP 58 H TRP 58 7.896 1.942 -4.418 464 HA TRP 58 HA TRP 58 5.457 3.416 -4.224 465 1HB TRP 58 1HB TRP 58 5.988 1.949 -2.384 466 2HB TRP 58 2HB TRP 58 7.597 2.700 -2.155 467 HD1 TRP 58 HD1 TRP 58 4.687 5.040 -2.679 468 HE1 TRP 58 HE1 TRP 58 4.178 6.262 -0.423 469 HE3 TRP 58 HE3 TRP 58 7.616 2.268 0.361 470 HZ2 TRP 58 HZ2 TRP 58 5.221 6.213 2.116 471 HZ3 TRP 58 HZ3 TRP 58 7.523 2.649 2.773 472 HH2 TRP 58 HH2 TRP 58 6.385 4.573 3.691 473 H GLU 59 H GLU 59 8.997 3.970 -3.887 474 HA GLU 59 HA GLU 59 9.072 6.659 -3.535 475 1HB GLU 59 1HB GLU 59 10.873 5.043 -3.145 476 2HB GLU 59 2HB GLU 59 11.092 4.794 -4.885 477 1HG GLU 59 1HG GLU 59 11.296 7.629 -3.719 478 2HG GLU 59 2HG GLU 59 12.609 6.469 -3.368 479 H ASN 60 H ASN 60 8.502 4.877 -6.473 480 HA ASN 60 HA ASN 60 8.936 6.737 -8.399 481 1HB ASN 60 1HB ASN 60 8.130 4.309 -8.547 482 2HB ASN 60 2HB ASN 60 6.481 4.911 -8.145 483 1HD2 ASN 60 1HD2 ASN 60 5.540 4.388 -10.161 484 2HD2 ASN 60 2HD2 ASN 60 6.123 4.991 -11.692 485 H LEU 61 H LEU 61 6.411 6.747 -5.960 486 HA LEU 61 HA LEU 61 5.384 9.244 -7.153 487 1HB LEU 61 1HB LEU 61 3.946 6.848 -6.124 488 2HB LEU 61 2HB LEU 61 3.290 8.386 -5.547 489 HG LEU 61 HG LEU 61 3.414 9.258 -7.947 490 1HD1 LEU 61 1HD1 LEU 61 3.777 6.239 -8.490 491 2HD1 LEU 61 2HD1 LEU 61 4.792 7.609 -9.084 492 3HD1 LEU 61 3HD1 LEU 61 3.119 7.404 -9.712 493 1HD2 LEU 61 1HD2 LEU 61 1.186 8.289 -8.480 494 2HD2 LEU 61 2HD2 LEU 61 1.319 8.652 -6.705 495 3HD2 LEU 61 3HD2 LEU 61 1.495 6.956 -7.300 496 H LYS 62 H LYS 62 7.499 8.722 -5.018 497 HA LYS 62 HA LYS 62 7.152 9.271 -2.623 498 1HB LYS 62 1HB LYS 62 9.295 10.551 -2.663 499 2HB LYS 62 2HB LYS 62 9.275 9.140 -3.745 500 1HG LYS 62 1HG LYS 62 8.623 10.828 -5.655 501 2HG LYS 62 2HG LYS 62 9.150 12.104 -4.519 502 1HD LYS 62 1HD LYS 62 10.766 9.691 -5.523 503 2HD LYS 62 2HD LYS 62 10.938 11.374 -6.113 504 1HE LYS 62 1HE LYS 62 11.779 12.108 -3.868 505 2HE LYS 62 2HE LYS 62 11.535 10.447 -3.211 506 1HZ LYS 62 1HZ LYS 62 13.444 11.175 -5.402 507 2HZ LYS 62 2HZ LYS 62 13.113 9.621 -4.870 508 3HZ LYS 62 3HZ LYS 62 13.779 10.760 -3.814 509 H GLY 63 H GLY 63 6.429 12.057 -4.722 510 1HA GLY 63 1HA GLY 63 6.186 13.716 -2.308 511 2HA GLY 63 2HA GLY 63 6.440 14.247 -4.001 512 H LYS 64 H LYS 64 4.415 12.675 -5.240 513 HA LYS 64 HA LYS 64 2.220 14.429 -4.431 514 1HB LYS 64 1HB LYS 64 1.339 14.110 -6.623 515 2HB LYS 64 2HB LYS 64 3.092 14.412 -6.787 516 1HG LYS 64 1HG LYS 64 3.459 11.891 -6.977 517 2HG LYS 64 2HG LYS 64 1.680 11.677 -6.891 518 1HD LYS 64 1HD LYS 64 1.405 13.163 -8.886 519 2HD LYS 64 2HD LYS 64 3.187 13.324 -9.021 520 1HE LYS 64 1HE LYS 64 3.425 10.887 -9.451 521 2HE LYS 64 2HE LYS 64 1.645 10.636 -9.213 522 1HZ LYS 64 1HZ LYS 64 2.456 10.807 -11.521 523 2HZ LYS 64 2HZ LYS 64 2.762 12.465 -11.276 524 3HZ LYS 64 3HZ LYS 64 1.184 11.866 -11.142 525 H SER 65 H SER 65 3.188 11.413 -3.824 526 HA SER 65 HA SER 65 1.586 9.492 -4.205 527 1HB SER 65 1HB SER 65 2.625 10.582 -1.474 528 2HB SER 65 2HB SER 65 1.884 8.955 -1.537 529 HG SER 65 HG SER 65 4.097 9.637 -3.161 530 H GLN 66 H GLN 66 0.506 11.619 -1.504 531 HA GLN 66 HA GLN 66 -1.613 10.030 -0.871 532 1HB GLN 66 1HB GLN 66 -0.304 12.213 0.079 533 2HB GLN 66 2HB GLN 66 -1.743 13.064 -0.541 534 1HG GLN 66 1HG GLN 66 -3.215 11.695 0.928 535 2HG GLN 66 2HG GLN 66 -1.842 10.536 1.190 536 1HE2 GLN 66 1HE2 GLN 66 -1.759 10.670 3.401 537 2HE2 GLN 66 2HE2 GLN 66 -1.182 12.104 4.238 538 H GLU 67 H GLU 67 -1.376 12.530 -3.312 539 HA GLU 67 HA GLU 67 -4.185 12.861 -3.629 540 1HB GLU 67 1HB GLU 67 -1.760 13.829 -5.216 541 2HB GLU 67 2HB GLU 67 -3.424 14.420 -5.485 542 1HG GLU 67 1HG GLU 67 -1.982 14.705 -2.753 543 2HG GLU 67 2HG GLU 67 -1.789 15.866 -4.103 544 H ASP 68 H ASP 68 -1.562 11.027 -5.336 545 HA ASP 68 HA ASP 68 -3.565 10.390 -7.368 546 1HB ASP 68 1HB ASP 68 -0.546 9.897 -7.008 547 2HB ASP 68 2HB ASP 68 -1.490 8.887 -8.167 548 H ALA 69 H ALA 69 -1.923 8.816 -4.633 549 HA ALA 69 HA ALA 69 -2.834 6.328 -5.108 550 1HB ALA 69 1HB ALA 69 -2.733 6.019 -2.562 551 2HB ALA 69 2HB ALA 69 -2.319 7.797 -2.506 552 3HB ALA 69 3HB ALA 69 -1.288 6.647 -3.435 553 H GLU 70 H GLU 70 -4.552 8.622 -2.884 554 HA GLU 70 HA GLU 70 -6.801 7.297 -2.409 555 1HB GLU 70 1HB GLU 70 -7.858 9.165 -1.797 556 2HB GLU 70 2HB GLU 70 -6.122 9.262 -1.399 557 1HG GLU 70 1HG GLU 70 -5.738 10.758 -3.393 558 2HG GLU 70 2HG GLU 70 -7.467 10.630 -3.835 559 H LYS 71 H LYS 71 -6.287 8.767 -5.681 560 HA LYS 71 HA LYS 71 -9.073 8.296 -6.358 561 1HB LYS 71 1HB LYS 71 -6.640 9.316 -7.966 562 2HB LYS 71 2HB LYS 71 -8.342 9.427 -8.496 563 1HG LYS 71 1HG LYS 71 -8.796 11.199 -6.894 564 2HG LYS 71 2HG LYS 71 -7.205 10.971 -6.079 565 1HD LYS 71 1HD LYS 71 -5.991 11.476 -8.120 566 2HD LYS 71 2HD LYS 71 -7.515 11.594 -9.050 567 1HE LYS 71 1HE LYS 71 -7.105 13.830 -8.840 568 2HE LYS 71 2HE LYS 71 -8.112 13.599 -7.357 569 1HZ LYS 71 1HZ LYS 71 -5.120 13.490 -7.418 570 2HZ LYS 71 2HZ LYS 71 -6.110 13.578 -6.052 571 3HZ LYS 71 3HZ LYS 71 -5.992 14.884 -7.067 572 H GLU 72 H GLU 72 -5.852 7.008 -7.167 573 HA GLU 72 HA GLU 72 -6.944 5.213 -9.085 574 1HB GLU 72 1HB GLU 72 -4.334 5.284 -7.500 575 2HB GLU 72 2HB GLU 72 -4.669 4.078 -8.769 576 1HG GLU 72 1HG GLU 72 -4.605 7.148 -9.190 577 2HG GLU 72 2HG GLU 72 -3.228 6.033 -9.484 578 H TYR 73 H TYR 73 -6.709 5.251 -5.591 579 HA TYR 73 HA TYR 73 -6.154 2.623 -5.324 580 1HB TYR 73 1HB TYR 73 -5.720 4.358 -3.559 581 2HB TYR 73 2HB TYR 73 -7.470 4.333 -3.125 582 HD1 TYR 73 HD1 TYR 73 -4.380 2.422 -3.550 583 HD2 TYR 73 HD2 TYR 73 -8.226 2.461 -1.759 584 HE1 TYR 73 HE1 TYR 73 -3.711 0.522 -2.147 585 HE2 TYR 73 HE2 TYR 73 -7.620 0.495 -0.437 586 HH TYR 73 HH TYR 73 -4.342 -0.960 -0.694 587 H ILE 74 H ILE 74 -9.265 4.344 -4.696 588 HA ILE 74 HA ILE 74 -10.869 2.272 -4.171 589 HB ILE 74 HB ILE 74 -11.557 4.495 -4.120 590 1HG1 ILE 74 1HG1 ILE 74 -13.307 3.005 -6.175 591 2HG1 ILE 74 2HG1 ILE 74 -13.224 2.546 -4.455 592 1HG2 ILE 74 1HG2 ILE 74 -12.110 5.878 -6.059 593 2HG2 ILE 74 2HG2 ILE 74 -11.650 4.579 -7.195 594 3HG2 ILE 74 3HG2 ILE 74 -10.393 5.380 -6.167 595 1HD1 ILE 74 1HD1 ILE 74 -15.239 3.931 -4.991 596 2HD1 ILE 74 2HD1 ILE 74 -14.194 5.283 -5.525 597 3HD1 ILE 74 3HD1 ILE 74 -14.189 4.758 -3.793 598 H ALA 75 H ALA 75 -9.977 3.158 -7.500 599 HA ALA 75 HA ALA 75 -11.575 1.010 -8.477 600 1HB ALA 75 1HB ALA 75 -9.407 2.710 -9.879 601 2HB ALA 75 2HB ALA 75 -11.156 3.116 -9.791 602 3HB ALA 75 3HB ALA 75 -10.625 1.678 -10.725 603 H LEU 76 H LEU 76 -8.397 0.938 -7.222 604 HA LEU 76 HA LEU 76 -7.729 -1.549 -8.547 605 1HB LEU 76 1HB LEU 76 -6.626 -0.320 -5.938 606 2HB LEU 76 2HB LEU 76 -5.996 -1.777 -6.738 607 HG LEU 76 HG LEU 76 -5.962 1.057 -7.897 608 1HD1 LEU 76 1HD1 LEU 76 -4.555 0.665 -5.850 609 2HD1 LEU 76 2HD1 LEU 76 -3.550 0.978 -7.326 610 3HD1 LEU 76 3HD1 LEU 76 -3.736 -0.704 -6.678 611 1HD2 LEU 76 1HD2 LEU 76 -4.590 -1.515 -8.938 612 2HD2 LEU 76 2HD2 LEU 76 -4.490 0.145 -9.656 613 3HD2 LEU 76 3HD2 LEU 76 -6.041 -0.747 -9.688 614 H VAL 77 H VAL 77 -8.769 -0.490 -5.250 615 HA VAL 77 HA VAL 77 -8.685 -3.148 -4.338 616 HB VAL 77 HB VAL 77 -9.377 -0.532 -3.119 617 1HG1 VAL 77 1HG1 VAL 77 -9.512 -1.994 -0.949 618 2HG1 VAL 77 2HG1 VAL 77 -9.798 -3.403 -2.030 619 3HG1 VAL 77 3HG1 VAL 77 -10.984 -2.053 -1.999 620 1HG2 VAL 77 1HG2 VAL 77 -7.353 -2.877 -2.894 621 2HG2 VAL 77 2HG2 VAL 77 -7.387 -1.506 -1.749 622 3HG2 VAL 77 3HG2 VAL 77 -6.996 -1.205 -3.498 623 H ASP 78 H ASP 78 -11.403 -1.188 -5.749 624 HA ASP 78 HA ASP 78 -13.254 -2.961 -4.631 625 1HB ASP 78 1HB ASP 78 -13.304 -0.692 -6.524 626 2HB ASP 78 2HB ASP 78 -14.489 -1.976 -6.974 627 H GLN 79 H GLN 79 -11.389 -3.170 -7.633 628 HA GLN 79 HA GLN 79 -12.873 -5.513 -8.419 629 1HB GLN 79 1HB GLN 79 -11.410 -5.696 -10.304 630 2HB GLN 79 2HB GLN 79 -12.028 -4.035 -10.145 631 1HG GLN 79 1HG GLN 79 -9.872 -3.276 -9.173 632 2HG GLN 79 2HG GLN 79 -9.218 -4.957 -9.223 633 1HE2 GLN 79 1HE2 GLN 79 -7.469 -4.042 -10.497 634 2HE2 GLN 79 2HE2 GLN 79 -7.717 -3.656 -12.178 635 H LEU 80 H LEU 80 -10.289 -4.881 -6.301 636 HA LEU 80 HA LEU 80 -9.178 -7.571 -6.247 637 1HB LEU 80 1HB LEU 80 -8.687 -5.059 -4.681 638 2HB LEU 80 2HB LEU 80 -7.856 -6.608 -4.378 639 HG LEU 80 HG LEU 80 -7.857 -5.136 -7.081 640 1HD1 LEU 80 1HD1 LEU 80 -6.653 -3.857 -5.266 641 2HD1 LEU 80 2HD1 LEU 80 -5.575 -4.418 -6.596 642 3HD1 LEU 80 3HD1 LEU 80 -5.581 -5.304 -5.027 643 1HD2 LEU 80 1HD2 LEU 80 -5.986 -6.585 -7.724 644 2HD2 LEU 80 2HD2 LEU 80 -7.441 -7.579 -7.386 645 3HD2 LEU 80 3HD2 LEU 80 -6.088 -7.493 -6.185 646 H ILE 81 H ILE 81 -11.329 -5.601 -4.088 647 HA ILE 81 HA ILE 81 -11.784 -7.730 -2.364 648 HB ILE 81 HB ILE 81 -13.205 -5.253 -3.124 649 1HG1 ILE 81 1HG1 ILE 81 -11.806 -6.150 -0.526 650 2HG1 ILE 81 2HG1 ILE 81 -11.070 -5.150 -1.813 651 1HG2 ILE 81 1HG2 ILE 81 -14.766 -5.565 -1.116 652 2HG2 ILE 81 2HG2 ILE 81 -14.127 -7.230 -0.917 653 3HG2 ILE 81 3HG2 ILE 81 -15.071 -6.765 -2.389 654 1HD1 ILE 81 1HD1 ILE 81 -13.430 -4.339 0.011 655 2HD1 ILE 81 2HD1 ILE 81 -12.837 -3.368 -1.393 656 3HD1 ILE 81 3HD1 ILE 81 -11.764 -3.684 0.018 657 H ALA 82 H ALA 82 -13.328 -6.921 -5.472 658 HA ALA 82 HA ALA 82 -15.327 -8.803 -5.415 659 1HB ALA 82 1HB ALA 82 -14.991 -7.078 -7.193 660 2HB ALA 82 2HB ALA 82 -15.198 -8.728 -7.880 661 3HB ALA 82 3HB ALA 82 -13.555 -7.991 -7.782 662 H LYS 83 H LYS 83 -11.830 -9.447 -5.668 663 HA LYS 83 HA LYS 83 -12.315 -12.204 -6.437 664 1HB LYS 83 1HB LYS 83 -9.739 -10.686 -5.741 665 2HB LYS 83 2HB LYS 83 -9.838 -12.361 -6.362 666 1HG LYS 83 1HG LYS 83 -10.737 -11.464 -8.531 667 2HG LYS 83 2HG LYS 83 -10.668 -9.809 -7.842 668 1HD LYS 83 1HD LYS 83 -8.141 -10.382 -7.320 669 2HD LYS 83 2HD LYS 83 -8.344 -11.674 -8.543 670 1HE LYS 83 1HE LYS 83 -9.093 -9.886 -10.218 671 2HE LYS 83 2HE LYS 83 -8.886 -8.655 -8.905 672 1HZ LYS 83 1HZ LYS 83 -6.471 -9.551 -8.828 673 2HZ LYS 83 2HZ LYS 83 -6.945 -8.527 -10.060 674 3HZ LYS 83 3HZ LYS 83 -6.796 -10.188 -10.351 675 H TYR 84 H TYR 84 -11.535 -10.052 -3.726 676 HA TYR 84 HA TYR 84 -10.458 -12.293 -2.274 677 1HB TYR 84 1HB TYR 84 -10.219 -9.267 -1.883 678 2HB TYR 84 2HB TYR 84 -9.356 -10.508 -0.911 679 HD1 TYR 84 HD1 TYR 84 -8.496 -12.397 -3.100 680 HD2 TYR 84 HD2 TYR 84 -8.471 -8.157 -2.848 681 HE1 TYR 84 HE1 TYR 84 -6.487 -12.331 -4.472 682 HE2 TYR 84 HE2 TYR 84 -6.443 -8.093 -4.195 683 HH TYR 84 HH TYR 84 -5.338 -9.827 -6.069 684 H SER 85 H SER 85 -13.319 -10.299 -1.992 685 HA SER 85 HA SER 85 -13.642 -10.255 0.621 686 1HB SER 85 1HB SER 85 -15.898 -9.928 0.458 687 2HB SER 85 2HB SER 85 -15.217 -9.274 -1.056 688 HG SER 85 HG SER 85 -16.101 -10.981 -2.153 689 H SER 86 H SER 86 -14.653 -13.181 -1.218 690 HA SER 86 HA SER 86 -13.919 -14.704 1.077 691 1HB SER 86 1HB SER 86 -16.304 -14.024 1.625 692 2HB SER 86 2HB SER 86 -16.838 -14.842 0.125 693 HG SER 86 HG SER 86 -16.116 -16.765 0.979 Start of MODEL 2 1 1H VAL 1 1H VAL 1 -9.965 11.562 -4.065 2 2H VAL 1 2H VAL 1 -10.647 13.037 -3.783 3 3H VAL 1 3H VAL 1 -11.590 11.636 -3.600 4 HA VAL 1 HA VAL 1 -9.209 12.452 -2.043 5 HB VAL 1 HB VAL 1 -10.694 12.720 -0.085 6 1HG1 VAL 1 1HG1 VAL 1 -9.876 14.642 -1.470 7 2HG1 VAL 1 2HG1 VAL 1 -11.498 14.917 -0.748 8 3HG1 VAL 1 3HG1 VAL 1 -11.361 14.527 -2.494 9 1HG2 VAL 1 1HG2 VAL 1 -12.642 11.286 -0.947 10 2HG2 VAL 1 2HG2 VAL 1 -12.991 12.587 -2.149 11 3HG2 VAL 1 3HG2 VAL 1 -13.099 12.939 -0.411 12 H SER 2 H SER 2 -8.836 11.331 0.048 13 HA SER 2 HA SER 2 -8.520 8.620 -0.467 14 1HB SER 2 1HB SER 2 -7.833 10.409 1.914 15 2HB SER 2 2HB SER 2 -7.135 8.766 1.634 16 HG SER 2 HG SER 2 -5.810 10.528 0.880 17 H GLN 3 H GLN 3 -11.236 9.957 0.732 18 HA GLN 3 HA GLN 3 -11.607 8.783 3.206 19 1HB GLN 3 1HB GLN 3 -13.688 9.417 1.047 20 2HB GLN 3 2HB GLN 3 -14.059 9.041 2.757 21 1HG GLN 3 1HG GLN 3 -12.754 11.059 3.493 22 2HG GLN 3 2HG GLN 3 -12.388 11.453 1.788 23 1HE2 GLN 3 1HE2 GLN 3 -15.190 10.896 4.030 24 2HE2 GLN 3 2HE2 GLN 3 -16.248 12.001 3.203 25 H LEU 4 H LEU 4 -12.357 7.599 0.002 26 HA LEU 4 HA LEU 4 -13.366 5.050 0.722 27 1HB LEU 4 1HB LEU 4 -12.701 4.649 -1.805 28 2HB LEU 4 2HB LEU 4 -14.099 5.738 -1.411 29 HG LEU 4 HG LEU 4 -11.322 6.818 -1.610 30 1HD1 LEU 4 1HD1 LEU 4 -12.946 6.102 -4.112 31 2HD1 LEU 4 2HD1 LEU 4 -11.283 5.552 -3.612 32 3HD1 LEU 4 3HD1 LEU 4 -11.563 7.252 -4.105 33 1HD2 LEU 4 1HD2 LEU 4 -12.611 8.826 -2.712 34 2HD2 LEU 4 2HD2 LEU 4 -13.300 8.461 -1.089 35 3HD2 LEU 4 3HD2 LEU 4 -14.118 7.872 -2.571 36 H PHE 5 H PHE 5 -10.171 6.380 -0.155 37 HA PHE 5 HA PHE 5 -8.870 3.981 -0.615 38 1HB PHE 5 1HB PHE 5 -8.030 6.197 -1.308 39 2HB PHE 5 2HB PHE 5 -7.993 6.750 0.403 40 HD1 PHE 5 HD1 PHE 5 -6.091 5.257 -2.182 41 HD2 PHE 5 HD2 PHE 5 -6.451 5.713 2.031 42 HE1 PHE 5 HE1 PHE 5 -3.726 4.681 -1.918 43 HE2 PHE 5 HE2 PHE 5 -4.116 5.095 2.319 44 HZ PHE 5 HZ PHE 5 -2.735 4.665 0.363 45 H GLU 6 H GLU 6 -9.211 5.921 2.378 46 HA GLU 6 HA GLU 6 -7.827 3.885 3.876 47 1HB GLU 6 1HB GLU 6 -9.154 6.493 4.674 48 2HB GLU 6 2HB GLU 6 -8.655 5.274 5.889 49 1HG GLU 6 1HG GLU 6 -6.315 5.280 4.924 50 2HG GLU 6 2HG GLU 6 -6.768 6.675 3.899 51 H GLU 7 H GLU 7 -11.164 4.516 3.025 52 HA GLU 7 HA GLU 7 -12.226 2.684 4.871 53 1HB GLU 7 1HB GLU 7 -14.018 3.623 4.145 54 2HB GLU 7 2HB GLU 7 -13.159 4.375 2.777 55 1HG GLU 7 1HG GLU 7 -13.741 2.869 1.211 56 2HG GLU 7 2HG GLU 7 -14.113 1.529 2.394 57 H LYS 8 H LYS 8 -11.174 2.116 1.453 58 HA LYS 8 HA LYS 8 -11.695 -0.666 1.859 59 1HB LYS 8 1HB LYS 8 -10.512 0.812 -0.540 60 2HB LYS 8 2HB LYS 8 -11.033 -0.909 -0.478 61 1HG LYS 8 1HG LYS 8 -12.857 1.535 -0.320 62 2HG LYS 8 2HG LYS 8 -12.685 0.338 -1.638 63 1HD LYS 8 1HD LYS 8 -13.327 -1.459 0.152 64 2HD LYS 8 2HD LYS 8 -13.880 -0.097 1.156 65 1HE LYS 8 1HE LYS 8 -14.918 -0.938 -1.642 66 2HE LYS 8 2HE LYS 8 -15.769 -1.127 -0.062 67 1HZ LYS 8 1HZ LYS 8 -15.885 1.301 0.113 68 2HZ LYS 8 2HZ LYS 8 -16.576 0.741 -1.310 69 3HZ LYS 8 3HZ LYS 8 -15.091 1.495 -1.353 70 H ALA 9 H ALA 9 -8.675 1.282 2.018 71 HA ALA 9 HA ALA 9 -7.034 -0.806 1.329 72 1HB ALA 9 1HB ALA 9 -5.287 0.539 2.392 73 2HB ALA 9 2HB ALA 9 -6.515 1.600 3.214 74 3HB ALA 9 3HB ALA 9 -6.345 1.620 1.423 75 H LYS 10 H LYS 10 -8.100 0.390 4.411 76 HA LYS 10 HA LYS 10 -6.925 -1.379 6.207 77 1HB LYS 10 1HB LYS 10 -9.347 0.400 5.879 78 2HB LYS 10 2HB LYS 10 -9.195 -0.544 7.414 79 1HG LYS 10 1HG LYS 10 -7.133 1.481 6.291 80 2HG LYS 10 2HG LYS 10 -8.408 1.894 7.460 81 1HD LYS 10 1HD LYS 10 -6.148 -0.133 7.936 82 2HD LYS 10 2HD LYS 10 -6.186 1.562 8.512 83 1HE LYS 10 1HE LYS 10 -8.197 1.068 9.939 84 2HE LYS 10 2HE LYS 10 -8.186 -0.646 9.358 85 1HZ LYS 10 1HZ LYS 10 -6.047 0.731 10.900 86 2HZ LYS 10 2HZ LYS 10 -5.885 -0.795 10.202 87 3HZ LYS 10 3HZ LYS 10 -7.009 -0.513 11.441 88 H ALA 11 H ALA 11 -9.660 -1.816 4.021 89 HA ALA 11 HA ALA 11 -10.595 -4.174 5.364 90 1HB ALA 11 1HB ALA 11 -12.194 -2.809 3.988 91 2HB ALA 11 2HB ALA 11 -12.042 -4.502 3.387 92 3HB ALA 11 3HB ALA 11 -11.216 -3.179 2.516 93 H VAL 12 H VAL 12 -8.755 -3.536 2.220 94 HA VAL 12 HA VAL 12 -8.622 -6.223 1.725 95 HB VAL 12 HB VAL 12 -7.025 -5.642 -0.056 96 1HG1 VAL 12 1HG1 VAL 12 -8.682 -4.569 -1.350 97 2HG1 VAL 12 2HG1 VAL 12 -9.534 -3.904 0.106 98 3HG1 VAL 12 3HG1 VAL 12 -9.507 -5.686 -0.206 99 1HG2 VAL 12 1HG2 VAL 12 -7.369 -2.752 0.965 100 2HG2 VAL 12 2HG2 VAL 12 -6.503 -3.270 -0.508 101 3HG2 VAL 12 3HG2 VAL 12 -5.839 -3.682 1.101 102 H ASN 13 H ASN 13 -6.471 -4.218 3.639 103 HA ASN 13 HA ASN 13 -4.375 -6.149 3.626 104 1HB ASN 13 1HB ASN 13 -5.091 -3.904 5.595 105 2HB ASN 13 2HB ASN 13 -3.577 -4.884 5.695 106 1HD2 ASN 13 1HD2 ASN 13 -3.534 -2.106 5.406 107 2HD2 ASN 13 2HD2 ASN 13 -2.954 -1.691 3.811 108 H GLU 14 H GLU 14 -7.355 -5.967 5.313 109 HA GLU 14 HA GLU 14 -6.430 -7.808 7.399 110 1HB GLU 14 1HB GLU 14 -7.193 -5.528 7.997 111 2HB GLU 14 2HB GLU 14 -8.813 -5.892 7.349 112 1HG GLU 14 1HG GLU 14 -9.166 -7.611 9.109 113 2HG GLU 14 2HG GLU 14 -7.444 -7.480 9.620 114 H LEU 15 H LEU 15 -8.201 -7.818 4.523 115 HA LEU 15 HA LEU 15 -10.457 -9.184 5.160 116 1HB LEU 15 1HB LEU 15 -9.155 -7.970 2.977 117 2HB LEU 15 2HB LEU 15 -9.261 -9.649 2.442 118 HG LEU 15 HG LEU 15 -11.699 -9.559 2.447 119 1HD1 LEU 15 1HD1 LEU 15 -11.477 -6.747 3.691 120 2HD1 LEU 15 2HD1 LEU 15 -12.214 -8.200 4.474 121 3HD1 LEU 15 3HD1 LEU 15 -12.972 -7.483 3.012 122 1HD2 LEU 15 1HD2 LEU 15 -12.014 -7.977 0.669 123 2HD2 LEU 15 2HD2 LEU 15 -10.298 -8.527 0.579 124 3HD2 LEU 15 3HD2 LEU 15 -10.683 -6.916 1.278 125 HA PRO 16 HA PRO 16 -9.056 -13.102 5.935 126 1HB PRO 16 1HB PRO 16 -11.068 -14.809 5.156 127 2HB PRO 16 2HB PRO 16 -11.362 -13.500 6.387 128 1HG PRO 16 1HG PRO 16 -12.079 -13.464 3.406 129 2HG PRO 16 2HG PRO 16 -13.089 -12.934 4.810 130 1HD PRO 16 1HD PRO 16 -11.359 -11.333 3.186 131 2HD PRO 16 2HD PRO 16 -11.975 -10.804 4.832 132 H THR 17 H THR 17 -9.751 -12.378 2.655 133 HA THR 17 HA THR 17 -8.080 -14.578 1.650 134 HB THR 17 HB THR 17 -9.724 -12.600 0.050 135 HG1 THR 17 HG1 THR 17 -11.359 -13.473 0.805 136 1HG2 THR 17 1HG2 THR 17 -9.684 -14.375 -1.663 137 2HG2 THR 17 2HG2 THR 17 -8.836 -15.518 -0.546 138 3HG2 THR 17 3HG2 THR 17 -7.998 -14.029 -1.161 139 H LYS 18 H LYS 18 -6.371 -13.403 2.723 140 HA LYS 18 HA LYS 18 -5.893 -10.781 2.448 141 1HB LYS 18 1HB LYS 18 -3.923 -13.050 2.906 142 2HB LYS 18 2HB LYS 18 -3.504 -11.329 3.173 143 1HG LYS 18 1HG LYS 18 -5.320 -11.057 4.785 144 2HG LYS 18 2HG LYS 18 -5.817 -12.752 4.649 145 1HD LYS 18 1HD LYS 18 -2.939 -12.010 5.435 146 2HD LYS 18 2HD LYS 18 -4.277 -11.902 6.605 147 1HE LYS 18 1HE LYS 18 -3.084 -14.020 6.897 148 2HE LYS 18 2HE LYS 18 -4.799 -14.300 6.401 149 1HZ LYS 18 1HZ LYS 18 -4.124 -14.796 4.241 150 2HZ LYS 18 2HZ LYS 18 -3.170 -15.701 5.274 151 3HZ LYS 18 3HZ LYS 18 -2.495 -14.332 4.507 152 HA PRO 19 HA PRO 19 -4.621 -9.905 -1.415 153 1HB PRO 19 1HB PRO 19 -2.210 -8.351 -0.353 154 2HB PRO 19 2HB PRO 19 -3.440 -7.807 -1.572 155 1HG PRO 19 1HG PRO 19 -3.651 -6.972 1.054 156 2HG PRO 19 2HG PRO 19 -5.131 -7.575 0.211 157 1HD PRO 19 1HD PRO 19 -3.284 -9.133 2.107 158 2HD PRO 19 2HD PRO 19 -5.108 -9.021 2.050 159 H SER 20 H SER 20 -3.335 -10.559 -3.236 160 HA SER 20 HA SER 20 -1.531 -12.650 -2.565 161 1HB SER 20 1HB SER 20 -3.190 -12.788 -4.413 162 2HB SER 20 2HB SER 20 -2.243 -11.576 -5.328 163 HG SER 20 HG SER 20 -1.755 -13.704 -5.889 164 H THR 21 H THR 21 0.560 -12.959 -3.105 165 HA THR 21 HA THR 21 2.271 -11.277 -2.168 166 HB THR 21 HB THR 21 2.910 -13.339 -4.297 167 HG1 THR 21 HG1 THR 21 1.848 -14.321 -2.672 168 1HG2 THR 21 1HG2 THR 21 4.921 -11.873 -3.706 169 2HG2 THR 21 2HG2 THR 21 5.066 -13.541 -3.077 170 3HG2 THR 21 3HG2 THR 21 4.603 -12.221 -1.953 171 H ASP 22 H ASP 22 2.109 -11.623 -5.766 172 HA ASP 22 HA ASP 22 4.069 -9.511 -5.966 173 1HB ASP 22 1HB ASP 22 3.967 -11.831 -7.167 174 2HB ASP 22 2HB ASP 22 2.656 -11.142 -8.176 175 H GLU 23 H GLU 23 0.723 -9.681 -5.871 176 HA GLU 23 HA GLU 23 0.251 -7.349 -7.527 177 1HB GLU 23 1HB GLU 23 -1.559 -8.936 -5.636 178 2HB GLU 23 2HB GLU 23 -2.076 -7.586 -6.702 179 1HG GLU 23 1HG GLU 23 -1.462 -8.926 -8.721 180 2HG GLU 23 2HG GLU 23 -0.954 -10.303 -7.674 181 H LEU 24 H LEU 24 0.092 -8.249 -4.031 182 HA LEU 24 HA LEU 24 -0.576 -6.054 -2.819 183 1HB LEU 24 1HB LEU 24 -0.156 -8.313 -1.946 184 2HB LEU 24 2HB LEU 24 1.600 -8.125 -2.189 185 HG LEU 24 HG LEU 24 0.599 -7.975 0.172 186 1HD1 LEU 24 1HD1 LEU 24 2.937 -7.375 -0.422 187 2HD1 LEU 24 2HD1 LEU 24 2.290 -6.452 0.991 188 3HD1 LEU 24 3HD1 LEU 24 2.440 -5.651 -0.618 189 1HD2 LEU 24 1HD2 LEU 24 -0.068 -5.069 -0.570 190 2HD2 LEU 24 2HD2 LEU 24 -0.407 -5.934 0.974 191 3HD2 LEU 24 3HD2 LEU 24 -1.277 -6.398 -0.552 192 H LEU 25 H LEU 25 2.727 -6.642 -4.065 193 HA LEU 25 HA LEU 25 4.004 -4.534 -2.835 194 1HB LEU 25 1HB LEU 25 4.312 -5.890 -5.573 195 2HB LEU 25 2HB LEU 25 5.550 -4.796 -4.842 196 HG LEU 25 HG LEU 25 4.529 -7.378 -3.497 197 1HD1 LEU 25 1HD1 LEU 25 5.535 -7.863 -5.739 198 2HD1 LEU 25 2HD1 LEU 25 6.490 -8.544 -4.366 199 3HD1 LEU 25 3HD1 LEU 25 7.061 -7.059 -5.219 200 1HD2 LEU 25 1HD2 LEU 25 5.596 -5.736 -1.946 201 2HD2 LEU 25 2HD2 LEU 25 7.054 -5.670 -3.012 202 3HD2 LEU 25 3HD2 LEU 25 6.619 -7.200 -2.161 203 H GLU 26 H GLU 26 2.529 -4.568 -6.073 204 HA GLU 26 HA GLU 26 2.837 -1.880 -6.665 205 1HB GLU 26 1HB GLU 26 0.521 -3.705 -7.493 206 2HB GLU 26 2HB GLU 26 1.097 -2.233 -8.336 207 1HG GLU 26 1HG GLU 26 3.340 -3.385 -8.692 208 2HG GLU 26 2HG GLU 26 2.649 -4.891 -7.978 209 H LEU 27 H LEU 27 0.176 -3.481 -4.944 210 HA LEU 27 HA LEU 27 -1.438 -1.215 -4.631 211 1HB LEU 27 1HB LEU 27 -1.205 -3.928 -3.279 212 2HB LEU 27 2HB LEU 27 -2.260 -2.691 -2.555 213 HG LEU 27 HG LEU 27 -3.511 -4.278 -3.912 214 1HD1 LEU 27 1HD1 LEU 27 -4.889 -2.629 -5.129 215 2HD1 LEU 27 2HD1 LEU 27 -3.571 -1.403 -5.004 216 3HD1 LEU 27 3HD1 LEU 27 -4.383 -2.013 -3.513 217 1HD2 LEU 27 1HD2 LEU 27 -3.457 -4.246 -6.395 218 2HD2 LEU 27 2HD2 LEU 27 -1.885 -4.800 -5.715 219 3HD2 LEU 27 3HD2 LEU 27 -2.048 -3.131 -6.376 220 H TYR 28 H TYR 28 1.073 -2.638 -2.590 221 HA TYR 28 HA TYR 28 1.046 -0.983 -0.459 222 1HB TYR 28 1HB TYR 28 2.338 -2.943 -0.398 223 2HB TYR 28 2HB TYR 28 3.253 -2.517 -1.853 224 HD1 TYR 28 HD1 TYR 28 4.739 -0.400 -1.746 225 HD2 TYR 28 HD2 TYR 28 3.372 -2.573 1.645 226 HE1 TYR 28 HE1 TYR 28 6.440 0.655 -0.417 227 HE2 TYR 28 HE2 TYR 28 5.262 -1.747 2.927 228 HH TYR 28 HH TYR 28 6.842 -0.128 3.029 229 H ALA 29 H ALA 29 2.807 -0.203 -3.586 230 HA ALA 29 HA ALA 29 3.770 2.176 -2.698 231 1HB ALA 29 1HB ALA 29 2.669 1.447 -5.476 232 2HB ALA 29 2HB ALA 29 4.376 1.311 -4.910 233 3HB ALA 29 3HB ALA 29 3.646 2.925 -5.130 234 H LEU 30 H LEU 30 0.475 1.617 -3.972 235 HA LEU 30 HA LEU 30 -0.199 4.387 -3.730 236 1HB LEU 30 1HB LEU 30 -1.860 1.817 -4.019 237 2HB LEU 30 2HB LEU 30 -2.596 3.440 -3.844 238 HG LEU 30 HG LEU 30 -0.990 4.075 -5.896 239 1HD1 LEU 30 1HD1 LEU 30 -1.687 1.076 -6.325 240 2HD1 LEU 30 2HD1 LEU 30 0.001 1.716 -6.190 241 3HD1 LEU 30 3HD1 LEU 30 -1.041 2.183 -7.590 242 1HD2 LEU 30 1HD2 LEU 30 -3.368 4.359 -5.595 243 2HD2 LEU 30 2HD2 LEU 30 -3.674 2.625 -6.037 244 3HD2 LEU 30 3HD2 LEU 30 -2.972 3.766 -7.279 245 H TYR 31 H TYR 31 -0.941 1.507 -1.802 246 HA TYR 31 HA TYR 31 -2.552 2.533 0.120 247 1HB TYR 31 1HB TYR 31 -2.337 0.182 -0.114 248 2HB TYR 31 2HB TYR 31 -0.579 0.248 0.256 249 HD1 TYR 31 HD1 TYR 31 -3.647 1.830 1.864 250 HD2 TYR 31 HD2 TYR 31 -0.070 -0.424 2.315 251 HE1 TYR 31 HE1 TYR 31 -4.077 1.694 4.199 252 HE2 TYR 31 HE2 TYR 31 -0.374 -0.393 4.739 253 HH TYR 31 HH TYR 31 -3.043 1.426 6.200 254 H LYS 32 H LYS 32 1.036 2.115 0.236 255 HA LYS 32 HA LYS 32 1.391 3.584 2.605 256 1HB LYS 32 1HB LYS 32 3.395 2.926 0.397 257 2HB LYS 32 2HB LYS 32 3.806 3.583 1.992 258 1HG LYS 32 1HG LYS 32 2.607 0.832 1.396 259 2HG LYS 32 2HG LYS 32 4.234 1.263 1.983 260 1HD LYS 32 1HD LYS 32 1.583 1.466 3.528 261 2HD LYS 32 2HD LYS 32 2.939 0.329 3.775 262 1HE LYS 32 1HE LYS 32 4.426 2.383 4.296 263 2HE LYS 32 2HE LYS 32 2.898 3.371 4.322 264 1HZ LYS 32 1HZ LYS 32 2.035 1.759 5.984 265 2HZ LYS 32 2HZ LYS 32 3.350 2.602 6.570 266 3HZ LYS 32 3HZ LYS 32 3.531 1.011 6.037 267 H GLN 33 H GLN 33 1.190 4.717 -0.850 268 HA GLN 33 HA GLN 33 2.259 7.160 -0.163 269 1HB GLN 33 1HB GLN 33 1.062 6.091 -2.541 270 2HB GLN 33 2HB GLN 33 0.272 7.642 -2.231 271 1HG GLN 33 1HG GLN 33 3.292 7.178 -2.428 272 2HG GLN 33 2HG GLN 33 2.158 7.961 -3.624 273 1HE2 GLN 33 1HE2 GLN 33 4.321 8.521 -0.962 274 2HE2 GLN 33 2HE2 GLN 33 3.818 10.168 -0.632 275 H ALA 34 H ALA 34 -1.251 6.360 -0.260 276 HA ALA 34 HA ALA 34 -1.602 9.030 0.927 277 1HB ALA 34 1HB ALA 34 -3.955 8.929 0.538 278 2HB ALA 34 2HB ALA 34 -3.819 7.276 -0.147 279 3HB ALA 34 3HB ALA 34 -3.017 8.661 -0.966 280 H THR 35 H THR 35 -1.244 5.814 2.208 281 HA THR 35 HA THR 35 -2.641 6.382 4.534 282 HB THR 35 HB THR 35 -0.287 4.579 4.072 283 HG1 THR 35 HG1 THR 35 -2.065 3.757 3.270 284 1HG2 THR 35 1HG2 THR 35 -1.029 3.641 6.329 285 2HG2 THR 35 2HG2 THR 35 -2.016 5.139 6.578 286 3HG2 THR 35 3HG2 THR 35 -0.205 5.237 6.459 287 H VAL 36 H VAL 36 0.941 6.740 3.841 288 HA VAL 36 HA VAL 36 1.111 8.343 6.246 289 HB VAL 36 HB VAL 36 3.594 8.329 5.707 290 1HG1 VAL 36 1HG1 VAL 36 2.483 7.255 7.655 291 2HG1 VAL 36 2HG1 VAL 36 3.756 6.186 6.966 292 3HG1 VAL 36 3HG1 VAL 36 2.024 5.842 6.632 293 1HG2 VAL 36 1HG2 VAL 36 4.378 6.356 4.480 294 2HG2 VAL 36 2HG2 VAL 36 3.300 7.246 3.366 295 3HG2 VAL 36 3HG2 VAL 36 2.723 5.757 4.209 296 H GLY 37 H GLY 37 1.519 8.785 2.725 297 1HA GLY 37 1HA GLY 37 1.144 10.670 1.673 298 2HA GLY 37 2HA GLY 37 1.358 11.642 3.173 299 H ASP 38 H ASP 38 3.913 9.902 3.472 300 HA ASP 38 HA ASP 38 5.632 11.324 1.566 301 1HB ASP 38 1HB ASP 38 5.999 10.896 4.608 302 2HB ASP 38 2HB ASP 38 7.336 11.409 3.511 303 H ASN 39 H ASN 39 7.474 9.768 0.920 304 HA ASN 39 HA ASN 39 7.374 7.172 1.790 305 1HB ASN 39 1HB ASN 39 9.604 6.853 1.137 306 2HB ASN 39 2HB ASN 39 8.818 7.950 -0.029 307 1HD2 ASN 39 1HD2 ASN 39 11.441 7.587 2.243 308 2HD2 ASN 39 2HD2 ASN 39 12.162 9.147 1.947 309 H ASP 40 H ASP 40 7.107 6.429 3.775 310 HA ASP 40 HA ASP 40 8.002 7.920 6.010 311 1HB ASP 40 1HB ASP 40 5.834 6.704 5.929 312 2HB ASP 40 2HB ASP 40 6.713 5.131 5.859 313 H LYS 41 H LYS 41 8.752 4.525 5.039 314 HA LYS 41 HA LYS 41 11.248 4.609 6.468 315 1HB LYS 41 1HB LYS 41 9.986 2.556 4.556 316 2HB LYS 41 2HB LYS 41 11.475 2.268 5.483 317 1HG LYS 41 1HG LYS 41 8.702 2.779 6.708 318 2HG LYS 41 2HG LYS 41 9.463 1.183 6.429 319 1HD LYS 41 1HD LYS 41 10.205 1.358 8.562 320 2HD LYS 41 2HD LYS 41 11.471 2.391 7.861 321 1HE LYS 41 1HE LYS 41 10.581 3.584 9.783 322 2HE LYS 41 2HE LYS 41 9.900 4.420 8.320 323 1HZ LYS 41 1HZ LYS 41 8.287 2.223 9.385 324 2HZ LYS 41 2HZ LYS 41 7.854 3.789 8.853 325 3HZ LYS 41 3HZ LYS 41 8.456 3.543 10.389 326 H GLU 42 H GLU 42 13.197 3.969 5.288 327 HA GLU 42 HA GLU 42 13.230 4.463 2.422 328 1HB GLU 42 1HB GLU 42 13.655 6.619 3.727 329 2HB GLU 42 2HB GLU 42 15.097 5.842 4.427 330 1HG GLU 42 1HG GLU 42 15.837 5.494 1.858 331 2HG GLU 42 2HG GLU 42 14.551 6.680 1.494 332 H LYS 43 H LYS 43 13.174 2.205 4.166 333 HA LYS 43 HA LYS 43 15.842 1.054 3.801 334 1HB LYS 43 1HB LYS 43 15.773 0.243 6.176 335 2HB LYS 43 2HB LYS 43 16.138 1.963 5.900 336 1HG LYS 43 1HG LYS 43 13.785 2.604 6.456 337 2HG LYS 43 2HG LYS 43 13.413 0.892 6.839 338 1HD LYS 43 1HD LYS 43 15.597 2.615 8.149 339 2HD LYS 43 2HD LYS 43 13.943 2.418 8.800 340 1HE LYS 43 1HE LYS 43 14.299 0.009 9.210 341 2HE LYS 43 2HE LYS 43 15.933 0.072 8.433 342 1HZ LYS 43 1HZ LYS 43 15.088 1.655 10.800 343 2HZ LYS 43 2HZ LYS 43 16.618 1.673 10.084 344 3HZ LYS 43 3HZ LYS 43 16.065 0.285 10.872 345 HA PRO 44 HA PRO 44 12.988 -2.315 3.122 346 1HB PRO 44 1HB PRO 44 13.580 -2.893 0.538 347 2HB PRO 44 2HB PRO 44 12.469 -1.517 0.970 348 1HG PRO 44 1HG PRO 44 15.479 -1.314 0.357 349 2HG PRO 44 2HG PRO 44 14.122 -0.386 -0.433 350 1HD PRO 44 1HD PRO 44 15.598 0.513 1.765 351 2HD PRO 44 2HD PRO 44 13.847 0.971 1.513 352 H GLY 45 H GLY 45 14.015 -4.661 2.585 353 1HA GLY 45 1HA GLY 45 16.252 -4.661 4.260 354 2HA GLY 45 2HA GLY 45 15.375 -6.025 3.554 355 H ILE 46 H ILE 46 17.192 -7.218 3.409 356 HA ILE 46 HA ILE 46 19.492 -6.115 1.988 357 HB ILE 46 HB ILE 46 20.649 -8.076 3.173 358 1HG1 ILE 46 1HG1 ILE 46 18.288 -7.638 5.107 359 2HG1 ILE 46 2HG1 ILE 46 18.423 -9.095 4.079 360 1HG2 ILE 46 1HG2 ILE 46 21.049 -6.516 5.061 361 2HG2 ILE 46 2HG2 ILE 46 19.542 -5.619 4.662 362 3HG2 ILE 46 3HG2 ILE 46 20.943 -5.598 3.518 363 1HD1 ILE 46 1HD1 ILE 46 19.309 -9.569 6.325 364 2HD1 ILE 46 2HD1 ILE 46 20.449 -8.186 6.229 365 3HD1 ILE 46 3HD1 ILE 46 20.667 -9.603 5.140 366 H PHE 47 H PHE 47 18.116 -9.418 2.404 367 HA PHE 47 HA PHE 47 18.666 -10.010 -0.360 368 1HB PHE 47 1HB PHE 47 17.365 -12.210 0.436 369 2HB PHE 47 2HB PHE 47 19.065 -11.884 0.896 370 HD1 PHE 47 HD1 PHE 47 19.673 -12.008 3.048 371 HD2 PHE 47 HD2 PHE 47 15.587 -11.212 2.178 372 HE1 PHE 47 HE1 PHE 47 19.174 -11.961 5.443 373 HE2 PHE 47 HE2 PHE 47 15.092 -11.147 4.567 374 HZ PHE 47 HZ PHE 47 16.912 -11.416 6.208 375 H ASN 48 H ASN 48 16.343 -8.313 1.253 376 HA ASN 48 HA ASN 48 13.988 -9.234 0.056 377 1HB ASN 48 1HB ASN 48 14.521 -6.580 1.414 378 2HB ASN 48 2HB ASN 48 12.922 -7.354 1.130 379 1HD2 ASN 48 1HD2 ASN 48 12.214 -9.028 2.574 380 2HD2 ASN 48 2HD2 ASN 48 13.142 -9.473 3.975 381 H MET 49 H MET 49 14.988 -9.184 -2.225 382 HA MET 49 HA MET 49 15.253 -6.810 -3.605 383 1HB MET 49 1HB MET 49 14.367 -9.550 -4.620 384 2HB MET 49 2HB MET 49 14.859 -8.169 -5.652 385 1HG MET 49 1HG MET 49 17.080 -8.169 -4.293 386 2HG MET 49 2HG MET 49 16.599 -9.792 -3.728 387 1HE MET 49 1HE MET 49 16.257 -11.740 -7.189 388 2HE MET 49 2HE MET 49 14.946 -10.733 -6.510 389 3HE MET 49 3HE MET 49 15.938 -11.770 -5.420 390 H LYS 50 H LYS 50 12.330 -8.787 -3.063 391 HA LYS 50 HA LYS 50 10.659 -7.256 -4.637 392 1HB LYS 50 1HB LYS 50 8.848 -8.371 -3.650 393 2HB LYS 50 2HB LYS 50 10.221 -9.513 -3.764 394 1HG LYS 50 1HG LYS 50 10.645 -9.183 -1.268 395 2HG LYS 50 2HG LYS 50 9.261 -8.056 -1.243 396 1HD LYS 50 1HD LYS 50 8.141 -9.871 -0.555 397 2HD LYS 50 2HD LYS 50 7.905 -10.084 -2.306 398 1HE LYS 50 1HE LYS 50 9.934 -11.544 -0.467 399 2HE LYS 50 2HE LYS 50 8.447 -12.234 -1.212 400 1HZ LYS 50 1HZ LYS 50 10.879 -11.301 -2.664 401 2HZ LYS 50 2HZ LYS 50 9.431 -11.824 -3.387 402 3HZ LYS 50 3HZ LYS 50 10.362 -12.883 -2.449 403 H ASP 51 H ASP 51 11.460 -6.751 -1.166 404 HA ASP 51 HA ASP 51 9.900 -4.440 -0.955 405 1HB ASP 51 1HB ASP 51 12.471 -5.180 0.547 406 2HB ASP 51 2HB ASP 51 11.316 -3.859 0.988 407 H ARG 52 H ARG 52 13.389 -4.854 -1.719 408 HA ARG 52 HA ARG 52 14.198 -2.301 -1.860 409 1HB ARG 52 1HB ARG 52 14.857 -4.775 -3.467 410 2HB ARG 52 2HB ARG 52 15.638 -3.261 -3.939 411 1HG ARG 52 1HG ARG 52 15.793 -4.385 -1.083 412 2HG ARG 52 2HG ARG 52 16.929 -4.816 -2.384 413 1HD ARG 52 1HD ARG 52 16.513 -1.954 -1.306 414 2HD ARG 52 2HD ARG 52 17.883 -3.070 -0.934 415 HE ARG 52 HE ARG 52 17.212 -2.003 -3.720 416 1HH1 ARG 52 1HH1 ARG 52 19.810 -2.440 -1.332 417 2HH1 ARG 52 2HH1 ARG 52 21.005 -2.739 -2.569 418 1HH2 ARG 52 1HH2 ARG 52 18.797 -1.873 -5.147 419 2HH2 ARG 52 2HH2 ARG 52 20.470 -2.147 -4.740 420 H TYR 53 H TYR 53 12.963 -4.018 -4.762 421 HA TYR 53 HA TYR 53 13.067 -1.641 -6.284 422 1HB TYR 53 1HB TYR 53 11.619 -4.308 -6.819 423 2HB TYR 53 2HB TYR 53 11.947 -3.022 -8.044 424 HD1 TYR 53 HD1 TYR 53 14.546 -2.197 -7.900 425 HD2 TYR 53 HD2 TYR 53 13.034 -6.081 -7.063 426 HE1 TYR 53 HE1 TYR 53 16.709 -3.150 -8.458 427 HE2 TYR 53 HE2 TYR 53 15.204 -7.049 -7.629 428 HH TYR 53 HH TYR 53 17.232 -6.674 -8.447 429 H LYS 54 H LYS 54 10.377 -3.294 -4.558 430 HA LYS 54 HA LYS 54 8.544 -1.466 -5.802 431 1HB LYS 54 1HB LYS 54 8.038 -3.694 -3.834 432 2HB LYS 54 2HB LYS 54 6.801 -2.789 -4.747 433 1HG LYS 54 1HG LYS 54 9.017 -4.588 -5.909 434 2HG LYS 54 2HG LYS 54 7.308 -4.994 -5.792 435 1HD LYS 54 1HD LYS 54 8.583 -2.861 -7.576 436 2HD LYS 54 2HD LYS 54 7.923 -4.448 -8.060 437 1HE LYS 54 1HE LYS 54 5.599 -3.624 -7.236 438 2HE LYS 54 2HE LYS 54 6.349 -1.985 -7.090 439 1HZ LYS 54 1HZ LYS 54 5.953 -3.614 -9.535 440 2HZ LYS 54 2HZ LYS 54 6.973 -2.271 -9.528 441 3HZ LYS 54 3HZ LYS 54 5.350 -2.085 -9.193 442 H TRP 55 H TRP 55 10.368 -1.390 -2.848 443 HA TRP 55 HA TRP 55 8.909 0.797 -1.820 444 1HB TRP 55 1HB TRP 55 10.558 -0.561 -0.498 445 2HB TRP 55 2HB TRP 55 11.874 0.142 -1.488 446 HD1 TRP 55 HD1 TRP 55 9.485 1.035 1.466 447 HE1 TRP 55 HE1 TRP 55 9.533 3.559 1.811 448 HE3 TRP 55 HE3 TRP 55 13.080 2.261 -1.926 449 HZ2 TRP 55 HZ2 TRP 55 11.286 5.720 1.126 450 HZ3 TRP 55 HZ3 TRP 55 13.853 4.574 -2.035 451 HH2 TRP 55 HH2 TRP 55 12.997 6.261 -0.514 452 H GLU 56 H GLU 56 11.437 0.446 -4.364 453 HA GLU 56 HA GLU 56 11.741 3.234 -4.628 454 1HB GLU 56 1HB GLU 56 12.530 0.911 -6.405 455 2HB GLU 56 2HB GLU 56 12.796 2.626 -6.855 456 1HG GLU 56 1HG GLU 56 14.120 3.002 -4.762 457 2HG GLU 56 2HG GLU 56 13.878 1.281 -4.319 458 H ALA 57 H ALA 57 9.464 0.889 -5.903 459 HA ALA 57 HA ALA 57 8.294 2.629 -7.774 460 1HB ALA 57 1HB ALA 57 7.928 0.185 -7.910 461 2HB ALA 57 2HB ALA 57 6.342 0.987 -7.660 462 3HB ALA 57 3HB ALA 57 7.160 0.185 -6.288 463 H TRP 58 H TRP 58 8.100 2.453 -4.311 464 HA TRP 58 HA TRP 58 5.713 4.002 -4.177 465 1HB TRP 58 1HB TRP 58 6.081 2.330 -2.421 466 2HB TRP 58 2HB TRP 58 7.642 3.098 -1.978 467 HD1 TRP 58 HD1 TRP 58 4.373 5.137 -2.399 468 HE1 TRP 58 HE1 TRP 58 3.936 6.256 -0.068 469 HE3 TRP 58 HE3 TRP 58 7.593 2.436 0.328 470 HZ2 TRP 58 HZ2 TRP 58 4.975 6.076 2.449 471 HZ3 TRP 58 HZ3 TRP 58 7.516 2.652 2.783 472 HH2 TRP 58 HH2 TRP 58 6.270 4.382 3.838 473 H GLU 59 H GLU 59 9.202 4.395 -3.512 474 HA GLU 59 HA GLU 59 9.447 6.997 -2.884 475 1HB GLU 59 1HB GLU 59 11.184 5.329 -2.737 476 2HB GLU 59 2HB GLU 59 11.173 5.112 -4.513 477 1HG GLU 59 1HG GLU 59 13.170 6.292 -3.795 478 2HG GLU 59 2HG GLU 59 12.186 7.304 -4.898 479 H ASN 60 H ASN 60 9.024 5.661 -6.142 480 HA ASN 60 HA ASN 60 9.464 7.880 -7.684 481 1HB ASN 60 1HB ASN 60 8.923 5.540 -8.431 482 2HB ASN 60 2HB ASN 60 7.232 5.774 -7.889 483 1HD2 ASN 60 1HD2 ASN 60 5.866 6.246 -9.570 484 2HD2 ASN 60 2HD2 ASN 60 6.309 7.119 -11.013 485 H LEU 61 H LEU 61 6.838 7.294 -5.441 486 HA LEU 61 HA LEU 61 5.286 9.532 -6.506 487 1HB LEU 61 1HB LEU 61 4.525 7.391 -4.468 488 2HB LEU 61 2HB LEU 61 3.426 8.525 -5.301 489 HG LEU 61 HG LEU 61 4.980 6.219 -6.611 490 1HD1 LEU 61 1HD1 LEU 61 3.223 5.525 -5.032 491 2HD1 LEU 61 2HD1 LEU 61 2.622 5.267 -6.727 492 3HD1 LEU 61 3HD1 LEU 61 2.080 6.717 -5.752 493 1HD2 LEU 61 1HD2 LEU 61 4.591 8.092 -8.264 494 2HD2 LEU 61 2HD2 LEU 61 2.853 8.135 -7.794 495 3HD2 LEU 61 3HD2 LEU 61 3.524 6.677 -8.605 496 H LYS 62 H LYS 62 7.623 9.145 -4.197 497 HA LYS 62 HA LYS 62 7.002 9.155 -1.865 498 1HB LYS 62 1HB LYS 62 9.043 10.370 -1.303 499 2HB LYS 62 2HB LYS 62 9.239 9.325 -2.725 500 1HG LYS 62 1HG LYS 62 8.728 11.439 -4.158 501 2HG LYS 62 2HG LYS 62 9.000 12.404 -2.679 502 1HD LYS 62 1HD LYS 62 10.951 10.322 -3.837 503 2HD LYS 62 2HD LYS 62 10.942 12.039 -4.328 504 1HE LYS 62 1HE LYS 62 12.702 11.945 -2.787 505 2HE LYS 62 2HE LYS 62 11.355 12.683 -1.841 506 1HZ LYS 62 1HZ LYS 62 11.129 10.680 -0.605 507 2HZ LYS 62 2HZ LYS 62 12.805 10.784 -0.890 508 3HZ LYS 62 3HZ LYS 62 11.854 9.753 -1.781 509 H GLY 63 H GLY 63 6.075 12.308 -3.305 510 1HA GLY 63 1HA GLY 63 4.629 12.639 -0.865 511 2HA GLY 63 2HA GLY 63 5.945 13.855 -1.109 512 H LYS 64 H LYS 64 4.101 12.335 -3.710 513 HA LYS 64 HA LYS 64 2.941 15.002 -4.286 514 1HB LYS 64 1HB LYS 64 4.839 14.138 -5.776 515 2HB LYS 64 2HB LYS 64 3.739 12.808 -6.274 516 1HG LYS 64 1HG LYS 64 2.140 14.457 -7.180 517 2HG LYS 64 2HG LYS 64 3.173 15.808 -6.586 518 1HD LYS 64 1HD LYS 64 5.039 15.107 -8.036 519 2HD LYS 64 2HD LYS 64 4.148 13.657 -8.572 520 1HE LYS 64 1HE LYS 64 3.305 16.577 -9.182 521 2HE LYS 64 2HE LYS 64 4.158 15.446 -10.310 522 1HZ LYS 64 1HZ LYS 64 1.388 15.184 -9.222 523 2HZ LYS 64 2HZ LYS 64 2.196 13.898 -9.901 524 3HZ LYS 64 3HZ LYS 64 1.911 15.260 -10.825 525 H SER 65 H SER 65 2.562 11.468 -4.676 526 HA SER 65 HA SER 65 0.023 11.886 -5.882 527 1HB SER 65 1HB SER 65 1.752 9.459 -5.370 528 2HB SER 65 2HB SER 65 0.177 9.314 -6.186 529 HG SER 65 HG SER 65 0.896 10.579 -7.845 530 H GLN 66 H GLN 66 0.121 12.393 -2.858 531 HA GLN 66 HA GLN 66 -2.083 10.832 -2.041 532 1HB GLN 66 1HB GLN 66 -0.997 13.607 -1.401 533 2HB GLN 66 2HB GLN 66 -2.559 13.023 -0.702 534 1HG GLN 66 1HG GLN 66 -1.333 10.898 -0.014 535 2HG GLN 66 2HG GLN 66 0.223 11.732 -0.353 536 1HE2 GLN 66 1HE2 GLN 66 -1.952 10.975 2.029 537 2HE2 GLN 66 2HE2 GLN 66 -1.580 12.221 3.203 538 H GLU 67 H GLU 67 -1.610 12.880 -4.574 539 HA GLU 67 HA GLU 67 -4.365 13.609 -5.027 540 1HB GLU 67 1HB GLU 67 -1.731 13.930 -6.586 541 2HB GLU 67 2HB GLU 67 -3.298 14.612 -7.140 542 1HG GLU 67 1HG GLU 67 -3.383 16.016 -5.043 543 2HG GLU 67 2HG GLU 67 -1.795 15.336 -4.545 544 H ASP 68 H ASP 68 -2.013 11.185 -6.189 545 HA ASP 68 HA ASP 68 -4.062 10.140 -7.994 546 1HB ASP 68 1HB ASP 68 -1.135 9.234 -7.601 547 2HB ASP 68 2HB ASP 68 -2.263 8.668 -8.877 548 H ALA 69 H ALA 69 -2.000 8.817 -5.365 549 HA ALA 69 HA ALA 69 -2.684 6.341 -5.399 550 1HB ALA 69 1HB ALA 69 -2.352 8.076 -2.915 551 2HB ALA 69 2HB ALA 69 -1.078 7.243 -3.873 552 3HB ALA 69 3HB ALA 69 -2.272 6.268 -2.942 553 H GLU 70 H GLU 70 -4.557 8.746 -3.531 554 HA GLU 70 HA GLU 70 -6.684 7.419 -2.606 555 1HB GLU 70 1HB GLU 70 -7.988 9.434 -2.968 556 2HB GLU 70 2HB GLU 70 -6.415 9.653 -2.171 557 1HG GLU 70 1HG GLU 70 -5.541 10.974 -3.785 558 2HG GLU 70 2HG GLU 70 -6.229 10.035 -5.141 559 H LYS 71 H LYS 71 -6.452 8.362 -6.069 560 HA LYS 71 HA LYS 71 -9.183 7.558 -6.570 561 1HB LYS 71 1HB LYS 71 -8.824 9.716 -7.288 562 2HB LYS 71 2HB LYS 71 -7.103 9.471 -7.621 563 1HG LYS 71 1HG LYS 71 -9.245 8.293 -9.477 564 2HG LYS 71 2HG LYS 71 -8.734 9.997 -9.538 565 1HD LYS 71 1HD LYS 71 -6.253 8.977 -9.560 566 2HD LYS 71 2HD LYS 71 -7.097 7.514 -10.129 567 1HE LYS 71 1HE LYS 71 -6.302 8.680 -12.080 568 2HE LYS 71 2HE LYS 71 -8.096 8.895 -12.052 569 1HZ LYS 71 1HZ LYS 71 -6.152 10.881 -10.958 570 2HZ LYS 71 2HZ LYS 71 -7.787 11.116 -11.217 571 3HZ LYS 71 3HZ LYS 71 -6.731 10.903 -12.540 572 H GLU 72 H GLU 72 -5.864 6.690 -7.479 573 HA GLU 72 HA GLU 72 -6.860 4.784 -9.369 574 1HB GLU 72 1HB GLU 72 -4.079 5.237 -8.214 575 2HB GLU 72 2HB GLU 72 -4.496 3.989 -9.440 576 1HG GLU 72 1HG GLU 72 -5.537 6.042 -10.775 577 2HG GLU 72 2HG GLU 72 -4.472 7.045 -9.721 578 H TYR 73 H TYR 73 -6.131 4.706 -5.918 579 HA TYR 73 HA TYR 73 -5.723 2.007 -5.684 580 1HB TYR 73 1HB TYR 73 -5.279 3.804 -3.945 581 2HB TYR 73 2HB TYR 73 -7.041 3.871 -3.599 582 HD1 TYR 73 HD1 TYR 73 -4.090 1.626 -3.860 583 HD2 TYR 73 HD2 TYR 73 -7.841 2.340 -1.984 584 HE1 TYR 73 HE1 TYR 73 -3.557 -0.082 -2.185 585 HE2 TYR 73 HE2 TYR 73 -7.359 0.578 -0.375 586 HH TYR 73 HH TYR 73 -4.251 -1.201 -0.329 587 H ILE 74 H ILE 74 -8.874 3.802 -5.202 588 HA ILE 74 HA ILE 74 -10.292 1.576 -4.614 589 HB ILE 74 HB ILE 74 -11.015 3.793 -4.376 590 1HG1 ILE 74 1HG1 ILE 74 -12.944 2.054 -6.061 591 2HG1 ILE 74 2HG1 ILE 74 -12.579 1.796 -4.333 592 1HG2 ILE 74 1HG2 ILE 74 -11.609 3.839 -7.407 593 2HG2 ILE 74 2HG2 ILE 74 -10.297 4.754 -6.563 594 3HG2 ILE 74 3HG2 ILE 74 -12.013 5.114 -6.218 595 1HD1 ILE 74 1HD1 ILE 74 -13.951 4.303 -5.525 596 2HD1 ILE 74 2HD1 ILE 74 -13.628 3.997 -3.772 597 3HD1 ILE 74 3HD1 ILE 74 -14.763 2.941 -4.683 598 H ALA 75 H ALA 75 -9.582 2.625 -7.956 599 HA ALA 75 HA ALA 75 -11.250 0.580 -8.983 600 1HB ALA 75 1HB ALA 75 -10.275 1.290 -11.202 601 2HB ALA 75 2HB ALA 75 -9.009 2.231 -10.321 602 3HB ALA 75 3HB ALA 75 -10.738 2.709 -10.209 603 H LEU 76 H LEU 76 -8.041 0.392 -7.773 604 HA LEU 76 HA LEU 76 -7.499 -2.130 -9.090 605 1HB LEU 76 1HB LEU 76 -6.288 -0.869 -6.565 606 2HB LEU 76 2HB LEU 76 -5.677 -2.333 -7.392 607 HG LEU 76 HG LEU 76 -5.768 0.465 -8.650 608 1HD1 LEU 76 1HD1 LEU 76 -3.401 0.653 -8.005 609 2HD1 LEU 76 2HD1 LEU 76 -3.420 -1.015 -7.306 610 3HD1 LEU 76 3HD1 LEU 76 -4.391 0.283 -6.531 611 1HD2 LEU 76 1HD2 LEU 76 -5.669 -1.377 -10.342 612 2HD2 LEU 76 2HD2 LEU 76 -4.271 -2.113 -9.468 613 3HD2 LEU 76 3HD2 LEU 76 -4.095 -0.500 -10.252 614 H VAL 77 H VAL 77 -8.454 -0.941 -5.860 615 HA VAL 77 HA VAL 77 -8.469 -3.454 -4.619 616 HB VAL 77 HB VAL 77 -9.120 -0.636 -3.890 617 1HG1 VAL 77 1HG1 VAL 77 -9.785 -3.214 -2.331 618 2HG1 VAL 77 2HG1 VAL 77 -10.836 -1.778 -2.601 619 3HG1 VAL 77 3HG1 VAL 77 -9.393 -1.660 -1.511 620 1HG2 VAL 77 1HG2 VAL 77 -7.199 -2.922 -3.079 621 2HG2 VAL 77 2HG2 VAL 77 -7.230 -1.321 -2.286 622 3HG2 VAL 77 3HG2 VAL 77 -6.750 -1.438 -4.030 623 H ASP 78 H ASP 78 -11.071 -1.636 -6.333 624 HA ASP 78 HA ASP 78 -13.081 -3.156 -5.240 625 1HB ASP 78 1HB ASP 78 -13.189 -1.049 -6.728 626 2HB ASP 78 2HB ASP 78 -12.951 -2.169 -8.138 627 H GLN 79 H GLN 79 -10.804 -3.881 -7.816 628 HA GLN 79 HA GLN 79 -12.107 -6.250 -8.722 629 1HB GLN 79 1HB GLN 79 -9.228 -5.308 -9.134 630 2HB GLN 79 2HB GLN 79 -10.074 -6.588 -10.053 631 1HG GLN 79 1HG GLN 79 -11.689 -4.900 -10.952 632 2HG GLN 79 2HG GLN 79 -10.868 -3.591 -10.038 633 1HE2 GLN 79 1HE2 GLN 79 -8.791 -2.878 -10.726 634 2HE2 GLN 79 2HE2 GLN 79 -8.094 -3.366 -12.251 635 H LEU 80 H LEU 80 -9.747 -5.406 -6.293 636 HA LEU 80 HA LEU 80 -8.835 -8.059 -5.665 637 1HB LEU 80 1HB LEU 80 -8.693 -5.468 -4.077 638 2HB LEU 80 2HB LEU 80 -7.865 -7.001 -3.715 639 HG LEU 80 HG LEU 80 -7.316 -5.079 -6.013 640 1HD1 LEU 80 1HD1 LEU 80 -6.174 -4.679 -3.842 641 2HD1 LEU 80 2HD1 LEU 80 -5.004 -5.257 -5.091 642 3HD1 LEU 80 3HD1 LEU 80 -5.588 -6.384 -3.804 643 1HD2 LEU 80 1HD2 LEU 80 -7.293 -7.226 -7.178 644 2HD2 LEU 80 2HD2 LEU 80 -6.367 -8.006 -5.843 645 3HD2 LEU 80 3HD2 LEU 80 -5.602 -6.731 -6.864 646 H ILE 81 H ILE 81 -11.222 -5.797 -4.145 647 HA ILE 81 HA ILE 81 -11.979 -7.672 -2.253 648 HB ILE 81 HB ILE 81 -13.125 -5.219 -3.446 649 1HG1 ILE 81 1HG1 ILE 81 -12.097 -5.870 -0.621 650 2HG1 ILE 81 2HG1 ILE 81 -11.140 -5.119 -1.938 651 1HG2 ILE 81 1HG2 ILE 81 -15.176 -6.533 -2.768 652 2HG2 ILE 81 2HG2 ILE 81 -14.920 -5.199 -1.617 653 3HG2 ILE 81 3HG2 ILE 81 -14.433 -6.863 -1.153 654 1HD1 ILE 81 1HD1 ILE 81 -11.894 -3.358 -0.420 655 2HD1 ILE 81 2HD1 ILE 81 -13.608 -3.880 -0.557 656 3HD1 ILE 81 3HD1 ILE 81 -12.766 -3.177 -1.988 657 H ALA 82 H ALA 82 -13.219 -7.136 -5.559 658 HA ALA 82 HA ALA 82 -15.274 -8.975 -5.429 659 1HB ALA 82 1HB ALA 82 -15.031 -9.059 -7.912 660 2HB ALA 82 2HB ALA 82 -13.428 -8.244 -7.765 661 3HB ALA 82 3HB ALA 82 -14.933 -7.380 -7.283 662 H LYS 83 H LYS 83 -11.824 -9.719 -5.351 663 HA LYS 83 HA LYS 83 -12.367 -12.533 -5.804 664 1HB LYS 83 1HB LYS 83 -9.825 -11.034 -4.978 665 2HB LYS 83 2HB LYS 83 -9.943 -12.780 -5.359 666 1HG LYS 83 1HG LYS 83 -10.378 -12.237 -7.741 667 2HG LYS 83 2HG LYS 83 -10.524 -10.502 -7.331 668 1HD LYS 83 1HD LYS 83 -8.384 -10.717 -8.261 669 2HD LYS 83 2HD LYS 83 -8.144 -10.493 -6.499 670 1HE LYS 83 1HE LYS 83 -7.748 -13.015 -6.282 671 2HE LYS 83 2HE LYS 83 -7.992 -13.160 -8.066 672 1HZ LYS 83 1HZ LYS 83 -5.763 -13.012 -7.851 673 2HZ LYS 83 2HZ LYS 83 -5.765 -11.870 -6.592 674 3HZ LYS 83 3HZ LYS 83 -6.131 -11.397 -8.168 675 H TYR 84 H TYR 84 -11.484 -10.090 -3.358 676 HA TYR 84 HA TYR 84 -10.805 -12.204 -1.595 677 1HB TYR 84 1HB TYR 84 -10.288 -9.182 -1.538 678 2HB TYR 84 2HB TYR 84 -9.602 -10.340 -0.372 679 HD1 TYR 84 HD1 TYR 84 -8.217 -8.411 -2.213 680 HD2 TYR 84 HD2 TYR 84 -9.014 -12.561 -2.593 681 HE1 TYR 84 HE1 TYR 84 -6.214 -8.656 -3.540 682 HE2 TYR 84 HE2 TYR 84 -7.030 -12.826 -3.950 683 HH TYR 84 HH TYR 84 -4.959 -10.077 -4.791 684 H SER 85 H SER 85 -13.507 -10.023 -1.621 685 HA SER 85 HA SER 85 -14.035 -9.805 1.017 686 1HB SER 85 1HB SER 85 -15.454 -8.888 -0.815 687 2HB SER 85 2HB SER 85 -16.076 -10.527 -1.144 688 HG SER 85 HG SER 85 -17.487 -9.517 0.175 689 H SER 86 H SER 86 -15.032 -12.667 -0.949 690 HA SER 86 HA SER 86 -14.203 -14.340 1.126 691 1HB SER 86 1HB SER 86 -16.508 -13.743 2.020 692 2HB SER 86 2HB SER 86 -17.218 -14.397 0.511 693 HG SER 86 HG SER 86 -17.164 -15.818 2.326 Start of MODEL 3 1 1H VAL 1 1H VAL 1 -11.215 9.655 -3.372 2 2H VAL 1 2H VAL 1 -10.074 8.555 -2.833 3 3H VAL 1 3H VAL 1 -9.907 10.209 -2.462 4 HA VAL 1 HA VAL 1 -11.555 10.253 -0.967 5 HB VAL 1 HB VAL 1 -13.239 9.337 -2.265 6 1HG1 VAL 1 1HG1 VAL 1 -11.942 6.571 -1.855 7 2HG1 VAL 1 2HG1 VAL 1 -12.168 7.457 -3.402 8 3HG1 VAL 1 3HG1 VAL 1 -13.595 6.871 -2.495 9 1HG2 VAL 1 1HG2 VAL 1 -13.049 7.793 0.391 10 2HG2 VAL 1 2HG2 VAL 1 -14.526 8.133 -0.567 11 3HG2 VAL 1 3HG2 VAL 1 -13.620 9.494 0.180 12 H SER 2 H SER 2 -10.171 10.383 0.680 13 HA SER 2 HA SER 2 -8.263 8.555 1.333 14 1HB SER 2 1HB SER 2 -8.037 10.049 3.394 15 2HB SER 2 2HB SER 2 -7.936 10.870 1.803 16 HG SER 2 HG SER 2 -9.289 11.920 3.319 17 H GLN 3 H GLN 3 -11.474 9.164 2.854 18 HA GLN 3 HA GLN 3 -10.854 7.574 5.028 19 1HB GLN 3 1HB GLN 3 -13.553 8.439 3.889 20 2HB GLN 3 2HB GLN 3 -13.380 7.580 5.456 21 1HG GLN 3 1HG GLN 3 -11.965 9.391 6.372 22 2HG GLN 3 2HG GLN 3 -12.019 10.271 4.810 23 1HE2 GLN 3 1HE2 GLN 3 -12.954 12.098 5.826 24 2HE2 GLN 3 2HE2 GLN 3 -14.591 12.109 6.426 25 H LEU 4 H LEU 4 -12.344 6.813 1.949 26 HA LEU 4 HA LEU 4 -13.139 4.173 2.530 27 1HB LEU 4 1HB LEU 4 -13.922 5.492 0.482 28 2HB LEU 4 2HB LEU 4 -12.223 5.436 -0.131 29 HG LEU 4 HG LEU 4 -12.256 3.016 -0.195 30 1HD1 LEU 4 1HD1 LEU 4 -14.020 2.455 1.535 31 2HD1 LEU 4 2HD1 LEU 4 -14.519 1.794 -0.071 32 3HD1 LEU 4 3HD1 LEU 4 -15.265 3.307 0.545 33 1HD2 LEU 4 1HD2 LEU 4 -12.895 4.369 -2.207 34 2HD2 LEU 4 2HD2 LEU 4 -14.629 4.307 -1.716 35 3HD2 LEU 4 3HD2 LEU 4 -13.776 2.791 -2.188 36 H PHE 5 H PHE 5 -10.247 5.660 1.103 37 HA PHE 5 HA PHE 5 -8.764 3.473 0.534 38 1HB PHE 5 1HB PHE 5 -7.904 5.470 -0.280 39 2HB PHE 5 2HB PHE 5 -8.274 6.362 1.214 40 HD1 PHE 5 HD1 PHE 5 -5.769 4.415 -0.534 41 HD2 PHE 5 HD2 PHE 5 -6.809 6.232 3.163 42 HE1 PHE 5 HE1 PHE 5 -3.512 4.040 0.275 43 HE2 PHE 5 HE2 PHE 5 -4.559 5.821 4.009 44 HZ PHE 5 HZ PHE 5 -2.945 4.599 2.639 45 H GLU 6 H GLU 6 -9.198 4.975 3.672 46 HA GLU 6 HA GLU 6 -7.242 3.188 4.850 47 1HB GLU 6 1HB GLU 6 -8.935 5.427 5.964 48 2HB GLU 6 2HB GLU 6 -8.304 4.182 7.089 49 1HG GLU 6 1HG GLU 6 -5.991 4.514 6.092 50 2HG GLU 6 2HG GLU 6 -6.625 5.982 5.260 51 H GLU 7 H GLU 7 -10.753 3.298 4.675 52 HA GLU 7 HA GLU 7 -11.267 1.182 6.429 53 1HB GLU 7 1HB GLU 7 -12.987 2.734 5.702 54 2HB GLU 7 2HB GLU 7 -12.659 2.366 3.996 55 1HG GLU 7 1HG GLU 7 -14.738 1.352 4.555 56 2HG GLU 7 2HG GLU 7 -13.565 0.025 4.307 57 H LYS 8 H LYS 8 -10.813 1.170 2.838 58 HA LYS 8 HA LYS 8 -10.958 -1.687 2.866 59 1HB LYS 8 1HB LYS 8 -10.383 0.197 0.547 60 2HB LYS 8 2HB LYS 8 -10.817 -1.548 0.458 61 1HG LYS 8 1HG LYS 8 -12.619 0.713 1.465 62 2HG LYS 8 2HG LYS 8 -12.700 -0.089 -0.130 63 1HD LYS 8 1HD LYS 8 -13.217 -2.277 1.013 64 2HD LYS 8 2HD LYS 8 -13.171 -1.420 2.594 65 1HE LYS 8 1HE LYS 8 -15.070 0.036 1.907 66 2HE LYS 8 2HE LYS 8 -15.132 -0.763 0.289 67 1HZ LYS 8 1HZ LYS 8 -16.558 -1.464 2.426 68 2HZ LYS 8 2HZ LYS 8 -15.323 -2.608 2.547 69 3HZ LYS 8 3HZ LYS 8 -16.256 -2.474 1.145 70 H ALA 9 H ALA 9 -8.146 0.629 2.887 71 HA ALA 9 HA ALA 9 -6.445 -1.206 1.759 72 1HB ALA 9 1HB ALA 9 -5.921 0.975 3.900 73 2HB ALA 9 2HB ALA 9 -5.816 1.195 2.115 74 3HB ALA 9 3HB ALA 9 -4.671 0.084 2.927 75 H LYS 10 H LYS 10 -7.238 -0.485 5.107 76 HA LYS 10 HA LYS 10 -5.689 -2.495 6.334 77 1HB LYS 10 1HB LYS 10 -8.019 -0.675 6.957 78 2HB LYS 10 2HB LYS 10 -7.402 -1.849 8.207 79 1HG LYS 10 1HG LYS 10 -5.064 -0.804 7.803 80 2HG LYS 10 2HG LYS 10 -5.876 0.521 6.927 81 1HD LYS 10 1HD LYS 10 -6.425 -0.348 9.836 82 2HD LYS 10 2HD LYS 10 -5.349 0.996 9.339 83 1HE LYS 10 1HE LYS 10 -7.261 2.256 8.378 84 2HE LYS 10 2HE LYS 10 -8.399 0.908 8.785 85 1HZ LYS 10 1HZ LYS 10 -6.719 2.333 10.793 86 2HZ LYS 10 2HZ LYS 10 -7.958 1.238 11.101 87 3HZ LYS 10 3HZ LYS 10 -8.314 2.743 10.439 88 H ALA 11 H ALA 11 -8.705 -2.676 4.595 89 HA ALA 11 HA ALA 11 -9.377 -5.245 5.696 90 1HB ALA 11 1HB ALA 11 -11.150 -3.864 4.590 91 2HB ALA 11 2HB ALA 11 -10.913 -5.466 3.796 92 3HB ALA 11 3HB ALA 11 -10.254 -3.986 3.031 93 H VAL 12 H VAL 12 -7.889 -4.125 2.520 94 HA VAL 12 HA VAL 12 -7.624 -6.740 1.746 95 HB VAL 12 HB VAL 12 -6.354 -5.934 -0.159 96 1HG1 VAL 12 1HG1 VAL 12 -8.183 -4.697 -1.122 97 2HG1 VAL 12 2HG1 VAL 12 -8.848 -4.264 0.500 98 3HG1 VAL 12 3HG1 VAL 12 -8.844 -5.983 -0.050 99 1HG2 VAL 12 1HG2 VAL 12 -5.033 -4.060 0.922 100 2HG2 VAL 12 2HG2 VAL 12 -6.569 -3.166 1.204 101 3HG2 VAL 12 3HG2 VAL 12 -6.017 -3.478 -0.464 102 H ASN 13 H ASN 13 -5.395 -4.747 3.544 103 HA ASN 13 HA ASN 13 -3.191 -6.496 3.000 104 1HB ASN 13 1HB ASN 13 -3.672 -4.234 5.020 105 2HB ASN 13 2HB ASN 13 -2.179 -5.232 5.075 106 1HD2 ASN 13 1HD2 ASN 13 -3.913 -2.777 3.177 107 2HD2 ASN 13 2HD2 ASN 13 -2.505 -2.361 2.218 108 H GLU 14 H GLU 14 -5.912 -6.893 4.961 109 HA GLU 14 HA GLU 14 -4.605 -9.127 6.297 110 1HB GLU 14 1HB GLU 14 -6.340 -7.071 7.734 111 2HB GLU 14 2HB GLU 14 -5.712 -8.601 8.427 112 1HG GLU 14 1HG GLU 14 -3.349 -7.748 8.006 113 2HG GLU 14 2HG GLU 14 -4.056 -6.152 7.573 114 H LEU 15 H LEU 15 -6.569 -8.815 3.977 115 HA LEU 15 HA LEU 15 -8.983 -9.881 4.915 116 1HB LEU 15 1HB LEU 15 -7.560 -9.284 2.352 117 2HB LEU 15 2HB LEU 15 -8.759 -10.581 2.195 118 HG LEU 15 HG LEU 15 -9.287 -7.721 3.107 119 1HD1 LEU 15 1HD1 LEU 15 -8.844 -8.142 0.612 120 2HD1 LEU 15 2HD1 LEU 15 -10.478 -7.481 0.987 121 3HD1 LEU 15 3HD1 LEU 15 -10.274 -9.229 0.603 122 1HD2 LEU 15 1HD2 LEU 15 -11.386 -9.936 2.705 123 2HD2 LEU 15 2HD2 LEU 15 -11.697 -8.205 3.040 124 3HD2 LEU 15 3HD2 LEU 15 -10.914 -9.215 4.302 125 HA PRO 16 HA PRO 16 -7.733 -14.038 5.189 126 1HB PRO 16 1HB PRO 16 -9.755 -15.609 4.170 127 2HB PRO 16 2HB PRO 16 -9.970 -14.612 5.660 128 1HG PRO 16 1HG PRO 16 -10.867 -13.925 2.811 129 2HG PRO 16 2HG PRO 16 -11.787 -13.733 4.362 130 1HD PRO 16 1HD PRO 16 -10.277 -11.734 3.053 131 2HD PRO 16 2HD PRO 16 -10.628 -11.685 4.851 132 H THR 17 H THR 17 -8.765 -13.000 1.941 133 HA THR 17 HA THR 17 -6.842 -14.859 0.743 134 HB THR 17 HB THR 17 -8.992 -13.107 -0.462 135 HG1 THR 17 HG1 THR 17 -10.064 -14.994 -0.756 136 1HG2 THR 17 1HG2 THR 17 -8.599 -14.374 -2.547 137 2HG2 THR 17 2HG2 THR 17 -7.337 -15.402 -1.754 138 3HG2 THR 17 3HG2 THR 17 -7.049 -13.639 -2.044 139 H LYS 18 H LYS 18 -5.271 -13.549 1.902 140 HA LYS 18 HA LYS 18 -4.836 -10.932 1.543 141 1HB LYS 18 1HB LYS 18 -2.771 -13.157 1.921 142 2HB LYS 18 2HB LYS 18 -2.416 -11.420 2.157 143 1HG LYS 18 1HG LYS 18 -4.366 -11.332 3.813 144 2HG LYS 18 2HG LYS 18 -4.411 -13.120 3.756 145 1HD LYS 18 1HD LYS 18 -1.973 -13.134 4.485 146 2HD LYS 18 2HD LYS 18 -2.042 -11.343 4.592 147 1HE LYS 18 1HE LYS 18 -3.998 -11.620 6.271 148 2HE LYS 18 2HE LYS 18 -3.639 -13.395 6.279 149 1HZ LYS 18 1HZ LYS 18 -1.819 -11.174 7.023 150 2HZ LYS 18 2HZ LYS 18 -1.329 -12.786 6.915 151 3HZ LYS 18 3HZ LYS 18 -2.509 -12.303 8.061 152 HA PRO 19 HA PRO 19 -3.991 -10.010 -2.314 153 1HB PRO 19 1HB PRO 19 -1.582 -8.291 -1.710 154 2HB PRO 19 2HB PRO 19 -3.133 -7.838 -2.516 155 1HG PRO 19 1HG PRO 19 -2.657 -7.123 0.115 156 2HG PRO 19 2HG PRO 19 -4.285 -7.746 -0.366 157 1HD PRO 19 1HD PRO 19 -1.950 -9.350 0.841 158 2HD PRO 19 2HD PRO 19 -3.681 -9.267 1.394 159 H SER 20 H SER 20 -2.993 -10.844 -4.245 160 HA SER 20 HA SER 20 -0.910 -12.668 -3.796 161 1HB SER 20 1HB SER 20 -2.766 -12.926 -5.479 162 2HB SER 20 2HB SER 20 -1.906 -11.760 -6.531 163 HG SER 20 HG SER 20 -1.502 -14.164 -6.692 164 H THR 21 H THR 21 1.053 -12.801 -5.249 165 HA THR 21 HA THR 21 2.678 -11.149 -3.916 166 HB THR 21 HB THR 21 3.544 -12.555 -6.455 167 HG1 THR 21 HG1 THR 21 3.813 -14.287 -5.174 168 1HG2 THR 21 1HG2 THR 21 5.637 -12.874 -5.042 169 2HG2 THR 21 2HG2 THR 21 4.905 -11.868 -3.743 170 3HG2 THR 21 3HG2 THR 21 5.305 -11.132 -5.340 171 H ASP 22 H ASP 22 2.168 -10.860 -7.468 172 HA ASP 22 HA ASP 22 3.768 -8.510 -7.570 173 1HB ASP 22 1HB ASP 22 1.974 -9.968 -9.600 174 2HB ASP 22 2HB ASP 22 2.931 -8.494 -9.989 175 H GLU 23 H GLU 23 0.540 -9.059 -6.711 176 HA GLU 23 HA GLU 23 -0.479 -6.546 -7.721 177 1HB GLU 23 1HB GLU 23 -1.840 -8.634 -5.943 178 2HB GLU 23 2HB GLU 23 -2.610 -7.230 -6.750 179 1HG GLU 23 1HG GLU 23 -1.894 -8.221 -8.994 180 2HG GLU 23 2HG GLU 23 -1.323 -9.679 -8.117 181 H LEU 24 H LEU 24 0.238 -8.133 -4.589 182 HA LEU 24 HA LEU 24 -0.221 -6.259 -2.788 183 1HB LEU 24 1HB LEU 24 0.450 -8.623 -2.526 184 2HB LEU 24 2HB LEU 24 2.079 -8.249 -3.148 185 HG LEU 24 HG LEU 24 2.608 -6.945 -1.128 186 1HD1 LEU 24 1HD1 LEU 24 -0.257 -7.608 -0.188 187 2HD1 LEU 24 2HD1 LEU 24 0.358 -5.961 -0.608 188 3HD1 LEU 24 3HD1 LEU 24 1.030 -6.837 0.816 189 1HD2 LEU 24 1HD2 LEU 24 2.538 -8.872 0.484 190 2HD2 LEU 24 2HD2 LEU 24 2.887 -9.445 -1.203 191 3HD2 LEU 24 3HD2 LEU 24 1.239 -9.646 -0.516 192 H LEU 25 H LEU 25 2.572 -6.273 -5.036 193 HA LEU 25 HA LEU 25 3.928 -4.307 -3.521 194 1HB LEU 25 1HB LEU 25 5.662 -4.709 -4.852 195 2HB LEU 25 2HB LEU 25 4.684 -6.150 -5.275 196 HG LEU 25 HG LEU 25 3.789 -4.631 -7.268 197 1HD1 LEU 25 1HD1 LEU 25 4.906 -2.477 -6.478 198 2HD1 LEU 25 2HD1 LEU 25 5.519 -3.006 -8.081 199 3HD1 LEU 25 3HD1 LEU 25 6.498 -3.282 -6.581 200 1HD2 LEU 25 1HD2 LEU 25 6.619 -5.825 -7.182 201 2HD2 LEU 25 2HD2 LEU 25 5.660 -5.451 -8.675 202 3HD2 LEU 25 3HD2 LEU 25 5.073 -6.699 -7.506 203 H GLU 26 H GLU 26 1.739 -4.117 -6.310 204 HA GLU 26 HA GLU 26 2.126 -1.313 -6.663 205 1HB GLU 26 1HB GLU 26 1.400 -2.855 -8.472 206 2HB GLU 26 2HB GLU 26 -0.089 -3.241 -7.569 207 1HG GLU 26 1HG GLU 26 -0.866 -0.870 -7.783 208 2HG GLU 26 2HG GLU 26 0.679 -0.420 -8.585 209 H LEU 27 H LEU 27 -0.127 -3.433 -4.990 210 HA LEU 27 HA LEU 27 -1.828 -1.536 -3.941 211 1HB LEU 27 1HB LEU 27 -2.166 -3.979 -4.122 212 2HB LEU 27 2HB LEU 27 -0.907 -4.270 -2.895 213 HG LEU 27 HG LEU 27 -3.408 -4.459 -2.241 214 1HD1 LEU 27 1HD1 LEU 27 -1.451 -4.410 -0.632 215 2HD1 LEU 27 2HD1 LEU 27 -2.971 -3.724 0.061 216 3HD1 LEU 27 3HD1 LEU 27 -1.641 -2.632 -0.483 217 1HD2 LEU 27 1HD2 LEU 27 -4.608 -2.436 -1.599 218 2HD2 LEU 27 2HD2 LEU 27 -4.194 -2.432 -3.353 219 3HD2 LEU 27 3HD2 LEU 27 -3.249 -1.402 -2.211 220 H TYR 28 H TYR 28 1.186 -2.866 -2.512 221 HA TYR 28 HA TYR 28 1.357 -1.330 -0.284 222 1HB TYR 28 1HB TYR 28 2.865 -3.178 -0.723 223 2HB TYR 28 2HB TYR 28 3.516 -2.370 -2.172 224 HD1 TYR 28 HD1 TYR 28 4.839 -0.247 -1.910 225 HD2 TYR 28 HD2 TYR 28 3.950 -2.852 1.337 226 HE1 TYR 28 HE1 TYR 28 6.681 0.670 -0.720 227 HE2 TYR 28 HE2 TYR 28 5.948 -2.068 2.488 228 HH TYR 28 HH TYR 28 8.069 -1.031 1.950 229 H ALA 29 H ALA 29 2.762 -0.399 -3.506 230 HA ALA 29 HA ALA 29 3.759 1.997 -2.778 231 1HB ALA 29 1HB ALA 29 2.379 1.226 -5.419 232 2HB ALA 29 2HB ALA 29 4.084 0.866 -4.977 233 3HB ALA 29 3HB ALA 29 3.564 2.572 -5.206 234 H LEU 30 H LEU 30 0.414 1.498 -3.903 235 HA LEU 30 HA LEU 30 -0.203 4.252 -3.537 236 1HB LEU 30 1HB LEU 30 -1.772 1.703 -4.148 237 2HB LEU 30 2HB LEU 30 -2.588 3.291 -3.894 238 HG LEU 30 HG LEU 30 -2.336 2.791 -6.193 239 1HD1 LEU 30 1HD1 LEU 30 -1.517 5.033 -6.910 240 2HD1 LEU 30 2HD1 LEU 30 -0.849 5.278 -5.241 241 3HD1 LEU 30 3HD1 LEU 30 -2.645 4.952 -5.493 242 1HD2 LEU 30 1HD2 LEU 30 -0.262 3.057 -7.498 243 2HD2 LEU 30 2HD2 LEU 30 -0.172 1.606 -6.444 244 3HD2 LEU 30 3HD2 LEU 30 0.727 3.119 -5.995 245 H TYR 31 H TYR 31 -0.772 1.350 -1.594 246 HA TYR 31 HA TYR 31 -2.366 2.443 0.358 247 1HB TYR 31 1HB TYR 31 -2.067 0.072 0.237 248 2HB TYR 31 2HB TYR 31 -0.309 0.231 0.564 249 HD1 TYR 31 HD1 TYR 31 -3.217 2.031 2.263 250 HD2 TYR 31 HD2 TYR 31 0.025 -0.723 2.549 251 HE1 TYR 31 HE1 TYR 31 -3.559 1.928 4.602 252 HE2 TYR 31 HE2 TYR 31 -0.356 -0.886 4.969 253 HH TYR 31 HH TYR 31 -2.524 1.309 6.583 254 H LYS 32 H LYS 32 1.179 1.916 0.515 255 HA LYS 32 HA LYS 32 1.690 3.456 2.745 256 1HB LYS 32 1HB LYS 32 3.530 2.774 0.408 257 2HB LYS 32 2HB LYS 32 4.079 3.382 1.975 258 1HG LYS 32 1HG LYS 32 2.716 0.682 1.450 259 2HG LYS 32 2HG LYS 32 4.425 1.020 1.800 260 1HD LYS 32 1HD LYS 32 2.046 1.218 3.726 261 2HD LYS 32 2HD LYS 32 3.461 0.116 3.756 262 1HE LYS 32 1HE LYS 32 4.920 2.271 4.034 263 2HE LYS 32 2HE LYS 32 3.356 3.122 4.382 264 1HZ LYS 32 1HZ LYS 32 4.683 0.948 5.938 265 2HZ LYS 32 2HZ LYS 32 3.042 1.255 6.104 266 3HZ LYS 32 3HZ LYS 32 4.175 2.468 6.437 267 H GLN 33 H GLN 33 1.539 4.468 -0.671 268 HA GLN 33 HA GLN 33 2.351 7.026 -0.238 269 1HB GLN 33 1HB GLN 33 0.736 5.747 -2.404 270 2HB GLN 33 2HB GLN 33 0.288 7.414 -2.169 271 1HG GLN 33 1HG GLN 33 3.067 6.379 -2.779 272 2HG GLN 33 2HG GLN 33 1.982 7.425 -3.790 273 1HE2 GLN 33 1HE2 GLN 33 1.327 9.519 -2.090 274 2HE2 GLN 33 2HE2 GLN 33 2.792 10.277 -1.481 275 H ALA 34 H ALA 34 -1.123 6.114 -0.071 276 HA ALA 34 HA ALA 34 -1.576 8.824 0.926 277 1HB ALA 34 1HB ALA 34 -3.425 6.632 0.028 278 2HB ALA 34 2HB ALA 34 -3.308 8.342 -0.504 279 3HB ALA 34 3HB ALA 34 -4.047 7.966 1.083 280 H THR 35 H THR 35 -0.766 5.809 2.387 281 HA THR 35 HA THR 35 -1.811 6.347 4.888 282 HB THR 35 HB THR 35 0.727 4.906 4.083 283 HG1 THR 35 HG1 THR 35 -1.096 3.851 3.478 284 1HG2 THR 35 1HG2 THR 35 0.966 5.636 6.458 285 2HG2 THR 35 2HG2 THR 35 0.505 3.895 6.393 286 3HG2 THR 35 3HG2 THR 35 -0.744 5.140 6.796 287 H VAL 36 H VAL 36 1.621 6.979 3.772 288 HA VAL 36 HA VAL 36 1.793 8.955 5.889 289 HB VAL 36 HB VAL 36 4.197 9.083 5.208 290 1HG1 VAL 36 1HG1 VAL 36 3.267 7.949 7.260 291 2HG1 VAL 36 2HG1 VAL 36 4.686 7.077 6.567 292 3HG1 VAL 36 3HG1 VAL 36 3.031 6.436 6.301 293 1HG2 VAL 36 1HG2 VAL 36 3.562 6.330 3.933 294 2HG2 VAL 36 2HG2 VAL 36 5.129 7.174 4.010 295 3HG2 VAL 36 3HG2 VAL 36 3.843 7.798 2.935 296 H GLY 37 H GLY 37 2.190 8.899 2.312 297 1HA GLY 37 1HA GLY 37 1.360 10.652 1.122 298 2HA GLY 37 2HA GLY 37 1.975 11.827 2.357 299 H ASP 38 H ASP 38 4.524 10.235 2.508 300 HA ASP 38 HA ASP 38 5.692 10.953 -0.097 301 1HB ASP 38 1HB ASP 38 6.938 10.958 2.733 302 2HB ASP 38 2HB ASP 38 7.825 11.361 1.217 303 H ASN 39 H ASN 39 7.714 9.565 -0.547 304 HA ASN 39 HA ASN 39 7.461 6.894 0.383 305 1HB ASN 39 1HB ASN 39 9.479 6.401 -0.838 306 2HB ASN 39 2HB ASN 39 8.291 7.292 -1.838 307 1HD2 ASN 39 1HD2 ASN 39 11.285 6.980 -2.041 308 2HD2 ASN 39 2HD2 ASN 39 11.920 8.603 -2.028 309 H ASP 40 H ASP 40 7.296 7.534 2.622 310 HA ASP 40 HA ASP 40 9.390 8.919 3.795 311 1HB ASP 40 1HB ASP 40 6.812 8.822 4.251 312 2HB ASP 40 2HB ASP 40 7.191 7.463 5.362 313 H LYS 41 H LYS 41 8.641 5.407 4.001 314 HA LYS 41 HA LYS 41 10.564 5.165 6.151 315 1HB LYS 41 1HB LYS 41 9.075 3.022 4.561 316 2HB LYS 41 2HB LYS 41 9.939 2.777 6.092 317 1HG LYS 41 1HG LYS 41 7.419 4.544 5.743 318 2HG LYS 41 2HG LYS 41 7.485 2.842 6.270 319 1HD LYS 41 1HD LYS 41 7.347 3.883 8.307 320 2HD LYS 41 2HD LYS 41 9.110 3.662 8.156 321 1HE LYS 41 1HE LYS 41 9.262 6.147 7.436 322 2HE LYS 41 2HE LYS 41 7.485 6.266 7.693 323 1HZ LYS 41 1HZ LYS 41 9.591 5.620 9.693 324 2HZ LYS 41 2HZ LYS 41 7.969 5.452 10.040 325 3HZ LYS 41 3HZ LYS 41 8.632 6.971 9.676 326 H GLU 42 H GLU 42 12.436 5.953 5.024 327 HA GLU 42 HA GLU 42 13.349 4.560 2.745 328 1HB GLU 42 1HB GLU 42 13.469 7.052 3.442 329 2HB GLU 42 2HB GLU 42 14.909 6.592 4.378 330 1HG GLU 42 1HG GLU 42 15.951 5.719 2.200 331 2HG GLU 42 2HG GLU 42 14.489 6.254 1.307 332 H LYS 43 H LYS 43 13.123 2.679 4.584 333 HA LYS 43 HA LYS 43 15.766 1.563 4.407 334 1HB LYS 43 1HB LYS 43 15.880 2.608 6.628 335 2HB LYS 43 2HB LYS 43 14.474 1.648 7.167 336 1HG LYS 43 1HG LYS 43 15.761 -0.450 6.829 337 2HG LYS 43 2HG LYS 43 17.100 0.466 6.061 338 1HD LYS 43 1HD LYS 43 17.494 1.694 8.188 339 2HD LYS 43 2HD LYS 43 16.217 0.729 9.000 340 1HE LYS 43 1HE LYS 43 17.515 -1.360 8.700 341 2HE LYS 43 2HE LYS 43 18.719 -0.504 7.661 342 1HZ LYS 43 1HZ LYS 43 19.124 0.960 9.641 343 2HZ LYS 43 2HZ LYS 43 19.644 -0.642 9.801 344 3HZ LYS 43 3HZ LYS 43 18.230 -0.109 10.568 345 HA PRO 44 HA PRO 44 12.514 -1.554 3.912 346 1HB PRO 44 1HB PRO 44 13.127 -2.481 1.426 347 2HB PRO 44 2HB PRO 44 12.289 -0.890 1.685 348 1HG PRO 44 1HG PRO 44 15.296 -1.360 1.251 349 2HG PRO 44 2HG PRO 44 14.207 -0.249 0.312 350 1HD PRO 44 1HD PRO 44 15.715 0.595 2.508 351 2HD PRO 44 2HD PRO 44 14.073 1.300 2.137 352 H GLY 45 H GLY 45 13.050 -4.013 3.266 353 1HA GLY 45 1HA GLY 45 14.311 -4.718 5.542 354 2HA GLY 45 2HA GLY 45 13.809 -5.809 4.216 355 H ILE 46 H ILE 46 15.527 -7.015 5.524 356 HA ILE 46 HA ILE 46 18.200 -6.107 5.032 357 HB ILE 46 HB ILE 46 18.941 -7.758 6.501 358 1HG1 ILE 46 1HG1 ILE 46 16.053 -8.808 6.530 359 2HG1 ILE 46 2HG1 ILE 46 17.517 -9.671 5.956 360 1HG2 ILE 46 1HG2 ILE 46 17.882 -5.551 7.261 361 2HG2 ILE 46 2HG2 ILE 46 17.875 -6.853 8.496 362 3HG2 ILE 46 3HG2 ILE 46 16.366 -6.472 7.604 363 1HD1 ILE 46 1HD1 ILE 46 18.492 -9.562 8.286 364 2HD1 ILE 46 2HD1 ILE 46 16.976 -10.528 8.149 365 3HD1 ILE 46 3HD1 ILE 46 16.928 -8.880 8.872 366 H PHE 47 H PHE 47 16.357 -9.053 4.154 367 HA PHE 47 HA PHE 47 18.420 -9.842 2.309 368 1HB PHE 47 1HB PHE 47 16.727 -11.834 2.034 369 2HB PHE 47 2HB PHE 47 17.621 -11.621 3.563 370 HD1 PHE 47 HD1 PHE 47 14.361 -10.378 2.078 371 HD2 PHE 47 HD2 PHE 47 16.479 -11.892 5.442 372 HE1 PHE 47 HE1 PHE 47 12.384 -10.078 3.448 373 HE2 PHE 47 HE2 PHE 47 14.471 -11.642 6.815 374 HZ PHE 47 HZ PHE 47 12.437 -10.677 5.847 375 H ASN 48 H ASN 48 17.090 -7.375 1.784 376 HA ASN 48 HA ASN 48 14.712 -7.720 0.634 377 1HB ASN 48 1HB ASN 48 14.589 -5.395 0.110 378 2HB ASN 48 2HB ASN 48 15.291 -5.737 1.721 379 1HD2 ASN 48 1HD2 ASN 48 17.888 -6.467 0.092 380 2HD2 ASN 48 2HD2 ASN 48 18.677 -4.894 -0.012 381 H MET 49 H MET 49 13.883 -8.517 -0.986 382 HA MET 49 HA MET 49 14.930 -7.823 -3.642 383 1HB MET 49 1HB MET 49 15.378 -10.238 -3.151 384 2HB MET 49 2HB MET 49 13.663 -10.481 -2.770 385 1HG MET 49 1HG MET 49 14.138 -11.303 -5.016 386 2HG MET 49 2HG MET 49 13.019 -9.925 -5.100 387 1HE MET 49 1HE MET 49 16.367 -11.511 -5.935 388 2HE MET 49 2HE MET 49 17.009 -10.335 -4.740 389 3HE MET 49 3HE MET 49 17.449 -10.187 -6.474 390 H LYS 50 H LYS 50 12.027 -9.259 -2.059 391 HA LYS 50 HA LYS 50 10.200 -8.030 -3.721 392 1HB LYS 50 1HB LYS 50 9.857 -8.958 -0.834 393 2HB LYS 50 2HB LYS 50 8.528 -8.619 -1.980 394 1HG LYS 50 1HG LYS 50 10.560 -10.916 -2.110 395 2HG LYS 50 2HG LYS 50 8.807 -10.977 -1.794 396 1HD LYS 50 1HD LYS 50 8.501 -9.957 -4.180 397 2HD LYS 50 2HD LYS 50 10.237 -10.356 -4.426 398 1HE LYS 50 1HE LYS 50 9.595 -12.798 -3.736 399 2HE LYS 50 2HE LYS 50 7.873 -12.271 -3.875 400 1HZ LYS 50 1HZ LYS 50 8.870 -11.431 -6.244 401 2HZ LYS 50 2HZ LYS 50 8.271 -12.992 -5.995 402 3HZ LYS 50 3HZ LYS 50 9.915 -12.694 -5.899 403 H ASP 51 H ASP 51 11.424 -6.900 -0.556 404 HA ASP 51 HA ASP 51 9.807 -4.628 -0.479 405 1HB ASP 51 1HB ASP 51 12.557 -5.080 0.814 406 2HB ASP 51 2HB ASP 51 11.450 -3.674 1.117 407 H ARG 52 H ARG 52 12.754 -5.187 -2.385 408 HA ARG 52 HA ARG 52 13.211 -2.434 -2.770 409 1HB ARG 52 1HB ARG 52 13.994 -4.705 -4.660 410 2HB ARG 52 2HB ARG 52 14.598 -3.015 -4.663 411 1HG ARG 52 1HG ARG 52 15.397 -3.508 -2.212 412 2HG ARG 52 2HG ARG 52 15.141 -5.231 -2.641 413 1HD ARG 52 1HD ARG 52 17.069 -3.202 -3.932 414 2HD ARG 52 2HD ARG 52 17.501 -4.705 -3.039 415 HE ARG 52 HE ARG 52 16.297 -4.449 -5.797 416 1HH1 ARG 52 1HH1 ARG 52 17.571 -6.808 -3.411 417 2HH1 ARG 52 2HH1 ARG 52 18.483 -7.638 -4.645 418 1HH2 ARG 52 1HH2 ARG 52 16.673 -6.173 -7.247 419 2HH2 ARG 52 2HH2 ARG 52 17.814 -7.396 -6.815 420 H TYR 53 H TYR 53 11.429 -4.919 -4.659 421 HA TYR 53 HA TYR 53 10.577 -3.232 -6.689 422 1HB TYR 53 1HB TYR 53 9.210 -5.690 -5.437 423 2HB TYR 53 2HB TYR 53 8.645 -4.882 -6.945 424 HD1 TYR 53 HD1 TYR 53 10.864 -7.324 -5.626 425 HD2 TYR 53 HD2 TYR 53 10.266 -4.622 -8.845 426 HE1 TYR 53 HE1 TYR 53 12.430 -8.617 -6.997 427 HE2 TYR 53 HE2 TYR 53 11.817 -5.913 -10.225 428 HH TYR 53 HH TYR 53 13.253 -7.642 -10.302 429 H LYS 54 H LYS 54 8.928 -4.002 -3.587 430 HA LYS 54 HA LYS 54 6.742 -2.376 -3.860 431 1HB LYS 54 1HB LYS 54 8.489 -3.265 -1.510 432 2HB LYS 54 2HB LYS 54 6.973 -2.359 -1.250 433 1HG LYS 54 1HG LYS 54 5.613 -4.083 -2.213 434 2HG LYS 54 2HG LYS 54 7.039 -5.011 -2.790 435 1HD LYS 54 1HD LYS 54 7.801 -5.401 -0.516 436 2HD LYS 54 2HD LYS 54 6.478 -4.390 0.174 437 1HE LYS 54 1HE LYS 54 4.768 -6.026 -0.749 438 2HE LYS 54 2HE LYS 54 6.121 -7.015 -1.418 439 1HZ LYS 54 1HZ LYS 54 5.363 -6.591 1.417 440 2HZ LYS 54 2HZ LYS 54 6.931 -7.089 0.997 441 3HZ LYS 54 3HZ LYS 54 5.619 -8.015 0.521 442 H TRP 55 H TRP 55 9.901 -1.485 -2.298 443 HA TRP 55 HA TRP 55 8.954 1.092 -1.815 444 1HB TRP 55 1HB TRP 55 10.740 -0.368 -0.598 445 2HB TRP 55 2HB TRP 55 11.899 0.352 -1.760 446 HD1 TRP 55 HD1 TRP 55 9.623 1.246 1.324 447 HE1 TRP 55 HE1 TRP 55 9.673 3.738 1.667 448 HE3 TRP 55 HE3 TRP 55 12.961 2.519 -2.308 449 HZ2 TRP 55 HZ2 TRP 55 11.476 5.863 1.038 450 HZ3 TRP 55 HZ3 TRP 55 13.823 4.804 -2.357 451 HH2 TRP 55 HH2 TRP 55 13.147 6.441 -0.680 452 H GLU 56 H GLU 56 10.656 -0.261 -4.581 453 HA GLU 56 HA GLU 56 11.458 2.166 -5.749 454 1HB GLU 56 1HB GLU 56 12.405 -0.073 -6.258 455 2HB GLU 56 2HB GLU 56 10.809 -0.633 -6.805 456 1HG GLU 56 1HG GLU 56 10.966 1.159 -8.694 457 2HG GLU 56 2HG GLU 56 12.683 1.391 -8.200 458 H ALA 57 H ALA 57 8.516 0.126 -5.955 459 HA ALA 57 HA ALA 57 7.318 1.656 -7.990 460 1HB ALA 57 1HB ALA 57 6.694 -0.716 -7.513 461 2HB ALA 57 2HB ALA 57 5.257 0.342 -7.328 462 3HB ALA 57 3HB ALA 57 6.138 -0.250 -5.866 463 H TRP 58 H TRP 58 7.592 1.958 -4.565 464 HA TRP 58 HA TRP 58 5.519 3.835 -4.240 465 1HB TRP 58 1HB TRP 58 6.323 2.167 -2.492 466 2HB TRP 58 2HB TRP 58 7.829 3.140 -2.316 467 HD1 TRP 58 HD1 TRP 58 4.508 4.995 -2.664 468 HE1 TRP 58 HE1 TRP 58 4.055 6.198 -0.410 469 HE3 TRP 58 HE3 TRP 58 7.830 2.474 0.150 470 HZ2 TRP 58 HZ2 TRP 58 5.010 6.015 2.152 471 HZ3 TRP 58 HZ3 TRP 58 7.866 2.836 2.580 472 HH2 TRP 58 HH2 TRP 58 6.524 4.585 3.606 473 H GLU 59 H GLU 59 9.091 3.972 -4.339 474 HA GLU 59 HA GLU 59 9.521 6.651 -4.173 475 1HB GLU 59 1HB GLU 59 11.143 4.699 -4.019 476 2HB GLU 59 2HB GLU 59 11.052 4.572 -5.795 477 1HG GLU 59 1HG GLU 59 11.833 7.185 -5.629 478 2HG GLU 59 2HG GLU 59 12.385 6.664 -4.000 479 H ASN 60 H ASN 60 8.240 4.849 -6.846 480 HA ASN 60 HA ASN 60 8.645 6.701 -8.884 481 1HB ASN 60 1HB ASN 60 7.645 4.226 -8.831 482 2HB ASN 60 2HB ASN 60 6.074 5.037 -8.558 483 1HD2 ASN 60 1HD2 ASN 60 8.928 4.854 -10.705 484 2HD2 ASN 60 2HD2 ASN 60 8.122 5.346 -12.166 485 H LEU 61 H LEU 61 6.468 6.733 -6.149 486 HA LEU 61 HA LEU 61 4.902 8.924 -7.322 487 1HB LEU 61 1HB LEU 61 4.200 7.079 -4.991 488 2HB LEU 61 2HB LEU 61 3.114 8.220 -5.840 489 HG LEU 61 HG LEU 61 4.333 5.657 -7.027 490 1HD1 LEU 61 1HD1 LEU 61 1.523 6.489 -6.111 491 2HD1 LEU 61 2HD1 LEU 61 2.621 5.314 -5.281 492 3HD1 LEU 61 3HD1 LEU 61 1.940 4.906 -6.913 493 1HD2 LEU 61 1HD2 LEU 61 2.724 6.120 -8.944 494 2HD2 LEU 61 2HD2 LEU 61 4.045 7.343 -8.849 495 3HD2 LEU 61 3HD2 LEU 61 2.405 7.749 -8.238 496 H LYS 62 H LYS 62 7.507 8.700 -5.569 497 HA LYS 62 HA LYS 62 7.626 8.981 -3.195 498 1HB LYS 62 1HB LYS 62 9.611 10.529 -3.503 499 2HB LYS 62 2HB LYS 62 9.494 9.182 -4.659 500 1HG LYS 62 1HG LYS 62 8.361 10.784 -6.319 501 2HG LYS 62 2HG LYS 62 8.753 12.123 -5.218 502 1HD LYS 62 1HD LYS 62 10.756 10.062 -6.294 503 2HD LYS 62 2HD LYS 62 10.331 11.521 -7.227 504 1HE LYS 62 1HE LYS 62 11.712 11.542 -4.446 505 2HE LYS 62 2HE LYS 62 12.473 11.914 -6.041 506 1HZ LYS 62 1HZ LYS 62 10.473 13.495 -4.527 507 2HZ LYS 62 2HZ LYS 62 10.581 13.654 -6.192 508 3HZ LYS 62 3HZ LYS 62 11.908 14.003 -5.248 509 H GLY 63 H GLY 63 6.287 12.033 -4.648 510 1HA GLY 63 1HA GLY 63 5.270 12.399 -1.984 511 2HA GLY 63 2HA GLY 63 6.473 13.640 -2.501 512 H LYS 64 H LYS 64 4.113 12.096 -4.688 513 HA LYS 64 HA LYS 64 2.643 14.664 -4.614 514 1HB LYS 64 1HB LYS 64 2.386 14.798 -6.841 515 2HB LYS 64 2HB LYS 64 4.050 14.164 -6.731 516 1HG LYS 64 1HG LYS 64 3.144 11.852 -7.251 517 2HG LYS 64 2HG LYS 64 1.505 12.565 -7.379 518 1HD LYS 64 1HD LYS 64 2.438 14.148 -9.183 519 2HD LYS 64 2HD LYS 64 3.940 13.179 -9.129 520 1HE LYS 64 1HE LYS 64 2.663 12.316 -10.980 521 2HE LYS 64 2HE LYS 64 2.509 11.090 -9.662 522 1HZ LYS 64 1HZ LYS 64 0.485 13.202 -10.299 523 2HZ LYS 64 2HZ LYS 64 0.279 11.978 -9.182 524 3HZ LYS 64 3HZ LYS 64 0.448 11.595 -10.810 525 H SER 65 H SER 65 2.449 11.143 -5.060 526 HA SER 65 HA SER 65 -0.330 11.364 -5.472 527 1HB SER 65 1HB SER 65 1.413 8.889 -5.163 528 2HB SER 65 2HB SER 65 -0.269 8.893 -5.783 529 HG SER 65 HG SER 65 0.732 9.129 -7.592 530 H GLN 66 H GLN 66 0.069 12.246 -2.596 531 HA GLN 66 HA GLN 66 -1.220 10.166 -1.151 532 1HB GLN 66 1HB GLN 66 0.109 12.072 -0.158 533 2HB GLN 66 2HB GLN 66 -0.986 13.244 -0.966 534 1HG GLN 66 1HG GLN 66 -2.898 12.489 0.289 535 2HG GLN 66 2HG GLN 66 -1.947 11.140 1.047 536 1HE2 GLN 66 1HE2 GLN 66 -0.412 11.694 2.736 537 2HE2 GLN 66 2HE2 GLN 66 -0.462 13.245 3.533 538 H GLU 67 H GLU 67 -1.831 12.842 -3.260 539 HA GLU 67 HA GLU 67 -4.613 13.157 -2.977 540 1HB GLU 67 1HB GLU 67 -2.591 14.052 -5.129 541 2HB GLU 67 2HB GLU 67 -4.242 14.714 -4.900 542 1HG GLU 67 1HG GLU 67 -3.630 15.665 -2.730 543 2HG GLU 67 2HG GLU 67 -2.002 14.901 -2.774 544 H ASP 68 H ASP 68 -2.413 11.706 -5.425 545 HA ASP 68 HA ASP 68 -4.608 10.702 -6.942 546 1HB ASP 68 1HB ASP 68 -1.598 9.987 -6.981 547 2HB ASP 68 2HB ASP 68 -2.796 9.437 -8.207 548 H ALA 69 H ALA 69 -2.245 9.063 -4.673 549 HA ALA 69 HA ALA 69 -3.183 6.662 -4.922 550 1HB ALA 69 1HB ALA 69 -2.709 6.201 -2.467 551 2HB ALA 69 2HB ALA 69 -2.393 7.975 -2.303 552 3HB ALA 69 3HB ALA 69 -1.399 6.968 -3.417 553 H GLU 70 H GLU 70 -4.865 8.753 -2.459 554 HA GLU 70 HA GLU 70 -6.943 7.117 -1.881 555 1HB GLU 70 1HB GLU 70 -8.165 9.036 -1.301 556 2HB GLU 70 2HB GLU 70 -6.474 9.114 -0.766 557 1HG GLU 70 1HG GLU 70 -5.866 10.793 -2.384 558 2HG GLU 70 2HG GLU 70 -7.263 10.424 -3.438 559 H LYS 71 H LYS 71 -6.718 8.726 -5.075 560 HA LYS 71 HA LYS 71 -9.443 7.985 -5.713 561 1HB LYS 71 1HB LYS 71 -7.223 9.524 -7.162 562 2HB LYS 71 2HB LYS 71 -8.836 9.214 -7.875 563 1HG LYS 71 1HG LYS 71 -9.945 10.685 -6.357 564 2HG LYS 71 2HG LYS 71 -8.589 10.666 -5.191 565 1HD LYS 71 1HD LYS 71 -8.543 12.790 -6.294 566 2HD LYS 71 2HD LYS 71 -7.118 11.805 -6.774 567 1HE LYS 71 1HE LYS 71 -8.202 11.280 -8.983 568 2HE LYS 71 2HE LYS 71 -9.663 12.230 -8.503 569 1HZ LYS 71 1HZ LYS 71 -7.959 13.353 -9.908 570 2HZ LYS 71 2HZ LYS 71 -6.921 13.383 -8.572 571 3HZ LYS 71 3HZ LYS 71 -8.404 14.208 -8.514 572 H GLU 72 H GLU 72 -6.111 7.081 -6.542 573 HA GLU 72 HA GLU 72 -6.943 5.230 -8.528 574 1HB GLU 72 1HB GLU 72 -4.405 5.499 -6.841 575 2HB GLU 72 2HB GLU 72 -4.563 4.360 -8.206 576 1HG GLU 72 1HG GLU 72 -4.881 7.424 -8.494 577 2HG GLU 72 2HG GLU 72 -3.335 6.545 -8.711 578 H TYR 73 H TYR 73 -6.613 5.176 -5.038 579 HA TYR 73 HA TYR 73 -6.017 2.544 -4.790 580 1HB TYR 73 1HB TYR 73 -5.731 4.376 -3.012 581 2HB TYR 73 2HB TYR 73 -7.471 4.173 -2.598 582 HD1 TYR 73 HD1 TYR 73 -7.975 2.333 -1.108 583 HD2 TYR 73 HD2 TYR 73 -4.247 2.491 -3.129 584 HE1 TYR 73 HE1 TYR 73 -7.137 0.505 0.290 585 HE2 TYR 73 HE2 TYR 73 -3.379 0.683 -1.723 586 HH TYR 73 HH TYR 73 -3.887 -0.882 -0.273 587 H ILE 74 H ILE 74 -9.184 4.165 -4.210 588 HA ILE 74 HA ILE 74 -10.843 2.115 -3.859 589 HB ILE 74 HB ILE 74 -11.522 4.335 -3.797 590 1HG1 ILE 74 1HG1 ILE 74 -13.009 2.894 -6.099 591 2HG1 ILE 74 2HG1 ILE 74 -13.268 2.614 -4.356 592 1HG2 ILE 74 1HG2 ILE 74 -11.760 5.821 -5.725 593 2HG2 ILE 74 2HG2 ILE 74 -11.085 4.573 -6.822 594 3HG2 ILE 74 3HG2 ILE 74 -10.065 5.313 -5.519 595 1HD1 ILE 74 1HD1 ILE 74 -15.035 4.070 -5.191 596 2HD1 ILE 74 2HD1 ILE 74 -13.864 5.187 -5.959 597 3HD1 ILE 74 3HD1 ILE 74 -13.970 5.089 -4.159 598 H ALA 75 H ALA 75 -9.536 3.001 -7.067 599 HA ALA 75 HA ALA 75 -11.180 1.115 -8.372 600 1HB ALA 75 1HB ALA 75 -8.572 2.540 -9.267 601 2HB ALA 75 2HB ALA 75 -10.234 3.191 -9.486 602 3HB ALA 75 3HB ALA 75 -9.723 1.712 -10.373 603 H LEU 76 H LEU 76 -7.691 0.957 -7.524 604 HA LEU 76 HA LEU 76 -7.505 -1.643 -8.628 605 1HB LEU 76 1HB LEU 76 -5.362 -1.860 -7.375 606 2HB LEU 76 2HB LEU 76 -5.496 -0.508 -8.552 607 HG LEU 76 HG LEU 76 -6.255 0.638 -6.070 608 1HD1 LEU 76 1HD1 LEU 76 -3.701 -1.071 -5.731 609 2HD1 LEU 76 2HD1 LEU 76 -5.283 -1.400 -4.928 610 3HD1 LEU 76 3HD1 LEU 76 -4.372 0.115 -4.548 611 1HD2 LEU 76 1HD2 LEU 76 -4.959 1.687 -7.967 612 2HD2 LEU 76 2HD2 LEU 76 -3.510 0.732 -7.480 613 3HD2 LEU 76 3HD2 LEU 76 -4.216 1.959 -6.350 614 H VAL 77 H VAL 77 -8.084 -0.542 -5.288 615 HA VAL 77 HA VAL 77 -8.040 -3.136 -4.181 616 HB VAL 77 HB VAL 77 -8.912 -0.465 -3.194 617 1HG1 VAL 77 1HG1 VAL 77 -9.434 -3.208 -1.880 618 2HG1 VAL 77 2HG1 VAL 77 -10.637 -1.888 -2.161 619 3HG1 VAL 77 3HG1 VAL 77 -9.292 -1.661 -0.978 620 1HG2 VAL 77 1HG2 VAL 77 -6.893 -2.723 -2.526 621 2HG2 VAL 77 2HG2 VAL 77 -7.139 -1.284 -1.491 622 3HG2 VAL 77 3HG2 VAL 77 -6.504 -1.073 -3.174 623 H ASP 78 H ASP 78 -10.646 -1.334 -5.974 624 HA ASP 78 HA ASP 78 -12.608 -3.047 -5.081 625 1HB ASP 78 1HB ASP 78 -12.840 -0.881 -6.450 626 2HB ASP 78 2HB ASP 78 -12.406 -1.877 -7.908 627 H GLN 79 H GLN 79 -10.275 -3.394 -7.726 628 HA GLN 79 HA GLN 79 -11.301 -5.831 -8.719 629 1HB GLN 79 1HB GLN 79 -8.479 -4.651 -8.841 630 2HB GLN 79 2HB GLN 79 -9.033 -6.069 -9.780 631 1HG GLN 79 1HG GLN 79 -10.681 -4.706 -11.011 632 2HG GLN 79 2HG GLN 79 -10.282 -3.260 -10.015 633 1HE2 GLN 79 1HE2 GLN 79 -9.246 -1.895 -11.439 634 2HE2 GLN 79 2HE2 GLN 79 -7.759 -2.308 -12.254 635 H LEU 80 H LEU 80 -9.143 -5.022 -6.073 636 HA LEU 80 HA LEU 80 -8.177 -7.671 -5.618 637 1HB LEU 80 1HB LEU 80 -8.197 -5.191 -3.839 638 2HB LEU 80 2HB LEU 80 -7.352 -6.726 -3.497 639 HG LEU 80 HG LEU 80 -6.692 -4.577 -5.517 640 1HD1 LEU 80 1HD1 LEU 80 -5.729 -4.533 -3.211 641 2HD1 LEU 80 2HD1 LEU 80 -4.463 -4.776 -4.476 642 3HD1 LEU 80 3HD1 LEU 80 -5.022 -6.171 -3.477 643 1HD2 LEU 80 1HD2 LEU 80 -6.585 -6.569 -6.958 644 2HD2 LEU 80 2HD2 LEU 80 -5.616 -7.461 -5.723 645 3HD2 LEU 80 3HD2 LEU 80 -4.933 -6.013 -6.539 646 H ILE 81 H ILE 81 -10.623 -5.600 -3.963 647 HA ILE 81 HA ILE 81 -11.385 -7.487 -2.130 648 HB ILE 81 HB ILE 81 -12.571 -5.132 -3.456 649 1HG1 ILE 81 1HG1 ILE 81 -10.676 -5.099 -1.667 650 2HG1 ILE 81 2HG1 ILE 81 -12.000 -3.902 -1.551 651 1HG2 ILE 81 1HG2 ILE 81 -14.089 -6.728 -1.298 652 2HG2 ILE 81 2HG2 ILE 81 -14.653 -6.283 -2.954 653 3HG2 ILE 81 3HG2 ILE 81 -14.439 -5.015 -1.719 654 1HD1 ILE 81 1HD1 ILE 81 -13.052 -5.070 0.306 655 2HD1 ILE 81 2HD1 ILE 81 -11.297 -4.991 0.675 656 3HD1 ILE 81 3HD1 ILE 81 -12.027 -6.525 0.063 657 H ALA 82 H ALA 82 -12.709 -6.846 -5.390 658 HA ALA 82 HA ALA 82 -14.812 -8.582 -5.343 659 1HB ALA 82 1HB ALA 82 -12.873 -7.968 -7.643 660 2HB ALA 82 2HB ALA 82 -14.299 -6.982 -7.169 661 3HB ALA 82 3HB ALA 82 -14.540 -8.642 -7.831 662 H LYS 83 H LYS 83 -11.347 -9.481 -5.657 663 HA LYS 83 HA LYS 83 -12.074 -12.236 -6.112 664 1HB LYS 83 1HB LYS 83 -9.386 -10.808 -5.774 665 2HB LYS 83 2HB LYS 83 -9.606 -12.541 -6.194 666 1HG LYS 83 1HG LYS 83 -10.810 -11.862 -8.287 667 2HG LYS 83 2HG LYS 83 -10.485 -10.143 -7.922 668 1HD LYS 83 1HD LYS 83 -8.356 -12.325 -8.306 669 2HD LYS 83 2HD LYS 83 -8.894 -11.179 -9.573 670 1HE LYS 83 1HE LYS 83 -8.003 -9.242 -8.281 671 2HE LYS 83 2HE LYS 83 -7.510 -10.343 -6.929 672 1HZ LYS 83 1HZ LYS 83 -6.124 -11.539 -8.525 673 2HZ LYS 83 2HZ LYS 83 -5.637 -9.943 -8.382 674 3HZ LYS 83 3HZ LYS 83 -6.515 -10.424 -9.736 675 H TYR 84 H TYR 84 -10.868 -10.007 -3.593 676 HA TYR 84 HA TYR 84 -9.939 -12.273 -2.088 677 1HB TYR 84 1HB TYR 84 -9.468 -9.258 -1.838 678 2HB TYR 84 2HB TYR 84 -8.670 -10.499 -0.834 679 HD1 TYR 84 HD1 TYR 84 -7.346 -8.473 -2.401 680 HD2 TYR 84 HD2 TYR 84 -8.376 -12.441 -3.457 681 HE1 TYR 84 HE1 TYR 84 -5.419 -8.565 -3.911 682 HE2 TYR 84 HE2 TYR 84 -6.466 -12.554 -4.950 683 HH TYR 84 HH TYR 84 -4.659 -9.938 -5.982 684 H SER 85 H SER 85 -12.601 -10.072 -1.815 685 HA SER 85 HA SER 85 -13.061 -10.040 0.823 686 1HB SER 85 1HB SER 85 -15.513 -9.979 0.280 687 2HB SER 85 2HB SER 85 -14.485 -8.841 -0.648 688 HG SER 85 HG SER 85 -14.678 -10.006 -2.402 689 H SER 86 H SER 86 -14.128 -12.842 -1.203 690 HA SER 86 HA SER 86 -13.479 -14.603 0.838 691 1HB SER 86 1HB SER 86 -16.469 -14.049 0.380 692 2HB SER 86 2HB SER 86 -15.893 -15.644 0.968 693 HG SER 86 HG SER 86 -15.088 -13.285 2.236 Start of MODEL 4 1 1H VAL 1 1H VAL 1 -10.497 10.139 -3.277 2 2H VAL 1 2H VAL 1 -9.531 11.338 -2.595 3 3H VAL 1 3H VAL 1 -11.128 11.664 -3.008 4 HA VAL 1 HA VAL 1 -10.818 11.419 -0.640 5 HB VAL 1 HB VAL 1 -12.518 9.509 -0.267 6 1HG1 VAL 1 1HG1 VAL 1 -12.980 11.944 -0.159 7 2HG1 VAL 1 2HG1 VAL 1 -14.304 11.023 -0.944 8 3HG1 VAL 1 3HG1 VAL 1 -13.182 11.996 -1.952 9 1HG2 VAL 1 1HG2 VAL 1 -13.786 8.856 -2.231 10 2HG2 VAL 1 2HG2 VAL 1 -12.080 8.381 -2.530 11 3HG2 VAL 1 3HG2 VAL 1 -12.783 9.843 -3.329 12 H SER 2 H SER 2 -8.878 10.988 0.264 13 HA SER 2 HA SER 2 -7.617 8.581 0.561 14 1HB SER 2 1HB SER 2 -6.823 9.733 2.762 15 2HB SER 2 2HB SER 2 -6.473 10.545 1.200 16 HG SER 2 HG SER 2 -7.448 11.848 2.975 17 H GLN 3 H GLN 3 -10.361 10.013 2.367 18 HA GLN 3 HA GLN 3 -10.300 8.079 4.315 19 1HB GLN 3 1HB GLN 3 -12.524 8.751 4.970 20 2HB GLN 3 2HB GLN 3 -11.460 10.146 4.600 21 1HG GLN 3 1HG GLN 3 -12.607 10.331 2.307 22 2HG GLN 3 2HG GLN 3 -13.716 9.012 2.835 23 1HE2 GLN 3 1HE2 GLN 3 -15.433 10.524 2.497 24 2HE2 GLN 3 2HE2 GLN 3 -15.823 11.718 3.725 25 H LEU 4 H LEU 4 -11.902 7.891 1.155 26 HA LEU 4 HA LEU 4 -13.386 5.578 1.586 27 1HB LEU 4 1HB LEU 4 -13.499 7.088 -0.508 28 2HB LEU 4 2HB LEU 4 -11.875 6.469 -0.990 29 HG LEU 4 HG LEU 4 -12.625 4.234 -1.150 30 1HD1 LEU 4 1HD1 LEU 4 -15.140 3.700 -1.171 31 2HD1 LEU 4 2HD1 LEU 4 -15.477 5.371 -0.589 32 3HD1 LEU 4 3HD1 LEU 4 -14.601 4.207 0.470 33 1HD2 LEU 4 1HD2 LEU 4 -14.110 4.585 -3.203 34 2HD2 LEU 4 2HD2 LEU 4 -12.712 5.742 -3.144 35 3HD2 LEU 4 3HD2 LEU 4 -14.365 6.288 -2.693 36 H PHE 5 H PHE 5 -10.229 6.259 0.424 37 HA PHE 5 HA PHE 5 -9.238 3.787 -0.280 38 1HB PHE 5 1HB PHE 5 -8.209 5.712 -1.157 39 2HB PHE 5 2HB PHE 5 -8.282 6.580 0.387 40 HD1 PHE 5 HD1 PHE 5 -6.714 5.709 2.316 41 HD2 PHE 5 HD2 PHE 5 -6.164 5.104 -1.848 42 HE1 PHE 5 HE1 PHE 5 -4.354 5.251 2.712 43 HE2 PHE 5 HE2 PHE 5 -3.808 4.558 -1.467 44 HZ PHE 5 HZ PHE 5 -2.890 4.714 0.818 45 H GLU 6 H GLU 6 -9.367 5.477 2.793 46 HA GLU 6 HA GLU 6 -7.727 3.562 4.143 47 1HB GLU 6 1HB GLU 6 -9.369 5.911 5.127 48 2HB GLU 6 2HB GLU 6 -8.701 4.706 6.268 49 1HG GLU 6 1HG GLU 6 -6.397 5.045 5.297 50 2HG GLU 6 2HG GLU 6 -7.046 6.416 4.329 51 H GLU 7 H GLU 7 -11.290 3.951 3.883 52 HA GLU 7 HA GLU 7 -11.842 2.118 5.895 53 1HB GLU 7 1HB GLU 7 -13.615 2.118 3.430 54 2HB GLU 7 2HB GLU 7 -14.043 1.981 5.157 55 1HG GLU 7 1HG GLU 7 -13.400 4.523 5.310 56 2HG GLU 7 2HG GLU 7 -13.224 4.432 3.512 57 H LYS 8 H LYS 8 -11.242 1.742 2.494 58 HA LYS 8 HA LYS 8 -11.678 -1.126 2.580 59 1HB LYS 8 1HB LYS 8 -11.677 1.037 0.535 60 2HB LYS 8 2HB LYS 8 -11.030 -0.535 -0.016 61 1HG LYS 8 1HG LYS 8 -13.330 -0.602 -0.545 62 2HG LYS 8 2HG LYS 8 -13.030 -1.708 0.826 63 1HD LYS 8 1HD LYS 8 -15.071 -0.744 1.255 64 2HD LYS 8 2HD LYS 8 -13.970 0.051 2.410 65 1HE LYS 8 1HE LYS 8 -13.976 2.125 0.991 66 2HE LYS 8 2HE LYS 8 -14.900 1.250 -0.294 67 1HZ LYS 8 1HZ LYS 8 -16.466 0.873 1.855 68 2HZ LYS 8 2HZ LYS 8 -16.654 2.061 0.704 69 3HZ LYS 8 3HZ LYS 8 -15.886 2.435 2.170 70 H ALA 9 H ALA 9 -8.758 1.002 2.492 71 HA ALA 9 HA ALA 9 -7.091 -0.978 1.562 72 1HB ALA 9 1HB ALA 9 -6.419 1.448 1.757 73 2HB ALA 9 2HB ALA 9 -5.321 0.354 2.645 74 3HB ALA 9 3HB ALA 9 -6.551 1.344 3.548 75 H LYS 10 H LYS 10 -8.003 0.018 4.804 76 HA LYS 10 HA LYS 10 -6.646 -1.813 6.394 77 1HB LYS 10 1HB LYS 10 -9.203 -0.201 6.383 78 2HB LYS 10 2HB LYS 10 -8.889 -1.304 7.789 79 1HG LYS 10 1HG LYS 10 -6.834 -0.084 8.347 80 2HG LYS 10 2HG LYS 10 -7.038 0.992 6.924 81 1HD LYS 10 1HD LYS 10 -9.184 1.828 7.775 82 2HD LYS 10 2HD LYS 10 -9.134 0.724 9.173 83 1HE LYS 10 1HE LYS 10 -7.066 2.982 8.643 84 2HE LYS 10 2HE LYS 10 -8.527 3.126 9.697 85 1HZ LYS 10 1HZ LYS 10 -6.031 1.683 10.214 86 2HZ LYS 10 2HZ LYS 10 -7.454 0.926 10.706 87 3HZ LYS 10 3HZ LYS 10 -7.125 2.467 11.250 88 H ALA 11 H ALA 11 -9.363 -2.316 4.237 89 HA ALA 11 HA ALA 11 -10.108 -4.801 5.538 90 1HB ALA 11 1HB ALA 11 -11.726 -5.053 3.700 91 2HB ALA 11 2HB ALA 11 -11.004 -3.670 2.809 92 3HB ALA 11 3HB ALA 11 -11.862 -3.390 4.369 93 H VAL 12 H VAL 12 -8.596 -3.880 2.315 94 HA VAL 12 HA VAL 12 -8.327 -6.506 1.628 95 HB VAL 12 HB VAL 12 -6.950 -5.763 -0.215 96 1HG1 VAL 12 1HG1 VAL 12 -9.374 -3.959 0.331 97 2HG1 VAL 12 2HG1 VAL 12 -9.427 -5.672 -0.233 98 3HG1 VAL 12 3HG1 VAL 12 -8.656 -4.406 -1.259 99 1HG2 VAL 12 1HG2 VAL 12 -6.433 -3.327 -0.488 100 2HG2 VAL 12 2HG2 VAL 12 -5.602 -3.941 0.977 101 3HG2 VAL 12 3HG2 VAL 12 -7.108 -2.974 1.130 102 H ASN 13 H ASN 13 -6.276 -4.597 3.660 103 HA ASN 13 HA ASN 13 -4.069 -6.405 3.322 104 1HB ASN 13 1HB ASN 13 -4.716 -4.159 5.327 105 2HB ASN 13 2HB ASN 13 -3.276 -5.208 5.553 106 1HD2 ASN 13 1HD2 ASN 13 -4.656 -2.658 3.469 107 2HD2 ASN 13 2HD2 ASN 13 -3.104 -2.251 2.779 108 H GLU 14 H GLU 14 -6.985 -6.804 4.960 109 HA GLU 14 HA GLU 14 -5.867 -9.132 6.275 110 1HB GLU 14 1HB GLU 14 -6.938 -8.627 8.423 111 2HB GLU 14 2HB GLU 14 -5.676 -7.430 8.026 112 1HG GLU 14 1HG GLU 14 -7.209 -5.708 7.524 113 2HG GLU 14 2HG GLU 14 -8.606 -6.819 7.351 114 H LEU 15 H LEU 15 -7.682 -8.621 3.929 115 HA LEU 15 HA LEU 15 -10.213 -9.504 4.749 116 1HB LEU 15 1HB LEU 15 -8.660 -8.918 2.280 117 2HB LEU 15 2HB LEU 15 -9.920 -10.151 2.019 118 HG LEU 15 HG LEU 15 -10.317 -7.288 3.014 119 1HD1 LEU 15 1HD1 LEU 15 -9.845 -7.652 0.528 120 2HD1 LEU 15 2HD1 LEU 15 -11.493 -6.970 0.886 121 3HD1 LEU 15 3HD1 LEU 15 -11.301 -8.707 0.461 122 1HD2 LEU 15 1HD2 LEU 15 -12.757 -7.636 2.857 123 2HD2 LEU 15 2HD2 LEU 15 -12.069 -8.684 4.134 124 3HD2 LEU 15 3HD2 LEU 15 -12.523 -9.382 2.523 125 HA PRO 16 HA PRO 16 -9.343 -13.623 5.311 126 1HB PRO 16 1HB PRO 16 -11.560 -15.044 4.471 127 2HB PRO 16 2HB PRO 16 -11.649 -13.852 5.830 128 1HG PRO 16 1HG PRO 16 -12.447 -13.409 2.899 129 2HG PRO 16 2HG PRO 16 -13.347 -12.924 4.395 130 1HD PRO 16 1HD PRO 16 -11.575 -11.286 2.897 131 2HD PRO 16 2HD PRO 16 -11.951 -10.992 4.663 132 H THR 17 H THR 17 -10.192 -12.706 2.035 133 HA THR 17 HA THR 17 -8.465 -14.811 0.946 134 HB THR 17 HB THR 17 -10.365 -12.855 -0.366 135 HG1 THR 17 HG1 THR 17 -11.487 -14.787 -0.828 136 1HG2 THR 17 1HG2 THR 17 -9.986 -14.200 -2.431 137 2HG2 THR 17 2HG2 THR 17 -8.841 -15.301 -1.561 138 3HG2 THR 17 3HG2 THR 17 -8.409 -13.569 -1.865 139 H LYS 18 H LYS 18 -6.822 -13.791 2.076 140 HA LYS 18 HA LYS 18 -5.953 -11.278 1.917 141 1HB LYS 18 1HB LYS 18 -4.245 -13.814 1.970 142 2HB LYS 18 2HB LYS 18 -3.700 -12.202 2.530 143 1HG LYS 18 1HG LYS 18 -5.567 -12.193 4.225 144 2HG LYS 18 2HG LYS 18 -6.004 -13.851 3.766 145 1HD LYS 18 1HD LYS 18 -3.285 -12.950 4.875 146 2HD LYS 18 2HD LYS 18 -4.602 -13.731 5.806 147 1HE LYS 18 1HE LYS 18 -4.366 -15.815 4.404 148 2HE LYS 18 2HE LYS 18 -3.006 -15.043 3.496 149 1HZ LYS 18 1HZ LYS 18 -2.113 -16.371 5.260 150 2HZ LYS 18 2HZ LYS 18 -3.132 -15.638 6.402 151 3HZ LYS 18 3HZ LYS 18 -1.896 -14.751 5.692 152 HA PRO 19 HA PRO 19 -5.007 -10.304 -1.998 153 1HB PRO 19 1HB PRO 19 -2.306 -9.165 -1.177 154 2HB PRO 19 2HB PRO 19 -3.592 -8.397 -2.196 155 1HG PRO 19 1HG PRO 19 -3.386 -7.721 0.471 156 2HG PRO 19 2HG PRO 19 -5.021 -8.085 -0.213 157 1HD PRO 19 1HD PRO 19 -3.158 -9.981 1.336 158 2HD PRO 19 2HD PRO 19 -4.938 -9.632 1.560 159 H SER 20 H SER 20 -3.784 -10.725 -4.073 160 HA SER 20 HA SER 20 -2.188 -13.062 -3.962 161 1HB SER 20 1HB SER 20 -3.034 -11.189 -6.199 162 2HB SER 20 2HB SER 20 -1.873 -12.522 -6.504 163 HG SER 20 HG SER 20 -3.901 -13.213 -6.910 164 H THR 21 H THR 21 -0.113 -13.289 -5.162 165 HA THR 21 HA THR 21 1.530 -12.143 -3.338 166 HB THR 21 HB THR 21 2.226 -13.835 -5.737 167 HG1 THR 21 HG1 THR 21 2.025 -15.432 -4.256 168 1HG2 THR 21 1HG2 THR 21 4.204 -14.497 -4.271 169 2HG2 THR 21 2HG2 THR 21 3.778 -13.175 -3.125 170 3HG2 THR 21 3HG2 THR 21 4.314 -12.792 -4.806 171 H ASP 22 H ASP 22 2.076 -11.594 -6.915 172 HA ASP 22 HA ASP 22 3.846 -9.487 -6.229 173 1HB ASP 22 1HB ASP 22 3.804 -11.094 -8.273 174 2HB ASP 22 2HB ASP 22 2.548 -10.017 -8.966 175 H GLU 23 H GLU 23 0.470 -9.713 -6.581 176 HA GLU 23 HA GLU 23 -0.056 -7.089 -7.500 177 1HB GLU 23 1HB GLU 23 -1.845 -9.217 -6.235 178 2HB GLU 23 2HB GLU 23 -2.417 -7.721 -7.040 179 1HG GLU 23 1HG GLU 23 -1.504 -8.429 -9.204 180 2HG GLU 23 2HG GLU 23 -0.749 -9.884 -8.477 181 H LEU 24 H LEU 24 -0.008 -8.621 -4.224 182 HA LEU 24 HA LEU 24 -0.864 -6.626 -2.677 183 1HB LEU 24 1HB LEU 24 -0.239 -8.921 -2.041 184 2HB LEU 24 2HB LEU 24 1.448 -8.629 -2.511 185 HG LEU 24 HG LEU 24 1.704 -7.012 -0.601 186 1HD1 LEU 24 1HD1 LEU 24 -1.141 -7.933 0.160 187 2HD1 LEU 24 2HD1 LEU 24 -0.703 -6.270 -0.405 188 3HD1 LEU 24 3HD1 LEU 24 -0.054 -6.896 1.162 189 1HD2 LEU 24 1HD2 LEU 24 1.696 -8.808 1.138 190 2HD2 LEU 24 2HD2 LEU 24 2.263 -9.445 -0.461 191 3HD2 LEU 24 3HD2 LEU 24 0.591 -9.802 0.091 192 H LEU 25 H LEU 25 2.456 -6.840 -4.156 193 HA LEU 25 HA LEU 25 3.438 -4.777 -2.582 194 1HB LEU 25 1HB LEU 25 4.224 -6.381 -5.042 195 2HB LEU 25 2HB LEU 25 5.280 -5.054 -4.450 196 HG LEU 25 HG LEU 25 5.947 -7.299 -3.724 197 1HD1 LEU 25 1HD1 LEU 25 5.039 -5.608 -1.281 198 2HD1 LEU 25 2HD1 LEU 25 6.469 -5.203 -2.291 199 3HD1 LEU 25 3HD1 LEU 25 6.432 -6.742 -1.348 200 1HD2 LEU 25 1HD2 LEU 25 3.689 -8.328 -3.421 201 2HD2 LEU 25 2HD2 LEU 25 3.525 -7.436 -1.857 202 3HD2 LEU 25 3HD2 LEU 25 4.841 -8.644 -2.053 203 H GLU 26 H GLU 26 2.081 -4.742 -5.873 204 HA GLU 26 HA GLU 26 2.609 -1.948 -6.144 205 1HB GLU 26 1HB GLU 26 1.084 -1.919 -8.019 206 2HB GLU 26 2HB GLU 26 2.329 -3.183 -8.149 207 1HG GLU 26 1HG GLU 26 0.737 -4.952 -7.585 208 2HG GLU 26 2HG GLU 26 -0.572 -3.760 -7.254 209 H LEU 27 H LEU 27 0.014 -3.778 -4.694 210 HA LEU 27 HA LEU 27 -1.728 -1.637 -4.245 211 1HB LEU 27 1HB LEU 27 -2.311 -4.011 -4.400 212 2HB LEU 27 2HB LEU 27 -1.397 -4.374 -2.918 213 HG LEU 27 HG LEU 27 -3.876 -4.390 -2.693 214 1HD1 LEU 27 1HD1 LEU 27 -2.397 -3.952 -0.692 215 2HD1 LEU 27 2HD1 LEU 27 -4.048 -3.248 -0.561 216 3HD1 LEU 27 3HD1 LEU 27 -2.650 -2.179 -0.929 217 1HD2 LEU 27 1HD2 LEU 27 -4.599 -2.734 -4.226 218 2HD2 LEU 27 2HD2 LEU 27 -3.730 -1.411 -3.362 219 3HD2 LEU 27 3HD2 LEU 27 -5.132 -2.236 -2.573 220 H TYR 28 H TYR 28 0.799 -3.118 -2.235 221 HA TYR 28 HA TYR 28 0.800 -1.560 -0.044 222 1HB TYR 28 1HB TYR 28 2.293 -3.420 -0.190 223 2HB TYR 28 2HB TYR 28 3.062 -2.774 -1.668 224 HD1 TYR 28 HD1 TYR 28 3.207 -2.822 1.947 225 HD2 TYR 28 HD2 TYR 28 4.557 -0.845 -1.565 226 HE1 TYR 28 HE1 TYR 28 5.131 -1.963 3.160 227 HE2 TYR 28 HE2 TYR 28 6.304 0.237 -0.308 228 HH TYR 28 HH TYR 28 6.969 -0.695 3.099 229 H ALA 29 H ALA 29 2.549 -0.683 -3.107 230 HA ALA 29 HA ALA 29 3.568 1.646 -2.233 231 1HB ALA 29 1HB ALA 29 2.488 0.947 -5.029 232 2HB ALA 29 2HB ALA 29 4.121 0.538 -4.394 233 3HB ALA 29 3HB ALA 29 3.673 2.259 -4.668 234 H LEU 30 H LEU 30 0.316 1.262 -3.688 235 HA LEU 30 HA LEU 30 -0.299 4.007 -3.477 236 1HB LEU 30 1HB LEU 30 -1.933 1.422 -3.734 237 2HB LEU 30 2HB LEU 30 -2.742 2.988 -3.451 238 HG LEU 30 HG LEU 30 -1.080 3.688 -5.549 239 1HD1 LEU 30 1HD1 LEU 30 -0.506 1.243 -6.026 240 2HD1 LEU 30 2HD1 LEU 30 -1.516 1.968 -7.338 241 3HD1 LEU 30 3HD1 LEU 30 -2.274 0.875 -6.113 242 1HD2 LEU 30 1HD2 LEU 30 -3.080 3.988 -6.711 243 2HD2 LEU 30 2HD2 LEU 30 -3.433 4.219 -4.938 244 3HD2 LEU 30 3HD2 LEU 30 -3.956 2.695 -5.766 245 H TYR 31 H TYR 31 -0.985 1.247 -1.354 246 HA TYR 31 HA TYR 31 -2.655 2.494 0.454 247 1HB TYR 31 1HB TYR 31 -2.538 0.102 0.348 248 2HB TYR 31 2HB TYR 31 -0.783 0.118 0.741 249 HD1 TYR 31 HD1 TYR 31 -3.736 1.967 2.290 250 HD2 TYR 31 HD2 TYR 31 -0.425 -0.660 2.792 251 HE1 TYR 31 HE1 TYR 31 -4.217 1.854 4.627 252 HE2 TYR 31 HE2 TYR 31 -0.896 -0.770 5.191 253 HH TYR 31 HH TYR 31 -3.615 1.033 6.629 254 H LYS 32 H LYS 32 0.871 1.818 0.715 255 HA LYS 32 HA LYS 32 1.404 3.426 2.918 256 1HB LYS 32 1HB LYS 32 3.161 2.575 0.572 257 2HB LYS 32 2HB LYS 32 3.780 3.321 2.065 258 1HG LYS 32 1HG LYS 32 2.377 0.596 1.808 259 2HG LYS 32 2HG LYS 32 4.098 0.951 2.103 260 1HD LYS 32 1HD LYS 32 1.748 1.347 4.037 261 2HD LYS 32 2HD LYS 32 3.131 0.224 4.153 262 1HE LYS 32 1HE LYS 32 4.645 2.352 4.193 263 2HE LYS 32 2HE LYS 32 3.104 3.283 4.479 264 1HZ LYS 32 1HZ LYS 32 4.305 1.142 6.186 265 2HZ LYS 32 2HZ LYS 32 2.758 1.787 6.427 266 3HZ LYS 32 3HZ LYS 32 4.140 2.772 6.546 267 H GLN 33 H GLN 33 1.185 4.368 -0.535 268 HA GLN 33 HA GLN 33 2.324 6.849 -0.296 269 1HB GLN 33 1HB GLN 33 0.355 5.569 -2.124 270 2HB GLN 33 2HB GLN 33 0.296 7.359 -2.114 271 1HG GLN 33 1HG GLN 33 2.403 7.637 -3.031 272 2HG GLN 33 2HG GLN 33 2.968 6.034 -2.436 273 1HE2 GLN 33 1HE2 GLN 33 0.115 7.128 -4.435 274 2HE2 GLN 33 2HE2 GLN 33 0.470 6.039 -5.765 275 H ALA 34 H ALA 34 -1.223 6.212 -0.056 276 HA ALA 34 HA ALA 34 -1.362 8.941 1.031 277 1HB ALA 34 1HB ALA 34 -2.911 8.723 -0.688 278 2HB ALA 34 2HB ALA 34 -3.812 8.817 0.855 279 3HB ALA 34 3HB ALA 34 -3.634 7.230 0.019 280 H THR 35 H THR 35 -1.176 5.741 2.467 281 HA THR 35 HA THR 35 -2.452 6.440 4.788 282 HB THR 35 HB THR 35 -0.128 4.598 4.257 283 HG1 THR 35 HG1 THR 35 -1.950 3.784 3.515 284 1HG2 THR 35 1HG2 THR 35 0.035 5.264 6.651 285 2HG2 THR 35 2HG2 THR 35 -0.761 3.651 6.521 286 3HG2 THR 35 3HG2 THR 35 -1.771 5.124 6.820 287 H VAL 36 H VAL 36 1.109 6.701 4.020 288 HA VAL 36 HA VAL 36 1.338 8.461 6.324 289 HB VAL 36 HB VAL 36 3.816 8.398 5.737 290 1HG1 VAL 36 1HG1 VAL 36 4.019 6.513 7.243 291 2HG1 VAL 36 2HG1 VAL 36 2.344 5.946 6.876 292 3HG1 VAL 36 3HG1 VAL 36 2.609 7.494 7.762 293 1HG2 VAL 36 1HG2 VAL 36 2.868 5.749 4.417 294 2HG2 VAL 36 2HG2 VAL 36 4.541 6.282 4.672 295 3HG2 VAL 36 3HG2 VAL 36 3.510 7.161 3.495 296 H GLY 37 H GLY 37 1.507 8.700 2.783 297 1HA GLY 37 1HA GLY 37 1.101 10.567 1.693 298 2HA GLY 37 2HA GLY 37 1.460 11.580 3.141 299 H ASP 38 H ASP 38 4.093 9.893 3.295 300 HA ASP 38 HA ASP 38 5.477 11.180 1.036 301 1HB ASP 38 1HB ASP 38 6.412 10.935 3.965 302 2HB ASP 38 2HB ASP 38 7.467 11.454 2.597 303 H ASN 39 H ASN 39 7.313 9.881 0.300 304 HA ASN 39 HA ASN 39 7.476 7.200 1.028 305 1HB ASN 39 1HB ASN 39 9.735 7.127 0.151 306 2HB ASN 39 2HB ASN 39 8.551 7.896 -0.953 307 1HD2 ASN 39 1HD2 ASN 39 11.242 8.216 -1.456 308 2HD2 ASN 39 2HD2 ASN 39 11.585 9.901 -1.253 309 H ASP 40 H ASP 40 7.141 6.985 3.208 310 HA ASP 40 HA ASP 40 8.659 8.347 5.086 311 1HB ASP 40 1HB ASP 40 6.283 7.785 5.239 312 2HB ASP 40 2HB ASP 40 6.667 6.032 5.252 313 H LYS 41 H LYS 41 8.516 4.743 4.748 314 HA LYS 41 HA LYS 41 10.745 4.526 6.530 315 1HB LYS 41 1HB LYS 41 9.199 2.496 4.831 316 2HB LYS 41 2HB LYS 41 10.403 2.048 6.047 317 1HG LYS 41 1HG LYS 41 7.788 3.541 6.732 318 2HG LYS 41 2HG LYS 41 8.034 1.775 6.738 319 1HD LYS 41 1HD LYS 41 8.493 2.098 8.942 320 2HD LYS 41 2HD LYS 41 10.124 2.330 8.286 321 1HE LYS 41 1HE LYS 41 9.949 4.166 9.737 322 2HE LYS 41 2HE LYS 41 9.417 4.915 8.163 323 1HZ LYS 41 1HZ LYS 41 8.067 5.061 10.436 324 2HZ LYS 41 2HZ LYS 41 7.313 3.692 9.790 325 3HZ LYS 41 3HZ LYS 41 7.356 5.132 8.899 326 H GLU 42 H GLU 42 12.401 5.665 5.243 327 HA GLU 42 HA GLU 42 13.209 4.418 2.801 328 1HB GLU 42 1HB GLU 42 13.113 6.862 3.195 329 2HB GLU 42 2HB GLU 42 14.497 6.712 4.318 330 1HG GLU 42 1HG GLU 42 15.966 5.934 2.473 331 2HG GLU 42 2HG GLU 42 14.563 5.817 1.350 332 H LYS 43 H LYS 43 13.271 2.508 4.445 333 HA LYS 43 HA LYS 43 15.965 1.628 4.059 334 1HB LYS 43 1HB LYS 43 16.094 2.465 6.426 335 2HB LYS 43 2HB LYS 43 14.767 1.353 6.858 336 1HG LYS 43 1HG LYS 43 16.316 -0.537 5.875 337 2HG LYS 43 2HG LYS 43 17.627 0.663 5.925 338 1HD LYS 43 1HD LYS 43 15.913 -0.224 8.354 339 2HD LYS 43 2HD LYS 43 17.427 -0.991 7.834 340 1HE LYS 43 1HE LYS 43 18.054 0.381 9.635 341 2HE LYS 43 2HE LYS 43 18.659 1.225 8.163 342 1HZ LYS 43 1HZ LYS 43 17.144 2.905 8.464 343 2HZ LYS 43 2HZ LYS 43 17.320 2.430 10.070 344 3HZ LYS 43 3HZ LYS 43 15.982 1.912 9.190 345 HA PRO 44 HA PRO 44 13.250 -1.886 3.501 346 1HB PRO 44 1HB PRO 44 13.725 -2.407 0.890 347 2HB PRO 44 2HB PRO 44 12.554 -1.104 1.381 348 1HG PRO 44 1HG PRO 44 15.519 -0.700 0.624 349 2HG PRO 44 2HG PRO 44 14.075 0.114 -0.118 350 1HD PRO 44 1HD PRO 44 15.526 1.185 2.018 351 2HD PRO 44 2HD PRO 44 13.732 1.454 1.839 352 H GLY 45 H GLY 45 14.500 -4.097 3.051 353 1HA GLY 45 1HA GLY 45 16.847 -3.699 4.562 354 2HA GLY 45 2HA GLY 45 16.165 -5.234 3.966 355 H ILE 46 H ILE 46 18.434 -5.801 3.892 356 HA ILE 46 HA ILE 46 20.001 -4.316 1.903 357 HB ILE 46 HB ILE 46 21.969 -5.051 3.070 358 1HG1 ILE 46 1HG1 ILE 46 19.960 -6.376 4.995 359 2HG1 ILE 46 2HG1 ILE 46 21.296 -7.146 4.074 360 1HG2 ILE 46 1HG2 ILE 46 19.873 -3.682 4.873 361 2HG2 ILE 46 2HG2 ILE 46 20.728 -2.882 3.497 362 3HG2 ILE 46 3HG2 ILE 46 21.656 -3.468 4.912 363 1HD1 ILE 46 1HD1 ILE 46 22.949 -5.734 5.415 364 2HD1 ILE 46 2HD1 ILE 46 21.992 -6.913 6.387 365 3HD1 ILE 46 3HD1 ILE 46 21.564 -5.171 6.428 366 H PHE 47 H PHE 47 19.355 -7.650 2.955 367 HA PHE 47 HA PHE 47 20.137 -8.619 0.325 368 1HB PHE 47 1HB PHE 47 19.509 -10.894 1.529 369 2HB PHE 47 2HB PHE 47 21.029 -10.045 1.931 370 HD1 PHE 47 HD1 PHE 47 17.429 -10.033 3.054 371 HD2 PHE 47 HD2 PHE 47 21.542 -9.755 4.103 372 HE1 PHE 47 HE1 PHE 47 16.808 -9.583 5.349 373 HE2 PHE 47 HE2 PHE 47 20.921 -9.342 6.429 374 HZ PHE 47 HZ PHE 47 18.552 -9.191 7.059 375 H ASN 48 H ASN 48 17.664 -6.931 1.368 376 HA ASN 48 HA ASN 48 15.509 -8.638 0.699 377 1HB ASN 48 1HB ASN 48 15.651 -5.752 1.544 378 2HB ASN 48 2HB ASN 48 14.130 -6.500 0.925 379 1HD2 ASN 48 1HD2 ASN 48 12.855 -7.548 2.334 380 2HD2 ASN 48 2HD2 ASN 48 13.366 -8.224 3.861 381 H MET 49 H MET 49 16.283 -9.178 -1.481 382 HA MET 49 HA MET 49 16.542 -7.260 -3.472 383 1HB MET 49 1HB MET 49 16.765 -9.119 -4.987 384 2HB MET 49 2HB MET 49 17.642 -9.447 -3.480 385 1HG MET 49 1HG MET 49 15.599 -10.808 -2.689 386 2HG MET 49 2HG MET 49 14.939 -10.635 -4.343 387 1HE MET 49 1HE MET 49 17.704 -10.805 -6.148 388 2HE MET 49 2HE MET 49 16.080 -11.502 -6.505 389 3HE MET 49 3HE MET 49 17.546 -12.533 -6.570 390 H LYS 50 H LYS 50 13.598 -8.462 -2.151 391 HA LYS 50 HA LYS 50 12.117 -7.717 -4.543 392 1HB LYS 50 1HB LYS 50 11.470 -9.683 -3.127 393 2HB LYS 50 2HB LYS 50 11.098 -8.571 -1.784 394 1HG LYS 50 1HG LYS 50 9.390 -7.411 -3.185 395 2HG LYS 50 2HG LYS 50 9.773 -8.471 -4.569 396 1HD LYS 50 1HD LYS 50 8.644 -9.340 -1.828 397 2HD LYS 50 2HD LYS 50 7.702 -9.137 -3.326 398 1HE LYS 50 1HE LYS 50 9.854 -11.291 -2.785 399 2HE LYS 50 2HE LYS 50 8.071 -11.511 -2.949 400 1HZ LYS 50 1HZ LYS 50 8.374 -10.543 -5.262 401 2HZ LYS 50 2HZ LYS 50 9.012 -12.085 -5.007 402 3HZ LYS 50 3HZ LYS 50 10.040 -10.773 -5.046 403 H ASP 51 H ASP 51 12.280 -6.748 -1.071 404 HA ASP 51 HA ASP 51 10.715 -4.560 -1.297 405 1HB ASP 51 1HB ASP 51 12.998 -4.811 0.708 406 2HB ASP 51 2HB ASP 51 11.483 -3.879 0.866 407 H ARG 52 H ARG 52 14.210 -4.703 -2.003 408 HA ARG 52 HA ARG 52 14.676 -2.009 -2.089 409 1HB ARG 52 1HB ARG 52 15.757 -4.421 -3.590 410 2HB ARG 52 2HB ARG 52 16.350 -2.797 -4.038 411 1HG ARG 52 1HG ARG 52 16.465 -3.872 -1.170 412 2HG ARG 52 2HG ARG 52 17.784 -4.037 -2.369 413 1HD ARG 52 1HD ARG 52 17.978 -1.552 -2.584 414 2HD ARG 52 2HD ARG 52 16.612 -1.328 -1.437 415 HE ARG 52 HE ARG 52 17.970 -2.426 0.341 416 1HH1 ARG 52 1HH1 ARG 52 19.897 -2.490 -2.657 417 2HH1 ARG 52 2HH1 ARG 52 21.375 -2.272 -1.786 418 1HH2 ARG 52 1HH2 ARG 52 19.916 -1.868 1.382 419 2HH2 ARG 52 2HH2 ARG 52 21.398 -2.256 0.541 420 H TYR 53 H TYR 53 13.316 -4.002 -4.722 421 HA TYR 53 HA TYR 53 13.110 -1.748 -6.478 422 1HB TYR 53 1HB TYR 53 11.835 -4.557 -6.582 423 2HB TYR 53 2HB TYR 53 11.823 -3.351 -7.921 424 HD1 TYR 53 HD1 TYR 53 14.250 -2.356 -8.428 425 HD2 TYR 53 HD2 TYR 53 13.392 -6.193 -6.836 426 HE1 TYR 53 HE1 TYR 53 16.339 -3.217 -9.387 427 HE2 TYR 53 HE2 TYR 53 15.487 -7.054 -7.756 428 HH TYR 53 HH TYR 53 17.341 -6.592 -8.930 429 H LYS 54 H LYS 54 10.946 -3.621 -4.385 430 HA LYS 54 HA LYS 54 8.604 -2.351 -5.260 431 1HB LYS 54 1HB LYS 54 9.399 -4.339 -3.142 432 2HB LYS 54 2HB LYS 54 7.815 -3.537 -2.985 433 1HG LYS 54 1HG LYS 54 7.548 -5.637 -4.132 434 2HG LYS 54 2HG LYS 54 7.086 -4.242 -5.166 435 1HD LYS 54 1HD LYS 54 9.196 -4.525 -6.459 436 2HD LYS 54 2HD LYS 54 9.648 -5.927 -5.427 437 1HE LYS 54 1HE LYS 54 7.553 -7.131 -6.177 438 2HE LYS 54 2HE LYS 54 7.092 -5.691 -7.166 439 1HZ LYS 54 1HZ LYS 54 9.440 -7.488 -7.585 440 2HZ LYS 54 2HZ LYS 54 9.253 -5.992 -8.336 441 3HZ LYS 54 3HZ LYS 54 8.110 -7.181 -8.607 442 H TRP 55 H TRP 55 10.700 -1.612 -2.411 443 HA TRP 55 HA TRP 55 8.979 0.422 -1.534 444 1HB TRP 55 1HB TRP 55 10.807 -0.630 -0.178 445 2HB TRP 55 2HB TRP 55 12.011 0.221 -1.190 446 HD1 TRP 55 HD1 TRP 55 9.406 0.873 1.659 447 HE1 TRP 55 HE1 TRP 55 9.243 3.382 2.066 448 HE3 TRP 55 HE3 TRP 55 12.926 2.476 -1.650 449 HZ2 TRP 55 HZ2 TRP 55 10.807 5.671 1.497 450 HZ3 TRP 55 HZ3 TRP 55 13.537 4.858 -1.633 451 HH2 TRP 55 HH2 TRP 55 12.584 6.396 -0.041 452 H GLU 56 H GLU 56 11.346 0.237 -4.156 453 HA GLU 56 HA GLU 56 11.379 3.070 -4.517 454 1HB GLU 56 1HB GLU 56 13.292 1.630 -5.078 455 2HB GLU 56 2HB GLU 56 12.319 0.818 -6.335 456 1HG GLU 56 1HG GLU 56 12.091 3.081 -7.531 457 2HG GLU 56 2HG GLU 56 13.131 3.810 -6.260 458 H ALA 57 H ALA 57 9.308 0.428 -5.593 459 HA ALA 57 HA ALA 57 7.966 1.919 -7.558 460 1HB ALA 57 1HB ALA 57 6.232 0.159 -7.388 461 2HB ALA 57 2HB ALA 57 6.933 -0.423 -5.840 462 3HB ALA 57 3HB ALA 57 7.862 -0.589 -7.371 463 H TRP 58 H TRP 58 7.960 2.016 -4.121 464 HA TRP 58 HA TRP 58 5.470 3.433 -3.951 465 1HB TRP 58 1HB TRP 58 5.983 1.877 -2.130 466 2HB TRP 58 2HB TRP 58 7.545 2.703 -1.803 467 HD1 TRP 58 HD1 TRP 58 4.425 4.784 -2.288 468 HE1 TRP 58 HE1 TRP 58 3.996 6.051 0.002 469 HE3 TRP 58 HE3 TRP 58 7.418 2.037 0.620 470 HZ2 TRP 58 HZ2 TRP 58 5.037 5.937 2.544 471 HZ3 TRP 58 HZ3 TRP 58 7.451 2.428 3.039 472 HH2 TRP 58 HH2 TRP 58 6.298 4.302 4.017 473 H GLU 59 H GLU 59 8.952 4.030 -3.332 474 HA GLU 59 HA GLU 59 8.793 6.673 -2.743 475 1HB GLU 59 1HB GLU 59 10.905 6.521 -2.227 476 2HB GLU 59 2HB GLU 59 10.591 4.795 -2.441 477 1HG GLU 59 1HG GLU 59 12.551 4.979 -3.560 478 2HG GLU 59 2HG GLU 59 11.459 5.229 -4.967 479 H ASN 60 H ASN 60 8.841 5.215 -5.933 480 HA ASN 60 HA ASN 60 9.585 7.469 -7.351 481 1HB ASN 60 1HB ASN 60 9.213 5.003 -8.101 482 2HB ASN 60 2HB ASN 60 7.483 5.433 -8.294 483 1HD2 ASN 60 1HD2 ASN 60 10.852 6.475 -9.194 484 2HD2 ASN 60 2HD2 ASN 60 10.434 7.020 -10.792 485 H LEU 61 H LEU 61 6.543 6.715 -5.739 486 HA LEU 61 HA LEU 61 5.450 9.246 -6.739 487 1HB LEU 61 1HB LEU 61 4.128 6.695 -5.834 488 2HB LEU 61 2HB LEU 61 3.278 8.228 -5.573 489 HG LEU 61 HG LEU 61 3.606 8.870 -7.949 490 1HD1 LEU 61 1HD1 LEU 61 5.416 7.480 -8.746 491 2HD1 LEU 61 2HD1 LEU 61 3.934 6.948 -9.609 492 3HD1 LEU 61 3HD1 LEU 61 4.573 5.962 -8.225 493 1HD2 LEU 61 1HD2 LEU 61 1.730 7.401 -8.743 494 2HD2 LEU 61 2HD2 LEU 61 1.476 7.971 -7.047 495 3HD2 LEU 61 3HD2 LEU 61 2.046 6.277 -7.358 496 H LYS 62 H LYS 62 7.511 8.893 -4.699 497 HA LYS 62 HA LYS 62 7.196 9.326 -2.303 498 1HB LYS 62 1HB LYS 62 8.882 11.111 -2.183 499 2HB LYS 62 2HB LYS 62 9.329 9.813 -3.279 500 1HG LYS 62 1HG LYS 62 8.018 12.380 -4.340 501 2HG LYS 62 2HG LYS 62 9.720 12.375 -3.856 502 1HD LYS 62 1HD LYS 62 8.765 10.281 -5.864 503 2HD LYS 62 2HD LYS 62 8.939 11.982 -6.352 504 1HE LYS 62 1HE LYS 62 10.984 10.774 -6.917 505 2HE LYS 62 2HE LYS 62 11.328 12.036 -5.675 506 1HZ LYS 62 1HZ LYS 62 10.783 9.199 -4.948 507 2HZ LYS 62 2HZ LYS 62 11.498 10.440 -4.022 508 3HZ LYS 62 3HZ LYS 62 12.330 9.755 -5.295 509 H GLY 63 H GLY 63 5.970 12.040 -4.221 510 1HA GLY 63 1HA GLY 63 4.816 13.118 -1.748 511 2HA GLY 63 2HA GLY 63 5.866 14.081 -2.830 512 H LYS 64 H LYS 64 4.172 12.383 -5.042 513 HA LYS 64 HA LYS 64 1.950 14.301 -4.990 514 1HB LYS 64 1HB LYS 64 1.656 14.030 -7.247 515 2HB LYS 64 2HB LYS 64 3.432 14.053 -7.056 516 1HG LYS 64 1HG LYS 64 3.310 11.452 -7.079 517 2HG LYS 64 2HG LYS 64 1.601 11.627 -7.564 518 1HD LYS 64 1HD LYS 64 4.102 12.617 -9.039 519 2HD LYS 64 2HD LYS 64 3.046 11.265 -9.534 520 1HE LYS 64 1HE LYS 64 2.235 14.261 -9.483 521 2HE LYS 64 2HE LYS 64 2.777 13.335 -10.928 522 1HZ LYS 64 1HZ LYS 64 0.690 12.737 -11.203 523 2HZ LYS 64 2HZ LYS 64 0.216 13.504 -9.793 524 3HZ LYS 64 3HZ LYS 64 0.697 11.874 -9.764 525 H SER 65 H SER 65 2.677 11.600 -3.677 526 HA SER 65 HA SER 65 1.157 9.514 -4.117 527 1HB SER 65 1HB SER 65 1.319 9.342 -1.460 528 2HB SER 65 2HB SER 65 2.864 9.699 -2.300 529 HG SER 65 HG SER 65 2.533 11.155 -0.589 530 H GLN 66 H GLN 66 -0.076 12.286 -2.275 531 HA GLN 66 HA GLN 66 -2.471 10.859 -1.642 532 1HB GLN 66 1HB GLN 66 -1.371 13.616 -1.052 533 2HB GLN 66 2HB GLN 66 -3.051 13.170 -0.595 534 1HG GLN 66 1HG GLN 66 -2.252 11.186 0.651 535 2HG GLN 66 2HG GLN 66 -0.532 11.608 0.273 536 1HE2 GLN 66 1HE2 GLN 66 -1.087 11.346 2.910 537 2HE2 GLN 66 2HE2 GLN 66 -1.171 12.915 3.676 538 H GLU 67 H GLU 67 -1.521 12.594 -4.368 539 HA GLU 67 HA GLU 67 -4.271 13.231 -5.118 540 1HB GLU 67 1HB GLU 67 -1.623 13.526 -6.636 541 2HB GLU 67 2HB GLU 67 -3.235 13.920 -7.297 542 1HG GLU 67 1HG GLU 67 -3.566 15.652 -5.526 543 2HG GLU 67 2HG GLU 67 -1.922 15.305 -4.879 544 H ASP 68 H ASP 68 -1.574 10.928 -5.893 545 HA ASP 68 HA ASP 68 -3.393 9.766 -7.882 546 1HB ASP 68 1HB ASP 68 -0.411 9.407 -7.175 547 2HB ASP 68 2HB ASP 68 -1.254 8.282 -8.309 548 H ALA 69 H ALA 69 -1.975 8.742 -4.789 549 HA ALA 69 HA ALA 69 -2.623 6.115 -5.001 550 1HB ALA 69 1HB ALA 69 -2.720 7.897 -2.522 551 2HB ALA 69 2HB ALA 69 -1.323 6.959 -3.164 552 3HB ALA 69 3HB ALA 69 -2.743 6.083 -2.496 553 H GLU 70 H GLU 70 -4.611 8.563 -3.306 554 HA GLU 70 HA GLU 70 -6.879 7.256 -2.797 555 1HB GLU 70 1HB GLU 70 -8.110 9.274 -2.888 556 2HB GLU 70 2HB GLU 70 -6.551 9.429 -2.041 557 1HG GLU 70 1HG GLU 70 -5.536 10.690 -3.816 558 2HG GLU 70 2HG GLU 70 -6.804 10.259 -5.000 559 H LYS 71 H LYS 71 -6.239 8.528 -6.114 560 HA LYS 71 HA LYS 71 -8.951 7.908 -6.914 561 1HB LYS 71 1HB LYS 71 -6.528 9.379 -8.052 562 2HB LYS 71 2HB LYS 71 -7.904 8.983 -9.112 563 1HG LYS 71 1HG LYS 71 -9.386 10.426 -8.059 564 2HG LYS 71 2HG LYS 71 -8.477 10.459 -6.514 565 1HD LYS 71 1HD LYS 71 -6.706 11.778 -7.426 566 2HD LYS 71 2HD LYS 71 -7.272 11.558 -9.110 567 1HE LYS 71 1HE LYS 71 -7.705 13.860 -8.281 568 2HE LYS 71 2HE LYS 71 -9.244 13.014 -8.697 569 1HZ LYS 71 1HZ LYS 71 -8.243 12.989 -5.892 570 2HZ LYS 71 2HZ LYS 71 -9.808 12.814 -6.503 571 3HZ LYS 71 3HZ LYS 71 -9.033 14.326 -6.533 572 H GLU 72 H GLU 72 -5.667 6.626 -7.494 573 HA GLU 72 HA GLU 72 -6.757 4.780 -9.415 574 1HB GLU 72 1HB GLU 72 -4.126 5.030 -7.952 575 2HB GLU 72 2HB GLU 72 -4.455 3.677 -9.094 576 1HG GLU 72 1HG GLU 72 -4.536 6.688 -9.797 577 2HG GLU 72 2HG GLU 72 -3.104 5.626 -9.994 578 H TYR 73 H TYR 73 -6.163 4.825 -5.908 579 HA TYR 73 HA TYR 73 -6.155 2.163 -5.474 580 1HB TYR 73 1HB TYR 73 -5.610 4.080 -3.829 581 2HB TYR 73 2HB TYR 73 -7.365 4.176 -3.467 582 HD1 TYR 73 HD1 TYR 73 -8.081 2.727 -1.722 583 HD2 TYR 73 HD2 TYR 73 -4.485 1.882 -3.804 584 HE1 TYR 73 HE1 TYR 73 -7.526 0.984 -0.074 585 HE2 TYR 73 HE2 TYR 73 -3.841 0.262 -2.087 586 HH TYR 73 HH TYR 73 -4.502 -0.925 -0.421 587 H ILE 74 H ILE 74 -9.091 4.289 -5.016 588 HA ILE 74 HA ILE 74 -10.917 2.556 -4.450 589 HB ILE 74 HB ILE 74 -11.186 4.830 -4.697 590 1HG1 ILE 74 1HG1 ILE 74 -13.229 3.287 -4.868 591 2HG1 ILE 74 2HG1 ILE 74 -13.396 4.994 -5.367 592 1HG2 ILE 74 1HG2 ILE 74 -9.848 5.391 -6.623 593 2HG2 ILE 74 2HG2 ILE 74 -11.502 6.057 -6.780 594 3HG2 ILE 74 3HG2 ILE 74 -11.032 4.623 -7.744 595 1HD1 ILE 74 1HD1 ILE 74 -14.673 3.609 -6.882 596 2HD1 ILE 74 2HD1 ILE 74 -13.252 2.616 -7.313 597 3HD1 ILE 74 3HD1 ILE 74 -13.315 4.361 -7.783 598 H ALA 75 H ALA 75 -9.879 2.927 -7.864 599 HA ALA 75 HA ALA 75 -11.727 0.953 -8.700 600 1HB ALA 75 1HB ALA 75 -10.629 1.280 -10.939 601 2HB ALA 75 2HB ALA 75 -9.293 2.194 -10.141 602 3HB ALA 75 3HB ALA 75 -10.965 2.857 -10.153 603 H LEU 76 H LEU 76 -8.201 0.739 -8.046 604 HA LEU 76 HA LEU 76 -8.201 -1.952 -8.977 605 1HB LEU 76 1HB LEU 76 -5.970 -2.175 -7.925 606 2HB LEU 76 2HB LEU 76 -6.204 -0.954 -9.227 607 HG LEU 76 HG LEU 76 -6.500 0.677 -7.079 608 1HD1 LEU 76 1HD1 LEU 76 -4.754 0.130 -5.383 609 2HD1 LEU 76 2HD1 LEU 76 -4.438 -1.448 -6.192 610 3HD1 LEU 76 3HD1 LEU 76 -6.032 -1.149 -5.400 611 1HD2 LEU 76 1HD2 LEU 76 -3.822 -0.230 -8.327 612 2HD2 LEU 76 2HD2 LEU 76 -4.143 1.350 -7.513 613 3HD2 LEU 76 3HD2 LEU 76 -4.974 0.947 -9.060 614 H VAL 77 H VAL 77 -8.515 -0.568 -5.722 615 HA VAL 77 HA VAL 77 -8.555 -3.048 -4.389 616 HB VAL 77 HB VAL 77 -9.306 -0.271 -3.625 617 1HG1 VAL 77 1HG1 VAL 77 -11.092 -1.537 -2.477 618 2HG1 VAL 77 2HG1 VAL 77 -9.732 -1.309 -1.305 619 3HG1 VAL 77 3HG1 VAL 77 -9.953 -2.892 -2.121 620 1HG2 VAL 77 1HG2 VAL 77 -6.920 -1.025 -3.510 621 2HG2 VAL 77 2HG2 VAL 77 -7.436 -2.595 -2.751 622 3HG2 VAL 77 3HG2 VAL 77 -7.587 -1.076 -1.827 623 H ASP 78 H ASP 78 -11.169 -1.196 -6.105 624 HA ASP 78 HA ASP 78 -13.204 -2.690 -5.081 625 1HB ASP 78 1HB ASP 78 -13.337 -0.602 -6.467 626 2HB ASP 78 2HB ASP 78 -12.832 -1.567 -7.918 627 H GLN 79 H GLN 79 -11.032 -3.384 -7.758 628 HA GLN 79 HA GLN 79 -12.326 -5.816 -8.522 629 1HB GLN 79 1HB GLN 79 -9.703 -4.488 -9.296 630 2HB GLN 79 2HB GLN 79 -10.311 -5.997 -10.053 631 1HG GLN 79 1HG GLN 79 -12.297 -4.903 -10.935 632 2HG GLN 79 2HG GLN 79 -11.995 -3.406 -10.000 633 1HE2 GLN 79 1HE2 GLN 79 -9.960 -2.201 -10.494 634 2HE2 GLN 79 2HE2 GLN 79 -9.254 -2.322 -12.099 635 H LEU 80 H LEU 80 -9.861 -4.977 -6.202 636 HA LEU 80 HA LEU 80 -8.951 -7.642 -5.668 637 1HB LEU 80 1HB LEU 80 -8.810 -4.989 -4.246 638 2HB LEU 80 2HB LEU 80 -8.586 -6.501 -3.334 639 HG LEU 80 HG LEU 80 -6.837 -7.186 -5.070 640 1HD1 LEU 80 1HD1 LEU 80 -7.234 -5.461 -6.821 641 2HD1 LEU 80 2HD1 LEU 80 -5.551 -5.384 -6.176 642 3HD1 LEU 80 3HD1 LEU 80 -6.769 -4.169 -5.648 643 1HD2 LEU 80 1HD2 LEU 80 -5.071 -5.974 -3.801 644 2HD2 LEU 80 2HD2 LEU 80 -6.378 -6.532 -2.693 645 3HD2 LEU 80 3HD2 LEU 80 -6.297 -4.798 -3.186 646 H ILE 81 H ILE 81 -11.346 -5.462 -4.087 647 HA ILE 81 HA ILE 81 -12.150 -7.432 -2.316 648 HB ILE 81 HB ILE 81 -13.272 -4.840 -3.256 649 1HG1 ILE 81 1HG1 ILE 81 -11.798 -5.783 -0.719 650 2HG1 ILE 81 2HG1 ILE 81 -11.111 -4.793 -2.039 651 1HG2 ILE 81 1HG2 ILE 81 -14.809 -4.837 -1.226 652 2HG2 ILE 81 2HG2 ILE 81 -14.300 -6.517 -0.851 653 3HG2 ILE 81 3HG2 ILE 81 -15.251 -6.145 -2.344 654 1HD1 ILE 81 1HD1 ILE 81 -11.592 -3.319 -0.166 655 2HD1 ILE 81 2HD1 ILE 81 -13.274 -3.926 -0.015 656 3HD1 ILE 81 3HD1 ILE 81 -12.793 -2.957 -1.463 657 H ALA 82 H ALA 82 -13.513 -6.576 -5.511 658 HA ALA 82 HA ALA 82 -15.783 -8.092 -5.422 659 1HB ALA 82 1HB ALA 82 -13.736 -7.824 -7.703 660 2HB ALA 82 2HB ALA 82 -15.079 -6.678 -7.348 661 3HB ALA 82 3HB ALA 82 -15.454 -8.349 -7.894 662 H LYS 83 H LYS 83 -12.426 -9.280 -5.643 663 HA LYS 83 HA LYS 83 -13.340 -12.011 -5.973 664 1HB LYS 83 1HB LYS 83 -10.549 -10.773 -5.765 665 2HB LYS 83 2HB LYS 83 -10.929 -12.485 -6.152 666 1HG LYS 83 1HG LYS 83 -12.122 -11.710 -8.238 667 2HG LYS 83 2HG LYS 83 -11.761 -10.014 -7.811 668 1HD LYS 83 1HD LYS 83 -10.235 -10.649 -9.485 669 2HD LYS 83 2HD LYS 83 -9.314 -10.448 -7.967 670 1HE LYS 83 1HE LYS 83 -9.107 -12.903 -7.693 671 2HE LYS 83 2HE LYS 83 -10.286 -13.186 -9.032 672 1HZ LYS 83 1HZ LYS 83 -8.052 -13.490 -9.756 673 2HZ LYS 83 2HZ LYS 83 -7.611 -11.891 -9.366 674 3HZ LYS 83 3HZ LYS 83 -8.775 -12.229 -10.577 675 H TYR 84 H TYR 84 -11.860 -9.776 -3.622 676 HA TYR 84 HA TYR 84 -11.187 -11.997 -1.961 677 1HB TYR 84 1HB TYR 84 -10.490 -9.016 -1.834 678 2HB TYR 84 2HB TYR 84 -9.799 -10.274 -0.761 679 HD1 TYR 84 HD1 TYR 84 -9.673 -12.305 -3.347 680 HD2 TYR 84 HD2 TYR 84 -8.257 -8.427 -2.358 681 HE1 TYR 84 HE1 TYR 84 -7.806 -12.614 -4.855 682 HE2 TYR 84 HE2 TYR 84 -6.325 -8.759 -3.803 683 HH TYR 84 HH TYR 84 -5.574 -10.000 -5.611 684 H SER 85 H SER 85 -13.754 -9.727 -1.877 685 HA SER 85 HA SER 85 -14.228 -9.489 0.783 686 1HB SER 85 1HB SER 85 -16.699 -9.430 0.142 687 2HB SER 85 2HB SER 85 -15.619 -8.295 -0.709 688 HG SER 85 HG SER 85 -15.746 -9.384 -2.488 689 H SER 86 H SER 86 -15.567 -12.169 -1.212 690 HA SER 86 HA SER 86 -15.074 -13.892 1.061 691 1HB SER 86 1HB SER 86 -17.773 -13.830 -0.430 692 2HB SER 86 2HB SER 86 -17.292 -15.073 0.776 693 HG SER 86 HG SER 86 -17.175 -13.283 2.287 Start of MODEL 5 1 1H VAL 1 1H VAL 1 -11.393 10.264 -3.159 2 2H VAL 1 2H VAL 1 -10.233 9.091 -2.867 3 3H VAL 1 3H VAL 1 -10.035 10.670 -2.287 4 HA VAL 1 HA VAL 1 -11.736 10.445 -0.735 5 HB VAL 1 HB VAL 1 -13.027 8.250 -0.558 6 1HG1 VAL 1 1HG1 VAL 1 -14.728 9.110 -2.082 7 2HG1 VAL 1 2HG1 VAL 1 -13.535 10.148 -2.926 8 3HG1 VAL 1 3HG1 VAL 1 -13.961 10.479 -1.203 9 1HG2 VAL 1 1HG2 VAL 1 -13.424 7.091 -2.698 10 2HG2 VAL 1 2HG2 VAL 1 -11.697 6.896 -2.249 11 3HG2 VAL 1 3HG2 VAL 1 -12.191 8.058 -3.546 12 H SER 2 H SER 2 -10.088 10.611 0.700 13 HA SER 2 HA SER 2 -8.229 8.562 1.078 14 1HB SER 2 1HB SER 2 -7.874 11.081 1.159 15 2HB SER 2 2HB SER 2 -8.573 11.055 2.806 16 HG SER 2 HG SER 2 -6.872 9.771 3.437 17 H GLN 3 H GLN 3 -11.229 9.460 2.805 18 HA GLN 3 HA GLN 3 -10.532 7.791 5.001 19 1HB GLN 3 1HB GLN 3 -13.201 8.922 4.034 20 2HB GLN 3 2HB GLN 3 -13.044 7.958 5.525 21 1HG GLN 3 1HG GLN 3 -11.568 10.632 5.019 22 2HG GLN 3 2HG GLN 3 -13.080 10.419 5.953 23 1HE2 GLN 3 1HE2 GLN 3 -9.558 9.865 5.969 24 2HE2 GLN 3 2HE2 GLN 3 -9.467 9.227 7.573 25 H LEU 4 H LEU 4 -12.285 7.316 1.969 26 HA LEU 4 HA LEU 4 -13.295 4.781 2.565 27 1HB LEU 4 1HB LEU 4 -13.967 6.250 0.539 28 2HB LEU 4 2HB LEU 4 -12.347 5.857 -0.177 29 HG LEU 4 HG LEU 4 -12.800 3.545 -0.248 30 1HD1 LEU 4 1HD1 LEU 4 -15.559 4.201 1.016 31 2HD1 LEU 4 2HD1 LEU 4 -14.289 3.113 1.705 32 3HD1 LEU 4 3HD1 LEU 4 -15.171 2.632 0.225 33 1HD2 LEU 4 1HD2 LEU 4 -14.697 3.562 -1.959 34 2HD2 LEU 4 2HD2 LEU 4 -13.549 4.945 -2.166 35 3HD2 LEU 4 3HD2 LEU 4 -15.162 5.206 -1.391 36 H PHE 5 H PHE 5 -10.323 5.971 1.163 37 HA PHE 5 HA PHE 5 -9.021 3.719 0.404 38 1HB PHE 5 1HB PHE 5 -8.045 5.795 -0.157 39 2HB PHE 5 2HB PHE 5 -8.336 6.463 1.478 40 HD1 PHE 5 HD1 PHE 5 -6.862 6.010 3.322 41 HD2 PHE 5 HD2 PHE 5 -6.028 4.559 -0.598 42 HE1 PHE 5 HE1 PHE 5 -4.644 5.349 4.052 43 HE2 PHE 5 HE2 PHE 5 -3.828 3.839 0.146 44 HZ PHE 5 HZ PHE 5 -3.167 4.108 2.512 45 H GLU 6 H GLU 6 -9.515 4.909 3.674 46 HA GLU 6 HA GLU 6 -7.681 2.907 4.729 47 1HB GLU 6 1HB GLU 6 -9.269 5.080 6.133 48 2HB GLU 6 2HB GLU 6 -8.561 3.698 7.013 49 1HG GLU 6 1HG GLU 6 -6.381 4.386 5.549 50 2HG GLU 6 2HG GLU 6 -7.134 6.011 5.705 51 H GLU 7 H GLU 7 -11.168 3.420 4.547 52 HA GLU 7 HA GLU 7 -11.967 1.226 6.046 53 1HB GLU 7 1HB GLU 7 -13.490 3.005 5.309 54 2HB GLU 7 2HB GLU 7 -13.164 2.612 3.607 55 1HG GLU 7 1HG GLU 7 -15.365 1.828 4.213 56 2HG GLU 7 2HG GLU 7 -14.330 0.412 3.851 57 H LYS 8 H LYS 8 -11.315 1.358 2.468 58 HA LYS 8 HA LYS 8 -11.670 -1.456 2.307 59 1HB LYS 8 1HB LYS 8 -10.606 0.600 0.341 60 2HB LYS 8 2HB LYS 8 -10.977 -1.120 -0.045 61 1HG LYS 8 1HG LYS 8 -13.371 -0.801 0.392 62 2HG LYS 8 2HG LYS 8 -13.059 0.819 1.064 63 1HD LYS 8 1HD LYS 8 -13.727 1.490 -0.978 64 2HD LYS 8 2HD LYS 8 -11.967 1.394 -1.199 65 1HE LYS 8 1HE LYS 8 -12.961 0.493 -3.204 66 2HE LYS 8 2HE LYS 8 -12.429 -0.979 -2.311 67 1HZ LYS 8 1HZ LYS 8 -15.173 0.152 -2.085 68 2HZ LYS 8 2HZ LYS 8 -14.692 -1.390 -1.666 69 3HZ LYS 8 3HZ LYS 8 -14.768 -0.932 -3.285 70 H ALA 9 H ALA 9 -8.688 0.632 2.719 71 HA ALA 9 HA ALA 9 -7.017 -1.320 1.813 72 1HB ALA 9 1HB ALA 9 -6.274 1.043 2.158 73 2HB ALA 9 2HB ALA 9 -5.247 -0.090 3.084 74 3HB ALA 9 3HB ALA 9 -6.526 0.882 3.932 75 H LYS 10 H LYS 10 -8.067 -0.574 5.101 76 HA LYS 10 HA LYS 10 -6.583 -2.602 6.395 77 1HB LYS 10 1HB LYS 10 -8.807 -0.691 6.883 78 2HB LYS 10 2HB LYS 10 -8.665 -2.064 8.067 79 1HG LYS 10 1HG LYS 10 -6.283 -1.420 8.482 80 2HG LYS 10 2HG LYS 10 -6.458 -0.016 7.385 81 1HD LYS 10 1HD LYS 10 -8.184 -0.481 9.899 82 2HD LYS 10 2HD LYS 10 -6.645 0.439 9.896 83 1HE LYS 10 1HE LYS 10 -7.581 2.063 8.242 84 2HE LYS 10 2HE LYS 10 -9.170 1.195 8.268 85 1HZ LYS 10 1HZ LYS 10 -9.493 1.799 10.510 86 2HZ LYS 10 2HZ LYS 10 -8.931 3.184 9.758 87 3HZ LYS 10 3HZ LYS 10 -7.894 2.270 10.736 88 H ALA 11 H ALA 11 -9.470 -2.813 4.455 89 HA ALA 11 HA ALA 11 -10.185 -5.400 5.478 90 1HB ALA 11 1HB ALA 11 -11.871 -4.038 4.219 91 2HB ALA 11 2HB ALA 11 -11.559 -5.624 3.431 92 3HB ALA 11 3HB ALA 11 -10.842 -4.143 2.741 93 H VAL 12 H VAL 12 -8.418 -4.200 2.497 94 HA VAL 12 HA VAL 12 -8.081 -6.785 1.645 95 HB VAL 12 HB VAL 12 -6.841 -5.955 -0.175 96 1HG1 VAL 12 1HG1 VAL 12 -8.887 -3.790 0.432 97 2HG1 VAL 12 2HG1 VAL 12 -9.403 -5.517 0.328 98 3HG1 VAL 12 3HG1 VAL 12 -8.551 -4.736 -1.066 99 1HG2 VAL 12 1HG2 VAL 12 -6.135 -3.563 -0.353 100 2HG2 VAL 12 2HG2 VAL 12 -5.238 -4.364 0.974 101 3HG2 VAL 12 3HG2 VAL 12 -6.616 -3.267 1.338 102 H ASN 13 H ASN 13 -6.024 -4.837 3.695 103 HA ASN 13 HA ASN 13 -3.762 -6.520 3.328 104 1HB ASN 13 1HB ASN 13 -4.479 -4.515 5.541 105 2HB ASN 13 2HB ASN 13 -2.864 -5.296 5.371 106 1HD2 ASN 13 1HD2 ASN 13 -3.757 -2.400 5.161 107 2HD2 ASN 13 2HD2 ASN 13 -3.075 -1.879 3.641 108 H GLU 14 H GLU 14 -6.633 -7.127 4.949 109 HA GLU 14 HA GLU 14 -5.384 -9.313 6.413 110 1HB GLU 14 1HB GLU 14 -5.663 -7.184 7.814 111 2HB GLU 14 2HB GLU 14 -7.422 -7.441 7.709 112 1HG GLU 14 1HG GLU 14 -7.162 -9.638 8.925 113 2HG GLU 14 2HG GLU 14 -5.372 -9.478 8.845 114 H LEU 15 H LEU 15 -7.208 -8.910 3.941 115 HA LEU 15 HA LEU 15 -9.646 -10.077 4.700 116 1HB LEU 15 1HB LEU 15 -8.539 -8.696 2.558 117 2HB LEU 15 2HB LEU 15 -8.670 -10.318 1.864 118 HG LEU 15 HG LEU 15 -11.133 -10.261 2.115 119 1HD1 LEU 15 1HD1 LEU 15 -11.451 -9.086 4.270 120 2HD1 LEU 15 2HD1 LEU 15 -12.318 -8.228 2.948 121 3HD1 LEU 15 3HD1 LEU 15 -10.752 -7.577 3.569 122 1HD2 LEU 15 1HD2 LEU 15 -10.057 -7.617 1.000 123 2HD2 LEU 15 2HD2 LEU 15 -11.622 -8.408 0.582 124 3HD2 LEU 15 3HD2 LEU 15 -10.074 -9.211 0.153 125 HA PRO 16 HA PRO 16 -8.253 -14.159 4.839 126 1HB PRO 16 1HB PRO 16 -10.242 -15.778 3.863 127 2HB PRO 16 2HB PRO 16 -10.492 -14.739 5.328 128 1HG PRO 16 1HG PRO 16 -11.433 -14.222 2.463 129 2HG PRO 16 2HG PRO 16 -12.315 -13.914 4.016 130 1HD PRO 16 1HD PRO 16 -10.698 -12.096 2.470 131 2HD PRO 16 2HD PRO 16 -11.256 -11.757 4.178 132 H THR 17 H THR 17 -9.129 -13.011 1.632 133 HA THR 17 HA THR 17 -7.271 -14.932 0.413 134 HB THR 17 HB THR 17 -9.486 -13.196 -0.733 135 HG1 THR 17 HG1 THR 17 -10.456 -15.098 -1.132 136 1HG2 THR 17 1HG2 THR 17 -7.674 -15.307 -2.132 137 2HG2 THR 17 2HG2 THR 17 -7.551 -13.513 -2.353 138 3HG2 THR 17 3HG2 THR 17 -9.040 -14.374 -2.868 139 H LYS 18 H LYS 18 -5.686 -13.765 1.509 140 HA LYS 18 HA LYS 18 -5.399 -11.069 1.445 141 1HB LYS 18 1HB LYS 18 -3.247 -13.218 1.745 142 2HB LYS 18 2HB LYS 18 -2.994 -11.485 2.134 143 1HG LYS 18 1HG LYS 18 -4.937 -11.571 3.719 144 2HG LYS 18 2HG LYS 18 -5.062 -13.339 3.457 145 1HD LYS 18 1HD LYS 18 -2.712 -13.595 4.317 146 2HD LYS 18 2HD LYS 18 -2.641 -11.821 4.590 147 1HE LYS 18 1HE LYS 18 -4.654 -12.048 6.170 148 2HE LYS 18 2HE LYS 18 -4.533 -13.844 5.983 149 1HZ LYS 18 1HZ LYS 18 -2.184 -13.618 6.784 150 2HZ LYS 18 2HZ LYS 18 -3.326 -13.084 7.941 151 3HZ LYS 18 3HZ LYS 18 -2.435 -12.004 7.043 152 HA PRO 19 HA PRO 19 -4.363 -9.884 -2.353 153 1HB PRO 19 1HB PRO 19 -1.983 -8.258 -1.363 154 2HB PRO 19 2HB PRO 19 -3.343 -7.715 -2.432 155 1HG PRO 19 1HG PRO 19 -3.361 -7.085 0.253 156 2HG PRO 19 2HG PRO 19 -4.880 -7.735 -0.491 157 1HD PRO 19 1HD PRO 19 -2.724 -9.296 1.055 158 2HD PRO 19 2HD PRO 19 -4.538 -9.297 1.262 159 H SER 20 H SER 20 -3.066 -10.215 -4.321 160 HA SER 20 HA SER 20 -1.016 -12.191 -3.947 161 1HB SER 20 1HB SER 20 -1.024 -12.292 -6.480 162 2HB SER 20 2HB SER 20 -2.495 -12.810 -5.610 163 HG SER 20 HG SER 20 -3.529 -11.015 -6.218 164 H THR 21 H THR 21 1.078 -12.136 -5.097 165 HA THR 21 HA THR 21 2.263 -10.065 -3.680 166 HB THR 21 HB THR 21 4.393 -11.184 -4.169 167 HG1 THR 21 HG1 THR 21 4.263 -12.249 -5.975 168 1HG2 THR 21 1HG2 THR 21 2.068 -13.033 -3.299 169 2HG2 THR 21 2HG2 THR 21 2.884 -11.816 -2.244 170 3HG2 THR 21 3HG2 THR 21 3.812 -13.209 -2.904 171 H ASP 22 H ASP 22 2.066 -10.547 -7.193 172 HA ASP 22 HA ASP 22 3.902 -8.363 -7.672 173 1HB ASP 22 1HB ASP 22 1.985 -9.893 -9.559 174 2HB ASP 22 2HB ASP 22 3.269 -8.732 -10.065 175 H GLU 23 H GLU 23 0.463 -8.849 -7.366 176 HA GLU 23 HA GLU 23 -0.269 -6.258 -8.243 177 1HB GLU 23 1HB GLU 23 -1.722 -8.181 -6.355 178 2HB GLU 23 2HB GLU 23 -2.440 -6.757 -7.175 179 1HG GLU 23 1HG GLU 23 -1.308 -9.274 -8.579 180 2HG GLU 23 2HG GLU 23 -3.042 -8.880 -8.323 181 H LEU 24 H LEU 24 0.573 -7.645 -5.047 182 HA LEU 24 HA LEU 24 0.344 -5.386 -3.556 183 1HB LEU 24 1HB LEU 24 1.961 -7.876 -3.424 184 2HB LEU 24 2HB LEU 24 2.559 -6.541 -2.393 185 HG LEU 24 HG LEU 24 -0.379 -7.284 -2.379 186 1HD1 LEU 24 1HD1 LEU 24 0.111 -8.783 -0.398 187 2HD1 LEU 24 2HD1 LEU 24 1.879 -8.592 -0.721 188 3HD1 LEU 24 3HD1 LEU 24 0.816 -9.401 -1.938 189 1HD2 LEU 24 1HD2 LEU 24 1.471 -6.009 -0.268 190 2HD2 LEU 24 2HD2 LEU 24 -0.287 -6.338 -0.068 191 3HD2 LEU 24 3HD2 LEU 24 0.272 -5.131 -1.288 192 H LEU 25 H LEU 25 2.708 -5.664 -6.140 193 HA LEU 25 HA LEU 25 4.386 -3.624 -5.038 194 1HB LEU 25 1HB LEU 25 3.770 -4.674 -7.852 195 2HB LEU 25 2HB LEU 25 5.047 -3.434 -7.538 196 HG LEU 25 HG LEU 25 5.015 -6.224 -6.230 197 1HD1 LEU 25 1HD1 LEU 25 6.467 -5.277 -8.778 198 2HD1 LEU 25 2HD1 LEU 25 5.053 -6.392 -8.706 199 3HD1 LEU 25 3HD1 LEU 25 6.638 -6.901 -7.991 200 1HD2 LEU 25 1HD2 LEU 25 7.372 -5.718 -5.714 201 2HD2 LEU 25 2HD2 LEU 25 6.349 -4.365 -5.086 202 3HD2 LEU 25 3HD2 LEU 25 7.265 -4.141 -6.609 203 H GLU 26 H GLU 26 1.627 -3.727 -7.183 204 HA GLU 26 HA GLU 26 1.407 -0.889 -7.485 205 1HB GLU 26 1HB GLU 26 0.544 -2.552 -9.075 206 2HB GLU 26 2HB GLU 26 -0.708 -3.047 -7.919 207 1HG GLU 26 1HG GLU 26 -1.993 -1.117 -8.270 208 2HG GLU 26 2HG GLU 26 -0.558 -0.080 -8.582 209 H LEU 27 H LEU 27 -0.334 -3.242 -5.430 210 HA LEU 27 HA LEU 27 -1.783 -1.242 -4.141 211 1HB LEU 27 1HB LEU 27 -1.287 -4.166 -3.493 212 2HB LEU 27 2HB LEU 27 -2.216 -3.118 -2.383 213 HG LEU 27 HG LEU 27 -3.697 -4.387 -3.697 214 1HD1 LEU 27 1HD1 LEU 27 -3.843 -1.455 -4.635 215 2HD1 LEU 27 2HD1 LEU 27 -4.384 -2.081 -3.030 216 3HD1 LEU 27 3HD1 LEU 27 -5.196 -2.637 -4.541 217 1HD2 LEU 27 1HD2 LEU 27 -2.450 -4.851 -5.755 218 2HD2 LEU 27 2HD2 LEU 27 -2.553 -3.126 -6.268 219 3HD2 LEU 27 3HD2 LEU 27 -4.046 -4.124 -6.148 220 H TYR 28 H TYR 28 1.353 -2.656 -3.073 221 HA TYR 28 HA TYR 28 1.291 -1.375 -0.593 222 1HB TYR 28 1HB TYR 28 2.831 -3.184 -0.964 223 2HB TYR 28 2HB TYR 28 3.574 -2.344 -2.361 224 HD1 TYR 28 HD1 TYR 28 4.904 -0.319 -2.044 225 HD2 TYR 28 HD2 TYR 28 3.765 -2.820 1.202 226 HE1 TYR 28 HE1 TYR 28 6.626 0.684 -0.701 227 HE2 TYR 28 HE2 TYR 28 5.587 -1.898 2.538 228 HH TYR 28 HH TYR 28 7.141 -0.260 2.705 229 H ALA 29 H ALA 29 2.748 -0.266 -3.745 230 HA ALA 29 HA ALA 29 3.741 2.086 -2.776 231 1HB ALA 29 1HB ALA 29 3.696 2.803 -5.179 232 2HB ALA 29 2HB ALA 29 2.530 1.473 -5.540 233 3HB ALA 29 3HB ALA 29 4.208 1.080 -5.036 234 H LEU 30 H LEU 30 0.484 1.451 -3.998 235 HA LEU 30 HA LEU 30 -0.391 4.097 -3.545 236 1HB LEU 30 1HB LEU 30 -1.645 1.403 -4.235 237 2HB LEU 30 2HB LEU 30 -2.705 2.770 -3.760 238 HG LEU 30 HG LEU 30 -2.651 2.729 -6.053 239 1HD1 LEU 30 1HD1 LEU 30 -1.016 5.143 -5.157 240 2HD1 LEU 30 2HD1 LEU 30 -2.788 4.765 -4.882 241 3HD1 LEU 30 3HD1 LEU 30 -2.154 5.022 -6.563 242 1HD2 LEU 30 1HD2 LEU 30 0.434 3.027 -6.112 243 2HD2 LEU 30 2HD2 LEU 30 -0.672 3.246 -7.521 244 3HD2 LEU 30 3HD2 LEU 30 -0.540 1.637 -6.740 245 H TYR 31 H TYR 31 -0.969 1.136 -1.563 246 HA TYR 31 HA TYR 31 -2.520 2.377 0.350 247 1HB TYR 31 1HB TYR 31 -2.462 0.030 0.267 248 2HB TYR 31 2HB TYR 31 -0.693 -0.004 0.557 249 HD1 TYR 31 HD1 TYR 31 -0.061 -0.488 2.608 250 HD2 TYR 31 HD2 TYR 31 -3.694 1.704 2.258 251 HE1 TYR 31 HE1 TYR 31 -0.351 -0.559 5.022 252 HE2 TYR 31 HE2 TYR 31 -4.085 1.486 4.607 253 HH TYR 31 HH TYR 31 -3.256 0.851 6.575 254 H LYS 32 H LYS 32 1.049 1.833 0.355 255 HA LYS 32 HA LYS 32 1.529 3.351 2.642 256 1HB LYS 32 1HB LYS 32 3.399 2.575 0.366 257 2HB LYS 32 2HB LYS 32 3.917 3.186 1.948 258 1HG LYS 32 1HG LYS 32 2.455 0.538 1.429 259 2HG LYS 32 2HG LYS 32 4.159 0.812 1.872 260 1HD LYS 32 1HD LYS 32 1.697 1.287 3.647 261 2HD LYS 32 2HD LYS 32 2.940 0.007 3.782 262 1HE LYS 32 1HE LYS 32 4.689 1.841 4.186 263 2HE LYS 32 2HE LYS 32 3.330 3.045 4.220 264 1HZ LYS 32 1HZ LYS 32 4.119 2.155 6.401 265 2HZ LYS 32 2HZ LYS 32 3.362 0.673 6.025 266 3HZ LYS 32 3HZ LYS 32 2.460 2.072 6.133 267 H GLN 33 H GLN 33 1.310 4.404 -0.770 268 HA GLN 33 HA GLN 33 2.116 6.984 -0.228 269 1HB GLN 33 1HB GLN 33 0.452 5.765 -2.426 270 2HB GLN 33 2HB GLN 33 0.127 7.465 -2.150 271 1HG GLN 33 1HG GLN 33 2.891 6.304 -2.602 272 2HG GLN 33 2HG GLN 33 1.835 7.235 -3.778 273 1HE2 GLN 33 1HE2 GLN 33 4.495 7.525 -1.665 274 2HE2 GLN 33 2HE2 GLN 33 4.385 9.256 -1.420 275 H ALA 34 H ALA 34 -1.339 5.999 -0.299 276 HA ALA 34 HA ALA 34 -1.875 8.480 1.028 277 1HB ALA 34 1HB ALA 34 -4.325 7.599 1.023 278 2HB ALA 34 2HB ALA 34 -3.644 6.354 -0.104 279 3HB ALA 34 3HB ALA 34 -3.511 8.095 -0.497 280 H THR 35 H THR 35 -1.063 5.415 2.535 281 HA THR 35 HA THR 35 -2.281 6.274 4.916 282 HB THR 35 HB THR 35 -0.476 4.997 6.152 283 HG1 THR 35 HG1 THR 35 -0.444 3.803 3.591 284 1HG2 THR 35 1HG2 THR 35 -1.860 3.004 5.937 285 2HG2 THR 35 2HG2 THR 35 -2.637 3.645 4.441 286 3HG2 THR 35 3HG2 THR 35 -2.896 4.466 6.025 287 H VAL 36 H VAL 36 1.100 6.678 3.550 288 HA VAL 36 HA VAL 36 1.798 8.231 5.871 289 HB VAL 36 HB VAL 36 3.429 7.623 3.396 290 1HG1 VAL 36 1HG1 VAL 36 4.263 8.338 6.288 291 2HG1 VAL 36 2HG1 VAL 36 4.169 9.562 4.969 292 3HG1 VAL 36 3HG1 VAL 36 5.315 8.209 4.824 293 1HG2 VAL 36 1HG2 VAL 36 2.699 5.471 4.362 294 2HG2 VAL 36 2HG2 VAL 36 3.203 6.017 6.013 295 3HG2 VAL 36 3HG2 VAL 36 4.414 5.773 4.693 296 H GLY 37 H GLY 37 1.872 8.719 2.357 297 1HA GLY 37 1HA GLY 37 1.345 10.457 1.173 298 2HA GLY 37 2HA GLY 37 1.466 11.583 2.586 299 H ASP 38 H ASP 38 4.102 9.858 2.936 300 HA ASP 38 HA ASP 38 5.757 11.054 0.835 301 1HB ASP 38 1HB ASP 38 6.199 10.845 3.878 302 2HB ASP 38 2HB ASP 38 7.590 10.988 2.739 303 H ASN 39 H ASN 39 7.404 9.475 0.044 304 HA ASN 39 HA ASN 39 7.204 6.843 0.899 305 1HB ASN 39 1HB ASN 39 9.356 6.473 -0.205 306 2HB ASN 39 2HB ASN 39 8.128 7.282 -1.221 307 1HD2 ASN 39 1HD2 ASN 39 10.967 7.295 -1.725 308 2HD2 ASN 39 2HD2 ASN 39 11.406 8.995 -1.725 309 H ASP 40 H ASP 40 7.299 6.280 2.914 310 HA ASP 40 HA ASP 40 8.574 7.827 4.807 311 1HB ASP 40 1HB ASP 40 6.359 6.552 4.870 312 2HB ASP 40 2HB ASP 40 7.289 5.044 5.082 313 H LYS 41 H LYS 41 9.026 4.281 4.568 314 HA LYS 41 HA LYS 41 11.400 4.474 6.124 315 1HB LYS 41 1HB LYS 41 9.920 2.175 4.741 316 2HB LYS 41 2HB LYS 41 11.319 1.937 5.831 317 1HG LYS 41 1HG LYS 41 8.607 3.129 6.695 318 2HG LYS 41 2HG LYS 41 9.191 1.455 6.901 319 1HD LYS 41 1HD LYS 41 9.905 2.155 8.939 320 2HD LYS 41 2HD LYS 41 11.319 2.696 8.012 321 1HE LYS 41 1HE LYS 41 10.763 4.544 9.410 322 2HE LYS 41 2HE LYS 41 10.072 5.016 7.796 323 1HZ LYS 41 1HZ LYS 41 8.356 3.488 9.613 324 2HZ LYS 41 2HZ LYS 41 7.986 4.778 8.574 325 3HZ LYS 41 3HZ LYS 41 8.735 5.082 10.058 326 H GLU 42 H GLU 42 12.740 5.685 4.742 327 HA GLU 42 HA GLU 42 13.557 4.762 2.226 328 1HB GLU 42 1HB GLU 42 13.248 7.094 3.133 329 2HB GLU 42 2HB GLU 42 14.736 6.869 4.096 330 1HG GLU 42 1HG GLU 42 16.092 6.746 2.001 331 2HG GLU 42 2HG GLU 42 14.601 6.788 0.998 332 H LYS 43 H LYS 43 13.984 2.695 3.909 333 HA LYS 43 HA LYS 43 16.626 2.077 3.075 334 1HB LYS 43 1HB LYS 43 17.112 3.204 5.232 335 2HB LYS 43 2HB LYS 43 16.208 1.934 6.098 336 1HG LYS 43 1HG LYS 43 17.852 0.243 5.406 337 2HG LYS 43 2HG LYS 43 18.502 1.333 4.146 338 1HD LYS 43 1HD LYS 43 20.163 1.485 5.691 339 2HD LYS 43 2HD LYS 43 19.189 2.936 6.070 340 1HE LYS 43 1HE LYS 43 18.111 1.550 7.991 341 2HE LYS 43 2HE LYS 43 19.295 0.238 7.601 342 1HZ LYS 43 1HZ LYS 43 19.875 3.019 8.484 343 2HZ LYS 43 2HZ LYS 43 21.064 1.968 7.923 344 3HZ LYS 43 3HZ LYS 43 20.203 1.604 9.331 345 HA PRO 44 HA PRO 44 13.828 -1.500 3.324 346 1HB PRO 44 1HB PRO 44 14.191 -2.476 0.770 347 2HB PRO 44 2HB PRO 44 12.995 -1.197 1.203 348 1HG PRO 44 1HG PRO 44 15.805 -0.795 0.054 349 2HG PRO 44 2HG PRO 44 14.236 -0.040 -0.489 350 1HD PRO 44 1HD PRO 44 16.008 1.246 1.227 351 2HD PRO 44 2HD PRO 44 14.206 1.454 1.382 352 H GLY 45 H GLY 45 14.669 -3.891 3.210 353 1HA GLY 45 1HA GLY 45 17.033 -3.680 4.605 354 2HA GLY 45 2HA GLY 45 16.096 -5.139 4.235 355 H ILE 46 H ILE 46 18.162 -6.061 4.514 356 HA ILE 46 HA ILE 46 20.060 -5.679 2.307 357 HB ILE 46 HB ILE 46 21.838 -6.266 3.672 358 1HG1 ILE 46 1HG1 ILE 46 19.880 -6.756 5.982 359 2HG1 ILE 46 2HG1 ILE 46 20.883 -7.990 5.142 360 1HG2 ILE 46 1HG2 ILE 46 20.046 -4.372 5.315 361 2HG2 ILE 46 2HG2 ILE 46 20.777 -3.889 3.731 362 3HG2 ILE 46 3HG2 ILE 46 21.827 -4.293 5.136 363 1HD1 ILE 46 1HD1 ILE 46 21.947 -7.432 7.252 364 2HD1 ILE 46 2HD1 ILE 46 21.949 -5.679 6.872 365 3HD1 ILE 46 3HD1 ILE 46 22.972 -6.817 5.909 366 H PHE 47 H PHE 47 18.539 -8.030 4.470 367 HA PHE 47 HA PHE 47 18.924 -10.115 2.463 368 1HB PHE 47 1HB PHE 47 17.916 -11.602 4.303 369 2HB PHE 47 2HB PHE 47 19.564 -10.934 4.554 370 HD1 PHE 47 HD1 PHE 47 20.081 -9.698 6.373 371 HD2 PHE 47 HD2 PHE 47 15.987 -10.376 5.490 372 HE1 PHE 47 HE1 PHE 47 19.460 -8.553 8.440 373 HE2 PHE 47 HE2 PHE 47 15.352 -9.261 7.572 374 HZ PHE 47 HZ PHE 47 17.096 -8.249 9.003 375 H ASN 48 H ASN 48 16.936 -7.534 2.862 376 HA ASN 48 HA ASN 48 14.588 -8.980 2.170 377 1HB ASN 48 1HB ASN 48 14.872 -6.621 3.498 378 2HB ASN 48 2HB ASN 48 14.486 -6.014 1.834 379 1HD2 ASN 48 1HD2 ASN 48 13.114 -7.072 4.743 380 2HD2 ASN 48 2HD2 ASN 48 11.581 -7.648 4.133 381 H MET 49 H MET 49 14.421 -9.747 0.104 382 HA MET 49 HA MET 49 15.662 -8.264 -2.081 383 1HB MET 49 1HB MET 49 14.108 -10.901 -2.114 384 2HB MET 49 2HB MET 49 14.953 -10.135 -3.493 385 1HG MET 49 1HG MET 49 16.516 -11.676 -2.887 386 2HG MET 49 2HG MET 49 17.097 -10.264 -1.970 387 1HE MET 49 1HE MET 49 18.498 -11.309 -0.241 388 2HE MET 49 2HE MET 49 18.368 -12.703 -1.365 389 3HE MET 49 3HE MET 49 18.223 -12.962 0.409 390 H LYS 50 H LYS 50 12.556 -8.917 -0.582 391 HA LYS 50 HA LYS 50 11.106 -8.163 -2.924 392 1HB LYS 50 1HB LYS 50 9.957 -8.700 -0.174 393 2HB LYS 50 2HB LYS 50 9.138 -8.826 -1.760 394 1HG LYS 50 1HG LYS 50 11.301 -10.612 -0.542 395 2HG LYS 50 2HG LYS 50 9.596 -11.028 -0.793 396 1HD LYS 50 1HD LYS 50 9.901 -11.224 -3.200 397 2HD LYS 50 2HD LYS 50 11.532 -10.468 -3.120 398 1HE LYS 50 1HE LYS 50 12.367 -12.367 -1.707 399 2HE LYS 50 2HE LYS 50 10.769 -13.190 -1.876 400 1HZ LYS 50 1HZ LYS 50 12.382 -12.383 -4.245 401 2HZ LYS 50 2HZ LYS 50 11.119 -13.509 -4.130 402 3HZ LYS 50 3HZ LYS 50 12.648 -13.818 -3.436 403 H ASP 51 H ASP 51 11.562 -6.699 0.332 404 HA ASP 51 HA ASP 51 9.954 -4.521 -0.052 405 1HB ASP 51 1HB ASP 51 12.481 -4.935 1.639 406 2HB ASP 51 2HB ASP 51 11.599 -3.373 1.622 407 H ARG 52 H ARG 52 13.251 -4.991 -1.200 408 HA ARG 52 HA ARG 52 13.836 -2.469 -2.094 409 1HB ARG 52 1HB ARG 52 14.382 -5.268 -3.140 410 2HB ARG 52 2HB ARG 52 15.068 -3.857 -3.978 411 1HG ARG 52 1HG ARG 52 15.530 -4.208 -0.975 412 2HG ARG 52 2HG ARG 52 16.466 -5.157 -2.149 413 1HD ARG 52 1HD ARG 52 16.319 -2.075 -2.198 414 2HD ARG 52 2HD ARG 52 17.634 -3.036 -1.420 415 HE ARG 52 HE ARG 52 17.874 -4.171 -3.763 416 1HH1 ARG 52 1HH1 ARG 52 16.615 -0.819 -3.671 417 2HH1 ARG 52 2HH1 ARG 52 17.536 -0.319 -5.019 418 1HH2 ARG 52 1HH2 ARG 52 19.015 -3.490 -5.618 419 2HH2 ARG 52 2HH2 ARG 52 18.758 -1.882 -6.227 420 H TYR 53 H TYR 53 11.657 -4.841 -3.669 421 HA TYR 53 HA TYR 53 11.352 -3.241 -6.005 422 1HB TYR 53 1HB TYR 53 9.476 -5.411 -4.917 423 2HB TYR 53 2HB TYR 53 9.575 -4.815 -6.610 424 HD1 TYR 53 HD1 TYR 53 12.398 -4.963 -7.279 425 HD2 TYR 53 HD2 TYR 53 9.960 -7.543 -4.942 426 HE1 TYR 53 HE1 TYR 53 13.752 -6.868 -7.981 427 HE2 TYR 53 HE2 TYR 53 11.309 -9.456 -5.633 428 HH TYR 53 HH TYR 53 14.073 -9.149 -7.806 429 H LYS 54 H LYS 54 9.373 -3.942 -3.125 430 HA LYS 54 HA LYS 54 7.156 -2.460 -3.639 431 1HB LYS 54 1HB LYS 54 8.599 -2.883 -0.960 432 2HB LYS 54 2HB LYS 54 6.879 -2.463 -1.141 433 1HG LYS 54 1HG LYS 54 8.138 -5.089 -2.111 434 2HG LYS 54 2HG LYS 54 7.366 -4.811 -0.522 435 1HD LYS 54 1HD LYS 54 5.186 -4.494 -1.482 436 2HD LYS 54 2HD LYS 54 5.874 -4.273 -3.118 437 1HE LYS 54 1HE LYS 54 4.816 -6.505 -2.982 438 2HE LYS 54 2HE LYS 54 6.602 -6.656 -3.194 439 1HZ LYS 54 1HZ LYS 54 5.050 -7.057 -0.674 440 2HZ LYS 54 2HZ LYS 54 6.721 -6.957 -0.718 441 3HZ LYS 54 3HZ LYS 54 5.952 -8.179 -1.561 442 H TRP 55 H TRP 55 10.092 -1.398 -1.855 443 HA TRP 55 HA TRP 55 9.061 1.164 -1.464 444 1HB TRP 55 1HB TRP 55 10.844 -0.243 -0.147 445 2HB TRP 55 2HB TRP 55 12.029 0.508 -1.265 446 HD1 TRP 55 HD1 TRP 55 9.699 1.282 1.748 447 HE1 TRP 55 HE1 TRP 55 9.452 3.813 2.003 448 HE3 TRP 55 HE3 TRP 55 12.924 2.764 -1.866 449 HZ2 TRP 55 HZ2 TRP 55 11.157 6.051 1.403 450 HZ3 TRP 55 HZ3 TRP 55 13.699 5.090 -1.875 451 HH2 TRP 55 HH2 TRP 55 12.819 6.712 -0.285 452 H GLU 56 H GLU 56 10.889 -0.220 -4.122 453 HA GLU 56 HA GLU 56 11.752 2.246 -5.220 454 1HB GLU 56 1HB GLU 56 12.863 0.144 -5.729 455 2HB GLU 56 2HB GLU 56 11.352 -0.573 -6.354 456 1HG GLU 56 1HG GLU 56 11.355 0.997 -8.297 457 2HG GLU 56 2HG GLU 56 12.780 1.861 -7.606 458 H ALA 57 H ALA 57 8.894 0.160 -5.600 459 HA ALA 57 HA ALA 57 7.677 1.627 -7.657 460 1HB ALA 57 1HB ALA 57 6.502 -0.192 -5.452 461 2HB ALA 57 2HB ALA 57 7.113 -0.750 -7.049 462 3HB ALA 57 3HB ALA 57 5.661 0.301 -6.967 463 H TRP 58 H TRP 58 7.656 1.882 -4.144 464 HA TRP 58 HA TRP 58 5.676 3.840 -4.046 465 1HB TRP 58 1HB TRP 58 6.306 2.256 -2.178 466 2HB TRP 58 2HB TRP 58 7.836 3.170 -1.942 467 HD1 TRP 58 HD1 TRP 58 4.565 5.125 -2.489 468 HE1 TRP 58 HE1 TRP 58 3.789 6.003 -0.150 469 HE3 TRP 58 HE3 TRP 58 7.711 2.518 0.425 470 HZ2 TRP 58 HZ2 TRP 58 4.628 5.847 2.439 471 HZ3 TRP 58 HZ3 TRP 58 7.475 2.659 2.858 472 HH2 TRP 58 HH2 TRP 58 5.944 4.201 3.867 473 H GLU 59 H GLU 59 9.231 4.017 -4.049 474 HA GLU 59 HA GLU 59 9.508 6.723 -3.707 475 1HB GLU 59 1HB GLU 59 11.249 4.992 -3.466 476 2HB GLU 59 2HB GLU 59 11.299 4.739 -5.213 477 1HG GLU 59 1HG GLU 59 11.751 7.588 -4.225 478 2HG GLU 59 2HG GLU 59 12.976 6.373 -3.737 479 H ASN 60 H ASN 60 8.486 5.047 -6.612 480 HA ASN 60 HA ASN 60 8.907 7.268 -8.340 481 1HB ASN 60 1HB ASN 60 6.950 4.889 -8.354 482 2HB ASN 60 2HB ASN 60 6.849 6.196 -9.581 483 1HD2 ASN 60 1HD2 ASN 60 8.904 3.450 -8.496 484 2HD2 ASN 60 2HD2 ASN 60 9.736 3.403 -10.025 485 H LEU 61 H LEU 61 6.358 6.502 -5.975 486 HA LEU 61 HA LEU 61 4.775 8.723 -6.985 487 1HB LEU 61 1HB LEU 61 4.177 6.791 -4.713 488 2HB LEU 61 2HB LEU 61 3.012 7.856 -5.535 489 HG LEU 61 HG LEU 61 4.440 5.390 -6.684 490 1HD1 LEU 61 1HD1 LEU 61 1.529 6.110 -6.014 491 2HD1 LEU 61 2HD1 LEU 61 2.605 5.017 -5.061 492 3HD1 LEU 61 3HD1 LEU 61 2.089 4.526 -6.730 493 1HD2 LEU 61 1HD2 LEU 61 4.205 7.037 -8.564 494 2HD2 LEU 61 2HD2 LEU 61 2.468 7.278 -8.140 495 3HD2 LEU 61 3HD2 LEU 61 3.041 5.679 -8.729 496 H LYS 62 H LYS 62 7.338 8.611 -5.064 497 HA LYS 62 HA LYS 62 7.278 8.857 -2.726 498 1HB LYS 62 1HB LYS 62 9.150 10.445 -2.691 499 2HB LYS 62 2HB LYS 62 9.261 9.279 -4.020 500 1HG LYS 62 1HG LYS 62 7.887 11.789 -4.862 501 2HG LYS 62 2HG LYS 62 9.483 12.102 -4.126 502 1HD LYS 62 1HD LYS 62 8.989 10.156 -6.428 503 2HD LYS 62 2HD LYS 62 9.465 11.868 -6.629 504 1HE LYS 62 1HE LYS 62 11.637 11.519 -5.517 505 2HE LYS 62 2HE LYS 62 11.166 9.832 -5.066 506 1HZ LYS 62 1HZ LYS 62 12.109 10.828 -7.622 507 2HZ LYS 62 2HZ LYS 62 10.737 9.907 -7.730 508 3HZ LYS 62 3HZ LYS 62 12.093 9.257 -6.943 509 H GLY 63 H GLY 63 5.960 11.824 -4.226 510 1HA GLY 63 1HA GLY 63 4.540 12.235 -1.788 511 2HA GLY 63 2HA GLY 63 5.823 13.470 -2.072 512 H LYS 64 H LYS 64 3.966 11.879 -4.649 513 HA LYS 64 HA LYS 64 2.441 14.391 -4.924 514 1HB LYS 64 1HB LYS 64 4.082 13.114 -7.062 515 2HB LYS 64 2HB LYS 64 2.372 13.486 -7.494 516 1HG LYS 64 1HG LYS 64 2.585 15.775 -6.612 517 2HG LYS 64 2HG LYS 64 4.308 15.478 -6.238 518 1HD LYS 64 1HD LYS 64 4.261 16.687 -8.333 519 2HD LYS 64 2HD LYS 64 4.753 15.011 -8.668 520 1HE LYS 64 1HE LYS 64 3.244 15.792 -10.418 521 2HE LYS 64 2HE LYS 64 2.400 14.491 -9.502 522 1HZ LYS 64 1HZ LYS 64 1.179 16.614 -10.080 523 2HZ LYS 64 2HZ LYS 64 2.049 17.366 -8.862 524 3HZ LYS 64 3HZ LYS 64 0.996 16.073 -8.494 525 H SER 65 H SER 65 2.525 11.045 -6.140 526 HA SER 65 HA SER 65 -0.248 11.078 -6.518 527 1HB SER 65 1HB SER 65 1.840 8.887 -6.707 528 2HB SER 65 2HB SER 65 0.112 8.561 -7.052 529 HG SER 65 HG SER 65 0.203 10.240 -8.599 530 H GLN 66 H GLN 66 0.499 11.494 -3.615 531 HA GLN 66 HA GLN 66 -1.085 9.744 -2.184 532 1HB GLN 66 1HB GLN 66 0.689 11.658 -1.706 533 2HB GLN 66 2HB GLN 66 -0.631 12.818 -1.984 534 1HG GLN 66 1HG GLN 66 -0.534 10.490 -0.012 535 2HG GLN 66 2HG GLN 66 -0.175 12.225 0.430 536 1HE2 GLN 66 1HE2 GLN 66 -2.259 10.002 1.056 537 2HE2 GLN 66 2HE2 GLN 66 -3.817 10.826 1.021 538 H GLU 67 H GLU 67 -1.400 12.515 -4.253 539 HA GLU 67 HA GLU 67 -4.082 13.196 -3.773 540 1HB GLU 67 1HB GLU 67 -3.692 14.960 -5.321 541 2HB GLU 67 2HB GLU 67 -2.176 14.699 -4.412 542 1HG GLU 67 1HG GLU 67 -1.360 13.306 -6.459 543 2HG GLU 67 2HG GLU 67 -2.753 14.010 -7.340 544 H ASP 68 H ASP 68 -2.342 11.316 -6.148 545 HA ASP 68 HA ASP 68 -4.727 10.381 -7.450 546 1HB ASP 68 1HB ASP 68 -1.827 9.277 -7.379 547 2HB ASP 68 2HB ASP 68 -3.103 8.735 -8.535 548 H ALA 69 H ALA 69 -2.415 8.865 -5.055 549 HA ALA 69 HA ALA 69 -3.383 6.546 -4.915 550 1HB ALA 69 1HB ALA 69 -1.588 7.193 -3.443 551 2HB ALA 69 2HB ALA 69 -2.883 6.593 -2.356 552 3HB ALA 69 3HB ALA 69 -2.653 8.357 -2.551 553 H GLU 70 H GLU 70 -4.875 8.929 -2.692 554 HA GLU 70 HA GLU 70 -7.005 7.367 -1.901 555 1HB GLU 70 1HB GLU 70 -8.086 9.421 -1.268 556 2HB GLU 70 2HB GLU 70 -6.371 9.317 -0.801 557 1HG GLU 70 1HG GLU 70 -5.678 10.995 -2.287 558 2HG GLU 70 2HG GLU 70 -6.907 10.545 -3.513 559 H LYS 71 H LYS 71 -6.865 8.744 -5.197 560 HA LYS 71 HA LYS 71 -9.668 8.158 -5.617 561 1HB LYS 71 1HB LYS 71 -7.457 9.213 -7.480 562 2HB LYS 71 2HB LYS 71 -9.208 9.183 -7.839 563 1HG LYS 71 1HG LYS 71 -9.627 11.032 -6.326 564 2HG LYS 71 2HG LYS 71 -7.973 10.934 -5.613 565 1HD LYS 71 1HD LYS 71 -6.924 11.378 -7.731 566 2HD LYS 71 2HD LYS 71 -8.502 11.355 -8.593 567 1HE LYS 71 1HE LYS 71 -9.184 13.434 -7.188 568 2HE LYS 71 2HE LYS 71 -7.445 13.533 -6.675 569 1HZ LYS 71 1HZ LYS 71 -6.911 13.488 -9.109 570 2HZ LYS 71 2HZ LYS 71 -7.726 14.875 -8.606 571 3HZ LYS 71 3HZ LYS 71 -8.559 13.663 -9.432 572 H GLU 72 H GLU 72 -6.429 7.110 -6.605 573 HA GLU 72 HA GLU 72 -7.386 5.270 -8.510 574 1HB GLU 72 1HB GLU 72 -4.787 5.599 -6.952 575 2HB GLU 72 2HB GLU 72 -4.971 4.312 -8.171 576 1HG GLU 72 1HG GLU 72 -5.518 7.237 -8.955 577 2HG GLU 72 2HG GLU 72 -3.842 6.613 -8.798 578 H TYR 73 H TYR 73 -6.920 5.147 -5.016 579 HA TYR 73 HA TYR 73 -6.351 2.463 -4.914 580 1HB TYR 73 1HB TYR 73 -5.830 4.194 -3.189 581 2HB TYR 73 2HB TYR 73 -7.537 4.157 -2.626 582 HD1 TYR 73 HD1 TYR 73 -8.139 2.506 -1.080 583 HD2 TYR 73 HD2 TYR 73 -4.579 2.004 -3.332 584 HE1 TYR 73 HE1 TYR 73 -7.507 0.599 0.327 585 HE2 TYR 73 HE2 TYR 73 -3.901 0.134 -1.889 586 HH TYR 73 HH TYR 73 -4.473 -1.220 -0.133 587 H ILE 74 H ILE 74 -9.434 4.166 -4.126 588 HA ILE 74 HA ILE 74 -11.068 2.130 -3.633 589 HB ILE 74 HB ILE 74 -11.792 4.311 -3.507 590 1HG1 ILE 74 1HG1 ILE 74 -13.400 2.664 -5.582 591 2HG1 ILE 74 2HG1 ILE 74 -13.608 2.724 -3.813 592 1HG2 ILE 74 1HG2 ILE 74 -10.504 5.344 -5.280 593 2HG2 ILE 74 2HG2 ILE 74 -12.213 5.814 -5.393 594 3HG2 ILE 74 3HG2 ILE 74 -11.569 4.596 -6.546 595 1HD1 ILE 74 1HD1 ILE 74 -15.392 3.994 -4.840 596 2HD1 ILE 74 2HD1 ILE 74 -14.265 4.880 -5.918 597 3HD1 ILE 74 3HD1 ILE 74 -14.281 5.235 -4.155 598 H ALA 75 H ALA 75 -10.162 3.082 -6.948 599 HA ALA 75 HA ALA 75 -11.762 1.054 -8.093 600 1HB ALA 75 1HB ALA 75 -11.096 3.148 -9.300 601 2HB ALA 75 2HB ALA 75 -10.589 1.689 -10.223 602 3HB ALA 75 3HB ALA 75 -9.378 2.622 -9.261 603 H LEU 76 H LEU 76 -8.290 1.087 -7.339 604 HA LEU 76 HA LEU 76 -7.644 -1.344 -8.546 605 1HB LEU 76 1HB LEU 76 -6.585 -0.087 -5.940 606 2HB LEU 76 2HB LEU 76 -5.816 -1.477 -6.758 607 HG LEU 76 HG LEU 76 -6.043 1.342 -7.930 608 1HD1 LEU 76 1HD1 LEU 76 -3.611 1.422 -7.352 609 2HD1 LEU 76 2HD1 LEU 76 -3.717 -0.234 -6.636 610 3HD1 LEU 76 3HD1 LEU 76 -4.616 1.114 -5.863 611 1HD2 LEU 76 1HD2 LEU 76 -5.913 -0.420 -9.729 612 2HD2 LEU 76 2HD2 LEU 76 -4.474 -1.134 -8.893 613 3HD2 LEU 76 3HD2 LEU 76 -4.377 0.514 -9.601 614 H VAL 77 H VAL 77 -8.810 -0.586 -5.295 615 HA VAL 77 HA VAL 77 -8.551 -3.281 -4.338 616 HB VAL 77 HB VAL 77 -9.283 -0.612 -3.182 617 1HG1 VAL 77 1HG1 VAL 77 -9.624 -3.444 -2.020 618 2HG1 VAL 77 2HG1 VAL 77 -10.807 -2.101 -1.977 619 3HG1 VAL 77 3HG1 VAL 77 -9.300 -2.003 -0.972 620 1HG2 VAL 77 1HG2 VAL 77 -7.136 -2.825 -2.900 621 2HG2 VAL 77 2HG2 VAL 77 -7.227 -1.386 -1.833 622 3HG2 VAL 77 3HG2 VAL 77 -6.882 -1.173 -3.598 623 H ASP 78 H ASP 78 -11.278 -1.343 -5.727 624 HA ASP 78 HA ASP 78 -13.114 -3.231 -4.796 625 1HB ASP 78 1HB ASP 78 -13.303 -0.802 -6.013 626 2HB ASP 78 2HB ASP 78 -13.648 -1.863 -7.432 627 H GLN 79 H GLN 79 -10.928 -3.244 -7.544 628 HA GLN 79 HA GLN 79 -11.980 -5.577 -8.743 629 1HB GLN 79 1HB GLN 79 -9.194 -4.349 -8.833 630 2HB GLN 79 2HB GLN 79 -9.765 -5.672 -9.900 631 1HG GLN 79 1HG GLN 79 -11.527 -4.209 -10.858 632 2HG GLN 79 2HG GLN 79 -11.034 -2.857 -9.793 633 1HE2 GLN 79 1HE2 GLN 79 -8.013 -3.841 -10.315 634 2HE2 GLN 79 2HE2 GLN 79 -7.707 -2.929 -11.761 635 H LEU 80 H LEU 80 -9.720 -5.055 -6.068 636 HA LEU 80 HA LEU 80 -8.807 -7.784 -5.865 637 1HB LEU 80 1HB LEU 80 -8.736 -5.462 -3.900 638 2HB LEU 80 2HB LEU 80 -8.030 -7.079 -3.687 639 HG LEU 80 HG LEU 80 -7.070 -4.836 -5.459 640 1HD1 LEU 80 1HD1 LEU 80 -5.886 -6.864 -3.448 641 2HD1 LEU 80 2HD1 LEU 80 -6.039 -5.075 -3.262 642 3HD1 LEU 80 3HD1 LEU 80 -4.879 -5.788 -4.468 643 1HD2 LEU 80 1HD2 LEU 80 -6.407 -7.800 -5.997 644 2HD2 LEU 80 2HD2 LEU 80 -5.490 -6.383 -6.624 645 3HD2 LEU 80 3HD2 LEU 80 -7.187 -6.637 -7.135 646 H ILE 81 H ILE 81 -11.131 -5.754 -4.007 647 HA ILE 81 HA ILE 81 -11.850 -7.795 -2.318 648 HB ILE 81 HB ILE 81 -12.992 -5.216 -3.204 649 1HG1 ILE 81 1HG1 ILE 81 -11.821 -6.220 -0.537 650 2HG1 ILE 81 2HG1 ILE 81 -10.965 -5.259 -1.775 651 1HG2 ILE 81 1HG2 ILE 81 -14.266 -6.984 -0.995 652 2HG2 ILE 81 2HG2 ILE 81 -15.048 -6.546 -2.568 653 3HG2 ILE 81 3HG2 ILE 81 -14.724 -5.285 -1.363 654 1HD1 ILE 81 1HD1 ILE 81 -12.649 -3.373 -1.405 655 2HD1 ILE 81 2HD1 ILE 81 -11.626 -3.754 0.034 656 3HD1 ILE 81 3HD1 ILE 81 -13.331 -4.312 -0.028 657 H ALA 82 H ALA 82 -13.250 -6.898 -5.474 658 HA ALA 82 HA ALA 82 -15.475 -8.501 -5.401 659 1HB ALA 82 1HB ALA 82 -13.567 -7.890 -7.738 660 2HB ALA 82 2HB ALA 82 -14.986 -6.902 -7.227 661 3HB ALA 82 3HB ALA 82 -15.245 -8.536 -7.912 662 H LYS 83 H LYS 83 -12.084 -9.524 -5.768 663 HA LYS 83 HA LYS 83 -12.893 -12.235 -6.396 664 1HB LYS 83 1HB LYS 83 -10.134 -11.048 -5.891 665 2HB LYS 83 2HB LYS 83 -10.490 -12.647 -6.619 666 1HG LYS 83 1HG LYS 83 -11.004 -9.862 -7.862 667 2HG LYS 83 2HG LYS 83 -9.579 -10.893 -8.110 668 1HD LYS 83 1HD LYS 83 -10.778 -11.220 -10.016 669 2HD LYS 83 2HD LYS 83 -11.150 -12.698 -9.076 670 1HE LYS 83 1HE LYS 83 -13.411 -11.892 -8.586 671 2HE LYS 83 2HE LYS 83 -12.999 -10.210 -9.113 672 1HZ LYS 83 1HZ LYS 83 -14.286 -11.549 -10.728 673 2HZ LYS 83 2HZ LYS 83 -12.926 -12.543 -10.959 674 3HZ LYS 83 3HZ LYS 83 -12.842 -10.892 -11.320 675 H TYR 84 H TYR 84 -11.678 -10.161 -3.780 676 HA TYR 84 HA TYR 84 -10.719 -12.497 -2.378 677 1HB TYR 84 1HB TYR 84 -10.076 -9.514 -2.195 678 2HB TYR 84 2HB TYR 84 -9.289 -10.774 -1.209 679 HD1 TYR 84 HD1 TYR 84 -9.258 -12.628 -4.005 680 HD2 TYR 84 HD2 TYR 84 -7.813 -8.879 -2.662 681 HE1 TYR 84 HE1 TYR 84 -7.405 -12.783 -5.564 682 HE2 TYR 84 HE2 TYR 84 -5.971 -8.995 -4.198 683 HH TYR 84 HH TYR 84 -5.582 -11.839 -6.360 684 H SER 85 H SER 85 -13.257 -10.182 -1.941 685 HA SER 85 HA SER 85 -13.346 -9.716 0.639 686 1HB SER 85 1HB SER 85 -15.026 -9.069 -1.166 687 2HB SER 85 2HB SER 85 -15.875 -10.601 -0.818 688 HG SER 85 HG SER 85 -16.491 -8.591 0.294 689 H SER 86 H SER 86 -14.714 -12.759 -0.681 690 HA SER 86 HA SER 86 -13.555 -14.135 1.465 691 1HB SER 86 1HB SER 86 -16.633 -14.025 1.338 692 2HB SER 86 2HB SER 86 -15.746 -15.396 2.088 693 HG SER 86 HG SER 86 -15.166 -12.763 2.817 Start of MODEL 6 1 1H VAL 1 1H VAL 1 -12.320 11.050 -1.918 2 2H VAL 1 2H VAL 1 -10.628 11.141 -1.881 3 3H VAL 1 3H VAL 1 -11.542 11.084 -0.453 4 HA VAL 1 HA VAL 1 -12.310 8.867 -1.112 5 HB VAL 1 HB VAL 1 -10.185 9.101 -3.255 6 1HG1 VAL 1 1HG1 VAL 1 -10.381 6.736 -2.483 7 2HG1 VAL 1 2HG1 VAL 1 -11.188 6.951 -4.062 8 3HG1 VAL 1 3HG1 VAL 1 -12.188 6.846 -2.572 9 1HG2 VAL 1 1HG2 VAL 1 -12.206 10.428 -3.876 10 2HG2 VAL 1 2HG2 VAL 1 -13.282 9.063 -3.379 11 3HG2 VAL 1 3HG2 VAL 1 -12.185 8.891 -4.788 12 H SER 2 H SER 2 -9.533 10.532 -0.008 13 HA SER 2 HA SER 2 -7.878 8.563 0.850 14 1HB SER 2 1HB SER 2 -7.341 10.313 2.636 15 2HB SER 2 2HB SER 2 -7.192 10.834 0.914 16 HG SER 2 HG SER 2 -8.304 12.363 2.148 17 H GLN 3 H GLN 3 -10.963 9.636 2.142 18 HA GLN 3 HA GLN 3 -10.788 8.206 4.507 19 1HB GLN 3 1HB GLN 3 -13.285 8.852 2.856 20 2HB GLN 3 2HB GLN 3 -13.295 8.233 4.536 21 1HG GLN 3 1HG GLN 3 -11.989 10.264 5.276 22 2HG GLN 3 2HG GLN 3 -12.102 10.920 3.604 23 1HE2 GLN 3 1HE2 GLN 3 -13.087 12.686 5.044 24 2HE2 GLN 3 2HE2 GLN 3 -14.802 12.613 5.312 25 H LEU 4 H LEU 4 -12.288 7.179 1.409 26 HA LEU 4 HA LEU 4 -13.095 4.658 2.091 27 1HB LEU 4 1HB LEU 4 -13.651 5.758 -0.120 28 2HB LEU 4 2HB LEU 4 -11.913 5.697 -0.583 29 HG LEU 4 HG LEU 4 -11.874 3.308 -0.608 30 1HD1 LEU 4 1HD1 LEU 4 -14.055 1.982 -0.489 31 2HD1 LEU 4 2HD1 LEU 4 -14.893 3.470 0.085 32 3HD1 LEU 4 3HD1 LEU 4 -13.621 2.702 1.107 33 1HD2 LEU 4 1HD2 LEU 4 -12.506 4.555 -2.671 34 2HD2 LEU 4 2HD2 LEU 4 -14.249 4.473 -2.205 35 3HD2 LEU 4 3HD2 LEU 4 -13.356 2.960 -2.597 36 H PHE 5 H PHE 5 -10.127 5.844 0.681 37 HA PHE 5 HA PHE 5 -8.695 3.691 0.129 38 1HB PHE 5 1HB PHE 5 -8.108 5.996 -0.458 39 2HB PHE 5 2HB PHE 5 -8.092 6.468 1.275 40 HD1 PHE 5 HD1 PHE 5 -6.224 4.828 -1.386 41 HD2 PHE 5 HD2 PHE 5 -6.252 6.041 2.675 42 HE1 PHE 5 HE1 PHE 5 -3.825 4.263 -1.214 43 HE2 PHE 5 HE2 PHE 5 -3.861 5.489 2.876 44 HZ PHE 5 HZ PHE 5 -2.645 4.691 0.892 45 H GLU 6 H GLU 6 -9.008 5.187 3.318 46 HA GLU 6 HA GLU 6 -7.103 3.297 4.439 47 1HB GLU 6 1HB GLU 6 -8.451 5.752 5.514 48 2HB GLU 6 2HB GLU 6 -7.967 4.480 6.674 49 1HG GLU 6 1HG GLU 6 -5.645 4.443 5.624 50 2HG GLU 6 2HG GLU 6 -6.086 5.954 4.748 51 H GLU 7 H GLU 7 -10.644 3.576 4.332 52 HA GLU 7 HA GLU 7 -11.012 1.568 6.284 53 1HB GLU 7 1HB GLU 7 -12.902 1.866 3.910 54 2HB GLU 7 2HB GLU 7 -13.234 1.347 5.589 55 1HG GLU 7 1HG GLU 7 -12.536 3.831 6.211 56 2HG GLU 7 2HG GLU 7 -12.690 4.106 4.421 57 H LYS 8 H LYS 8 -10.767 1.521 2.783 58 HA LYS 8 HA LYS 8 -11.157 -1.296 2.593 59 1HB LYS 8 1HB LYS 8 -11.209 1.044 0.869 60 2HB LYS 8 2HB LYS 8 -10.222 -0.202 0.096 61 1HG LYS 8 1HG LYS 8 -12.553 -0.310 -0.613 62 2HG LYS 8 2HG LYS 8 -12.113 -1.820 0.237 63 1HD LYS 8 1HD LYS 8 -13.366 -1.191 2.209 64 2HD LYS 8 2HD LYS 8 -13.504 0.511 1.669 65 1HE LYS 8 1HE LYS 8 -15.045 -0.113 -0.160 66 2HE LYS 8 2HE LYS 8 -14.865 -1.869 0.238 67 1HZ LYS 8 1HZ LYS 8 -15.924 -1.556 2.282 68 2HZ LYS 8 2HZ LYS 8 -16.866 -0.653 1.207 69 3HZ LYS 8 3HZ LYS 8 -15.795 0.110 2.256 70 H ALA 9 H ALA 9 -8.194 0.746 2.643 71 HA ALA 9 HA ALA 9 -6.576 -1.191 1.574 72 1HB ALA 9 1HB ALA 9 -4.734 0.021 2.728 73 2HB ALA 9 2HB ALA 9 -5.944 0.984 3.680 74 3HB ALA 9 3HB ALA 9 -5.828 1.165 1.893 75 H LYS 10 H LYS 10 -7.408 -0.450 4.916 76 HA LYS 10 HA LYS 10 -5.895 -2.427 6.198 77 1HB LYS 10 1HB LYS 10 -8.099 -0.475 6.667 78 2HB LYS 10 2HB LYS 10 -8.058 -1.829 7.844 79 1HG LYS 10 1HG LYS 10 -5.589 -0.076 7.245 80 2HG LYS 10 2HG LYS 10 -6.779 0.306 8.514 81 1HD LYS 10 1HD LYS 10 -6.446 -1.960 9.542 82 2HD LYS 10 2HD LYS 10 -5.151 -2.304 8.364 83 1HE LYS 10 1HE LYS 10 -5.139 -0.077 10.517 84 2HE LYS 10 2HE LYS 10 -4.201 -1.622 10.541 85 1HZ LYS 10 1HZ LYS 10 -2.746 0.001 9.750 86 2HZ LYS 10 2HZ LYS 10 -3.897 0.715 8.757 87 3HZ LYS 10 3HZ LYS 10 -3.236 -0.807 8.351 88 H ALA 11 H ALA 11 -8.906 -2.663 4.428 89 HA ALA 11 HA ALA 11 -9.597 -5.216 5.560 90 1HB ALA 11 1HB ALA 11 -11.236 -5.333 3.713 91 2HB ALA 11 2HB ALA 11 -10.526 -3.869 2.951 92 3HB ALA 11 3HB ALA 11 -11.355 -3.740 4.545 93 H VAL 12 H VAL 12 -8.079 -4.117 2.395 94 HA VAL 12 HA VAL 12 -7.939 -6.721 1.544 95 HB VAL 12 HB VAL 12 -6.550 -5.874 -0.299 96 1HG1 VAL 12 1HG1 VAL 12 -8.375 -4.666 -1.288 97 2HG1 VAL 12 2HG1 VAL 12 -9.089 -4.267 0.324 98 3HG1 VAL 12 3HG1 VAL 12 -9.043 -5.978 -0.250 99 1HG2 VAL 12 1HG2 VAL 12 -5.317 -4.007 0.956 100 2HG2 VAL 12 2HG2 VAL 12 -6.880 -3.128 1.070 101 3HG2 VAL 12 3HG2 VAL 12 -6.147 -3.437 -0.525 102 H ASN 13 H ASN 13 -5.706 -4.966 3.541 103 HA ASN 13 HA ASN 13 -3.574 -6.817 2.990 104 1HB ASN 13 1HB ASN 13 -4.061 -4.768 5.221 105 2HB ASN 13 2HB ASN 13 -2.663 -5.902 5.262 106 1HD2 ASN 13 1HD2 ASN 13 -4.046 -3.110 3.488 107 2HD2 ASN 13 2HD2 ASN 13 -2.540 -2.728 2.699 108 H GLU 14 H GLU 14 -6.381 -6.960 5.000 109 HA GLU 14 HA GLU 14 -5.334 -9.359 6.348 110 1HB GLU 14 1HB GLU 14 -7.018 -7.062 7.396 111 2HB GLU 14 2HB GLU 14 -6.840 -8.593 8.294 112 1HG GLU 14 1HG GLU 14 -4.359 -6.947 7.488 113 2HG GLU 14 2HG GLU 14 -5.354 -6.554 8.921 114 H LEU 15 H LEU 15 -7.067 -8.956 3.820 115 HA LEU 15 HA LEU 15 -9.485 -10.174 4.530 116 1HB LEU 15 1HB LEU 15 -7.913 -9.508 2.063 117 2HB LEU 15 2HB LEU 15 -9.144 -10.762 1.838 118 HG LEU 15 HG LEU 15 -9.668 -7.969 2.975 119 1HD1 LEU 15 1HD1 LEU 15 -9.035 -8.255 0.437 120 2HD1 LEU 15 2HD1 LEU 15 -10.544 -7.357 0.853 121 3HD1 LEU 15 3HD1 LEU 15 -10.644 -9.068 0.287 122 1HD2 LEU 15 1HD2 LEU 15 -11.693 -10.155 2.177 123 2HD2 LEU 15 2HD2 LEU 15 -12.088 -8.460 2.620 124 3HD2 LEU 15 3HD2 LEU 15 -11.393 -9.556 3.859 125 HA PRO 16 HA PRO 16 -8.043 -14.296 4.792 126 1HB PRO 16 1HB PRO 16 -10.028 -15.880 3.746 127 2HB PRO 16 2HB PRO 16 -10.275 -14.893 5.241 128 1HG PRO 16 1HG PRO 16 -11.216 -14.234 2.400 129 2HG PRO 16 2HG PRO 16 -12.089 -14.009 3.971 130 1HD PRO 16 1HD PRO 16 -10.552 -12.060 2.555 131 2HD PRO 16 2HD PRO 16 -10.987 -11.923 4.323 132 H THR 17 H THR 17 -9.003 -13.171 1.638 133 HA THR 17 HA THR 17 -7.040 -14.942 0.335 134 HB THR 17 HB THR 17 -9.264 -13.196 -0.739 135 HG1 THR 17 HG1 THR 17 -9.912 -15.190 -1.604 136 1HG2 THR 17 1HG2 THR 17 -7.166 -14.833 -2.337 137 2HG2 THR 17 2HG2 THR 17 -7.278 -13.027 -2.290 138 3HG2 THR 17 3HG2 THR 17 -8.603 -13.966 -3.019 139 H LYS 18 H LYS 18 -5.504 -13.898 1.538 140 HA LYS 18 HA LYS 18 -5.052 -11.205 1.622 141 1HB LYS 18 1HB LYS 18 -3.158 -13.604 1.820 142 2HB LYS 18 2HB LYS 18 -2.607 -11.938 2.159 143 1HG LYS 18 1HG LYS 18 -4.462 -11.709 3.873 144 2HG LYS 18 2HG LYS 18 -4.794 -13.460 3.684 145 1HD LYS 18 1HD LYS 18 -2.436 -13.978 4.334 146 2HD LYS 18 2HD LYS 18 -2.077 -12.218 4.429 147 1HE LYS 18 1HE LYS 18 -3.761 -11.980 6.291 148 2HE LYS 18 2HE LYS 18 -4.056 -13.765 6.242 149 1HZ LYS 18 1HZ LYS 18 -1.313 -12.697 6.564 150 2HZ LYS 18 2HZ LYS 18 -1.953 -14.189 7.052 151 3HZ LYS 18 3HZ LYS 18 -2.373 -12.787 7.884 152 HA PRO 19 HA PRO 19 -3.850 -9.888 -2.015 153 1HB PRO 19 1HB PRO 19 -1.205 -8.753 -0.981 154 2HB PRO 19 2HB PRO 19 -2.448 -7.919 -2.006 155 1HG PRO 19 1HG PRO 19 -2.424 -7.459 0.714 156 2HG PRO 19 2HG PRO 19 -4.006 -7.816 -0.089 157 1HD PRO 19 1HD PRO 19 -2.194 -9.766 1.429 158 2HD PRO 19 2HD PRO 19 -3.993 -9.505 1.541 159 H SER 20 H SER 20 -3.002 -10.375 -4.008 160 HA SER 20 HA SER 20 -1.189 -12.526 -4.220 161 1HB SER 20 1HB SER 20 -2.287 -10.612 -6.339 162 2HB SER 20 2HB SER 20 -1.326 -12.091 -6.705 163 HG SER 20 HG SER 20 -3.605 -12.317 -6.807 164 H THR 21 H THR 21 0.948 -12.538 -5.289 165 HA THR 21 HA THR 21 2.372 -10.734 -3.778 166 HB THR 21 HB THR 21 4.400 -11.816 -4.579 167 HG1 THR 21 HG1 THR 21 4.077 -13.620 -5.883 168 1HG2 THR 21 1HG2 THR 21 2.948 -12.722 -2.702 169 2HG2 THR 21 2HG2 THR 21 3.835 -14.004 -3.595 170 3HG2 THR 21 3HG2 THR 21 2.080 -13.755 -3.902 171 H ASP 22 H ASP 22 1.956 -10.677 -7.317 172 HA ASP 22 HA ASP 22 3.760 -8.430 -7.518 173 1HB ASP 22 1HB ASP 22 1.800 -9.644 -9.557 174 2HB ASP 22 2HB ASP 22 3.123 -8.467 -9.910 175 H GLU 23 H GLU 23 0.396 -8.836 -6.840 176 HA GLU 23 HA GLU 23 -0.307 -6.171 -7.618 177 1HB GLU 23 1HB GLU 23 -1.823 -8.198 -5.896 178 2HB GLU 23 2HB GLU 23 -2.443 -6.621 -6.467 179 1HG GLU 23 1HG GLU 23 -2.020 -7.408 -8.871 180 2HG GLU 23 2HG GLU 23 -1.708 -9.050 -8.213 181 H LEU 24 H LEU 24 0.373 -7.866 -4.491 182 HA LEU 24 HA LEU 24 0.099 -5.943 -2.734 183 1HB LEU 24 1HB LEU 24 0.708 -8.330 -2.418 184 2HB LEU 24 2HB LEU 24 2.347 -8.006 -3.048 185 HG LEU 24 HG LEU 24 2.877 -6.621 -1.075 186 1HD1 LEU 24 1HD1 LEU 24 0.681 -5.560 -0.606 187 2HD1 LEU 24 2HD1 LEU 24 1.243 -6.457 0.854 188 3HD1 LEU 24 3HD1 LEU 24 -0.035 -7.166 -0.211 189 1HD2 LEU 24 1HD2 LEU 24 1.497 -9.287 -0.365 190 2HD2 LEU 24 2HD2 LEU 24 2.743 -8.453 0.650 191 3HD2 LEU 24 3HD2 LEU 24 3.176 -9.096 -0.987 192 H LEU 25 H LEU 25 2.883 -6.135 -4.953 193 HA LEU 25 HA LEU 25 4.458 -4.148 -3.866 194 1HB LEU 25 1HB LEU 25 3.825 -4.872 -6.794 195 2HB LEU 25 2HB LEU 25 5.242 -3.900 -6.268 196 HG LEU 25 HG LEU 25 4.666 -6.860 -5.671 197 1HD1 LEU 25 1HD1 LEU 25 6.720 -7.193 -7.068 198 2HD1 LEU 25 2HD1 LEU 25 6.812 -5.406 -7.339 199 3HD1 LEU 25 3HD1 LEU 25 5.405 -6.335 -7.970 200 1HD2 LEU 25 1HD2 LEU 25 5.723 -5.966 -3.660 201 2HD2 LEU 25 2HD2 LEU 25 6.908 -5.019 -4.625 202 3HD2 LEU 25 3HD2 LEU 25 6.991 -6.830 -4.598 203 H GLU 26 H GLU 26 1.943 -3.789 -6.336 204 HA GLU 26 HA GLU 26 2.117 -0.950 -6.387 205 1HB GLU 26 1HB GLU 26 -0.008 -2.906 -7.390 206 2HB GLU 26 2HB GLU 26 -0.066 -1.139 -7.690 207 1HG GLU 26 1HG GLU 26 2.083 -1.206 -8.915 208 2HG GLU 26 2HG GLU 26 2.273 -2.954 -8.526 209 H LEU 27 H LEU 27 -0.062 -3.251 -4.758 210 HA LEU 27 HA LEU 27 -1.708 -1.222 -3.722 211 1HB LEU 27 1HB LEU 27 -1.350 -4.173 -3.157 212 2HB LEU 27 2HB LEU 27 -2.354 -3.179 -2.061 213 HG LEU 27 HG LEU 27 -3.713 -4.324 -3.652 214 1HD1 LEU 27 1HD1 LEU 27 -3.789 -1.304 -4.243 215 2HD1 LEU 27 2HD1 LEU 27 -4.489 -2.128 -2.789 216 3HD1 LEU 27 3HD1 LEU 27 -5.128 -2.488 -4.435 217 1HD2 LEU 27 1HD2 LEU 27 -2.337 -2.766 -5.931 218 2HD2 LEU 27 2HD2 LEU 27 -3.834 -3.753 -6.074 219 3HD2 LEU 27 3HD2 LEU 27 -2.282 -4.547 -5.638 220 H TYR 28 H TYR 28 1.216 -2.741 -2.346 221 HA TYR 28 HA TYR 28 1.219 -1.332 0.046 222 1HB TYR 28 1HB TYR 28 2.820 -3.118 -0.317 223 2HB TYR 28 2HB TYR 28 3.451 -2.328 -1.786 224 HD1 TYR 28 HD1 TYR 28 3.835 -2.659 1.767 225 HD2 TYR 28 HD2 TYR 28 4.745 -0.200 -1.586 226 HE1 TYR 28 HE1 TYR 28 5.844 -1.848 2.878 227 HE2 TYR 28 HE2 TYR 28 6.569 0.786 -0.417 228 HH TYR 28 HH TYR 28 7.905 -0.837 2.386 229 H ALA 29 H ALA 29 2.644 -0.415 -3.169 230 HA ALA 29 HA ALA 29 3.729 1.915 -2.386 231 1HB ALA 29 1HB ALA 29 2.418 1.256 -5.096 232 2HB ALA 29 2HB ALA 29 4.087 0.808 -4.597 233 3HB ALA 29 3HB ALA 29 3.643 2.543 -4.805 234 H LEU 30 H LEU 30 0.454 1.595 -3.810 235 HA LEU 30 HA LEU 30 -0.269 4.241 -3.314 236 1HB LEU 30 1HB LEU 30 -1.802 1.656 -3.806 237 2HB LEU 30 2HB LEU 30 -2.661 3.163 -3.359 238 HG LEU 30 HG LEU 30 -1.100 4.210 -5.327 239 1HD1 LEU 30 1HD1 LEU 30 -1.295 2.642 -7.320 240 2HD1 LEU 30 2HD1 LEU 30 -1.819 1.327 -6.203 241 3HD1 LEU 30 3HD1 LEU 30 -0.133 1.985 -6.095 242 1HD2 LEU 30 1HD2 LEU 30 -3.782 2.831 -5.804 243 2HD2 LEU 30 2HD2 LEU 30 -3.090 4.339 -6.564 244 3HD2 LEU 30 3HD2 LEU 30 -3.516 4.324 -4.796 245 H TYR 31 H TYR 31 -0.797 1.353 -1.235 246 HA TYR 31 HA TYR 31 -2.433 2.539 0.614 247 1HB TYR 31 1HB TYR 31 -2.259 0.186 0.601 248 2HB TYR 31 2HB TYR 31 -0.489 0.249 0.922 249 HD1 TYR 31 HD1 TYR 31 -3.471 2.041 2.431 250 HD2 TYR 31 HD2 TYR 31 0.028 -0.291 3.015 251 HE1 TYR 31 HE1 TYR 31 -3.787 2.222 4.797 252 HE2 TYR 31 HE2 TYR 31 -0.222 -0.043 5.447 253 HH TYR 31 HH TYR 31 -2.626 2.159 6.760 254 H LYS 32 H LYS 32 1.138 2.071 0.690 255 HA LYS 32 HA LYS 32 1.613 3.653 2.931 256 1HB LYS 32 1HB LYS 32 3.418 2.873 0.582 257 2HB LYS 32 2HB LYS 32 4.014 3.584 2.091 258 1HG LYS 32 1HG LYS 32 2.639 0.855 1.807 259 2HG LYS 32 2HG LYS 32 4.361 1.212 2.084 260 1HD LYS 32 1HD LYS 32 2.028 1.618 4.031 261 2HD LYS 32 2HD LYS 32 3.403 0.476 4.140 262 1HE LYS 32 1HE LYS 32 4.969 2.513 4.262 263 2HE LYS 32 2HE LYS 32 3.485 3.557 4.399 264 1HZ LYS 32 1HZ LYS 32 4.333 1.391 6.258 265 2HZ LYS 32 2HZ LYS 32 2.879 2.264 6.371 266 3HZ LYS 32 3HZ LYS 32 4.379 3.051 6.548 267 H GLN 33 H GLN 33 1.306 4.603 -0.498 268 HA GLN 33 HA GLN 33 2.397 7.109 -0.296 269 1HB GLN 33 1HB GLN 33 0.357 5.767 -2.036 270 2HB GLN 33 2HB GLN 33 0.442 7.551 -2.155 271 1HG GLN 33 1HG GLN 33 2.689 7.526 -3.000 272 2HG GLN 33 2HG GLN 33 2.879 5.796 -2.499 273 1HE2 GLN 33 1HE2 GLN 33 0.130 7.364 -4.273 274 2HE2 GLN 33 2HE2 GLN 33 0.315 6.354 -5.696 275 H ALA 34 H ALA 34 -1.091 6.270 0.068 276 HA ALA 34 HA ALA 34 -1.414 9.042 1.036 277 1HB ALA 34 1HB ALA 34 -3.911 8.625 0.910 278 2HB ALA 34 2HB ALA 34 -3.507 7.156 -0.056 279 3HB ALA 34 3HB ALA 34 -3.010 8.789 -0.619 280 H THR 35 H THR 35 -0.811 6.012 2.504 281 HA THR 35 HA THR 35 -2.152 6.685 4.862 282 HB THR 35 HB THR 35 0.372 5.079 4.475 283 HG1 THR 35 HG1 THR 35 -1.420 4.074 3.731 284 1HG2 THR 35 1HG2 THR 35 -1.440 5.678 6.916 285 2HG2 THR 35 2HG2 THR 35 0.346 5.979 6.805 286 3HG2 THR 35 3HG2 THR 35 -0.300 4.288 6.837 287 H VAL 36 H VAL 36 1.312 7.221 3.815 288 HA VAL 36 HA VAL 36 1.562 9.085 6.005 289 HB VAL 36 HB VAL 36 3.841 9.036 5.810 290 1HG1 VAL 36 1HG1 VAL 36 2.765 6.172 5.400 291 2HG1 VAL 36 2HG1 VAL 36 2.615 7.121 6.937 292 3HG1 VAL 36 3HG1 VAL 36 4.237 6.695 6.283 293 1HG2 VAL 36 1HG2 VAL 36 4.503 9.010 3.539 294 2HG2 VAL 36 2HG2 VAL 36 3.384 7.658 3.080 295 3HG2 VAL 36 3HG2 VAL 36 4.836 7.332 4.065 296 H GLY 37 H GLY 37 1.744 9.214 2.451 297 1HA GLY 37 1HA GLY 37 1.165 10.928 1.212 298 2HA GLY 37 2HA GLY 37 1.388 12.087 2.576 299 H ASP 38 H ASP 38 3.954 9.881 2.053 300 HA ASP 38 HA ASP 38 5.328 11.393 0.039 301 1HB ASP 38 1HB ASP 38 6.351 10.960 2.936 302 2HB ASP 38 2HB ASP 38 7.459 11.331 1.569 303 H ASN 39 H ASN 39 7.424 9.948 -0.500 304 HA ASN 39 HA ASN 39 7.153 7.269 0.519 305 1HB ASN 39 1HB ASN 39 9.324 6.766 -0.371 306 2HB ASN 39 2HB ASN 39 8.227 7.450 -1.615 307 1HD2 ASN 39 1HD2 ASN 39 11.136 7.303 -1.715 308 2HD2 ASN 39 2HD2 ASN 39 11.704 8.948 -1.821 309 H ASP 40 H ASP 40 7.619 6.653 2.504 310 HA ASP 40 HA ASP 40 8.936 8.619 4.197 311 1HB ASP 40 1HB ASP 40 6.658 8.057 4.634 312 2HB ASP 40 2HB ASP 40 7.007 6.295 4.725 313 H LYS 41 H LYS 41 8.838 5.078 4.585 314 HA LYS 41 HA LYS 41 11.188 5.165 6.086 315 1HB LYS 41 1HB LYS 41 9.577 2.867 4.863 316 2HB LYS 41 2HB LYS 41 10.866 2.620 6.064 317 1HG LYS 41 1HG LYS 41 8.283 4.204 6.640 318 2HG LYS 41 2HG LYS 41 8.568 2.470 6.920 319 1HD LYS 41 1HD LYS 41 9.174 3.161 9.016 320 2HD LYS 41 2HD LYS 41 10.747 3.274 8.207 321 1HE LYS 41 1HE LYS 41 10.636 5.299 9.418 322 2HE LYS 41 2HE LYS 41 10.097 5.811 7.756 323 1HZ LYS 41 1HZ LYS 41 8.001 6.117 8.464 324 2HZ LYS 41 2HZ LYS 41 8.764 6.384 9.961 325 3HZ LYS 41 3HZ LYS 41 8.036 4.911 9.642 326 H GLU 42 H GLU 42 12.773 6.049 4.646 327 HA GLU 42 HA GLU 42 13.661 4.522 2.423 328 1HB GLU 42 1HB GLU 42 13.643 6.993 2.651 329 2HB GLU 42 2HB GLU 42 14.904 6.882 3.901 330 1HG GLU 42 1HG GLU 42 16.380 5.669 2.104 331 2HG GLU 42 2HG GLU 42 15.142 6.143 0.898 332 H LYS 43 H LYS 43 13.667 2.674 4.072 333 HA LYS 43 HA LYS 43 16.308 1.818 3.755 334 1HB LYS 43 1HB LYS 43 16.447 2.884 6.075 335 2HB LYS 43 2HB LYS 43 15.412 1.566 6.662 336 1HG LYS 43 1HG LYS 43 17.141 -0.085 5.751 337 2HG LYS 43 2HG LYS 43 18.159 1.291 5.254 338 1HD LYS 43 1HD LYS 43 17.267 0.568 8.113 339 2HD LYS 43 2HD LYS 43 18.869 0.234 7.408 340 1HE LYS 43 1HE LYS 43 17.691 3.034 8.027 341 2HE LYS 43 2HE LYS 43 18.959 2.154 8.951 342 1HZ LYS 43 1HZ LYS 43 19.156 3.351 6.247 343 2HZ LYS 43 2HZ LYS 43 20.259 2.181 6.762 344 3HZ LYS 43 3HZ LYS 43 20.062 3.638 7.614 345 HA PRO 44 HA PRO 44 13.306 -1.623 3.650 346 1HB PRO 44 1HB PRO 44 13.462 -2.365 1.037 347 2HB PRO 44 2HB PRO 44 12.467 -0.943 1.554 348 1HG PRO 44 1HG PRO 44 15.343 -0.888 0.478 349 2HG PRO 44 2HG PRO 44 13.921 0.056 -0.144 350 1HD PRO 44 1HD PRO 44 15.719 1.085 1.732 351 2HD PRO 44 2HD PRO 44 13.945 1.505 1.774 352 H GLY 45 H GLY 45 14.129 -4.057 3.200 353 1HA GLY 45 1HA GLY 45 16.635 -4.045 4.400 354 2HA GLY 45 2HA GLY 45 15.664 -5.439 3.869 355 H ILE 46 H ILE 46 17.869 -6.281 3.638 356 HA ILE 46 HA ILE 46 19.381 -5.156 1.388 357 HB ILE 46 HB ILE 46 21.307 -6.374 2.389 358 1HG1 ILE 46 1HG1 ILE 46 19.518 -6.466 4.899 359 2HG1 ILE 46 2HG1 ILE 46 19.964 -7.913 3.938 360 1HG2 ILE 46 1HG2 ILE 46 21.689 -4.513 3.968 361 2HG2 ILE 46 2HG2 ILE 46 19.929 -4.182 4.065 362 3HG2 ILE 46 3HG2 ILE 46 20.820 -3.891 2.520 363 1HD1 ILE 46 1HD1 ILE 46 21.440 -7.725 5.881 364 2HD1 ILE 46 2HD1 ILE 46 21.935 -6.064 5.419 365 3HD1 ILE 46 3HD1 ILE 46 22.396 -7.467 4.379 366 H PHE 47 H PHE 47 18.460 -8.266 2.853 367 HA PHE 47 HA PHE 47 18.257 -9.404 0.162 368 1HB PHE 47 1HB PHE 47 18.200 -11.650 1.558 369 2HB PHE 47 2HB PHE 47 19.742 -10.840 1.173 370 HD1 PHE 47 HD1 PHE 47 17.122 -10.628 3.866 371 HD2 PHE 47 HD2 PHE 47 21.246 -10.713 2.841 372 HE1 PHE 47 HE1 PHE 47 17.692 -10.248 6.190 373 HE2 PHE 47 HE2 PHE 47 21.835 -10.395 5.190 374 HZ PHE 47 HZ PHE 47 20.078 -10.070 6.863 375 H ASN 48 H ASN 48 16.459 -7.452 1.401 376 HA ASN 48 HA ASN 48 14.111 -9.100 1.713 377 1HB ASN 48 1HB ASN 48 14.543 -7.146 3.235 378 2HB ASN 48 2HB ASN 48 14.027 -6.090 1.847 379 1HD2 ASN 48 1HD2 ASN 48 12.823 -7.369 4.587 380 2HD2 ASN 48 2HD2 ASN 48 11.214 -7.840 4.077 381 H MET 49 H MET 49 13.798 -9.924 -0.434 382 HA MET 49 HA MET 49 14.269 -8.304 -2.685 383 1HB MET 49 1HB MET 49 12.654 -10.901 -2.463 384 2HB MET 49 2HB MET 49 13.121 -10.086 -3.985 385 1HG MET 49 1HG MET 49 14.734 -11.711 -3.834 386 2HG MET 49 2HG MET 49 15.568 -10.271 -3.191 387 1HE MET 49 1HE MET 49 17.422 -11.208 -2.051 388 2HE MET 49 2HE MET 49 16.991 -12.739 -2.891 389 3HE MET 49 3HE MET 49 17.441 -12.764 -1.152 390 H LYS 50 H LYS 50 11.382 -9.199 -0.897 391 HA LYS 50 HA LYS 50 9.447 -8.117 -2.565 392 1HB LYS 50 1HB LYS 50 9.482 -8.564 0.468 393 2HB LYS 50 2HB LYS 50 8.012 -8.247 -0.509 394 1HG LYS 50 1HG LYS 50 8.402 -10.303 -1.818 395 2HG LYS 50 2HG LYS 50 9.881 -10.664 -0.873 396 1HD LYS 50 1HD LYS 50 8.535 -10.764 1.229 397 2HD LYS 50 2HD LYS 50 7.041 -10.469 0.300 398 1HE LYS 50 1HE LYS 50 8.924 -12.914 -0.018 399 2HE LYS 50 2HE LYS 50 7.335 -12.889 0.846 400 1HZ LYS 50 1HZ LYS 50 7.767 -12.361 -2.062 401 2HZ LYS 50 2HZ LYS 50 6.294 -12.240 -1.248 402 3HZ LYS 50 3HZ LYS 50 7.067 -13.727 -1.409 403 H ASP 51 H ASP 51 10.856 -6.678 0.442 404 HA ASP 51 HA ASP 51 9.532 -4.252 0.041 405 1HB ASP 51 1HB ASP 51 11.864 -4.990 1.850 406 2HB ASP 51 2HB ASP 51 11.111 -3.360 1.794 407 H ARG 52 H ARG 52 12.750 -5.244 -1.186 408 HA ARG 52 HA ARG 52 13.350 -2.673 -2.024 409 1HB ARG 52 1HB ARG 52 14.233 -5.393 -3.002 410 2HB ARG 52 2HB ARG 52 14.734 -3.891 -3.848 411 1HG ARG 52 1HG ARG 52 15.568 -2.940 -1.704 412 2HG ARG 52 2HG ARG 52 15.242 -4.503 -0.885 413 1HD ARG 52 1HD ARG 52 16.920 -5.645 -2.346 414 2HD ARG 52 2HD ARG 52 17.156 -4.101 -3.285 415 HE ARG 52 HE ARG 52 17.497 -3.809 -0.352 416 1HH1 ARG 52 1HH1 ARG 52 19.369 -5.007 -3.121 417 2HH1 ARG 52 2HH1 ARG 52 20.864 -4.429 -2.491 418 1HH2 ARG 52 1HH2 ARG 52 19.286 -2.579 0.095 419 2HH2 ARG 52 2HH2 ARG 52 20.826 -2.957 -0.596 420 H TYR 53 H TYR 53 11.376 -5.128 -3.722 421 HA TYR 53 HA TYR 53 10.967 -3.507 -5.988 422 1HB TYR 53 1HB TYR 53 9.259 -5.748 -4.752 423 2HB TYR 53 2HB TYR 53 8.928 -5.002 -6.356 424 HD1 TYR 53 HD1 TYR 53 10.134 -7.810 -4.992 425 HD2 TYR 53 HD2 TYR 53 11.271 -4.844 -7.815 426 HE1 TYR 53 HE1 TYR 53 11.576 -9.440 -6.117 427 HE2 TYR 53 HE2 TYR 53 12.695 -6.468 -8.953 428 HH TYR 53 HH TYR 53 13.058 -9.797 -7.763 429 H LYS 54 H LYS 54 9.003 -3.989 -3.012 430 HA LYS 54 HA LYS 54 6.888 -2.367 -3.657 431 1HB LYS 54 1HB LYS 54 8.336 -2.986 -1.037 432 2HB LYS 54 2HB LYS 54 6.795 -2.101 -1.069 433 1HG LYS 54 1HG LYS 54 5.547 -4.006 -1.863 434 2HG LYS 54 2HG LYS 54 7.059 -4.960 -2.119 435 1HD LYS 54 1HD LYS 54 7.678 -4.658 0.231 436 2HD LYS 54 2HD LYS 54 6.164 -3.772 0.580 437 1HE LYS 54 1HE LYS 54 4.850 -5.896 0.205 438 2HE LYS 54 2HE LYS 54 6.379 -6.746 -0.273 439 1HZ LYS 54 1HZ LYS 54 5.682 -5.589 2.386 440 2HZ LYS 54 2HZ LYS 54 7.263 -5.980 1.958 441 3HZ LYS 54 3HZ LYS 54 6.058 -7.174 2.016 442 H TRP 55 H TRP 55 9.978 -1.460 -1.992 443 HA TRP 55 HA TRP 55 9.036 1.129 -1.566 444 1HB TRP 55 1HB TRP 55 10.817 -0.269 -0.283 445 2HB TRP 55 2HB TRP 55 11.982 0.433 -1.451 446 HD1 TRP 55 HD1 TRP 55 9.712 1.364 1.608 447 HE1 TRP 55 HE1 TRP 55 9.596 3.886 1.790 448 HE3 TRP 55 HE3 TRP 55 12.924 2.621 -2.119 449 HZ2 TRP 55 HZ2 TRP 55 11.359 6.055 1.106 450 HZ3 TRP 55 HZ3 TRP 55 13.789 4.913 -2.196 451 HH2 TRP 55 HH2 TRP 55 13.044 6.595 -0.601 452 H GLU 56 H GLU 56 10.834 -0.244 -4.324 453 HA GLU 56 HA GLU 56 11.356 2.325 -5.430 454 1HB GLU 56 1HB GLU 56 11.276 -0.465 -6.660 455 2HB GLU 56 2HB GLU 56 11.480 1.030 -7.622 456 1HG GLU 56 1HG GLU 56 13.445 1.580 -5.925 457 2HG GLU 56 2HG GLU 56 13.450 -0.204 -5.658 458 H ALA 57 H ALA 57 8.604 0.030 -5.580 459 HA ALA 57 HA ALA 57 7.288 1.433 -7.604 460 1HB ALA 57 1HB ALA 57 6.772 -0.935 -6.995 461 2HB ALA 57 2HB ALA 57 5.300 0.089 -6.882 462 3HB ALA 57 3HB ALA 57 6.179 -0.392 -5.384 463 H TRP 58 H TRP 58 7.630 1.943 -4.204 464 HA TRP 58 HA TRP 58 5.466 3.744 -3.943 465 1HB TRP 58 1HB TRP 58 6.287 2.241 -2.099 466 2HB TRP 58 2HB TRP 58 7.827 3.167 -2.033 467 HD1 TRP 58 HD1 TRP 58 4.770 5.319 -2.425 468 HE1 TRP 58 HE1 TRP 58 4.105 6.305 -0.076 469 HE3 TRP 58 HE3 TRP 58 7.801 2.526 0.443 470 HZ2 TRP 58 HZ2 TRP 58 5.003 6.051 2.518 471 HZ3 TRP 58 HZ3 TRP 58 7.805 2.834 2.880 472 HH2 TRP 58 HH2 TRP 58 6.440 4.520 3.923 473 H GLU 59 H GLU 59 9.039 4.002 -3.972 474 HA GLU 59 HA GLU 59 9.388 6.680 -3.806 475 1HB GLU 59 1HB GLU 59 11.111 4.852 -3.618 476 2HB GLU 59 2HB GLU 59 10.998 4.597 -5.379 477 1HG GLU 59 1HG GLU 59 11.821 6.980 -5.743 478 2HG GLU 59 2HG GLU 59 11.949 7.164 -3.952 479 H ASN 60 H ASN 60 8.502 4.770 -6.643 480 HA ASN 60 HA ASN 60 8.762 6.699 -8.577 481 1HB ASN 60 1HB ASN 60 6.932 4.333 -8.095 482 2HB ASN 60 2HB ASN 60 6.366 5.508 -9.328 483 1HD2 ASN 60 1HD2 ASN 60 9.166 3.344 -8.514 484 2HD2 ASN 60 2HD2 ASN 60 9.715 3.251 -10.154 485 H LEU 61 H LEU 61 6.299 6.625 -6.060 486 HA LEU 61 HA LEU 61 5.304 9.184 -7.129 487 1HB LEU 61 1HB LEU 61 3.745 6.814 -6.136 488 2HB LEU 61 2HB LEU 61 3.143 8.426 -5.690 489 HG LEU 61 HG LEU 61 3.235 9.155 -8.084 490 1HD1 LEU 61 1HD1 LEU 61 4.696 7.578 -9.161 491 2HD1 LEU 61 2HD1 LEU 61 3.047 7.176 -9.768 492 3HD1 LEU 61 3HD1 LEU 61 3.807 6.159 -8.465 493 1HD2 LEU 61 1HD2 LEU 61 1.421 6.754 -7.419 494 2HD2 LEU 61 2HD2 LEU 61 1.075 8.060 -8.620 495 3HD2 LEU 61 3HD2 LEU 61 1.159 8.457 -6.856 496 H LYS 62 H LYS 62 7.511 8.745 -5.440 497 HA LYS 62 HA LYS 62 7.392 9.247 -2.932 498 1HB LYS 62 1HB LYS 62 9.460 10.705 -3.230 499 2HB LYS 62 2HB LYS 62 9.445 9.176 -4.131 500 1HG LYS 62 1HG LYS 62 8.588 10.543 -6.179 501 2HG LYS 62 2HG LYS 62 9.065 12.004 -5.262 502 1HD LYS 62 1HD LYS 62 10.860 9.571 -5.840 503 2HD LYS 62 2HD LYS 62 10.766 10.995 -6.916 504 1HE LYS 62 1HE LYS 62 11.657 12.492 -5.158 505 2HE LYS 62 2HE LYS 62 11.661 11.148 -3.951 506 1HZ LYS 62 1HZ LYS 62 13.122 10.654 -6.442 507 2HZ LYS 62 2HZ LYS 62 13.470 10.247 -4.835 508 3HZ LYS 62 3HZ LYS 62 13.762 11.810 -5.386 509 H GLY 63 H GLY 63 6.400 11.990 -4.988 510 1HA GLY 63 1HA GLY 63 6.264 13.572 -2.506 511 2HA GLY 63 2HA GLY 63 6.414 14.163 -4.191 512 H LYS 64 H LYS 64 4.364 12.658 -5.388 513 HA LYS 64 HA LYS 64 2.269 14.484 -4.468 514 1HB LYS 64 1HB LYS 64 1.444 14.488 -6.662 515 2HB LYS 64 2HB LYS 64 3.228 14.518 -6.808 516 1HG LYS 64 1HG LYS 64 2.990 11.872 -6.978 517 2HG LYS 64 2HG LYS 64 1.281 12.216 -7.308 518 1HD LYS 64 1HD LYS 64 3.778 13.056 -8.898 519 2HD LYS 64 2HD LYS 64 2.468 11.972 -9.439 520 1HE LYS 64 1HE LYS 64 2.283 15.050 -9.054 521 2HE LYS 64 2HE LYS 64 2.386 14.137 -10.600 522 1HZ LYS 64 1HZ LYS 64 0.099 14.398 -8.766 523 2HZ LYS 64 2HZ LYS 64 0.249 12.980 -9.611 524 3HZ LYS 64 3HZ LYS 64 0.183 14.468 -10.439 525 H SER 65 H SER 65 2.992 11.848 -3.351 526 HA SER 65 HA SER 65 1.559 9.750 -3.938 527 1HB SER 65 1HB SER 65 2.092 10.717 -1.019 528 2HB SER 65 2HB SER 65 2.292 9.040 -1.598 529 HG SER 65 HG SER 65 4.106 9.893 -2.823 530 H GLN 66 H GLN 66 0.356 12.196 -1.633 531 HA GLN 66 HA GLN 66 -1.576 10.494 -0.605 532 1HB GLN 66 1HB GLN 66 -0.389 12.863 0.074 533 2HB GLN 66 2HB GLN 66 -1.947 13.501 -0.512 534 1HG GLN 66 1HG GLN 66 -3.128 11.877 1.085 535 2HG GLN 66 2HG GLN 66 -1.485 11.251 1.531 536 1HE2 GLN 66 1HE2 GLN 66 -0.935 11.982 3.550 537 2HE2 GLN 66 2HE2 GLN 66 -1.149 13.611 4.119 538 H GLU 67 H GLU 67 -1.582 12.719 -3.257 539 HA GLU 67 HA GLU 67 -4.418 12.845 -3.654 540 1HB GLU 67 1HB GLU 67 -1.960 13.657 -5.304 541 2HB GLU 67 2HB GLU 67 -3.644 14.051 -5.768 542 1HG GLU 67 1HG GLU 67 -3.931 15.473 -3.771 543 2HG GLU 67 2HG GLU 67 -2.299 15.021 -3.160 544 H ASP 68 H ASP 68 -1.561 11.136 -5.160 545 HA ASP 68 HA ASP 68 -3.455 10.135 -7.143 546 1HB ASP 68 1HB ASP 68 -0.375 10.136 -6.872 547 2HB ASP 68 2HB ASP 68 -1.257 9.316 -8.218 548 H ALA 69 H ALA 69 -1.986 8.955 -4.225 549 HA ALA 69 HA ALA 69 -2.552 6.270 -4.829 550 1HB ALA 69 1HB ALA 69 -1.322 6.576 -2.905 551 2HB ALA 69 2HB ALA 69 -2.919 6.129 -2.241 552 3HB ALA 69 3HB ALA 69 -2.400 7.876 -2.273 553 H GLU 70 H GLU 70 -4.600 8.589 -2.937 554 HA GLU 70 HA GLU 70 -6.680 7.014 -2.514 555 1HB GLU 70 1HB GLU 70 -8.121 8.829 -2.193 556 2HB GLU 70 2HB GLU 70 -6.518 9.098 -1.461 557 1HG GLU 70 1HG GLU 70 -5.902 10.759 -3.066 558 2HG GLU 70 2HG GLU 70 -7.182 10.261 -4.222 559 H LYS 71 H LYS 71 -6.395 8.686 -5.658 560 HA LYS 71 HA LYS 71 -9.102 7.848 -6.307 561 1HB LYS 71 1HB LYS 71 -7.283 10.038 -7.061 562 2HB LYS 71 2HB LYS 71 -7.831 9.190 -8.521 563 1HG LYS 71 1HG LYS 71 -9.454 10.854 -8.247 564 2HG LYS 71 2HG LYS 71 -10.220 9.364 -7.644 565 1HD LYS 71 1HD LYS 71 -10.845 10.927 -6.063 566 2HD LYS 71 2HD LYS 71 -9.428 10.173 -5.257 567 1HE LYS 71 1HE LYS 71 -8.003 12.116 -5.872 568 2HE LYS 71 2HE LYS 71 -9.324 12.796 -6.903 569 1HZ LYS 71 1HZ LYS 71 -9.304 13.910 -4.803 570 2HZ LYS 71 2HZ LYS 71 -9.384 12.434 -3.950 571 3HZ LYS 71 3HZ LYS 71 -10.686 12.951 -4.875 572 H GLU 72 H GLU 72 -5.885 6.745 -6.951 573 HA GLU 72 HA GLU 72 -6.938 5.039 -9.075 574 1HB GLU 72 1HB GLU 72 -4.114 5.257 -7.975 575 2HB GLU 72 2HB GLU 72 -4.669 4.276 -9.375 576 1HG GLU 72 1HG GLU 72 -5.567 6.643 -10.288 577 2HG GLU 72 2HG GLU 72 -4.430 7.327 -9.079 578 H TYR 73 H TYR 73 -6.213 4.965 -5.634 579 HA TYR 73 HA TYR 73 -5.927 2.260 -5.407 580 1HB TYR 73 1HB TYR 73 -5.429 4.122 -3.676 581 2HB TYR 73 2HB TYR 73 -7.164 4.078 -3.243 582 HD1 TYR 73 HD1 TYR 73 -7.680 2.598 -1.477 583 HD2 TYR 73 HD2 TYR 73 -4.275 1.807 -3.891 584 HE1 TYR 73 HE1 TYR 73 -6.991 0.828 0.064 585 HE2 TYR 73 HE2 TYR 73 -3.519 0.117 -2.302 586 HH TYR 73 HH TYR 73 -3.919 -0.959 -0.471 587 H ILE 74 H ILE 74 -8.952 4.177 -4.790 588 HA ILE 74 HA ILE 74 -10.720 2.341 -4.267 589 HB ILE 74 HB ILE 74 -11.182 4.606 -4.437 590 1HG1 ILE 74 1HG1 ILE 74 -12.919 3.165 -6.548 591 2HG1 ILE 74 2HG1 ILE 74 -13.085 2.961 -4.783 592 1HG2 ILE 74 1HG2 ILE 74 -10.946 4.514 -7.495 593 2HG2 ILE 74 2HG2 ILE 74 -9.715 5.215 -6.369 594 3HG2 ILE 74 3HG2 ILE 74 -11.351 5.919 -6.463 595 1HD1 ILE 74 1HD1 ILE 74 -14.769 4.552 -5.567 596 2HD1 ILE 74 2HD1 ILE 74 -13.539 5.556 -6.404 597 3HD1 ILE 74 3HD1 ILE 74 -13.560 5.475 -4.604 598 H ALA 75 H ALA 75 -9.749 2.894 -7.646 599 HA ALA 75 HA ALA 75 -11.448 0.797 -8.530 600 1HB ALA 75 1HB ALA 75 -10.907 2.847 -9.907 601 2HB ALA 75 2HB ALA 75 -10.476 1.341 -10.788 602 3HB ALA 75 3HB ALA 75 -9.188 2.320 -9.989 603 H LEU 76 H LEU 76 -8.142 0.712 -7.423 604 HA LEU 76 HA LEU 76 -7.619 -1.857 -8.607 605 1HB LEU 76 1HB LEU 76 -6.468 -0.487 -6.100 606 2HB LEU 76 2HB LEU 76 -5.875 -2.030 -6.781 607 HG LEU 76 HG LEU 76 -5.787 0.663 -8.243 608 1HD1 LEU 76 1HD1 LEU 76 -4.469 0.548 -6.085 609 2HD1 LEU 76 2HD1 LEU 76 -3.410 0.699 -7.554 610 3HD1 LEU 76 3HD1 LEU 76 -3.597 -0.891 -6.714 611 1HD2 LEU 76 1HD2 LEU 76 -4.475 -2.079 -8.838 612 2HD2 LEU 76 2HD2 LEU 76 -4.101 -0.543 -9.700 613 3HD2 LEU 76 3HD2 LEU 76 -5.746 -1.267 -9.829 614 H VAL 77 H VAL 77 -8.619 -0.630 -5.379 615 HA VAL 77 HA VAL 77 -8.583 -3.194 -4.247 616 HB VAL 77 HB VAL 77 -9.327 -0.477 -3.257 617 1HG1 VAL 77 1HG1 VAL 77 -9.429 -1.765 -0.975 618 2HG1 VAL 77 2HG1 VAL 77 -9.717 -3.247 -1.945 619 3HG1 VAL 77 3HG1 VAL 77 -10.901 -1.896 -2.025 620 1HG2 VAL 77 1HG2 VAL 77 -7.228 -2.687 -2.733 621 2HG2 VAL 77 2HG2 VAL 77 -7.311 -1.157 -1.800 622 3HG2 VAL 77 3HG2 VAL 77 -6.907 -1.110 -3.558 623 H ASP 78 H ASP 78 -11.221 -1.365 -5.865 624 HA ASP 78 HA ASP 78 -13.163 -3.040 -4.810 625 1HB ASP 78 1HB ASP 78 -13.362 -0.831 -6.197 626 2HB ASP 78 2HB ASP 78 -13.229 -1.908 -7.647 627 H GLN 79 H GLN 79 -11.009 -3.441 -7.603 628 HA GLN 79 HA GLN 79 -12.252 -5.871 -8.438 629 1HB GLN 79 1HB GLN 79 -9.539 -4.670 -9.173 630 2HB GLN 79 2HB GLN 79 -10.306 -6.070 -9.972 631 1HG GLN 79 1HG GLN 79 -11.313 -3.160 -9.972 632 2HG GLN 79 2HG GLN 79 -10.642 -4.080 -11.360 633 1HE2 GLN 79 1HE2 GLN 79 -11.950 -6.326 -11.708 634 2HE2 GLN 79 2HE2 GLN 79 -13.687 -6.146 -11.610 635 H LEU 80 H LEU 80 -9.721 -5.048 -6.152 636 HA LEU 80 HA LEU 80 -8.738 -7.704 -5.801 637 1HB LEU 80 1HB LEU 80 -8.633 -5.157 -4.154 638 2HB LEU 80 2HB LEU 80 -8.283 -6.736 -3.404 639 HG LEU 80 HG LEU 80 -6.564 -7.234 -5.107 640 1HD1 LEU 80 1HD1 LEU 80 -7.178 -5.618 -6.932 641 2HD1 LEU 80 2HD1 LEU 80 -5.474 -5.450 -6.387 642 3HD1 LEU 80 3HD1 LEU 80 -6.709 -4.250 -5.845 643 1HD2 LEU 80 1HD2 LEU 80 -4.864 -5.993 -3.924 644 2HD2 LEU 80 2HD2 LEU 80 -6.184 -6.324 -2.745 645 3HD2 LEU 80 3HD2 LEU 80 -6.031 -4.678 -3.468 646 H ILE 81 H ILE 81 -11.077 -5.688 -3.934 647 HA ILE 81 HA ILE 81 -11.787 -7.628 -2.168 648 HB ILE 81 HB ILE 81 -12.997 -5.235 -3.350 649 1HG1 ILE 81 1HG1 ILE 81 -11.021 -5.272 -1.642 650 2HG1 ILE 81 2HG1 ILE 81 -12.303 -4.039 -1.496 651 1HG2 ILE 81 1HG2 ILE 81 -15.066 -6.400 -2.758 652 2HG2 ILE 81 2HG2 ILE 81 -14.788 -5.137 -1.526 653 3HG2 ILE 81 3HG2 ILE 81 -14.422 -6.857 -1.136 654 1HD1 ILE 81 1HD1 ILE 81 -12.360 -6.640 0.152 655 2HD1 ILE 81 2HD1 ILE 81 -13.337 -5.153 0.401 656 3HD1 ILE 81 3HD1 ILE 81 -11.570 -5.117 0.718 657 H ALA 82 H ALA 82 -13.348 -6.898 -5.335 658 HA ALA 82 HA ALA 82 -15.412 -8.652 -5.205 659 1HB ALA 82 1HB ALA 82 -13.584 -8.003 -7.592 660 2HB ALA 82 2HB ALA 82 -14.987 -7.023 -7.043 661 3HB ALA 82 3HB ALA 82 -15.258 -8.672 -7.705 662 H LYS 83 H LYS 83 -11.991 -9.499 -5.820 663 HA LYS 83 HA LYS 83 -12.701 -12.291 -6.143 664 1HB LYS 83 1HB LYS 83 -11.060 -11.228 -7.656 665 2HB LYS 83 2HB LYS 83 -10.051 -10.743 -6.268 666 1HG LYS 83 1HG LYS 83 -9.640 -13.133 -5.719 667 2HG LYS 83 2HG LYS 83 -10.696 -13.632 -7.088 668 1HD LYS 83 1HD LYS 83 -9.166 -12.584 -8.729 669 2HD LYS 83 2HD LYS 83 -8.296 -11.732 -7.421 670 1HE LYS 83 1HE LYS 83 -6.884 -13.583 -8.131 671 2HE LYS 83 2HE LYS 83 -7.539 -13.905 -6.459 672 1HZ LYS 83 1HZ LYS 83 -7.828 -15.888 -7.642 673 2HZ LYS 83 2HZ LYS 83 -8.378 -15.106 -9.051 674 3HZ LYS 83 3HZ LYS 83 -9.358 -15.196 -7.693 675 H TYR 84 H TYR 84 -11.198 -10.051 -3.812 676 HA TYR 84 HA TYR 84 -10.025 -12.192 -2.391 677 1HB TYR 84 1HB TYR 84 -10.036 -9.177 -1.891 678 2HB TYR 84 2HB TYR 84 -9.171 -10.385 -0.883 679 HD1 TYR 84 HD1 TYR 84 -7.437 -8.959 -1.051 680 HD2 TYR 84 HD2 TYR 84 -8.848 -10.895 -4.554 681 HE1 TYR 84 HE1 TYR 84 -5.337 -8.467 -2.169 682 HE2 TYR 84 HE2 TYR 84 -6.732 -10.458 -5.658 683 HH TYR 84 HH TYR 84 -4.676 -9.254 -5.510 684 H SER 85 H SER 85 -13.001 -10.382 -1.989 685 HA SER 85 HA SER 85 -13.551 -10.717 0.591 686 1HB SER 85 1HB SER 85 -15.421 -11.310 -1.754 687 2HB SER 85 2HB SER 85 -15.968 -11.162 -0.048 688 HG SER 85 HG SER 85 -14.799 -9.211 -1.702 689 H SER 86 H SER 86 -14.213 -13.455 -1.703 690 HA SER 86 HA SER 86 -13.334 -15.273 0.239 691 1HB SER 86 1HB SER 86 -15.699 -14.800 1.122 692 2HB SER 86 2HB SER 86 -16.323 -15.494 -0.409 693 HG SER 86 HG SER 86 -16.182 -17.086 1.199 Start of MODEL 7 1 1H VAL 1 1H VAL 1 -10.895 9.106 -4.288 2 2H VAL 1 2H VAL 1 -10.160 10.499 -3.655 3 3H VAL 1 3H VAL 1 -11.723 10.528 -4.199 4 HA VAL 1 HA VAL 1 -11.730 10.538 -1.850 5 HB VAL 1 HB VAL 1 -12.689 7.786 -2.645 6 1HG1 VAL 1 1HG1 VAL 1 -12.970 8.660 -0.219 7 2HG1 VAL 1 2HG1 VAL 1 -14.526 8.393 -1.094 8 3HG1 VAL 1 3HG1 VAL 1 -13.877 10.053 -0.899 9 1HG2 VAL 1 1HG2 VAL 1 -14.774 8.956 -3.438 10 2HG2 VAL 1 2HG2 VAL 1 -13.388 9.186 -4.537 11 3HG2 VAL 1 3HG2 VAL 1 -13.898 10.518 -3.419 12 H SER 2 H SER 2 -9.777 10.546 -0.727 13 HA SER 2 HA SER 2 -8.347 8.280 -0.010 14 1HB SER 2 1HB SER 2 -8.487 11.117 1.070 15 2HB SER 2 2HB SER 2 -7.542 9.839 1.898 16 HG SER 2 HG SER 2 -7.129 10.851 -0.699 17 H GLN 3 H GLN 3 -11.386 9.623 1.272 18 HA GLN 3 HA GLN 3 -11.174 8.237 3.675 19 1HB GLN 3 1HB GLN 3 -12.759 10.043 3.308 20 2HB GLN 3 2HB GLN 3 -13.666 9.077 2.112 21 1HG GLN 3 1HG GLN 3 -14.399 7.480 3.845 22 2HG GLN 3 2HG GLN 3 -13.240 8.172 5.029 23 1HE2 GLN 3 1HE2 GLN 3 -14.344 9.268 6.569 24 2HE2 GLN 3 2HE2 GLN 3 -15.686 10.341 6.289 25 H LEU 4 H LEU 4 -12.436 7.248 0.511 26 HA LEU 4 HA LEU 4 -13.405 4.721 1.216 27 1HB LEU 4 1HB LEU 4 -13.853 5.743 -1.051 28 2HB LEU 4 2HB LEU 4 -12.085 5.716 -1.405 29 HG LEU 4 HG LEU 4 -11.996 3.311 -1.285 30 1HD1 LEU 4 1HD1 LEU 4 -13.906 2.745 0.244 31 2HD1 LEU 4 2HD1 LEU 4 -14.122 1.936 -1.349 32 3HD1 LEU 4 3HD1 LEU 4 -15.078 3.412 -0.955 33 1HD2 LEU 4 1HD2 LEU 4 -13.216 2.876 -3.428 34 2HD2 LEU 4 2HD2 LEU 4 -12.391 4.486 -3.448 35 3HD2 LEU 4 3HD2 LEU 4 -14.177 4.382 -3.199 36 H PHE 5 H PHE 5 -10.313 5.882 -0.066 37 HA PHE 5 HA PHE 5 -8.861 3.671 -0.288 38 1HB PHE 5 1HB PHE 5 -8.122 5.937 -0.958 39 2HB PHE 5 2HB PHE 5 -8.196 6.469 0.763 40 HD1 PHE 5 HD1 PHE 5 -6.193 4.758 -1.712 41 HD2 PHE 5 HD2 PHE 5 -6.566 5.890 2.361 42 HE1 PHE 5 HE1 PHE 5 -3.855 4.093 -1.323 43 HE2 PHE 5 HE2 PHE 5 -4.229 5.277 2.768 44 HZ PHE 5 HZ PHE 5 -2.865 4.442 0.913 45 H GLU 6 H GLU 6 -9.405 5.406 2.779 46 HA GLU 6 HA GLU 6 -7.657 3.543 4.146 47 1HB GLU 6 1HB GLU 6 -9.232 5.946 5.059 48 2HB GLU 6 2HB GLU 6 -8.766 4.712 6.268 49 1HG GLU 6 1HG GLU 6 -6.373 4.836 5.486 50 2HG GLU 6 2HG GLU 6 -6.820 6.239 4.458 51 H GLU 7 H GLU 7 -11.160 3.897 3.775 52 HA GLU 7 HA GLU 7 -11.902 1.945 5.636 53 1HB GLU 7 1HB GLU 7 -13.531 3.451 4.860 54 2HB GLU 7 2HB GLU 7 -13.077 3.243 3.153 55 1HG GLU 7 1HG GLU 7 -14.174 1.154 2.920 56 2HG GLU 7 2HG GLU 7 -14.331 0.908 4.698 57 H LYS 8 H LYS 8 -11.243 1.722 2.143 58 HA LYS 8 HA LYS 8 -11.687 -1.107 2.209 59 1HB LYS 8 1HB LYS 8 -11.959 1.032 0.355 60 2HB LYS 8 2HB LYS 8 -10.712 -0.014 -0.338 61 1HG LYS 8 1HG LYS 8 -12.899 -0.631 -1.183 62 2HG LYS 8 2HG LYS 8 -12.309 -1.963 -0.136 63 1HD LYS 8 1HD LYS 8 -13.761 -1.271 1.696 64 2HD LYS 8 2HD LYS 8 -14.239 0.226 0.859 65 1HE LYS 8 1HE LYS 8 -14.855 -2.586 -0.288 66 2HE LYS 8 2HE LYS 8 -15.920 -1.760 0.916 67 1HZ LYS 8 1HZ LYS 8 -15.203 -0.685 -1.780 68 2HZ LYS 8 2HZ LYS 8 -16.124 0.096 -0.579 69 3HZ LYS 8 3HZ LYS 8 -16.675 -1.310 -1.309 70 H ALA 9 H ALA 9 -8.738 0.959 2.319 71 HA ALA 9 HA ALA 9 -7.067 -1.039 1.409 72 1HB ALA 9 1HB ALA 9 -5.295 0.182 2.654 73 2HB ALA 9 2HB ALA 9 -6.548 1.230 3.453 74 3HB ALA 9 3HB ALA 9 -6.261 1.319 1.680 75 H LYS 10 H LYS 10 -8.121 -0.093 4.656 76 HA LYS 10 HA LYS 10 -6.602 -1.904 6.130 77 1HB LYS 10 1HB LYS 10 -9.140 -0.292 6.427 78 2HB LYS 10 2HB LYS 10 -8.611 -1.398 7.772 79 1HG LYS 10 1HG LYS 10 -6.341 -0.206 7.700 80 2HG LYS 10 2HG LYS 10 -7.078 1.020 6.626 81 1HD LYS 10 1HD LYS 10 -7.983 0.285 9.480 82 2HD LYS 10 2HD LYS 10 -6.975 1.694 9.025 83 1HE LYS 10 1HE LYS 10 -8.893 2.613 7.651 84 2HE LYS 10 2HE LYS 10 -9.931 1.237 8.212 85 1HZ LYS 10 1HZ LYS 10 -8.560 3.243 9.924 86 2HZ LYS 10 2HZ LYS 10 -9.536 1.971 10.489 87 3HZ LYS 10 3HZ LYS 10 -10.190 3.246 9.556 88 H ALA 11 H ALA 11 -9.468 -2.438 4.232 89 HA ALA 11 HA ALA 11 -10.079 -4.963 5.457 90 1HB ALA 11 1HB ALA 11 -11.866 -3.604 4.323 91 2HB ALA 11 2HB ALA 11 -11.650 -5.193 3.505 92 3HB ALA 11 3HB ALA 11 -10.960 -3.705 2.775 93 H VAL 12 H VAL 12 -8.580 -3.942 2.263 94 HA VAL 12 HA VAL 12 -8.265 -6.561 1.523 95 HB VAL 12 HB VAL 12 -6.919 -5.757 -0.327 96 1HG1 VAL 12 1HG1 VAL 12 -9.401 -5.891 -0.279 97 2HG1 VAL 12 2HG1 VAL 12 -8.751 -4.616 -1.373 98 3HG1 VAL 12 3HG1 VAL 12 -9.476 -4.155 0.216 99 1HG2 VAL 12 1HG2 VAL 12 -6.570 -3.314 -0.647 100 2HG2 VAL 12 2HG2 VAL 12 -5.696 -3.830 0.828 101 3HG2 VAL 12 3HG2 VAL 12 -7.273 -2.975 0.962 102 H ASN 13 H ASN 13 -6.198 -4.560 3.479 103 HA ASN 13 HA ASN 13 -3.902 -6.206 3.052 104 1HB ASN 13 1HB ASN 13 -4.618 -4.018 5.067 105 2HB ASN 13 2HB ASN 13 -3.091 -4.960 5.209 106 1HD2 ASN 13 1HD2 ASN 13 -4.739 -2.463 3.305 107 2HD2 ASN 13 2HD2 ASN 13 -3.323 -2.043 2.383 108 H GLU 14 H GLU 14 -6.713 -6.815 4.869 109 HA GLU 14 HA GLU 14 -5.261 -8.975 6.214 110 1HB GLU 14 1HB GLU 14 -6.278 -8.615 8.305 111 2HB GLU 14 2HB GLU 14 -5.588 -7.051 7.781 112 1HG GLU 14 1HG GLU 14 -7.865 -6.238 7.130 113 2HG GLU 14 2HG GLU 14 -8.567 -7.826 7.593 114 H LEU 15 H LEU 15 -7.381 -8.557 3.896 115 HA LEU 15 HA LEU 15 -9.645 -9.873 4.731 116 1HB LEU 15 1HB LEU 15 -8.665 -8.421 2.572 117 2HB LEU 15 2HB LEU 15 -8.766 -10.031 1.843 118 HG LEU 15 HG LEU 15 -11.179 -10.032 2.023 119 1HD1 LEU 15 1HD1 LEU 15 -12.475 -8.131 3.035 120 2HD1 LEU 15 2HD1 LEU 15 -10.952 -7.469 3.730 121 3HD1 LEU 15 3HD1 LEU 15 -11.587 -9.069 4.283 122 1HD2 LEU 15 1HD2 LEU 15 -10.416 -7.173 1.257 123 2HD2 LEU 15 2HD2 LEU 15 -11.731 -8.213 0.585 124 3HD2 LEU 15 3HD2 LEU 15 -10.008 -8.606 0.249 125 HA PRO 16 HA PRO 16 -8.236 -13.927 4.787 126 1HB PRO 16 1HB PRO 16 -10.436 -15.483 4.336 127 2HB PRO 16 2HB PRO 16 -10.434 -14.264 5.683 128 1HG PRO 16 1HG PRO 16 -11.646 -13.900 2.875 129 2HG PRO 16 2HG PRO 16 -12.422 -13.570 4.483 130 1HD PRO 16 1HD PRO 16 -11.003 -11.736 2.862 131 2HD PRO 16 2HD PRO 16 -11.216 -11.493 4.670 132 H THR 17 H THR 17 -9.458 -12.714 1.808 133 HA THR 17 HA THR 17 -8.050 -14.803 0.294 134 HB THR 17 HB THR 17 -9.810 -12.610 -0.806 135 HG1 THR 17 HG1 THR 17 -11.376 -13.549 0.032 136 1HG2 THR 17 1HG2 THR 17 -9.092 -15.452 -1.851 137 2HG2 THR 17 2HG2 THR 17 -8.324 -13.905 -2.406 138 3HG2 THR 17 3HG2 THR 17 -10.072 -14.192 -2.705 139 H LYS 18 H LYS 18 -6.231 -13.872 1.336 140 HA LYS 18 HA LYS 18 -5.578 -11.288 1.434 141 1HB LYS 18 1HB LYS 18 -3.629 -13.632 1.196 142 2HB LYS 18 2HB LYS 18 -3.267 -12.044 1.949 143 1HG LYS 18 1HG LYS 18 -5.098 -12.485 3.638 144 2HG LYS 18 2HG LYS 18 -5.350 -14.103 2.918 145 1HD LYS 18 1HD LYS 18 -2.844 -14.561 3.406 146 2HD LYS 18 2HD LYS 18 -2.883 -13.045 4.373 147 1HE LYS 18 1HE LYS 18 -4.936 -14.099 5.618 148 2HE LYS 18 2HE LYS 18 -4.501 -15.655 4.809 149 1HZ LYS 18 1HZ LYS 18 -3.479 -15.607 6.913 150 2HZ LYS 18 2HZ LYS 18 -2.886 -14.032 6.698 151 3HZ LYS 18 3HZ LYS 18 -2.230 -15.337 5.827 152 HA PRO 19 HA PRO 19 -4.722 -9.907 -2.424 153 1HB PRO 19 1HB PRO 19 -2.110 -8.620 -1.524 154 2HB PRO 19 2HB PRO 19 -3.489 -7.869 -2.427 155 1HG PRO 19 1HG PRO 19 -3.216 -7.429 0.288 156 2HG PRO 19 2HG PRO 19 -4.850 -7.816 -0.388 157 1HD PRO 19 1HD PRO 19 -2.857 -9.747 0.936 158 2HD PRO 19 2HD PRO 19 -4.638 -9.524 1.242 159 H SER 20 H SER 20 -3.511 -10.280 -4.513 160 HA SER 20 HA SER 20 -1.936 -12.631 -4.276 161 1HB SER 20 1HB SER 20 -2.414 -10.903 -6.749 162 2HB SER 20 2HB SER 20 -1.548 -12.470 -6.732 163 HG SER 20 HG SER 20 -4.267 -11.990 -6.214 164 H THR 21 H THR 21 0.229 -12.925 -5.235 165 HA THR 21 HA THR 21 1.967 -11.400 -3.840 166 HB THR 21 HB THR 21 2.374 -13.661 -4.422 167 HG1 THR 21 HG1 THR 21 4.553 -13.409 -4.901 168 1HG2 THR 21 1HG2 THR 21 3.266 -14.342 -6.600 169 2HG2 THR 21 2HG2 THR 21 3.151 -12.676 -7.251 170 3HG2 THR 21 3HG2 THR 21 1.651 -13.603 -6.857 171 H ASP 22 H ASP 22 1.435 -11.039 -7.376 172 HA ASP 22 HA ASP 22 3.355 -8.934 -7.508 173 1HB ASP 22 1HB ASP 22 1.135 -9.825 -9.452 174 2HB ASP 22 2HB ASP 22 2.498 -8.716 -9.859 175 H GLU 23 H GLU 23 -0.017 -9.129 -6.786 176 HA GLU 23 HA GLU 23 -0.685 -6.417 -7.325 177 1HB GLU 23 1HB GLU 23 -1.953 -8.535 -5.508 178 2HB GLU 23 2HB GLU 23 -2.652 -6.912 -5.766 179 1HG GLU 23 1HG GLU 23 -3.039 -7.322 -8.129 180 2HG GLU 23 2HG GLU 23 -2.162 -8.895 -8.070 181 H LEU 24 H LEU 24 0.054 -8.222 -4.265 182 HA LEU 24 HA LEU 24 -0.119 -6.279 -2.499 183 1HB LEU 24 1HB LEU 24 0.266 -8.756 -2.253 184 2HB LEU 24 2HB LEU 24 1.980 -8.509 -2.694 185 HG LEU 24 HG LEU 24 2.315 -7.157 -0.610 186 1HD1 LEU 24 1HD1 LEU 24 0.451 -7.100 1.123 187 2HD1 LEU 24 2HD1 LEU 24 -0.676 -7.757 -0.128 188 3HD1 LEU 24 3HD1 LEU 24 0.069 -6.128 -0.345 189 1HD2 LEU 24 1HD2 LEU 24 2.052 -9.037 1.000 190 2HD2 LEU 24 2HD2 LEU 24 2.582 -9.668 -0.607 191 3HD2 LEU 24 3HD2 LEU 24 0.852 -9.823 -0.092 192 H LEU 25 H LEU 25 2.610 -6.620 -4.725 193 HA LEU 25 HA LEU 25 4.373 -4.864 -3.426 194 1HB LEU 25 1HB LEU 25 3.862 -5.609 -6.366 195 2HB LEU 25 2HB LEU 25 5.317 -4.707 -5.815 196 HG LEU 25 HG LEU 25 4.521 -7.561 -4.972 197 1HD1 LEU 25 1HD1 LEU 25 5.106 -7.311 -7.376 198 2HD1 LEU 25 2HD1 LEU 25 6.352 -8.268 -6.481 199 3HD1 LEU 25 3HD1 LEU 25 6.675 -6.547 -6.928 200 1HD2 LEU 25 1HD2 LEU 25 6.853 -7.670 -4.030 201 2HD2 LEU 25 2HD2 LEU 25 5.844 -6.448 -3.177 202 3HD2 LEU 25 3HD2 LEU 25 7.067 -5.912 -4.385 203 H GLU 26 H GLU 26 2.024 -4.304 -6.036 204 HA GLU 26 HA GLU 26 2.541 -1.476 -6.024 205 1HB GLU 26 1HB GLU 26 2.109 -2.875 -8.026 206 2HB GLU 26 2HB GLU 26 0.418 -3.111 -7.507 207 1HG GLU 26 1HG GLU 26 -0.085 -0.726 -7.837 208 2HG GLU 26 2HG GLU 26 1.665 -0.307 -7.946 209 H LEU 27 H LEU 27 0.044 -3.639 -4.751 210 HA LEU 27 HA LEU 27 -1.622 -1.538 -3.852 211 1HB LEU 27 1HB LEU 27 -1.473 -4.523 -3.398 212 2HB LEU 27 2HB LEU 27 -2.507 -3.533 -2.337 213 HG LEU 27 HG LEU 27 -3.775 -4.564 -4.139 214 1HD1 LEU 27 1HD1 LEU 27 -3.736 -1.498 -4.391 215 2HD1 LEU 27 2HD1 LEU 27 -4.529 -2.441 -3.065 216 3HD1 LEU 27 3HD1 LEU 27 -5.097 -2.614 -4.766 217 1HD2 LEU 27 1HD2 LEU 27 -2.132 -4.551 -6.021 218 2HD2 LEU 27 2HD2 LEU 27 -2.249 -2.758 -6.119 219 3HD2 LEU 27 3HD2 LEU 27 -3.691 -3.776 -6.477 220 H TYR 28 H TYR 28 1.214 -3.125 -2.408 221 HA TYR 28 HA TYR 28 1.078 -1.769 0.029 222 1HB TYR 28 1HB TYR 28 2.684 -3.531 -0.228 223 2HB TYR 28 2HB TYR 28 3.370 -2.794 -1.697 224 HD1 TYR 28 HD1 TYR 28 3.678 -3.068 1.852 225 HD2 TYR 28 HD2 TYR 28 4.696 -0.684 -1.521 226 HE1 TYR 28 HE1 TYR 28 5.634 -2.213 3.020 227 HE2 TYR 28 HE2 TYR 28 6.413 0.398 -0.288 228 HH TYR 28 HH TYR 28 7.551 -1.000 2.819 229 H ALA 29 H ALA 29 2.688 -0.812 -3.076 230 HA ALA 29 HA ALA 29 3.674 1.521 -2.248 231 1HB ALA 29 1HB ALA 29 2.517 0.855 -5.025 232 2HB ALA 29 2HB ALA 29 4.168 0.445 -4.436 233 3HB ALA 29 3HB ALA 29 3.691 2.167 -4.671 234 H LEU 30 H LEU 30 0.452 1.228 -3.807 235 HA LEU 30 HA LEU 30 -0.199 3.907 -3.395 236 1HB LEU 30 1HB LEU 30 -1.792 1.356 -3.911 237 2HB LEU 30 2HB LEU 30 -2.633 2.898 -3.565 238 HG LEU 30 HG LEU 30 -0.839 3.788 -5.459 239 1HD1 LEU 30 1HD1 LEU 30 -1.779 0.955 -6.277 240 2HD1 LEU 30 2HD1 LEU 30 -0.054 1.488 -6.137 241 3HD1 LEU 30 3HD1 LEU 30 -1.117 2.185 -7.423 242 1HD2 LEU 30 1HD2 LEU 30 -3.629 2.708 -6.059 243 2HD2 LEU 30 2HD2 LEU 30 -2.709 4.119 -6.774 244 3HD2 LEU 30 3HD2 LEU 30 -3.259 4.178 -5.049 245 H TYR 31 H TYR 31 -0.833 1.094 -1.267 246 HA TYR 31 HA TYR 31 -2.584 2.396 0.461 247 1HB TYR 31 1HB TYR 31 -2.539 0.042 0.460 248 2HB TYR 31 2HB TYR 31 -0.780 -0.002 0.850 249 HD1 TYR 31 HD1 TYR 31 -0.350 -0.548 2.956 250 HD2 TYR 31 HD2 TYR 31 -3.748 1.915 2.290 251 HE1 TYR 31 HE1 TYR 31 -0.776 -0.475 5.359 252 HE2 TYR 31 HE2 TYR 31 -4.289 1.847 4.627 253 HH TYR 31 HH TYR 31 -2.160 0.286 7.005 254 H LYS 32 H LYS 32 0.937 1.733 0.683 255 HA LYS 32 HA LYS 32 1.439 3.356 2.891 256 1HB LYS 32 1HB LYS 32 3.303 2.460 0.643 257 2HB LYS 32 2HB LYS 32 3.827 3.133 2.201 258 1HG LYS 32 1HG LYS 32 2.398 0.462 1.746 259 2HG LYS 32 2HG LYS 32 4.075 0.763 2.252 260 1HD LYS 32 1HD LYS 32 1.510 1.270 3.880 261 2HD LYS 32 2HD LYS 32 2.755 0.008 4.121 262 1HE LYS 32 1HE LYS 32 4.455 1.887 4.568 263 2HE LYS 32 2HE LYS 32 3.059 3.056 4.531 264 1HZ LYS 32 1HZ LYS 32 3.684 2.271 6.768 265 2HZ LYS 32 2HZ LYS 32 3.190 0.691 6.348 266 3HZ LYS 32 3HZ LYS 32 2.081 1.954 6.356 267 H GLN 33 H GLN 33 1.211 4.248 -0.555 268 HA GLN 33 HA GLN 33 2.299 6.769 -0.304 269 1HB GLN 33 1HB GLN 33 0.215 5.551 -2.128 270 2HB GLN 33 2HB GLN 33 0.426 7.328 -2.165 271 1HG GLN 33 1HG GLN 33 2.697 7.215 -2.868 272 2HG GLN 33 2HG GLN 33 2.754 5.443 -2.511 273 1HE2 GLN 33 1HE2 GLN 33 0.223 7.378 -4.276 274 2HE2 GLN 33 2HE2 GLN 33 0.343 6.425 -5.742 275 H ALA 34 H ALA 34 -1.226 6.049 -0.277 276 HA ALA 34 HA ALA 34 -1.536 8.695 0.905 277 1HB ALA 34 1HB ALA 34 -3.101 8.561 -0.692 278 2HB ALA 34 2HB ALA 34 -4.058 8.217 0.778 279 3HB ALA 34 3HB ALA 34 -3.556 6.871 -0.314 280 H THR 35 H THR 35 -1.125 5.600 2.512 281 HA THR 35 HA THR 35 -2.458 6.602 4.765 282 HB THR 35 HB THR 35 -0.944 5.224 6.178 283 HG1 THR 35 HG1 THR 35 -0.564 3.983 3.676 284 1HG2 THR 35 1HG2 THR 35 -3.339 4.788 5.599 285 2HG2 THR 35 2HG2 THR 35 -2.355 3.289 5.685 286 3HG2 THR 35 3HG2 THR 35 -2.817 3.974 4.073 287 H VAL 36 H VAL 36 1.109 6.580 3.838 288 HA VAL 36 HA VAL 36 1.738 8.297 5.972 289 HB VAL 36 HB VAL 36 3.301 7.649 3.452 290 1HG1 VAL 36 1HG1 VAL 36 4.242 8.532 6.265 291 2HG1 VAL 36 2HG1 VAL 36 4.140 9.652 4.852 292 3HG1 VAL 36 3HG1 VAL 36 5.252 8.260 4.796 293 1HG2 VAL 36 1HG2 VAL 36 4.365 5.892 4.923 294 2HG2 VAL 36 2HG2 VAL 36 2.670 5.531 4.532 295 3HG2 VAL 36 3HG2 VAL 36 3.097 6.191 6.165 296 H GLY 37 H GLY 37 1.587 8.813 2.429 297 1HA GLY 37 1HA GLY 37 0.917 10.572 1.316 298 2HA GLY 37 2HA GLY 37 0.976 11.626 2.794 299 H ASP 38 H ASP 38 3.722 9.842 2.650 300 HA ASP 38 HA ASP 38 5.226 11.454 0.774 301 1HB ASP 38 1HB ASP 38 5.897 10.990 3.770 302 2HB ASP 38 2HB ASP 38 7.029 11.741 2.589 303 H ASN 39 H ASN 39 7.299 10.140 0.274 304 HA ASN 39 HA ASN 39 7.324 7.480 1.057 305 1HB ASN 39 1HB ASN 39 9.739 7.448 0.600 306 2HB ASN 39 2HB ASN 39 8.790 8.194 -0.718 307 1HD2 ASN 39 1HD2 ASN 39 11.393 8.692 -0.849 308 2HD2 ASN 39 2HD2 ASN 39 11.873 10.192 -0.107 309 H ASP 40 H ASP 40 8.124 6.313 2.740 310 HA ASP 40 HA ASP 40 8.597 7.967 5.132 311 1HB ASP 40 1HB ASP 40 6.377 6.563 4.763 312 2HB ASP 40 2HB ASP 40 7.378 5.182 5.303 313 H LYS 41 H LYS 41 9.084 4.432 4.796 314 HA LYS 41 HA LYS 41 11.387 4.782 6.449 315 1HB LYS 41 1HB LYS 41 10.179 2.314 5.122 316 2HB LYS 41 2HB LYS 41 11.389 2.285 6.432 317 1HG LYS 41 1HG LYS 41 9.748 3.344 7.996 318 2HG LYS 41 2HG LYS 41 8.511 3.369 6.704 319 1HD LYS 41 1HD LYS 41 9.862 0.880 7.901 320 2HD LYS 41 2HD LYS 41 8.182 1.441 8.199 321 1HE LYS 41 1HE LYS 41 7.669 1.095 5.734 322 2HE LYS 41 2HE LYS 41 9.335 0.457 5.489 323 1HZ LYS 41 1HZ LYS 41 7.178 -0.718 7.146 324 2HZ LYS 41 2HZ LYS 41 8.796 -1.203 7.277 325 3HZ LYS 41 3HZ LYS 41 7.986 -1.388 5.815 326 H GLU 42 H GLU 42 12.914 5.852 5.034 327 HA GLU 42 HA GLU 42 13.545 4.667 2.527 328 1HB GLU 42 1HB GLU 42 13.424 7.103 3.123 329 2HB GLU 42 2HB GLU 42 14.943 6.907 4.035 330 1HG GLU 42 1HG GLU 42 15.999 6.050 1.771 331 2HG GLU 42 2HG GLU 42 14.450 6.520 0.992 332 H LYS 43 H LYS 43 13.828 2.706 4.077 333 HA LYS 43 HA LYS 43 16.386 1.813 3.406 334 1HB LYS 43 1HB LYS 43 16.916 0.820 5.755 335 2HB LYS 43 2HB LYS 43 17.443 2.432 5.257 336 1HG LYS 43 1HG LYS 43 16.811 2.584 7.480 337 2HG LYS 43 2HG LYS 43 15.638 3.531 6.537 338 1HD LYS 43 1HD LYS 43 13.916 1.825 6.815 339 2HD LYS 43 2HD LYS 43 15.078 0.654 7.501 340 1HE LYS 43 1HE LYS 43 14.418 3.354 8.852 341 2HE LYS 43 2HE LYS 43 13.558 1.809 9.230 342 1HZ LYS 43 1HZ LYS 43 16.496 1.729 9.305 343 2HZ LYS 43 2HZ LYS 43 15.351 0.946 10.222 344 3HZ LYS 43 3HZ LYS 43 15.681 2.564 10.553 345 HA PRO 44 HA PRO 44 13.708 -1.736 3.405 346 1HB PRO 44 1HB PRO 44 13.850 -2.288 0.737 347 2HB PRO 44 2HB PRO 44 12.606 -1.154 1.410 348 1HG PRO 44 1HG PRO 44 15.316 -0.393 0.166 349 2HG PRO 44 2HG PRO 44 13.685 0.254 -0.282 350 1HD PRO 44 1HD PRO 44 15.326 1.550 1.535 351 2HD PRO 44 2HD PRO 44 13.522 1.515 1.768 352 H GLY 45 H GLY 45 15.006 -3.837 3.235 353 1HA GLY 45 1HA GLY 45 17.676 -3.207 3.813 354 2HA GLY 45 2HA GLY 45 16.915 -4.817 3.709 355 H ILE 46 H ILE 46 19.392 -4.877 3.003 356 HA ILE 46 HA ILE 46 19.766 -3.668 0.376 357 HB ILE 46 HB ILE 46 22.117 -3.937 0.658 358 1HG1 ILE 46 1HG1 ILE 46 22.654 -4.293 3.302 359 2HG1 ILE 46 2HG1 ILE 46 21.401 -5.541 3.115 360 1HG2 ILE 46 1HG2 ILE 46 20.796 -1.916 1.421 361 2HG2 ILE 46 2HG2 ILE 46 22.293 -2.194 2.387 362 3HG2 ILE 46 3HG2 ILE 46 20.692 -2.644 3.074 363 1HD1 ILE 46 1HD1 ILE 46 23.978 -5.208 1.408 364 2HD1 ILE 46 2HD1 ILE 46 22.771 -6.517 1.165 365 3HD1 ILE 46 3HD1 ILE 46 23.723 -6.432 2.694 366 H PHE 47 H PHE 47 20.129 -6.808 1.928 367 HA PHE 47 HA PHE 47 20.105 -8.180 -0.620 368 1HB PHE 47 1HB PHE 47 20.028 -10.230 0.998 369 2HB PHE 47 2HB PHE 47 21.499 -9.191 0.972 370 HD1 PHE 47 HD1 PHE 47 22.324 -8.342 2.879 371 HD2 PHE 47 HD2 PHE 47 18.248 -9.537 2.836 372 HE1 PHE 47 HE1 PHE 47 22.070 -7.545 5.179 373 HE2 PHE 47 HE2 PHE 47 17.991 -8.752 5.136 374 HZ PHE 47 HZ PHE 47 19.888 -7.671 6.282 375 H ASN 48 H ASN 48 17.825 -6.474 1.090 376 HA ASN 48 HA ASN 48 15.904 -8.511 1.203 377 1HB ASN 48 1HB ASN 48 16.132 -6.615 2.889 378 2HB ASN 48 2HB ASN 48 15.080 -5.679 1.746 379 1HD2 ASN 48 1HD2 ASN 48 14.940 -7.624 4.458 380 2HD2 ASN 48 2HD2 ASN 48 13.427 -8.438 4.167 381 H MET 49 H MET 49 16.020 -8.909 -1.215 382 HA MET 49 HA MET 49 15.542 -7.078 -3.141 383 1HB MET 49 1HB MET 49 14.749 -10.032 -3.125 384 2HB MET 49 2HB MET 49 14.847 -9.016 -4.593 385 1HG MET 49 1HG MET 49 17.217 -9.677 -2.747 386 2HG MET 49 2HG MET 49 16.790 -10.512 -4.251 387 1HE MET 49 1HE MET 49 19.257 -8.494 -2.832 388 2HE MET 49 2HE MET 49 18.047 -7.184 -2.594 389 3HE MET 49 3HE MET 49 19.434 -6.935 -3.700 390 H LYS 50 H LYS 50 13.036 -9.012 -1.494 391 HA LYS 50 HA LYS 50 10.929 -8.074 -3.083 392 1HB LYS 50 1HB LYS 50 11.019 -9.360 -0.323 393 2HB LYS 50 2HB LYS 50 9.499 -9.018 -1.216 394 1HG LYS 50 1HG LYS 50 10.277 -10.416 -3.120 395 2HG LYS 50 2HG LYS 50 11.770 -10.831 -2.223 396 1HD LYS 50 1HD LYS 50 10.381 -11.830 -0.391 397 2HD LYS 50 2HD LYS 50 8.896 -11.468 -1.307 398 1HE LYS 50 1HE LYS 50 11.171 -13.365 -2.229 399 2HE LYS 50 2HE LYS 50 9.592 -13.866 -1.505 400 1HZ LYS 50 1HZ LYS 50 10.061 -12.507 -4.099 401 2HZ LYS 50 2HZ LYS 50 8.542 -12.608 -3.384 402 3HZ LYS 50 3HZ LYS 50 9.378 -14.020 -3.845 403 H ASP 51 H ASP 51 12.183 -6.851 0.074 404 HA ASP 51 HA ASP 51 10.144 -4.895 0.211 405 1HB ASP 51 1HB ASP 51 12.800 -5.168 1.673 406 2HB ASP 51 2HB ASP 51 11.728 -3.727 1.853 407 H ARG 52 H ARG 52 13.485 -4.781 -1.150 408 HA ARG 52 HA ARG 52 13.361 -2.097 -1.757 409 1HB ARG 52 1HB ARG 52 14.705 -4.304 -3.353 410 2HB ARG 52 2HB ARG 52 14.952 -2.542 -3.617 411 1HG ARG 52 1HG ARG 52 15.664 -2.438 -1.107 412 2HG ARG 52 2HG ARG 52 15.795 -4.212 -1.199 413 1HD ARG 52 1HD ARG 52 17.423 -2.096 -2.707 414 2HD ARG 52 2HD ARG 52 18.007 -3.374 -1.569 415 HE ARG 52 HE ARG 52 16.647 -4.660 -3.779 416 1HH1 ARG 52 1HH1 ARG 52 19.619 -2.690 -3.336 417 2HH1 ARG 52 2HH1 ARG 52 20.248 -3.155 -4.870 418 1HH2 ARG 52 1HH2 ARG 52 17.570 -5.355 -5.623 419 2HH2 ARG 52 2HH2 ARG 52 19.195 -4.842 -6.097 420 H TYR 53 H TYR 53 12.071 -4.795 -3.779 421 HA TYR 53 HA TYR 53 11.347 -3.150 -5.882 422 1HB TYR 53 1HB TYR 53 10.004 -5.725 -4.884 423 2HB TYR 53 2HB TYR 53 9.701 -4.976 -6.493 424 HD1 TYR 53 HD1 TYR 53 12.385 -4.211 -7.399 425 HD2 TYR 53 HD2 TYR 53 10.999 -7.708 -5.412 426 HE1 TYR 53 HE1 TYR 53 14.251 -5.446 -8.292 427 HE2 TYR 53 HE2 TYR 53 12.893 -8.965 -6.314 428 HH TYR 53 HH TYR 53 15.391 -7.357 -8.289 429 H LYS 54 H LYS 54 9.345 -4.057 -3.048 430 HA LYS 54 HA LYS 54 7.169 -2.529 -4.063 431 1HB LYS 54 1HB LYS 54 5.998 -3.059 -2.020 432 2HB LYS 54 2HB LYS 54 6.773 -4.489 -2.752 433 1HG LYS 54 1HG LYS 54 8.761 -3.919 -1.082 434 2HG LYS 54 2HG LYS 54 7.493 -3.086 -0.145 435 1HD LYS 54 1HD LYS 54 7.429 -6.017 -1.143 436 2HD LYS 54 2HD LYS 54 7.990 -5.499 0.471 437 1HE LYS 54 1HE LYS 54 5.725 -4.623 1.039 438 2HE LYS 54 2HE LYS 54 5.095 -5.171 -0.573 439 1HZ LYS 54 1HZ LYS 54 6.411 -6.965 1.415 440 2HZ LYS 54 2HZ LYS 54 5.601 -7.435 0.028 441 3HZ LYS 54 3HZ LYS 54 4.750 -6.752 1.313 442 H TRP 55 H TRP 55 9.827 -1.797 -1.797 443 HA TRP 55 HA TRP 55 8.691 0.657 -1.057 444 1HB TRP 55 1HB TRP 55 10.433 -0.698 0.207 445 2HB TRP 55 2HB TRP 55 11.648 -0.046 -0.941 446 HD1 TRP 55 HD1 TRP 55 9.493 0.947 2.151 447 HE1 TRP 55 HE1 TRP 55 9.363 3.513 2.304 448 HE3 TRP 55 HE3 TRP 55 12.745 2.134 -1.563 449 HZ2 TRP 55 HZ2 TRP 55 10.963 5.669 1.425 450 HZ3 TRP 55 HZ3 TRP 55 13.510 4.449 -1.748 451 HH2 TRP 55 HH2 TRP 55 12.641 6.189 -0.298 452 H GLU 56 H GLU 56 10.908 -0.225 -3.772 453 HA GLU 56 HA GLU 56 11.264 2.457 -4.554 454 1HB GLU 56 1HB GLU 56 11.582 -0.190 -6.006 455 2HB GLU 56 2HB GLU 56 11.794 1.390 -6.827 456 1HG GLU 56 1HG GLU 56 13.563 2.037 -5.125 457 2HG GLU 56 2HG GLU 56 13.480 0.354 -4.475 458 H ALA 57 H ALA 57 8.742 0.002 -5.224 459 HA ALA 57 HA ALA 57 7.538 1.448 -7.275 460 1HB ALA 57 1HB ALA 57 5.579 -0.051 -6.837 461 2HB ALA 57 2HB ALA 57 6.326 -0.559 -5.277 462 3HB ALA 57 3HB ALA 57 7.119 -0.981 -6.837 463 H TRP 58 H TRP 58 7.613 1.879 -3.873 464 HA TRP 58 HA TRP 58 5.277 3.503 -3.729 465 1HB TRP 58 1HB TRP 58 5.869 1.961 -1.873 466 2HB TRP 58 2HB TRP 58 7.448 2.781 -1.652 467 HD1 TRP 58 HD1 TRP 58 4.625 5.151 -2.138 468 HE1 TRP 58 HE1 TRP 58 4.024 6.229 0.201 469 HE3 TRP 58 HE3 TRP 58 7.343 2.101 0.804 470 HZ2 TRP 58 HZ2 TRP 58 4.829 5.895 2.780 471 HZ3 TRP 58 HZ3 TRP 58 7.222 2.345 3.231 472 HH2 TRP 58 HH2 TRP 58 5.992 4.139 4.246 473 H GLU 59 H GLU 59 8.783 3.930 -3.210 474 HA GLU 59 HA GLU 59 9.058 6.601 -2.925 475 1HB GLU 59 1HB GLU 59 10.714 5.118 -2.293 476 2HB GLU 59 2HB GLU 59 10.659 4.236 -3.836 477 1HG GLU 59 1HG GLU 59 12.780 5.353 -3.583 478 2HG GLU 59 2HG GLU 59 11.895 5.970 -5.014 479 H ASN 60 H ASN 60 8.531 4.872 -5.984 480 HA ASN 60 HA ASN 60 9.228 7.015 -7.654 481 1HB ASN 60 1HB ASN 60 7.359 4.625 -7.873 482 2HB ASN 60 2HB ASN 60 7.165 5.949 -9.065 483 1HD2 ASN 60 1HD2 ASN 60 9.734 3.763 -7.714 484 2HD2 ASN 60 2HD2 ASN 60 10.749 3.916 -9.121 485 H LEU 61 H LEU 61 6.456 6.645 -5.555 486 HA LEU 61 HA LEU 61 5.507 9.260 -6.514 487 1HB LEU 61 1HB LEU 61 3.918 6.780 -5.801 488 2HB LEU 61 2HB LEU 61 3.226 8.377 -5.458 489 HG LEU 61 HG LEU 61 3.690 9.079 -7.846 490 1HD1 LEU 61 1HD1 LEU 61 4.119 6.043 -8.147 491 2HD1 LEU 61 2HD1 LEU 61 5.208 7.387 -8.695 492 3HD1 LEU 61 3HD1 LEU 61 3.630 7.120 -9.517 493 1HD2 LEU 61 1HD2 LEU 61 1.564 8.027 -8.612 494 2HD2 LEU 61 2HD2 LEU 61 1.455 8.520 -6.868 495 3HD2 LEU 61 3HD2 LEU 61 1.715 6.784 -7.314 496 H LYS 62 H LYS 62 7.534 8.789 -4.620 497 HA LYS 62 HA LYS 62 6.961 9.185 -2.088 498 1HB LYS 62 1HB LYS 62 9.129 10.465 -1.993 499 2HB LYS 62 2HB LYS 62 9.212 9.041 -3.054 500 1HG LYS 62 1HG LYS 62 8.707 10.672 -5.027 501 2HG LYS 62 2HG LYS 62 9.073 11.999 -3.882 502 1HD LYS 62 1HD LYS 62 10.858 9.586 -4.486 503 2HD LYS 62 2HD LYS 62 11.014 11.138 -5.364 504 1HE LYS 62 1HE LYS 62 11.797 12.308 -3.357 505 2HE LYS 62 2HE LYS 62 11.328 10.923 -2.294 506 1HZ LYS 62 1HZ LYS 62 13.529 10.969 -4.306 507 2HZ LYS 62 2HZ LYS 62 12.953 9.580 -3.562 508 3HZ LYS 62 3HZ LYS 62 13.628 10.800 -2.620 509 H GLY 63 H GLY 63 6.157 11.723 -4.338 510 1HA GLY 63 1HA GLY 63 5.903 13.593 -2.069 511 2HA GLY 63 2HA GLY 63 6.237 13.991 -3.780 512 H LYS 64 H LYS 64 4.290 12.487 -5.058 513 HA LYS 64 HA LYS 64 2.037 14.246 -4.390 514 1HB LYS 64 1HB LYS 64 1.294 13.984 -6.633 515 2HB LYS 64 2HB LYS 64 3.054 14.298 -6.689 516 1HG LYS 64 1HG LYS 64 3.472 11.841 -7.017 517 2HG LYS 64 2HG LYS 64 1.709 11.534 -6.908 518 1HD LYS 64 1HD LYS 64 1.292 12.997 -8.868 519 2HD LYS 64 2HD LYS 64 3.046 13.354 -9.004 520 1HE LYS 64 1HE LYS 64 3.536 10.974 -9.552 521 2HE LYS 64 2HE LYS 64 1.790 10.537 -9.317 522 1HZ LYS 64 1HZ LYS 64 2.458 10.942 -11.659 523 2HZ LYS 64 2HZ LYS 64 2.742 12.567 -11.289 524 3HZ LYS 64 3HZ LYS 64 1.197 11.928 -11.144 525 H SER 65 H SER 65 2.788 11.588 -3.133 526 HA SER 65 HA SER 65 1.355 9.522 -3.782 527 1HB SER 65 1HB SER 65 1.590 10.418 -0.816 528 2HB SER 65 2HB SER 65 1.978 8.796 -1.468 529 HG SER 65 HG SER 65 3.847 9.760 -2.372 530 H GLN 66 H GLN 66 0.049 12.011 -1.652 531 HA GLN 66 HA GLN 66 -2.365 10.523 -1.210 532 1HB GLN 66 1HB GLN 66 -1.156 13.114 -0.339 533 2HB GLN 66 2HB GLN 66 -2.944 13.043 -0.282 534 1HG GLN 66 1HG GLN 66 -2.945 10.972 1.033 535 2HG GLN 66 2HG GLN 66 -1.150 10.885 0.979 536 1HE2 GLN 66 1HE2 GLN 66 -1.626 10.738 3.367 537 2HE2 GLN 66 2HE2 GLN 66 -1.689 12.220 4.277 538 H GLU 67 H GLU 67 -1.354 12.373 -3.825 539 HA GLU 67 HA GLU 67 -4.056 13.258 -4.518 540 1HB GLU 67 1HB GLU 67 -1.422 13.422 -6.099 541 2HB GLU 67 2HB GLU 67 -2.990 14.132 -6.567 542 1HG GLU 67 1HG GLU 67 -1.310 14.933 -4.089 543 2HG GLU 67 2HG GLU 67 -1.420 15.835 -5.643 544 H ASP 68 H ASP 68 -1.442 10.999 -5.551 545 HA ASP 68 HA ASP 68 -3.273 10.083 -7.628 546 1HB ASP 68 1HB ASP 68 -0.309 10.294 -7.191 547 2HB ASP 68 2HB ASP 68 -0.813 8.757 -7.985 548 H ALA 69 H ALA 69 -1.982 8.817 -4.622 549 HA ALA 69 HA ALA 69 -2.469 6.165 -5.104 550 1HB ALA 69 1HB ALA 69 -2.820 7.764 -2.524 551 2HB ALA 69 2HB ALA 69 -1.355 6.885 -3.079 552 3HB ALA 69 3HB ALA 69 -2.813 5.949 -2.606 553 H GLU 70 H GLU 70 -4.687 8.409 -3.399 554 HA GLU 70 HA GLU 70 -6.893 6.854 -3.216 555 1HB GLU 70 1HB GLU 70 -8.265 8.712 -3.010 556 2HB GLU 70 2HB GLU 70 -6.753 8.823 -2.066 557 1HG GLU 70 1HG GLU 70 -5.791 10.487 -3.553 558 2HG GLU 70 2HG GLU 70 -7.023 10.138 -4.813 559 H LYS 71 H LYS 71 -5.958 8.342 -6.331 560 HA LYS 71 HA LYS 71 -8.576 7.862 -7.443 561 1HB LYS 71 1HB LYS 71 -6.021 8.639 -8.955 562 2HB LYS 71 2HB LYS 71 -7.713 8.944 -9.441 563 1HG LYS 71 1HG LYS 71 -6.170 10.266 -7.142 564 2HG LYS 71 2HG LYS 71 -6.396 10.939 -8.784 565 1HD LYS 71 1HD LYS 71 -8.831 11.167 -8.418 566 2HD LYS 71 2HD LYS 71 -8.702 10.322 -6.842 567 1HE LYS 71 1HE LYS 71 -8.878 12.753 -6.465 568 2HE LYS 71 2HE LYS 71 -7.264 12.148 -5.927 569 1HZ LYS 71 1HZ LYS 71 -6.330 12.969 -8.027 570 2HZ LYS 71 2HZ LYS 71 -7.049 14.169 -7.111 571 3HZ LYS 71 3HZ LYS 71 -7.845 13.559 -8.485 572 H GLU 72 H GLU 72 -5.344 6.361 -7.661 573 HA GLU 72 HA GLU 72 -6.383 4.478 -9.619 574 1HB GLU 72 1HB GLU 72 -3.776 4.899 -8.171 575 2HB GLU 72 2HB GLU 72 -4.049 3.430 -9.171 576 1HG GLU 72 1HG GLU 72 -4.345 6.308 -10.268 577 2HG GLU 72 2HG GLU 72 -2.770 5.472 -10.153 578 H TYR 73 H TYR 73 -5.913 4.692 -6.085 579 HA TYR 73 HA TYR 73 -5.852 2.000 -5.672 580 1HB TYR 73 1HB TYR 73 -5.233 3.874 -4.030 581 2HB TYR 73 2HB TYR 73 -6.979 4.025 -3.652 582 HD1 TYR 73 HD1 TYR 73 -4.263 1.474 -4.024 583 HD2 TYR 73 HD2 TYR 73 -7.687 2.740 -1.861 584 HE1 TYR 73 HE1 TYR 73 -3.752 -0.174 -2.282 585 HE2 TYR 73 HE2 TYR 73 -7.244 1.030 -0.164 586 HH TYR 73 HH TYR 73 -4.442 -1.174 -0.358 587 H ILE 74 H ILE 74 -8.778 4.145 -5.283 588 HA ILE 74 HA ILE 74 -10.689 2.456 -4.883 589 HB ILE 74 HB ILE 74 -10.969 4.749 -5.186 590 1HG1 ILE 74 1HG1 ILE 74 -12.651 3.358 -7.369 591 2HG1 ILE 74 2HG1 ILE 74 -12.937 3.151 -5.621 592 1HG2 ILE 74 1HG2 ILE 74 -9.345 5.141 -7.054 593 2HG2 ILE 74 2HG2 ILE 74 -10.922 5.950 -7.300 594 3HG2 ILE 74 3HG2 ILE 74 -10.554 4.468 -8.217 595 1HD1 ILE 74 1HD1 ILE 74 -13.285 5.667 -5.413 596 2HD1 ILE 74 2HD1 ILE 74 -14.480 4.858 -6.484 597 3HD1 ILE 74 3HD1 ILE 74 -13.125 5.809 -7.198 598 H ALA 75 H ALA 75 -9.478 2.812 -8.243 599 HA ALA 75 HA ALA 75 -11.265 0.801 -9.105 600 1HB ALA 75 1HB ALA 75 -10.050 1.086 -11.321 601 2HB ALA 75 2HB ALA 75 -8.765 2.017 -10.468 602 3HB ALA 75 3HB ALA 75 -10.434 2.680 -10.583 603 H LEU 76 H LEU 76 -7.909 0.617 -8.077 604 HA LEU 76 HA LEU 76 -7.462 -2.027 -8.930 605 1HB LEU 76 1HB LEU 76 -6.390 -0.485 -6.494 606 2HB LEU 76 2HB LEU 76 -5.756 -2.070 -7.039 607 HG LEU 76 HG LEU 76 -5.675 0.479 -8.738 608 1HD1 LEU 76 1HD1 LEU 76 -4.454 0.547 -6.474 609 2HD1 LEU 76 2HD1 LEU 76 -3.368 0.732 -7.910 610 3HD1 LEU 76 3HD1 LEU 76 -3.469 -0.845 -7.021 611 1HD2 LEU 76 1HD2 LEU 76 -4.167 -2.208 -8.982 612 2HD2 LEU 76 2HD2 LEU 76 -3.993 -0.786 -10.082 613 3HD2 LEU 76 3HD2 LEU 76 -5.540 -1.700 -10.028 614 H VAL 77 H VAL 77 -8.522 -0.663 -5.787 615 HA VAL 77 HA VAL 77 -8.624 -3.169 -4.512 616 HB VAL 77 HB VAL 77 -9.261 -0.353 -3.744 617 1HG1 VAL 77 1HG1 VAL 77 -9.752 -2.957 -2.148 618 2HG1 VAL 77 2HG1 VAL 77 -10.925 -1.623 -2.457 619 3HG1 VAL 77 3HG1 VAL 77 -9.500 -1.351 -1.382 620 1HG2 VAL 77 1HG2 VAL 77 -6.861 -1.077 -3.903 621 2HG2 VAL 77 2HG2 VAL 77 -7.258 -2.606 -3.013 622 3HG2 VAL 77 3HG2 VAL 77 -7.337 -1.041 -2.157 623 H ASP 78 H ASP 78 -11.098 -1.271 -6.325 624 HA ASP 78 HA ASP 78 -13.189 -2.736 -5.259 625 1HB ASP 78 1HB ASP 78 -13.140 -0.610 -6.753 626 2HB ASP 78 2HB ASP 78 -13.031 -1.759 -8.154 627 H GLN 79 H GLN 79 -10.867 -3.495 -7.812 628 HA GLN 79 HA GLN 79 -12.204 -5.901 -8.615 629 1HB GLN 79 1HB GLN 79 -9.387 -4.849 -9.123 630 2HB GLN 79 2HB GLN 79 -10.065 -6.319 -9.876 631 1HG GLN 79 1HG GLN 79 -11.748 -5.064 -11.112 632 2HG GLN 79 2HG GLN 79 -11.359 -3.541 -10.240 633 1HE2 GLN 79 1HE2 GLN 79 -9.127 -2.696 -10.446 634 2HE2 GLN 79 2HE2 GLN 79 -8.225 -2.986 -11.906 635 H LEU 80 H LEU 80 -9.842 -5.032 -6.140 636 HA LEU 80 HA LEU 80 -9.049 -7.724 -5.556 637 1HB LEU 80 1HB LEU 80 -8.857 -5.097 -4.036 638 2HB LEU 80 2HB LEU 80 -8.626 -6.659 -3.226 639 HG LEU 80 HG LEU 80 -6.891 -7.279 -4.973 640 1HD1 LEU 80 1HD1 LEU 80 -6.812 -4.241 -5.451 641 2HD1 LEU 80 2HD1 LEU 80 -7.299 -5.491 -6.662 642 3HD1 LEU 80 3HD1 LEU 80 -5.611 -5.453 -6.030 643 1HD2 LEU 80 1HD2 LEU 80 -6.458 -6.706 -2.569 644 2HD2 LEU 80 2HD2 LEU 80 -6.299 -4.966 -3.019 645 3HD2 LEU 80 3HD2 LEU 80 -5.121 -6.182 -3.653 646 H ILE 81 H ILE 81 -11.349 -5.401 -4.001 647 HA ILE 81 HA ILE 81 -12.192 -7.177 -2.100 648 HB ILE 81 HB ILE 81 -13.204 -4.729 -3.402 649 1HG1 ILE 81 1HG1 ILE 81 -11.233 -4.843 -1.755 650 2HG1 ILE 81 2HG1 ILE 81 -12.461 -3.565 -1.530 651 1HG2 ILE 81 1HG2 ILE 81 -14.981 -4.449 -1.584 652 2HG2 ILE 81 2HG2 ILE 81 -14.762 -6.185 -1.162 653 3HG2 ILE 81 3HG2 ILE 81 -15.366 -5.700 -2.792 654 1HD1 ILE 81 1HD1 ILE 81 -13.485 -4.782 0.372 655 2HD1 ILE 81 2HD1 ILE 81 -11.719 -4.645 0.647 656 3HD1 ILE 81 3HD1 ILE 81 -12.425 -6.204 0.082 657 H ALA 82 H ALA 82 -13.654 -6.496 -5.302 658 HA ALA 82 HA ALA 82 -15.910 -8.033 -4.992 659 1HB ALA 82 1HB ALA 82 -14.199 -7.571 -7.510 660 2HB ALA 82 2HB ALA 82 -15.445 -6.444 -6.859 661 3HB ALA 82 3HB ALA 82 -15.945 -8.046 -7.487 662 H LYS 83 H LYS 83 -12.590 -9.176 -5.613 663 HA LYS 83 HA LYS 83 -13.482 -11.869 -6.111 664 1HB LYS 83 1HB LYS 83 -11.692 -10.649 -7.422 665 2HB LYS 83 2HB LYS 83 -10.703 -10.555 -5.938 666 1HG LYS 83 1HG LYS 83 -10.523 -13.051 -5.934 667 2HG LYS 83 2HG LYS 83 -11.627 -13.129 -7.353 668 1HD LYS 83 1HD LYS 83 -10.066 -11.660 -8.651 669 2HD LYS 83 2HD LYS 83 -8.922 -11.630 -7.267 670 1HE LYS 83 1HE LYS 83 -8.626 -14.114 -7.463 671 2HE LYS 83 2HE LYS 83 -9.836 -14.129 -8.821 672 1HZ LYS 83 1HZ LYS 83 -7.152 -12.792 -8.832 673 2HZ LYS 83 2HZ LYS 83 -8.299 -12.596 -10.028 674 3HZ LYS 83 3HZ LYS 83 -7.651 -14.136 -9.715 675 H TYR 84 H TYR 84 -12.067 -9.748 -3.603 676 HA TYR 84 HA TYR 84 -11.202 -12.092 -2.187 677 1HB TYR 84 1HB TYR 84 -10.435 -9.136 -1.986 678 2HB TYR 84 2HB TYR 84 -9.737 -10.433 -0.971 679 HD1 TYR 84 HD1 TYR 84 -9.815 -12.369 -3.690 680 HD2 TYR 84 HD2 TYR 84 -8.101 -8.674 -2.469 681 HE1 TYR 84 HE1 TYR 84 -7.928 -12.774 -5.137 682 HE2 TYR 84 HE2 TYR 84 -6.254 -9.024 -4.012 683 HH TYR 84 HH TYR 84 -5.432 -10.353 -5.679 684 H SER 85 H SER 85 -13.606 -9.625 -1.624 685 HA SER 85 HA SER 85 -13.835 -9.485 0.973 686 1HB SER 85 1HB SER 85 -15.394 -8.540 -0.748 687 2HB SER 85 2HB SER 85 -16.184 -10.139 -0.862 688 HG SER 85 HG SER 85 -17.270 -8.767 0.536 689 H SER 86 H SER 86 -15.258 -12.321 -0.735 690 HA SER 86 HA SER 86 -14.298 -14.036 1.239 691 1HB SER 86 1HB SER 86 -16.518 -14.982 2.012 692 2HB SER 86 2HB SER 86 -16.178 -13.334 2.634 693 HG SER 86 HG SER 86 -17.639 -13.876 0.299 Start of MODEL 8 1 1H VAL 1 1H VAL 1 -11.541 9.848 -2.885 2 2H VAL 1 2H VAL 1 -10.140 9.090 -2.381 3 3H VAL 1 3H VAL 1 -10.074 10.692 -2.900 4 HA VAL 1 HA VAL 1 -10.282 11.429 -0.940 5 HB VAL 1 HB VAL 1 -12.840 9.863 -0.503 6 1HG1 VAL 1 1HG1 VAL 1 -12.008 11.130 1.488 7 2HG1 VAL 1 2HG1 VAL 1 -13.444 11.921 0.772 8 3HG1 VAL 1 3HG1 VAL 1 -11.820 12.612 0.468 9 1HG2 VAL 1 1HG2 VAL 1 -12.426 12.475 -2.098 10 2HG2 VAL 1 2HG2 VAL 1 -13.994 11.826 -1.528 11 3HG2 VAL 1 3HG2 VAL 1 -13.070 10.912 -2.750 12 H SER 2 H SER 2 -9.495 11.041 1.193 13 HA SER 2 HA SER 2 -8.081 8.646 1.281 14 1HB SER 2 1HB SER 2 -8.248 10.953 3.253 15 2HB SER 2 2HB SER 2 -7.024 9.635 3.309 16 HG SER 2 HG SER 2 -6.616 11.745 2.160 17 H GLN 3 H GLN 3 -11.194 9.233 2.376 18 HA GLN 3 HA GLN 3 -11.049 7.992 4.928 19 1HB GLN 3 1HB GLN 3 -13.361 8.592 3.019 20 2HB GLN 3 2HB GLN 3 -13.605 7.944 4.657 21 1HG GLN 3 1HG GLN 3 -12.103 10.611 4.192 22 2HG GLN 3 2HG GLN 3 -13.888 10.496 4.202 23 1HE2 GLN 3 1HE2 GLN 3 -10.986 9.804 6.280 24 2HE2 GLN 3 2HE2 GLN 3 -11.874 9.961 7.767 25 H LEU 4 H LEU 4 -12.476 6.948 1.810 26 HA LEU 4 HA LEU 4 -12.945 4.299 2.528 27 1HB LEU 4 1HB LEU 4 -12.714 3.969 -0.075 28 2HB LEU 4 2HB LEU 4 -14.133 4.893 0.584 29 HG LEU 4 HG LEU 4 -11.555 6.236 -0.156 30 1HD1 LEU 4 1HD1 LEU 4 -13.732 5.488 -2.224 31 2HD1 LEU 4 2HD1 LEU 4 -12.082 4.775 -2.103 32 3HD1 LEU 4 3HD1 LEU 4 -12.288 6.515 -2.560 33 1HD2 LEU 4 1HD2 LEU 4 -13.335 7.826 0.716 34 2HD2 LEU 4 2HD2 LEU 4 -14.580 7.016 -0.303 35 3HD2 LEU 4 3HD2 LEU 4 -13.325 8.016 -1.084 36 H PHE 5 H PHE 5 -10.160 5.994 1.164 37 HA PHE 5 HA PHE 5 -8.614 3.988 0.264 38 1HB PHE 5 1HB PHE 5 -8.201 6.427 0.037 39 2HB PHE 5 2HB PHE 5 -8.018 6.568 1.830 40 HD1 PHE 5 HD1 PHE 5 -6.089 5.925 2.942 41 HD2 PHE 5 HD2 PHE 5 -6.434 5.345 -1.248 42 HE1 PHE 5 HE1 PHE 5 -3.712 5.309 2.854 43 HE2 PHE 5 HE2 PHE 5 -4.032 4.760 -1.369 44 HZ PHE 5 HZ PHE 5 -2.674 4.864 0.673 45 H GLU 6 H GLU 6 -8.749 5.187 3.653 46 HA GLU 6 HA GLU 6 -6.988 3.042 4.467 47 1HB GLU 6 1HB GLU 6 -8.410 5.163 6.124 48 2HB GLU 6 2HB GLU 6 -7.426 3.828 6.807 49 1HG GLU 6 1HG GLU 6 -5.488 4.591 5.292 50 2HG GLU 6 2HG GLU 6 -6.457 6.087 4.984 51 H GLU 7 H GLU 7 -10.431 3.601 4.310 52 HA GLU 7 HA GLU 7 -11.200 1.587 6.102 53 1HB GLU 7 1HB GLU 7 -13.002 2.873 5.801 54 2HB GLU 7 2HB GLU 7 -12.317 3.547 4.324 55 1HG GLU 7 1HG GLU 7 -14.357 2.805 3.648 56 2HG GLU 7 2HG GLU 7 -13.221 1.635 2.964 57 H LYS 8 H LYS 8 -10.689 1.505 2.572 58 HA LYS 8 HA LYS 8 -11.141 -1.334 2.533 59 1HB LYS 8 1HB LYS 8 -11.017 0.868 0.588 60 2HB LYS 8 2HB LYS 8 -10.093 -0.538 0.039 61 1HG LYS 8 1HG LYS 8 -12.311 -0.798 -0.808 62 2HG LYS 8 2HG LYS 8 -12.104 -2.009 0.493 63 1HD LYS 8 1HD LYS 8 -13.296 -0.386 2.073 64 2HD LYS 8 2HD LYS 8 -13.571 0.693 0.665 65 1HE LYS 8 1HE LYS 8 -14.894 -1.229 -0.427 66 2HE LYS 8 2HE LYS 8 -14.668 -2.173 1.100 67 1HZ LYS 8 1HZ LYS 8 -15.704 -0.190 2.249 68 2HZ LYS 8 2HZ LYS 8 -16.725 -1.094 1.244 69 3HZ LYS 8 3HZ LYS 8 -16.146 0.371 0.701 70 H ALA 9 H ALA 9 -8.246 0.766 2.754 71 HA ALA 9 HA ALA 9 -6.497 -1.143 1.801 72 1HB ALA 9 1HB ALA 9 -5.830 1.249 2.137 73 2HB ALA 9 2HB ALA 9 -4.774 0.127 3.049 74 3HB ALA 9 3HB ALA 9 -6.057 1.076 3.917 75 H LYS 10 H LYS 10 -7.405 -0.325 5.106 76 HA LYS 10 HA LYS 10 -5.921 -2.306 6.419 77 1HB LYS 10 1HB LYS 10 -8.352 -0.577 6.891 78 2HB LYS 10 2HB LYS 10 -7.777 -1.724 8.192 79 1HG LYS 10 1HG LYS 10 -5.521 -0.537 8.100 80 2HG LYS 10 2HG LYS 10 -6.227 0.637 6.945 81 1HD LYS 10 1HD LYS 10 -8.020 1.167 8.676 82 2HD LYS 10 2HD LYS 10 -7.154 0.099 9.828 83 1HE LYS 10 1HE LYS 10 -5.094 1.594 9.588 84 2HE LYS 10 2HE LYS 10 -6.070 2.700 8.537 85 1HZ LYS 10 1HZ LYS 10 -6.493 2.025 11.403 86 2HZ LYS 10 2HZ LYS 10 -7.681 2.776 10.469 87 3HZ LYS 10 3HZ LYS 10 -6.215 3.550 10.693 88 H ALA 11 H ALA 11 -8.869 -2.541 4.570 89 HA ALA 11 HA ALA 11 -9.582 -5.111 5.641 90 1HB ALA 11 1HB ALA 11 -10.428 -3.811 2.985 91 2HB ALA 11 2HB ALA 11 -11.351 -3.730 4.534 92 3HB ALA 11 3HB ALA 11 -11.088 -5.308 3.703 93 H VAL 12 H VAL 12 -8.027 -3.974 2.489 94 HA VAL 12 HA VAL 12 -7.740 -6.595 1.716 95 HB VAL 12 HB VAL 12 -6.414 -5.789 -0.152 96 1HG1 VAL 12 1HG1 VAL 12 -8.204 -4.607 -1.193 97 2HG1 VAL 12 2HG1 VAL 12 -8.939 -4.133 0.391 98 3HG1 VAL 12 3HG1 VAL 12 -8.913 -5.867 -0.118 99 1HG2 VAL 12 1HG2 VAL 12 -6.037 -3.352 -0.474 100 2HG2 VAL 12 2HG2 VAL 12 -5.167 -3.873 0.999 101 3HG2 VAL 12 3HG2 VAL 12 -6.730 -3.000 1.131 102 H ASN 13 H ASN 13 -5.556 -4.561 3.570 103 HA ASN 13 HA ASN 13 -3.377 -6.347 3.116 104 1HB ASN 13 1HB ASN 13 -3.855 -4.293 5.359 105 2HB ASN 13 2HB ASN 13 -2.293 -5.148 5.089 106 1HD2 ASN 13 1HD2 ASN 13 -3.094 -2.229 4.955 107 2HD2 ASN 13 2HD2 ASN 13 -2.567 -1.691 3.381 108 H GLU 14 H GLU 14 -6.192 -6.783 4.878 109 HA GLU 14 HA GLU 14 -5.009 -9.066 6.191 110 1HB GLU 14 1HB GLU 14 -4.848 -7.012 7.671 111 2HB GLU 14 2HB GLU 14 -6.623 -7.023 7.801 112 1HG GLU 14 1HG GLU 14 -6.619 -9.015 9.108 113 2HG GLU 14 2HG GLU 14 -5.090 -9.615 8.382 114 H LEU 15 H LEU 15 -6.782 -8.752 3.902 115 HA LEU 15 HA LEU 15 -9.270 -9.783 4.688 116 1HB LEU 15 1HB LEU 15 -7.626 -9.352 2.221 117 2HB LEU 15 2HB LEU 15 -8.880 -10.598 2.044 118 HG LEU 15 HG LEU 15 -9.349 -7.706 2.914 119 1HD1 LEU 15 1HD1 LEU 15 -8.695 -8.157 0.431 120 2HD1 LEU 15 2HD1 LEU 15 -10.267 -7.308 0.719 121 3HD1 LEU 15 3HD1 LEU 15 -10.259 -9.049 0.307 122 1HD2 LEU 15 1HD2 LEU 15 -11.772 -8.135 2.575 123 2HD2 LEU 15 2HD2 LEU 15 -11.136 -9.161 3.906 124 3HD2 LEU 15 3HD2 LEU 15 -11.446 -9.872 2.270 125 HA PRO 16 HA PRO 16 -8.006 -13.938 5.265 126 1HB PRO 16 1HB PRO 16 -9.945 -15.560 4.169 127 2HB PRO 16 2HB PRO 16 -10.263 -14.509 5.608 128 1HG PRO 16 1HG PRO 16 -10.978 -13.958 2.679 129 2HG PRO 16 2HG PRO 16 -12.002 -13.703 4.153 130 1HD PRO 16 1HD PRO 16 -10.447 -11.720 2.878 131 2HD PRO 16 2HD PRO 16 -10.883 -11.638 4.649 132 H THR 17 H THR 17 -8.824 -13.002 1.994 133 HA THR 17 HA THR 17 -6.845 -14.852 0.866 134 HB THR 17 HB THR 17 -9.062 -13.212 -0.411 135 HG1 THR 17 HG1 THR 17 -9.975 -15.207 -0.724 136 1HG2 THR 17 1HG2 THR 17 -7.062 -13.720 -1.956 137 2HG2 THR 17 2HG2 THR 17 -8.578 -14.539 -2.446 138 3HG2 THR 17 3HG2 THR 17 -7.284 -15.479 -1.598 139 H LYS 18 H LYS 18 -5.379 -13.437 2.047 140 HA LYS 18 HA LYS 18 -5.079 -10.790 1.606 141 1HB LYS 18 1HB LYS 18 -2.945 -12.892 2.259 142 2HB LYS 18 2HB LYS 18 -2.704 -11.129 2.465 143 1HG LYS 18 1HG LYS 18 -4.807 -11.091 3.913 144 2HG LYS 18 2HG LYS 18 -4.761 -12.880 3.919 145 1HD LYS 18 1HD LYS 18 -2.411 -12.731 4.899 146 2HD LYS 18 2HD LYS 18 -2.624 -10.949 4.997 147 1HE LYS 18 1HE LYS 18 -4.740 -11.375 6.428 148 2HE LYS 18 2HE LYS 18 -4.304 -13.126 6.428 149 1HZ LYS 18 1HZ LYS 18 -3.451 -12.186 8.360 150 2HZ LYS 18 2HZ LYS 18 -2.757 -10.852 7.571 151 3HZ LYS 18 3HZ LYS 18 -2.104 -12.399 7.356 152 HA PRO 19 HA PRO 19 -3.972 -9.914 -2.128 153 1HB PRO 19 1HB PRO 19 -1.521 -8.292 -1.360 154 2HB PRO 19 2HB PRO 19 -2.931 -7.795 -2.385 155 1HG PRO 19 1HG PRO 19 -2.813 -6.994 0.245 156 2HG PRO 19 2HG PRO 19 -4.374 -7.683 -0.375 157 1HD PRO 19 1HD PRO 19 -2.142 -9.177 1.127 158 2HD PRO 19 2HD PRO 19 -3.921 -9.116 1.494 159 H SER 20 H SER 20 -2.973 -10.644 -4.068 160 HA SER 20 HA SER 20 -0.655 -12.296 -3.770 161 1HB SER 20 1HB SER 20 -2.268 -11.552 -6.247 162 2HB SER 20 2HB SER 20 -0.943 -12.772 -6.197 163 HG SER 20 HG SER 20 -3.345 -13.318 -5.811 164 H THR 21 H THR 21 1.229 -12.147 -5.056 165 HA THR 21 HA THR 21 2.549 -9.993 -4.225 166 HB THR 21 HB THR 21 3.447 -11.895 -6.403 167 HG1 THR 21 HG1 THR 21 2.884 -12.983 -4.607 168 1HG2 THR 21 1HG2 THR 21 5.017 -9.965 -6.243 169 2HG2 THR 21 2HG2 THR 21 5.732 -11.378 -5.417 170 3HG2 THR 21 3HG2 THR 21 4.999 -10.046 -4.446 171 H ASP 22 H ASP 22 1.812 -10.456 -7.741 172 HA ASP 22 HA ASP 22 3.176 -8.080 -8.401 173 1HB ASP 22 1HB ASP 22 1.024 -9.635 -9.963 174 2HB ASP 22 2HB ASP 22 2.174 -8.435 -10.662 175 H GLU 23 H GLU 23 0.148 -8.513 -6.977 176 HA GLU 23 HA GLU 23 -0.926 -5.991 -7.959 177 1HB GLU 23 1HB GLU 23 -2.087 -7.763 -5.762 178 2HB GLU 23 2HB GLU 23 -2.910 -6.515 -6.737 179 1HG GLU 23 1HG GLU 23 -1.877 -9.271 -7.685 180 2HG GLU 23 2HG GLU 23 -3.580 -8.814 -7.380 181 H LEU 24 H LEU 24 0.048 -7.574 -4.875 182 HA LEU 24 HA LEU 24 -0.185 -5.695 -3.102 183 1HB LEU 24 1HB LEU 24 0.628 -8.177 -3.207 184 2HB LEU 24 2HB LEU 24 2.275 -7.510 -3.239 185 HG LEU 24 HG LEU 24 0.134 -6.933 -1.078 186 1HD1 LEU 24 1HD1 LEU 24 2.425 -8.997 -1.054 187 2HD1 LEU 24 2HD1 LEU 24 0.705 -9.365 -1.424 188 3HD1 LEU 24 3HD1 LEU 24 1.164 -8.759 0.224 189 1HD2 LEU 24 1HD2 LEU 24 1.890 -5.226 -0.944 190 2HD2 LEU 24 2HD2 LEU 24 3.181 -6.481 -1.145 191 3HD2 LEU 24 3HD2 LEU 24 2.171 -6.436 0.364 192 H LEU 25 H LEU 25 2.738 -5.956 -5.169 193 HA LEU 25 HA LEU 25 4.287 -4.018 -4.052 194 1HB LEU 25 1HB LEU 25 3.763 -4.727 -6.993 195 2HB LEU 25 2HB LEU 25 5.152 -3.726 -6.446 196 HG LEU 25 HG LEU 25 4.624 -6.673 -5.732 197 1HD1 LEU 25 1HD1 LEU 25 6.573 -7.098 -7.220 198 2HD1 LEU 25 2HD1 LEU 25 6.698 -5.328 -7.574 199 3HD1 LEU 25 3HD1 LEU 25 5.243 -6.250 -8.104 200 1HD2 LEU 25 1HD2 LEU 25 6.925 -4.778 -4.945 201 2HD2 LEU 25 2HD2 LEU 25 6.980 -6.582 -4.785 202 3HD2 LEU 25 3HD2 LEU 25 5.777 -5.630 -3.843 203 H GLU 26 H GLU 26 1.998 -3.441 -6.733 204 HA GLU 26 HA GLU 26 2.383 -0.631 -6.595 205 1HB GLU 26 1HB GLU 26 1.805 -1.869 -8.651 206 2HB GLU 26 2HB GLU 26 0.192 -2.253 -7.983 207 1HG GLU 26 1HG GLU 26 -0.420 0.156 -7.979 208 2HG GLU 26 2HG GLU 26 1.265 0.632 -8.383 209 H LEU 27 H LEU 27 -0.028 -2.845 -5.224 210 HA LEU 27 HA LEU 27 -1.756 -0.839 -4.319 211 1HB LEU 27 1HB LEU 27 -1.273 -3.761 -3.724 212 2HB LEU 27 2HB LEU 27 -2.294 -2.840 -2.581 213 HG LEU 27 HG LEU 27 -3.606 -4.044 -4.244 214 1HD1 LEU 27 1HD1 LEU 27 -5.179 -2.225 -4.747 215 2HD1 LEU 27 2HD1 LEU 27 -3.902 -0.985 -4.484 216 3HD1 LEU 27 3HD1 LEU 27 -4.468 -2.006 -3.104 217 1HD2 LEU 27 1HD2 LEU 27 -2.376 -2.176 -6.371 218 2HD2 LEU 27 2HD2 LEU 27 -3.860 -3.177 -6.590 219 3HD2 LEU 27 3HD2 LEU 27 -2.283 -3.973 -6.299 220 H TYR 28 H TYR 28 1.010 -2.385 -2.701 221 HA TYR 28 HA TYR 28 0.966 -0.985 -0.328 222 1HB TYR 28 1HB TYR 28 2.461 -2.845 -0.604 223 2HB TYR 28 2HB TYR 28 3.181 -2.130 -2.078 224 HD1 TYR 28 HD1 TYR 28 4.684 -0.258 -1.956 225 HD2 TYR 28 HD2 TYR 28 3.319 -2.206 1.568 226 HE1 TYR 28 HE1 TYR 28 6.468 0.796 -0.704 227 HE2 TYR 28 HE2 TYR 28 5.233 -1.308 2.796 228 HH TYR 28 HH TYR 28 7.110 -0.042 2.693 229 H ALA 29 H ALA 29 2.464 -0.006 -3.469 230 HA ALA 29 HA ALA 29 3.597 2.289 -2.550 231 1HB ALA 29 1HB ALA 29 3.662 2.962 -4.946 232 2HB ALA 29 2HB ALA 29 2.374 1.766 -5.328 233 3HB ALA 29 3HB ALA 29 3.990 1.201 -4.777 234 H LEU 30 H LEU 30 0.299 1.968 -3.906 235 HA LEU 30 HA LEU 30 -0.405 4.650 -3.404 236 1HB LEU 30 1HB LEU 30 -1.995 2.084 -3.842 237 2HB LEU 30 2HB LEU 30 -2.809 3.605 -3.360 238 HG LEU 30 HG LEU 30 -1.514 4.709 -5.382 239 1HD1 LEU 30 1HD1 LEU 30 -1.754 1.724 -6.173 240 2HD1 LEU 30 2HD1 LEU 30 -0.196 2.648 -6.107 241 3HD1 LEU 30 3HD1 LEU 30 -1.455 3.064 -7.341 242 1HD2 LEU 30 1HD2 LEU 30 -3.538 4.385 -6.664 243 2HD2 LEU 30 2HD2 LEU 30 -3.946 4.446 -4.887 244 3HD2 LEU 30 3HD2 LEU 30 -3.929 2.861 -5.745 245 H TYR 31 H TYR 31 -1.045 1.694 -1.473 246 HA TYR 31 HA TYR 31 -2.557 2.738 0.504 247 1HB TYR 31 1HB TYR 31 -2.330 0.398 0.355 248 2HB TYR 31 2HB TYR 31 -0.554 0.486 0.605 249 HD1 TYR 31 HD1 TYR 31 0.038 -0.225 2.616 250 HD2 TYR 31 HD2 TYR 31 -3.471 2.150 2.390 251 HE1 TYR 31 HE1 TYR 31 -0.134 -0.229 5.068 252 HE2 TYR 31 HE2 TYR 31 -3.746 2.030 4.775 253 HH TYR 31 HH TYR 31 -2.607 1.703 6.696 254 H LYS 32 H LYS 32 1.015 2.341 0.463 255 HA LYS 32 HA LYS 32 1.430 3.883 2.781 256 1HB LYS 32 1HB LYS 32 3.400 3.027 0.614 257 2HB LYS 32 2HB LYS 32 3.831 3.661 2.221 258 1HG LYS 32 1HG LYS 32 2.416 1.013 1.639 259 2HG LYS 32 2HG LYS 32 4.097 1.312 2.155 260 1HD LYS 32 1HD LYS 32 1.559 1.735 3.828 261 2HD LYS 32 2HD LYS 32 2.819 0.472 4.002 262 1HE LYS 32 1HE LYS 32 4.513 2.383 4.472 263 2HE LYS 32 2HE LYS 32 3.082 3.495 4.546 264 1HZ LYS 32 1HZ LYS 32 3.718 1.203 6.352 265 2HZ LYS 32 2HZ LYS 32 2.190 1.894 6.294 266 3HZ LYS 32 3HZ LYS 32 3.487 2.837 6.715 267 H GLN 33 H GLN 33 1.036 4.936 -0.639 268 HA GLN 33 HA GLN 33 2.177 7.418 -0.112 269 1HB GLN 33 1HB GLN 33 0.420 6.319 -2.249 270 2HB GLN 33 2HB GLN 33 0.246 8.067 -2.011 271 1HG GLN 33 1HG GLN 33 2.889 6.635 -2.507 272 2HG GLN 33 2HG GLN 33 1.856 7.550 -3.702 273 1HE2 GLN 33 1HE2 GLN 33 4.431 7.800 -1.348 274 2HE2 GLN 33 2HE2 GLN 33 4.519 9.547 -1.355 275 H ALA 34 H ALA 34 -1.288 6.511 0.150 276 HA ALA 34 HA ALA 34 -1.615 9.201 1.340 277 1HB ALA 34 1HB ALA 34 -4.007 9.034 1.128 278 2HB ALA 34 2HB ALA 34 -3.843 7.448 0.297 279 3HB ALA 34 3HB ALA 34 -3.143 8.926 -0.438 280 H THR 35 H THR 35 -1.017 6.041 2.522 281 HA THR 35 HA THR 35 -2.042 6.666 5.049 282 HB THR 35 HB THR 35 0.251 4.886 4.295 283 HG1 THR 35 HG1 THR 35 -1.646 4.043 3.746 284 1HG2 THR 35 1HG2 THR 35 0.606 5.678 6.630 285 2HG2 THR 35 2HG2 THR 35 -0.140 4.036 6.665 286 3HG2 THR 35 3HG2 THR 35 -1.169 5.490 6.979 287 H VAL 36 H VAL 36 1.373 7.003 3.690 288 HA VAL 36 HA VAL 36 2.087 8.608 5.922 289 HB VAL 36 HB VAL 36 3.659 7.910 3.426 290 1HG1 VAL 36 1HG1 VAL 36 5.599 8.373 4.820 291 2HG1 VAL 36 2HG1 VAL 36 4.583 8.600 6.295 292 3HG1 VAL 36 3HG1 VAL 36 4.554 9.805 4.951 293 1HG2 VAL 36 1HG2 VAL 36 4.592 6.038 4.772 294 2HG2 VAL 36 2HG2 VAL 36 2.881 5.787 4.380 295 3HG2 VAL 36 3HG2 VAL 36 3.349 6.323 6.048 296 H GLY 37 H GLY 37 2.091 9.114 2.371 297 1HA GLY 37 1HA GLY 37 1.632 10.930 1.260 298 2HA GLY 37 2HA GLY 37 1.837 11.979 2.710 299 H ASP 38 H ASP 38 4.427 10.062 2.778 300 HA ASP 38 HA ASP 38 6.031 11.324 0.691 301 1HB ASP 38 1HB ASP 38 6.760 10.864 3.670 302 2HB ASP 38 2HB ASP 38 7.976 11.208 2.390 303 H ASN 39 H ASN 39 7.553 9.563 -0.169 304 HA ASN 39 HA ASN 39 7.330 7.026 0.930 305 1HB ASN 39 1HB ASN 39 9.427 6.391 -0.011 306 2HB ASN 39 2HB ASN 39 8.376 7.238 -1.157 307 1HD2 ASN 39 1HD2 ASN 39 9.959 9.560 0.934 308 2HD2 ASN 39 2HD2 ASN 39 11.194 9.979 -0.229 309 H ASP 40 H ASP 40 7.741 6.134 2.828 310 HA ASP 40 HA ASP 40 8.828 7.909 4.794 311 1HB ASP 40 1HB ASP 40 6.592 6.655 4.831 312 2HB ASP 40 2HB ASP 40 7.504 5.167 5.179 313 H LYS 41 H LYS 41 9.148 4.338 4.790 314 HA LYS 41 HA LYS 41 11.493 4.570 6.305 315 1HB LYS 41 1HB LYS 41 10.041 2.181 5.100 316 2HB LYS 41 2HB LYS 41 11.359 2.083 6.314 317 1HG LYS 41 1HG LYS 41 9.990 3.590 7.850 318 2HG LYS 41 2HG LYS 41 8.622 3.437 6.700 319 1HD LYS 41 1HD LYS 41 9.960 1.081 8.186 320 2HD LYS 41 2HD LYS 41 8.480 1.953 8.691 321 1HE LYS 41 1HE LYS 41 7.534 1.381 6.317 322 2HE LYS 41 2HE LYS 41 8.879 0.187 6.194 323 1HZ LYS 41 1HZ LYS 41 8.054 -0.826 8.295 324 2HZ LYS 41 2HZ LYS 41 6.907 -0.870 7.094 325 3HZ LYS 41 3HZ LYS 41 6.796 0.283 8.338 326 H GLU 42 H GLU 42 13.014 5.569 4.983 327 HA GLU 42 HA GLU 42 13.799 4.506 2.488 328 1HB GLU 42 1HB GLU 42 13.666 6.883 3.309 329 2HB GLU 42 2HB GLU 42 15.096 6.570 4.326 330 1HG GLU 42 1HG GLU 42 16.388 6.035 2.122 331 2HG GLU 42 2HG GLU 42 14.915 6.524 1.225 332 H LYS 43 H LYS 43 13.893 2.497 4.078 333 HA LYS 43 HA LYS 43 16.436 1.450 3.507 334 1HB LYS 43 1HB LYS 43 16.970 2.369 5.751 335 2HB LYS 43 2HB LYS 43 15.647 1.404 6.466 336 1HG LYS 43 1HG LYS 43 16.832 -0.703 5.699 337 2HG LYS 43 2HG LYS 43 18.087 0.322 4.931 338 1HD LYS 43 1HD LYS 43 18.695 1.253 7.181 339 2HD LYS 43 2HD LYS 43 17.411 0.272 7.940 340 1HE LYS 43 1HE LYS 43 19.688 -0.740 8.244 341 2HE LYS 43 2HE LYS 43 18.579 -1.841 7.329 342 1HZ LYS 43 1HZ LYS 43 20.867 -1.577 6.403 343 2HZ LYS 43 2HZ LYS 43 20.457 0.024 5.985 344 3HZ LYS 43 3HZ LYS 43 19.615 -1.276 5.321 345 HA PRO 44 HA PRO 44 13.283 -1.799 3.490 346 1HB PRO 44 1HB PRO 44 13.641 -2.665 0.917 347 2HB PRO 44 2HB PRO 44 12.562 -1.269 1.321 348 1HG PRO 44 1HG PRO 44 15.480 -1.120 0.364 349 2HG PRO 44 2HG PRO 44 14.036 -0.240 -0.307 350 1HD PRO 44 1HD PRO 44 15.756 0.863 1.583 351 2HD PRO 44 2HD PRO 44 13.976 1.247 1.578 352 H GLY 45 H GLY 45 14.112 -4.217 3.388 353 1HA GLY 45 1HA GLY 45 16.572 -3.992 4.707 354 2HA GLY 45 2HA GLY 45 15.584 -5.436 4.431 355 H ILE 46 H ILE 46 17.513 -6.630 4.314 356 HA ILE 46 HA ILE 46 19.468 -5.720 2.347 357 HB ILE 46 HB ILE 46 21.111 -6.970 3.531 358 1HG1 ILE 46 1HG1 ILE 46 18.882 -7.600 5.564 359 2HG1 ILE 46 2HG1 ILE 46 19.764 -8.783 4.539 360 1HG2 ILE 46 1HG2 ILE 46 19.462 -5.111 5.351 361 2HG2 ILE 46 2HG2 ILE 46 20.475 -4.538 3.972 362 3HG2 ILE 46 3HG2 ILE 46 21.240 -5.367 5.371 363 1HD1 ILE 46 1HD1 ILE 46 21.025 -7.068 6.764 364 2HD1 ILE 46 2HD1 ILE 46 21.921 -8.165 5.648 365 3HD1 ILE 46 3HD1 ILE 46 20.699 -8.835 6.787 366 H PHE 47 H PHE 47 18.014 -8.819 3.424 367 HA PHE 47 HA PHE 47 18.463 -9.918 0.772 368 1HB PHE 47 1HB PHE 47 17.323 -11.972 2.027 369 2HB PHE 47 2HB PHE 47 19.045 -11.552 2.262 370 HD1 PHE 47 HD1 PHE 47 15.735 -10.552 3.773 371 HD2 PHE 47 HD2 PHE 47 19.815 -11.585 4.353 372 HE1 PHE 47 HE1 PHE 47 15.488 -10.165 6.162 373 HE2 PHE 47 HE2 PHE 47 19.566 -11.235 6.758 374 HZ PHE 47 HZ PHE 47 17.417 -10.453 7.666 375 H ASN 48 H ASN 48 16.341 -7.915 2.221 376 HA ASN 48 HA ASN 48 13.905 -9.133 1.703 377 1HB ASN 48 1HB ASN 48 14.550 -6.240 2.337 378 2HB ASN 48 2HB ASN 48 12.901 -6.969 2.308 379 1HD2 ASN 48 1HD2 ASN 48 12.152 -7.931 4.117 380 2HD2 ASN 48 2HD2 ASN 48 13.119 -8.578 5.410 381 H MET 49 H MET 49 14.420 -9.613 -0.693 382 HA MET 49 HA MET 49 14.470 -7.725 -2.651 383 1HB MET 49 1HB MET 49 13.179 -10.501 -2.708 384 2HB MET 49 2HB MET 49 13.578 -9.528 -4.159 385 1HG MET 49 1HG MET 49 15.598 -10.632 -2.118 386 2HG MET 49 2HG MET 49 15.234 -11.279 -3.732 387 1HE MET 49 1HE MET 49 17.807 -9.796 -1.878 388 2HE MET 49 2HE MET 49 16.792 -8.335 -1.635 389 3HE MET 49 3HE MET 49 18.321 -8.227 -2.576 390 H LYS 50 H LYS 50 11.520 -9.188 -1.259 391 HA LYS 50 HA LYS 50 9.763 -7.805 -2.937 392 1HB LYS 50 1HB LYS 50 9.410 -9.067 -0.191 393 2HB LYS 50 2HB LYS 50 8.058 -8.322 -1.099 394 1HG LYS 50 1HG LYS 50 8.299 -9.870 -2.939 395 2HG LYS 50 2HG LYS 50 9.782 -10.598 -2.240 396 1HD LYS 50 1HD LYS 50 8.575 -11.558 -0.381 397 2HD LYS 50 2HD LYS 50 7.148 -10.530 -0.684 398 1HE LYS 50 1HE LYS 50 6.692 -12.862 -1.322 399 2HE LYS 50 2HE LYS 50 6.575 -11.757 -2.745 400 1HZ LYS 50 1HZ LYS 50 8.580 -12.573 -3.599 401 2HZ LYS 50 2HZ LYS 50 7.792 -13.946 -3.009 402 3HZ LYS 50 3HZ LYS 50 9.055 -13.293 -2.144 403 H ASP 51 H ASP 51 10.964 -6.873 0.330 404 HA ASP 51 HA ASP 51 9.538 -4.477 0.375 405 1HB ASP 51 1HB ASP 51 12.171 -5.171 1.763 406 2HB ASP 51 2HB ASP 51 11.225 -3.662 2.042 407 H ARG 52 H ARG 52 12.801 -5.137 -0.934 408 HA ARG 52 HA ARG 52 13.305 -2.503 -1.640 409 1HB ARG 52 1HB ARG 52 14.343 -5.101 -2.835 410 2HB ARG 52 2HB ARG 52 15.009 -3.475 -3.201 411 1HG ARG 52 1HG ARG 52 15.567 -3.120 -0.808 412 2HG ARG 52 2HG ARG 52 14.867 -4.686 -0.373 413 1HD ARG 52 1HD ARG 52 17.171 -5.200 -0.437 414 2HD ARG 52 2HD ARG 52 16.598 -5.754 -2.050 415 HE ARG 52 HE ARG 52 17.677 -3.870 -3.063 416 1HH1 ARG 52 1HH1 ARG 52 17.837 -3.460 0.516 417 2HH1 ARG 52 2HH1 ARG 52 18.858 -2.078 0.369 418 1HH2 ARG 52 1HH2 ARG 52 19.086 -2.061 -3.117 419 2HH2 ARG 52 2HH2 ARG 52 19.227 -1.098 -1.676 420 H TYR 53 H TYR 53 11.636 -5.049 -3.563 421 HA TYR 53 HA TYR 53 11.234 -3.418 -5.788 422 1HB TYR 53 1HB TYR 53 9.418 -5.609 -4.638 423 2HB TYR 53 2HB TYR 53 9.260 -4.911 -6.287 424 HD1 TYR 53 HD1 TYR 53 12.198 -4.876 -7.103 425 HD2 TYR 53 HD2 TYR 53 9.718 -7.758 -5.193 426 HE1 TYR 53 HE1 TYR 53 13.560 -6.665 -8.034 427 HE2 TYR 53 HE2 TYR 53 11.099 -9.553 -6.107 428 HH TYR 53 HH TYR 53 13.576 -8.991 -8.476 429 H LYS 54 H LYS 54 9.047 -3.929 -2.964 430 HA LYS 54 HA LYS 54 7.135 -2.219 -4.090 431 1HB LYS 54 1HB LYS 54 5.789 -2.593 -2.196 432 2HB LYS 54 2HB LYS 54 6.625 -4.104 -2.640 433 1HG LYS 54 1HG LYS 54 8.405 -3.284 -0.846 434 2HG LYS 54 2HG LYS 54 7.024 -2.395 -0.159 435 1HD LYS 54 1HD LYS 54 7.110 -5.421 -0.804 436 2HD LYS 54 2HD LYS 54 7.468 -4.704 0.798 437 1HE LYS 54 1HE LYS 54 5.143 -3.867 1.001 438 2HE LYS 54 2HE LYS 54 4.717 -4.603 -0.607 439 1HZ LYS 54 1HZ LYS 54 5.829 -6.115 1.720 440 2HZ LYS 54 2HZ LYS 54 5.206 -6.759 0.290 441 3HZ LYS 54 3HZ LYS 54 4.197 -5.975 1.398 442 H TRP 55 H TRP 55 9.838 -1.495 -1.882 443 HA TRP 55 HA TRP 55 8.873 1.103 -1.411 444 1HB TRP 55 1HB TRP 55 10.580 -0.321 -0.064 445 2HB TRP 55 2HB TRP 55 11.801 0.363 -1.182 446 HD1 TRP 55 HD1 TRP 55 9.548 1.271 1.870 447 HE1 TRP 55 HE1 TRP 55 9.472 3.778 2.145 448 HE3 TRP 55 HE3 TRP 55 12.783 2.592 -1.829 449 HZ2 TRP 55 HZ2 TRP 55 11.272 5.946 1.490 450 HZ3 TRP 55 HZ3 TRP 55 13.562 4.904 -1.933 451 HH2 TRP 55 HH2 TRP 55 12.859 6.543 -0.277 452 H GLU 56 H GLU 56 10.842 -0.277 -4.067 453 HA GLU 56 HA GLU 56 11.431 2.261 -5.166 454 1HB GLU 56 1HB GLU 56 11.470 -0.574 -6.261 455 2HB GLU 56 2HB GLU 56 11.683 0.852 -7.319 456 1HG GLU 56 1HG GLU 56 13.593 1.643 -5.877 457 2HG GLU 56 2HG GLU 56 13.522 0.083 -4.984 458 H ALA 57 H ALA 57 8.675 0.022 -5.415 459 HA ALA 57 HA ALA 57 7.444 1.395 -7.532 460 1HB ALA 57 1HB ALA 57 5.439 0.046 -6.888 461 2HB ALA 57 2HB ALA 57 6.221 -0.376 -5.322 462 3HB ALA 57 3HB ALA 57 6.911 -0.979 -6.870 463 H TRP 58 H TRP 58 7.573 1.921 -4.102 464 HA TRP 58 HA TRP 58 5.503 3.849 -4.066 465 1HB TRP 58 1HB TRP 58 6.106 2.372 -2.112 466 2HB TRP 58 2HB TRP 58 7.689 3.208 -1.975 467 HD1 TRP 58 HD1 TRP 58 4.493 5.293 -2.482 468 HE1 TRP 58 HE1 TRP 58 3.803 6.226 -0.144 469 HE3 TRP 58 HE3 TRP 58 7.637 2.674 0.408 470 HZ2 TRP 58 HZ2 TRP 58 4.757 6.173 2.428 471 HZ3 TRP 58 HZ3 TRP 58 7.452 2.877 2.847 472 HH2 TRP 58 HH2 TRP 58 6.041 4.525 3.850 473 H GLU 59 H GLU 59 9.062 3.935 -4.147 474 HA GLU 59 HA GLU 59 9.343 6.679 -4.058 475 1HB GLU 59 1HB GLU 59 11.007 4.940 -3.575 476 2HB GLU 59 2HB GLU 59 11.184 4.596 -5.310 477 1HG GLU 59 1HG GLU 59 11.722 7.338 -3.961 478 2HG GLU 59 2HG GLU 59 12.954 6.061 -4.156 479 H ASN 60 H ASN 60 8.169 4.729 -6.721 480 HA ASN 60 HA ASN 60 8.625 6.802 -8.652 481 1HB ASN 60 1HB ASN 60 6.691 4.431 -8.521 482 2HB ASN 60 2HB ASN 60 6.716 5.595 -9.896 483 1HD2 ASN 60 1HD2 ASN 60 7.064 3.108 -10.548 484 2HD2 ASN 60 2HD2 ASN 60 8.733 2.742 -10.940 485 H LEU 61 H LEU 61 6.409 6.549 -5.990 486 HA LEU 61 HA LEU 61 4.629 8.517 -7.255 487 1HB LEU 61 1HB LEU 61 4.248 6.800 -4.750 488 2HB LEU 61 2HB LEU 61 3.004 7.809 -5.527 489 HG LEU 61 HG LEU 61 4.289 5.251 -6.642 490 1HD1 LEU 61 1HD1 LEU 61 2.667 5.068 -4.769 491 2HD1 LEU 61 2HD1 LEU 61 1.960 4.403 -6.305 492 3HD1 LEU 61 3HD1 LEU 61 1.472 6.056 -5.694 493 1HD2 LEU 61 1HD2 LEU 61 2.623 5.423 -8.498 494 2HD2 LEU 61 2HD2 LEU 61 3.826 6.760 -8.592 495 3HD2 LEU 61 3HD2 LEU 61 2.159 7.074 -7.965 496 H LYS 62 H LYS 62 7.109 8.275 -5.058 497 HA LYS 62 HA LYS 62 6.591 8.695 -2.761 498 1HB LYS 62 1HB LYS 62 8.816 10.074 -2.465 499 2HB LYS 62 2HB LYS 62 8.730 8.408 -3.070 500 1HG LYS 62 1HG LYS 62 10.296 9.414 -4.402 501 2HG LYS 62 2HG LYS 62 8.817 9.227 -5.423 502 1HD LYS 62 1HD LYS 62 8.371 11.459 -5.564 503 2HD LYS 62 2HD LYS 62 9.403 11.920 -4.165 504 1HE LYS 62 1HE LYS 62 10.401 12.463 -6.493 505 2HE LYS 62 2HE LYS 62 11.455 11.512 -5.374 506 1HZ LYS 62 1HZ LYS 62 11.491 10.584 -7.584 507 2HZ LYS 62 2HZ LYS 62 9.825 10.361 -7.594 508 3HZ LYS 62 3HZ LYS 62 10.804 9.490 -6.535 509 H GLY 63 H GLY 63 6.080 11.761 -4.527 510 1HA GLY 63 1HA GLY 63 4.982 12.655 -1.981 511 2HA GLY 63 2HA GLY 63 6.247 13.659 -2.786 512 H LYS 64 H LYS 64 4.197 11.836 -4.909 513 HA LYS 64 HA LYS 64 2.775 14.371 -5.499 514 1HB LYS 64 1HB LYS 64 4.390 13.264 -7.295 515 2HB LYS 64 2HB LYS 64 3.021 12.134 -7.537 516 1HG LYS 64 1HG LYS 64 1.590 14.383 -7.614 517 2HG LYS 64 2HG LYS 64 3.176 15.124 -7.988 518 1HD LYS 64 1HD LYS 64 1.760 12.833 -9.515 519 2HD LYS 64 2HD LYS 64 1.774 14.552 -9.999 520 1HE LYS 64 1HE LYS 64 4.299 14.424 -10.292 521 2HE LYS 64 2HE LYS 64 4.213 12.657 -9.919 522 1HZ LYS 64 1HZ LYS 64 2.641 12.467 -11.834 523 2HZ LYS 64 2HZ LYS 64 4.197 12.959 -12.234 524 3HZ LYS 64 3HZ LYS 64 2.937 14.082 -12.210 525 H SER 65 H SER 65 2.556 10.834 -5.823 526 HA SER 65 HA SER 65 -0.230 11.121 -6.367 527 1HB SER 65 1HB SER 65 1.744 8.830 -6.559 528 2HB SER 65 2HB SER 65 0.015 8.601 -6.949 529 HG SER 65 HG SER 65 0.213 10.236 -8.490 530 H GLN 66 H GLN 66 0.255 11.687 -3.571 531 HA GLN 66 HA GLN 66 -1.261 9.676 -2.217 532 1HB GLN 66 1HB GLN 66 -0.001 11.031 -0.763 533 2HB GLN 66 2HB GLN 66 -0.221 12.493 -1.769 534 1HG GLN 66 1HG GLN 66 -2.498 12.779 -1.136 535 2HG GLN 66 2HG GLN 66 -2.551 11.229 -0.208 536 1HE2 GLN 66 1HE2 GLN 66 -0.627 11.227 1.607 537 2HE2 GLN 66 2HE2 GLN 66 -0.672 12.685 2.572 538 H GLU 67 H GLU 67 -1.598 12.542 -4.180 539 HA GLU 67 HA GLU 67 -4.342 13.034 -3.880 540 1HB GLU 67 1HB GLU 67 -2.112 13.877 -5.816 541 2HB GLU 67 2HB GLU 67 -3.796 14.456 -5.994 542 1HG GLU 67 1HG GLU 67 -3.691 15.245 -3.544 543 2HG GLU 67 2HG GLU 67 -1.921 14.945 -3.593 544 H ASP 68 H ASP 68 -2.418 10.982 -5.928 545 HA ASP 68 HA ASP 68 -4.782 10.064 -7.349 546 1HB ASP 68 1HB ASP 68 -1.866 9.031 -7.367 547 2HB ASP 68 2HB ASP 68 -3.161 8.492 -8.500 548 H ALA 69 H ALA 69 -2.399 8.631 -4.982 549 HA ALA 69 HA ALA 69 -3.358 6.314 -4.666 550 1HB ALA 69 1HB ALA 69 -2.646 8.157 -2.362 551 2HB ALA 69 2HB ALA 69 -1.544 7.093 -3.324 552 3HB ALA 69 3HB ALA 69 -2.775 6.363 -2.251 553 H GLU 70 H GLU 70 -4.813 8.951 -2.631 554 HA GLU 70 HA GLU 70 -6.890 7.627 -1.561 555 1HB GLU 70 1HB GLU 70 -7.902 9.768 -1.231 556 2HB GLU 70 2HB GLU 70 -6.151 9.841 -0.965 557 1HG GLU 70 1HG GLU 70 -5.785 11.349 -2.650 558 2HG GLU 70 2HG GLU 70 -6.820 10.439 -3.789 559 H LYS 71 H LYS 71 -6.887 8.498 -5.017 560 HA LYS 71 HA LYS 71 -9.718 7.873 -5.225 561 1HB LYS 71 1HB LYS 71 -7.651 9.030 -7.173 562 2HB LYS 71 2HB LYS 71 -9.340 8.645 -7.631 563 1HG LYS 71 1HG LYS 71 -10.242 10.429 -6.352 564 2HG LYS 71 2HG LYS 71 -8.801 10.514 -5.283 565 1HD LYS 71 1HD LYS 71 -7.395 11.255 -7.178 566 2HD LYS 71 2HD LYS 71 -8.827 11.275 -8.254 567 1HE LYS 71 1HE LYS 71 -8.439 13.576 -7.576 568 2HE LYS 71 2HE LYS 71 -9.912 13.017 -6.694 569 1HZ LYS 71 1HZ LYS 71 -8.561 12.674 -4.735 570 2HZ LYS 71 2HZ LYS 71 -8.340 14.234 -5.336 571 3HZ LYS 71 3HZ LYS 71 -7.141 13.056 -5.585 572 H GLU 72 H GLU 72 -6.617 7.026 -6.771 573 HA GLU 72 HA GLU 72 -7.874 5.017 -8.275 574 1HB GLU 72 1HB GLU 72 -4.912 5.620 -7.823 575 2HB GLU 72 2HB GLU 72 -5.569 4.447 -9.008 576 1HG GLU 72 1HG GLU 72 -6.931 6.362 -10.022 577 2HG GLU 72 2HG GLU 72 -5.989 7.500 -8.994 578 H TYR 73 H TYR 73 -6.620 4.994 -5.018 579 HA TYR 73 HA TYR 73 -5.870 2.333 -4.960 580 1HB TYR 73 1HB TYR 73 -5.406 4.026 -3.142 581 2HB TYR 73 2HB TYR 73 -7.140 3.941 -2.657 582 HD1 TYR 73 HD1 TYR 73 -4.176 1.788 -3.396 583 HD2 TYR 73 HD2 TYR 73 -7.678 2.346 -1.040 584 HE1 TYR 73 HE1 TYR 73 -3.461 -0.039 -1.923 585 HE2 TYR 73 HE2 TYR 73 -7.019 0.486 0.366 586 HH TYR 73 HH TYR 73 -3.917 -1.279 -0.104 587 H ILE 74 H ILE 74 -9.138 3.749 -4.012 588 HA ILE 74 HA ILE 74 -10.173 1.236 -3.672 589 HB ILE 74 HB ILE 74 -11.100 3.338 -2.977 590 1HG1 ILE 74 1HG1 ILE 74 -12.966 1.246 -4.278 591 2HG1 ILE 74 2HG1 ILE 74 -12.113 1.039 -2.725 592 1HG2 ILE 74 1HG2 ILE 74 -12.830 4.441 -4.414 593 2HG2 ILE 74 2HG2 ILE 74 -12.474 3.313 -5.757 594 3HG2 ILE 74 3HG2 ILE 74 -11.217 4.491 -5.203 595 1HD1 ILE 74 1HD1 ILE 74 -13.450 2.897 -1.718 596 2HD1 ILE 74 2HD1 ILE 74 -14.514 1.623 -2.412 597 3HD1 ILE 74 3HD1 ILE 74 -14.280 3.166 -3.300 598 H ALA 75 H ALA 75 -9.772 2.893 -6.772 599 HA ALA 75 HA ALA 75 -11.383 1.039 -8.161 600 1HB ALA 75 1HB ALA 75 -8.999 2.731 -9.159 601 2HB ALA 75 2HB ALA 75 -10.708 3.290 -9.079 602 3HB ALA 75 3HB ALA 75 -10.250 1.968 -10.208 603 H LEU 76 H LEU 76 -7.949 0.914 -7.319 604 HA LEU 76 HA LEU 76 -7.442 -1.500 -8.733 605 1HB LEU 76 1HB LEU 76 -6.181 -0.337 -6.179 606 2HB LEU 76 2HB LEU 76 -5.510 -1.724 -7.092 607 HG LEU 76 HG LEU 76 -5.768 1.129 -8.192 608 1HD1 LEU 76 1HD1 LEU 76 -3.414 1.344 -7.584 609 2HD1 LEU 76 2HD1 LEU 76 -3.317 -0.394 -7.090 610 3HD1 LEU 76 3HD1 LEU 76 -4.315 0.741 -6.121 611 1HD2 LEU 76 1HD2 LEU 76 -4.336 -1.394 -9.248 612 2HD2 LEU 76 2HD2 LEU 76 -4.101 0.276 -9.899 613 3HD2 LEU 76 3HD2 LEU 76 -5.710 -0.526 -10.034 614 H VAL 77 H VAL 77 -8.430 -0.690 -5.413 615 HA VAL 77 HA VAL 77 -8.178 -3.281 -4.358 616 HB VAL 77 HB VAL 77 -9.243 -0.662 -3.390 617 1HG1 VAL 77 1HG1 VAL 77 -9.343 -1.990 -1.121 618 2HG1 VAL 77 2HG1 VAL 77 -9.546 -3.456 -2.134 619 3HG1 VAL 77 3HG1 VAL 77 -10.761 -2.133 -2.240 620 1HG2 VAL 77 1HG2 VAL 77 -7.266 -1.131 -1.827 621 2HG2 VAL 77 2HG2 VAL 77 -6.776 -1.024 -3.557 622 3HG2 VAL 77 3HG2 VAL 77 -6.946 -2.634 -2.756 623 H ASP 78 H ASP 78 -10.876 -1.621 -6.050 624 HA ASP 78 HA ASP 78 -12.746 -3.485 -5.295 625 1HB ASP 78 1HB ASP 78 -13.031 -1.270 -6.563 626 2HB ASP 78 2HB ASP 78 -12.532 -2.167 -8.059 627 H GLN 79 H GLN 79 -10.244 -3.633 -7.782 628 HA GLN 79 HA GLN 79 -11.119 -6.145 -8.831 629 1HB GLN 79 1HB GLN 79 -8.563 -4.525 -9.128 630 2HB GLN 79 2HB GLN 79 -8.820 -6.069 -9.975 631 1HG GLN 79 1HG GLN 79 -10.783 -3.711 -10.306 632 2HG GLN 79 2HG GLN 79 -9.255 -3.840 -11.238 633 1HE2 GLN 79 1HE2 GLN 79 -9.935 -4.382 -13.311 634 2HE2 GLN 79 2HE2 GLN 79 -10.887 -5.805 -13.650 635 H LEU 80 H LEU 80 -9.264 -5.219 -6.077 636 HA LEU 80 HA LEU 80 -8.024 -7.808 -5.644 637 1HB LEU 80 1HB LEU 80 -8.277 -5.247 -4.047 638 2HB LEU 80 2HB LEU 80 -7.914 -6.785 -3.246 639 HG LEU 80 HG LEU 80 -6.008 -7.147 -4.884 640 1HD1 LEU 80 1HD1 LEU 80 -4.931 -5.201 -5.915 641 2HD1 LEU 80 2HD1 LEU 80 -6.300 -4.136 -5.416 642 3HD1 LEU 80 3HD1 LEU 80 -6.564 -5.461 -6.621 643 1HD2 LEU 80 1HD2 LEU 80 -5.815 -4.753 -2.944 644 2HD2 LEU 80 2HD2 LEU 80 -4.466 -5.828 -3.481 645 3HD2 LEU 80 3HD2 LEU 80 -5.788 -6.489 -2.457 646 H ILE 81 H ILE 81 -10.673 -5.936 -4.143 647 HA ILE 81 HA ILE 81 -11.653 -7.864 -2.483 648 HB ILE 81 HB ILE 81 -12.528 -5.413 -3.854 649 1HG1 ILE 81 1HG1 ILE 81 -10.971 -5.382 -1.869 650 2HG1 ILE 81 2HG1 ILE 81 -12.416 -4.348 -1.732 651 1HG2 ILE 81 1HG2 ILE 81 -14.661 -5.261 -2.501 652 2HG2 ILE 81 2HG2 ILE 81 -14.477 -6.990 -2.051 653 3HG2 ILE 81 3HG2 ILE 81 -14.717 -6.511 -3.776 654 1HD1 ILE 81 1HD1 ILE 81 -12.200 -7.139 -0.420 655 2HD1 ILE 81 2HD1 ILE 81 -13.516 -5.932 -0.194 656 3HD1 ILE 81 3HD1 ILE 81 -11.865 -5.574 0.407 657 H ALA 82 H ALA 82 -12.506 -7.225 -5.857 658 HA ALA 82 HA ALA 82 -14.605 -8.910 -6.199 659 1HB ALA 82 1HB ALA 82 -12.234 -8.404 -8.092 660 2HB ALA 82 2HB ALA 82 -13.721 -7.402 -7.962 661 3HB ALA 82 3HB ALA 82 -13.832 -9.079 -8.589 662 H LYS 83 H LYS 83 -11.195 -9.898 -5.869 663 HA LYS 83 HA LYS 83 -12.010 -12.693 -6.009 664 1HB LYS 83 1HB LYS 83 -9.335 -11.247 -5.849 665 2HB LYS 83 2HB LYS 83 -9.493 -13.001 -5.494 666 1HG LYS 83 1HG LYS 83 -10.382 -13.489 -7.650 667 2HG LYS 83 2HG LYS 83 -10.404 -11.765 -8.152 668 1HD LYS 83 1HD LYS 83 -8.080 -11.679 -8.452 669 2HD LYS 83 2HD LYS 83 -7.770 -12.856 -7.148 670 1HE LYS 83 1HE LYS 83 -7.135 -13.810 -9.344 671 2HE LYS 83 2HE LYS 83 -8.451 -14.753 -8.536 672 1HZ LYS 83 1HZ LYS 83 -8.772 -14.346 -10.947 673 2HZ LYS 83 2HZ LYS 83 -8.877 -12.702 -10.649 674 3HZ LYS 83 3HZ LYS 83 -10.046 -13.755 -10.008 675 H TYR 84 H TYR 84 -10.695 -10.226 -3.771 676 HA TYR 84 HA TYR 84 -10.063 -12.305 -1.971 677 1HB TYR 84 1HB TYR 84 -9.582 -9.279 -1.899 678 2HB TYR 84 2HB TYR 84 -8.826 -10.460 -0.788 679 HD1 TYR 84 HD1 TYR 84 -7.358 -8.552 -2.295 680 HD2 TYR 84 HD2 TYR 84 -8.470 -12.510 -3.360 681 HE1 TYR 84 HE1 TYR 84 -5.375 -8.735 -3.731 682 HE2 TYR 84 HE2 TYR 84 -6.539 -12.676 -4.809 683 HH TYR 84 HH TYR 84 -4.818 -11.597 -5.735 684 H SER 85 H SER 85 -12.735 -10.191 -2.064 685 HA SER 85 HA SER 85 -13.303 -9.666 0.522 686 1HB SER 85 1HB SER 85 -14.623 -9.013 -1.529 687 2HB SER 85 2HB SER 85 -15.308 -10.660 -1.583 688 HG SER 85 HG SER 85 -16.735 -9.591 -0.465 689 H SER 86 H SER 86 -14.246 -12.684 -1.182 690 HA SER 86 HA SER 86 -13.637 -14.222 1.070 691 1HB SER 86 1HB SER 86 -15.914 -15.271 1.387 692 2HB SER 86 2HB SER 86 -15.941 -13.536 1.856 693 HG SER 86 HG SER 86 -16.467 -14.340 -0.752 Start of MODEL 9 1 1H VAL 1 1H VAL 1 -11.598 12.225 -2.965 2 2H VAL 1 2H VAL 1 -11.550 10.561 -2.978 3 3H VAL 1 3H VAL 1 -10.137 11.446 -3.259 4 HA VAL 1 HA VAL 1 -9.814 12.093 -1.177 5 HB VAL 1 HB VAL 1 -11.414 12.067 0.634 6 1HG1 VAL 1 1HG1 VAL 1 -12.305 13.689 -1.824 7 2HG1 VAL 1 2HG1 VAL 1 -10.912 14.070 -0.741 8 3HG1 VAL 1 3HG1 VAL 1 -12.583 14.050 -0.091 9 1HG2 VAL 1 1HG2 VAL 1 -12.986 10.289 -0.094 10 2HG2 VAL 1 2HG2 VAL 1 -13.452 11.252 -1.556 11 3HG2 VAL 1 3HG2 VAL 1 -13.846 11.848 0.090 12 H SER 2 H SER 2 -9.198 11.083 0.769 13 HA SER 2 HA SER 2 -8.496 8.408 0.456 14 1HB SER 2 1HB SER 2 -7.105 10.383 1.223 15 2HB SER 2 2HB SER 2 -8.015 10.349 2.763 16 HG SER 2 HG SER 2 -7.050 8.451 3.243 17 H GLN 3 H GLN 3 -11.378 9.544 1.694 18 HA GLN 3 HA GLN 3 -11.532 8.071 4.074 19 1HB GLN 3 1HB GLN 3 -13.778 8.934 2.182 20 2HB GLN 3 2HB GLN 3 -14.041 7.985 3.661 21 1HG GLN 3 1HG GLN 3 -14.450 10.002 4.553 22 2HG GLN 3 2HG GLN 3 -12.704 9.879 4.923 23 1HE2 GLN 3 1HE2 GLN 3 -15.101 11.897 3.667 24 2HE2 GLN 3 2HE2 GLN 3 -14.112 12.943 2.692 25 H LEU 4 H LEU 4 -12.539 7.233 0.780 26 HA LEU 4 HA LEU 4 -13.418 4.622 1.249 27 1HB LEU 4 1HB LEU 4 -12.790 4.458 -1.325 28 2HB LEU 4 2HB LEU 4 -14.208 5.461 -0.788 29 HG LEU 4 HG LEU 4 -11.468 6.646 -0.965 30 1HD1 LEU 4 1HD1 LEU 4 -11.698 7.305 -3.340 31 2HD1 LEU 4 2HD1 LEU 4 -13.164 6.269 -3.490 32 3HD1 LEU 4 3HD1 LEU 4 -11.545 5.531 -3.105 33 1HD2 LEU 4 1HD2 LEU 4 -13.589 8.067 -0.204 34 2HD2 LEU 4 2HD2 LEU 4 -14.318 7.676 -1.793 35 3HD2 LEU 4 3HD2 LEU 4 -12.856 8.707 -1.727 36 H PHE 5 H PHE 5 -10.305 6.071 0.350 37 HA PHE 5 HA PHE 5 -8.859 3.892 -0.336 38 1HB PHE 5 1HB PHE 5 -8.138 6.246 -0.579 39 2HB PHE 5 2HB PHE 5 -8.216 6.473 1.209 40 HD1 PHE 5 HD1 PHE 5 -6.538 5.768 2.645 41 HD2 PHE 5 HD2 PHE 5 -6.293 4.989 -1.521 42 HE1 PHE 5 HE1 PHE 5 -4.181 5.132 2.921 43 HE2 PHE 5 HE2 PHE 5 -3.935 4.342 -1.269 44 HZ PHE 5 HZ PHE 5 -2.875 4.487 0.955 45 H GLU 6 H GLU 6 -9.297 5.252 2.970 46 HA GLU 6 HA GLU 6 -7.945 2.957 4.083 47 1HB GLU 6 1HB GLU 6 -9.299 5.338 5.383 48 2HB GLU 6 2HB GLU 6 -8.825 3.886 6.314 49 1HG GLU 6 1HG GLU 6 -6.447 4.111 5.341 50 2HG GLU 6 2HG GLU 6 -6.918 5.746 4.781 51 H GLU 7 H GLU 7 -11.277 3.868 3.511 52 HA GLU 7 HA GLU 7 -12.490 2.043 5.218 53 1HB GLU 7 1HB GLU 7 -14.105 3.475 4.604 54 2HB GLU 7 2HB GLU 7 -13.161 3.970 3.193 55 1HG GLU 7 1HG GLU 7 -15.103 3.430 2.249 56 2HG GLU 7 2HG GLU 7 -14.082 2.047 1.837 57 H LYS 8 H LYS 8 -11.478 1.628 1.799 58 HA LYS 8 HA LYS 8 -12.037 -1.205 2.099 59 1HB LYS 8 1HB LYS 8 -10.902 0.319 -0.282 60 2HB LYS 8 2HB LYS 8 -11.403 -1.406 -0.219 61 1HG LYS 8 1HG LYS 8 -13.276 1.009 0.004 62 2HG LYS 8 2HG LYS 8 -13.110 -0.161 -1.340 63 1HD LYS 8 1HD LYS 8 -13.646 -1.999 0.430 64 2HD LYS 8 2HD LYS 8 -14.181 -0.664 1.487 65 1HE LYS 8 1HE LYS 8 -15.339 -1.238 -1.349 66 2HE LYS 8 2HE LYS 8 -16.018 -1.905 0.189 67 1HZ LYS 8 1HZ LYS 8 -15.877 0.953 -0.628 68 2HZ LYS 8 2HZ LYS 8 -16.147 0.440 0.967 69 3HZ LYS 8 3HZ LYS 8 -17.227 0.008 -0.229 70 H ALA 9 H ALA 9 -9.024 0.838 2.158 71 HA ALA 9 HA ALA 9 -7.357 -1.240 1.588 72 1HB ALA 9 1HB ALA 9 -6.570 1.166 1.756 73 2HB ALA 9 2HB ALA 9 -5.610 0.064 2.773 74 3HB ALA 9 3HB ALA 9 -6.871 1.130 3.525 75 H LYS 10 H LYS 10 -8.643 -0.163 4.687 76 HA LYS 10 HA LYS 10 -7.139 -1.921 6.314 77 1HB LYS 10 1HB LYS 10 -9.645 -0.244 6.515 78 2HB LYS 10 2HB LYS 10 -9.046 -1.204 7.937 79 1HG LYS 10 1HG LYS 10 -7.520 1.063 6.484 80 2HG LYS 10 2HG LYS 10 -8.453 1.208 7.998 81 1HD LYS 10 1HD LYS 10 -6.948 -0.643 8.962 82 2HD LYS 10 2HD LYS 10 -5.859 -0.386 7.574 83 1HE LYS 10 1HE LYS 10 -6.725 1.775 9.636 84 2HE LYS 10 2HE LYS 10 -5.205 0.813 9.701 85 1HZ LYS 10 1HZ LYS 10 -5.910 2.998 7.836 86 2HZ LYS 10 2HZ LYS 10 -4.791 1.781 7.373 87 3HZ LYS 10 3HZ LYS 10 -4.553 2.712 8.742 88 H ALA 11 H ALA 11 -9.854 -2.486 4.247 89 HA ALA 11 HA ALA 11 -10.462 -5.005 5.488 90 1HB ALA 11 1HB ALA 11 -12.222 -3.794 4.158 91 2HB ALA 11 2HB ALA 11 -11.878 -5.459 3.563 92 3HB ALA 11 3HB ALA 11 -11.229 -4.050 2.674 93 H VAL 12 H VAL 12 -8.701 -3.926 2.464 94 HA VAL 12 HA VAL 12 -8.149 -6.521 1.784 95 HB VAL 12 HB VAL 12 -7.101 -5.807 -0.098 96 1HG1 VAL 12 1HG1 VAL 12 -8.543 -4.301 -1.069 97 2HG1 VAL 12 2HG1 VAL 12 -8.887 -3.425 0.452 98 3HG1 VAL 12 3HG1 VAL 12 -9.538 -5.102 0.206 99 1HG2 VAL 12 1HG2 VAL 12 -5.261 -4.402 0.838 100 2HG2 VAL 12 2HG2 VAL 12 -6.445 -3.142 1.329 101 3HG2 VAL 12 3HG2 VAL 12 -6.173 -3.490 -0.404 102 H ASN 13 H ASN 13 -6.437 -4.383 3.900 103 HA ASN 13 HA ASN 13 -3.987 -5.776 3.817 104 1HB ASN 13 1HB ASN 13 -5.269 -3.766 5.717 105 2HB ASN 13 2HB ASN 13 -3.768 -4.620 6.216 106 1HD2 ASN 13 1HD2 ASN 13 -5.064 -2.363 3.742 107 2HD2 ASN 13 2HD2 ASN 13 -3.480 -1.743 3.329 108 H GLU 14 H GLU 14 -6.922 -6.829 4.974 109 HA GLU 14 HA GLU 14 -5.637 -9.174 5.878 110 1HB GLU 14 1HB GLU 14 -5.612 -7.663 7.971 111 2HB GLU 14 2HB GLU 14 -7.374 -7.921 8.038 112 1HG GLU 14 1HG GLU 14 -6.979 -10.417 8.201 113 2HG GLU 14 2HG GLU 14 -5.213 -10.148 8.005 114 H LEU 15 H LEU 15 -7.222 -8.709 3.708 115 HA LEU 15 HA LEU 15 -9.865 -9.373 4.124 116 1HB LEU 15 1HB LEU 15 -8.182 -8.500 2.133 117 2HB LEU 15 2HB LEU 15 -8.346 -10.186 1.616 118 HG LEU 15 HG LEU 15 -10.665 -9.928 1.136 119 1HD1 LEU 15 1HD1 LEU 15 -11.516 -8.575 3.081 120 2HD1 LEU 15 2HD1 LEU 15 -11.986 -7.845 1.511 121 3HD1 LEU 15 3HD1 LEU 15 -10.626 -7.132 2.448 122 1HD2 LEU 15 1HD2 LEU 15 -9.305 -7.296 0.278 123 2HD2 LEU 15 2HD2 LEU 15 -10.660 -8.145 -0.537 124 3HD2 LEU 15 3HD2 LEU 15 -9.023 -8.912 -0.473 125 HA PRO 16 HA PRO 16 -9.227 -13.699 4.731 126 1HB PRO 16 1HB PRO 16 -11.546 -14.902 3.938 127 2HB PRO 16 2HB PRO 16 -11.480 -13.751 5.354 128 1HG PRO 16 1HG PRO 16 -12.389 -13.138 2.482 129 2HG PRO 16 2HG PRO 16 -13.217 -12.696 4.031 130 1HD PRO 16 1HD PRO 16 -11.457 -11.030 2.604 131 2HD PRO 16 2HD PRO 16 -11.668 -10.895 4.420 132 H THR 17 H THR 17 -9.933 -12.487 1.543 133 HA THR 17 HA THR 17 -8.500 -14.777 0.360 134 HB THR 17 HB THR 17 -10.623 -12.933 -0.789 135 HG1 THR 17 HG1 THR 17 -11.738 -14.773 -1.024 136 1HG2 THR 17 1HG2 THR 17 -8.776 -13.424 -2.496 137 2HG2 THR 17 2HG2 THR 17 -10.345 -14.168 -2.921 138 3HG2 THR 17 3HG2 THR 17 -9.030 -15.192 -2.220 139 H LYS 18 H LYS 18 -6.811 -13.635 1.389 140 HA LYS 18 HA LYS 18 -6.226 -11.088 1.234 141 1HB LYS 18 1HB LYS 18 -4.182 -13.351 1.185 142 2HB LYS 18 2HB LYS 18 -3.795 -11.650 1.581 143 1HG LYS 18 1HG LYS 18 -5.592 -11.794 3.432 144 2HG LYS 18 2HG LYS 18 -5.630 -13.552 3.131 145 1HD LYS 18 1HD LYS 18 -4.165 -13.336 4.927 146 2HD LYS 18 2HD LYS 18 -3.040 -13.489 3.541 147 1HE LYS 18 1HE LYS 18 -2.721 -10.969 3.566 148 2HE LYS 18 2HE LYS 18 -3.919 -10.847 4.917 149 1HZ LYS 18 1HZ LYS 18 -1.246 -12.146 4.964 150 2HZ LYS 18 2HZ LYS 18 -2.409 -12.350 6.186 151 3HZ LYS 18 3HZ LYS 18 -1.789 -10.836 5.886 152 HA PRO 19 HA PRO 19 -5.290 -9.845 -2.730 153 1HB PRO 19 1HB PRO 19 -2.862 -8.404 -1.558 154 2HB PRO 19 2HB PRO 19 -4.072 -7.765 -2.743 155 1HG PRO 19 1HG PRO 19 -4.338 -7.133 -0.054 156 2HG PRO 19 2HG PRO 19 -5.803 -7.675 -0.966 157 1HD PRO 19 1HD PRO 19 -3.964 -9.353 0.827 158 2HD PRO 19 2HD PRO 19 -5.787 -9.241 0.762 159 H SER 20 H SER 20 -3.905 -10.257 -4.690 160 HA SER 20 HA SER 20 -2.548 -12.671 -4.170 161 1HB SER 20 1HB SER 20 -4.040 -12.264 -6.123 162 2HB SER 20 2HB SER 20 -2.780 -11.216 -6.833 163 HG SER 20 HG SER 20 -3.037 -13.798 -7.007 164 H THR 21 H THR 21 -0.496 -13.162 -5.437 165 HA THR 21 HA THR 21 1.371 -12.107 -3.750 166 HB THR 21 HB THR 21 1.334 -14.358 -4.576 167 HG1 THR 21 HG1 THR 21 3.372 -14.572 -4.348 168 1HG2 THR 21 1HG2 THR 21 2.403 -14.962 -6.711 169 2HG2 THR 21 2HG2 THR 21 2.653 -13.239 -7.144 170 3HG2 THR 21 3HG2 THR 21 0.978 -13.919 -7.045 171 H ASP 22 H ASP 22 1.087 -11.336 -7.228 172 HA ASP 22 HA ASP 22 3.190 -9.374 -7.001 173 1HB ASP 22 1HB ASP 22 1.328 -10.479 -9.168 174 2HB ASP 22 2HB ASP 22 2.188 -8.919 -9.457 175 H GLU 23 H GLU 23 -0.168 -9.412 -6.325 176 HA GLU 23 HA GLU 23 -0.658 -6.691 -7.117 177 1HB GLU 23 1HB GLU 23 -2.304 -8.594 -5.367 178 2HB GLU 23 2HB GLU 23 -2.833 -6.979 -5.922 179 1HG GLU 23 1HG GLU 23 -2.644 -7.739 -8.319 180 2HG GLU 23 2HG GLU 23 -2.218 -9.392 -7.747 181 H LEU 24 H LEU 24 -0.269 -8.466 -4.029 182 HA LEU 24 HA LEU 24 -0.597 -6.653 -2.169 183 1HB LEU 24 1HB LEU 24 -0.137 -9.139 -2.187 184 2HB LEU 24 2HB LEU 24 1.590 -8.791 -2.458 185 HG LEU 24 HG LEU 24 1.721 -7.757 -0.188 186 1HD1 LEU 24 1HD1 LEU 24 -0.592 -6.819 0.023 187 2HD1 LEU 24 2HD1 LEU 24 -0.258 -7.951 1.383 188 3HD1 LEU 24 3HD1 LEU 24 -1.278 -8.489 -0.004 189 1HD2 LEU 24 1HD2 LEU 24 2.072 -10.217 -0.513 190 2HD2 LEU 24 2HD2 LEU 24 0.316 -10.504 -0.231 191 3HD2 LEU 24 3HD2 LEU 24 1.349 -9.867 1.109 192 H LEU 25 H LEU 25 2.136 -6.733 -4.300 193 HA LEU 25 HA LEU 25 3.855 -5.025 -2.794 194 1HB LEU 25 1HB LEU 25 3.793 -5.993 -5.714 195 2HB LEU 25 2HB LEU 25 5.210 -5.241 -4.889 196 HG LEU 25 HG LEU 25 3.855 -7.933 -4.213 197 1HD1 LEU 25 1HD1 LEU 25 6.602 -7.375 -5.469 198 2HD1 LEU 25 2HD1 LEU 25 5.115 -7.889 -6.357 199 3HD1 LEU 25 3HD1 LEU 25 5.852 -8.983 -5.125 200 1HD2 LEU 25 1HD2 LEU 25 6.305 -6.572 -2.919 201 2HD2 LEU 25 2HD2 LEU 25 5.818 -8.293 -2.673 202 3HD2 LEU 25 3HD2 LEU 25 4.739 -6.963 -2.128 203 H GLU 26 H GLU 26 1.984 -4.657 -5.812 204 HA GLU 26 HA GLU 26 2.337 -1.880 -6.032 205 1HB GLU 26 1HB GLU 26 1.738 -3.336 -7.893 206 2HB GLU 26 2HB GLU 26 0.217 -3.815 -7.096 207 1HG GLU 26 1HG GLU 26 -0.742 -1.564 -7.390 208 2HG GLU 26 2HG GLU 26 0.838 -0.911 -7.956 209 H LEU 27 H LEU 27 -0.165 -3.846 -4.477 210 HA LEU 27 HA LEU 27 -1.768 -1.681 -3.681 211 1HB LEU 27 1HB LEU 27 -1.574 -4.616 -2.988 212 2HB LEU 27 2HB LEU 27 -2.552 -3.558 -1.943 213 HG LEU 27 HG LEU 27 -3.926 -4.728 -3.591 214 1HD1 LEU 27 1HD1 LEU 27 -4.659 -2.548 -2.637 215 2HD1 LEU 27 2HD1 LEU 27 -5.272 -2.817 -4.312 216 3HD1 LEU 27 3HD1 LEU 27 -3.908 -1.681 -4.035 217 1HD2 LEU 27 1HD2 LEU 27 -2.426 -4.858 -5.558 218 2HD2 LEU 27 2HD2 LEU 27 -2.514 -3.067 -5.765 219 3HD2 LEU 27 3HD2 LEU 27 -3.996 -4.075 -5.967 220 H TYR 28 H TYR 28 1.089 -3.168 -2.190 221 HA TYR 28 HA TYR 28 0.985 -1.694 0.177 222 1HB TYR 28 1HB TYR 28 2.481 -3.451 0.159 223 2HB TYR 28 2HB TYR 28 3.191 -3.025 -1.420 224 HD1 TYR 28 HD1 TYR 28 3.568 -2.787 2.121 225 HD2 TYR 28 HD2 TYR 28 4.665 -0.990 -1.573 226 HE1 TYR 28 HE1 TYR 28 5.557 -1.850 3.155 227 HE2 TYR 28 HE2 TYR 28 6.471 0.182 -0.493 228 HH TYR 28 HH TYR 28 7.596 -0.911 2.672 229 H ALA 29 H ALA 29 2.664 -0.842 -2.948 230 HA ALA 29 HA ALA 29 3.641 1.497 -2.130 231 1HB ALA 29 1HB ALA 29 4.169 0.342 -4.271 232 2HB ALA 29 2HB ALA 29 3.747 2.063 -4.573 233 3HB ALA 29 3HB ALA 29 2.540 0.761 -4.904 234 H LEU 30 H LEU 30 0.342 1.080 -3.491 235 HA LEU 30 HA LEU 30 -0.209 3.866 -3.218 236 1HB LEU 30 1HB LEU 30 -1.940 1.413 -3.728 237 2HB LEU 30 2HB LEU 30 -2.648 3.032 -3.407 238 HG LEU 30 HG LEU 30 -0.963 3.871 -5.285 239 1HD1 LEU 30 1HD1 LEU 30 0.054 1.576 -5.821 240 2HD1 LEU 30 2HD1 LEU 30 -0.972 2.158 -7.199 241 3HD1 LEU 30 3HD1 LEU 30 -1.624 0.937 -6.047 242 1HD2 LEU 30 1HD2 LEU 30 -3.361 4.144 -5.095 243 2HD2 LEU 30 2HD2 LEU 30 -3.639 2.481 -5.770 244 3HD2 LEU 30 3HD2 LEU 30 -2.851 3.757 -6.803 245 H TYR 31 H TYR 31 -0.947 1.037 -1.133 246 HA TYR 31 HA TYR 31 -2.627 2.452 0.588 247 1HB TYR 31 1HB TYR 31 -2.743 0.091 0.565 248 2HB TYR 31 2HB TYR 31 -1.009 -0.069 1.039 249 HD1 TYR 31 HD1 TYR 31 -4.062 1.862 2.279 250 HD2 TYR 31 HD2 TYR 31 -0.589 -0.413 3.190 251 HE1 TYR 31 HE1 TYR 31 -4.691 1.873 4.614 252 HE2 TYR 31 HE2 TYR 31 -1.122 -0.296 5.545 253 HH TYR 31 HH TYR 31 -2.689 0.243 7.069 254 H LYS 32 H LYS 32 0.876 1.628 0.865 255 HA LYS 32 HA LYS 32 1.413 3.275 3.044 256 1HB LYS 32 1HB LYS 32 3.213 2.362 0.748 257 2HB LYS 32 2HB LYS 32 3.807 3.169 2.210 258 1HG LYS 32 1HG LYS 32 2.407 0.436 2.088 259 2HG LYS 32 2HG LYS 32 4.132 0.787 2.358 260 1HD LYS 32 1HD LYS 32 1.793 1.324 4.276 261 2HD LYS 32 2HD LYS 32 3.166 0.193 4.448 262 1HE LYS 32 1HE LYS 32 4.708 2.293 4.381 263 2HE LYS 32 2HE LYS 32 3.191 3.275 4.609 264 1HZ LYS 32 1HZ LYS 32 2.807 2.029 6.668 265 2HZ LYS 32 2HZ LYS 32 4.356 2.743 6.701 266 3HZ LYS 32 3HZ LYS 32 4.173 1.101 6.382 267 H GLN 33 H GLN 33 1.218 4.160 -0.454 268 HA GLN 33 HA GLN 33 2.323 6.655 -0.195 269 1HB GLN 33 1HB GLN 33 0.253 5.442 -1.993 270 2HB GLN 33 2HB GLN 33 0.283 7.227 -1.948 271 1HG GLN 33 1HG GLN 33 2.455 7.423 -2.780 272 2HG GLN 33 2HG GLN 33 2.792 5.642 -2.585 273 1HE2 GLN 33 1HE2 GLN 33 2.300 4.339 -4.312 274 2HE2 GLN 33 2HE2 GLN 33 1.372 4.849 -5.722 275 H ALA 34 H ALA 34 -1.223 5.968 0.124 276 HA ALA 34 HA ALA 34 -1.349 8.731 1.127 277 1HB ALA 34 1HB ALA 34 -3.587 6.994 0.144 278 2HB ALA 34 2HB ALA 34 -2.981 8.577 -0.437 279 3HB ALA 34 3HB ALA 34 -3.852 8.486 1.121 280 H THR 35 H THR 35 -1.164 5.548 2.632 281 HA THR 35 HA THR 35 -2.379 6.318 4.957 282 HB THR 35 HB THR 35 -0.117 4.375 4.586 283 HG1 THR 35 HG1 THR 35 -1.917 3.664 3.642 284 1HG2 THR 35 1HG2 THR 35 -0.255 5.131 6.993 285 2HG2 THR 35 2HG2 THR 35 -1.025 3.508 6.782 286 3HG2 THR 35 3HG2 THR 35 -2.067 4.981 6.915 287 H VAL 36 H VAL 36 1.187 6.429 4.136 288 HA VAL 36 HA VAL 36 1.546 8.193 6.410 289 HB VAL 36 HB VAL 36 3.969 8.023 5.880 290 1HG1 VAL 36 1HG1 VAL 36 4.080 5.874 7.085 291 2HG1 VAL 36 2HG1 VAL 36 2.362 5.515 6.685 292 3HG1 VAL 36 3HG1 VAL 36 2.769 6.898 7.768 293 1HG2 VAL 36 1HG2 VAL 36 3.685 7.029 3.495 294 2HG2 VAL 36 2HG2 VAL 36 3.021 5.543 4.283 295 3HG2 VAL 36 3HG2 VAL 36 4.689 6.030 4.601 296 H GLY 37 H GLY 37 1.538 8.452 2.867 297 1HA GLY 37 1HA GLY 37 0.947 10.302 1.861 298 2HA GLY 37 2HA GLY 37 1.363 11.306 3.289 299 H ASP 38 H ASP 38 4.013 9.409 2.683 300 HA ASP 38 HA ASP 38 5.045 10.931 0.445 301 1HB ASP 38 1HB ASP 38 6.436 10.713 3.205 302 2HB ASP 38 2HB ASP 38 7.190 11.410 1.729 303 H ASN 39 H ASN 39 7.138 9.824 -0.268 304 HA ASN 39 HA ASN 39 7.435 7.115 0.381 305 1HB ASN 39 1HB ASN 39 9.702 7.272 -0.521 306 2HB ASN 39 2HB ASN 39 8.455 7.946 -1.615 307 1HD2 ASN 39 1HD2 ASN 39 11.474 8.462 -1.423 308 2HD2 ASN 39 2HD2 ASN 39 11.552 10.192 -1.305 309 H ASP 40 H ASP 40 7.325 6.657 2.540 310 HA ASP 40 HA ASP 40 8.601 8.394 4.354 311 1HB ASP 40 1HB ASP 40 6.329 7.467 4.552 312 2HB ASP 40 2HB ASP 40 7.006 5.807 4.769 313 H LYS 41 H LYS 41 9.010 4.763 4.096 314 HA LYS 41 HA LYS 41 11.231 5.071 5.912 315 1HB LYS 41 1HB LYS 41 10.021 2.631 4.551 316 2HB LYS 41 2HB LYS 41 11.193 2.611 5.918 317 1HG LYS 41 1HG LYS 41 9.471 3.797 7.342 318 2HG LYS 41 2HG LYS 41 8.303 3.674 5.996 319 1HD LYS 41 1HD LYS 41 9.597 1.350 7.547 320 2HD LYS 41 2HD LYS 41 7.917 1.920 7.621 321 1HE LYS 41 1HE LYS 41 7.422 0.305 6.120 322 2HE LYS 41 2HE LYS 41 8.142 1.427 4.895 323 1HZ LYS 41 1HZ LYS 41 9.693 -0.634 6.399 324 2HZ LYS 41 2HZ LYS 41 10.205 0.203 5.038 325 3HZ LYS 41 3HZ LYS 41 8.964 -0.932 4.915 326 H GLU 42 H GLU 42 12.715 6.195 4.500 327 HA GLU 42 HA GLU 42 13.264 5.380 1.921 328 1HB GLU 42 1HB GLU 42 13.367 7.639 3.235 329 2HB GLU 42 2HB GLU 42 15.023 7.135 3.661 330 1HG GLU 42 1HG GLU 42 15.343 6.928 1.007 331 2HG GLU 42 2HG GLU 42 13.807 7.851 0.914 332 H LYS 43 H LYS 43 13.905 3.290 3.867 333 HA LYS 43 HA LYS 43 16.501 2.489 2.911 334 1HB LYS 43 1HB LYS 43 16.100 2.971 5.880 335 2HB LYS 43 2HB LYS 43 17.355 1.883 5.195 336 1HG LYS 43 1HG LYS 43 18.280 3.758 3.841 337 2HG LYS 43 2HG LYS 43 17.054 4.856 4.559 338 1HD LYS 43 1HD LYS 43 18.020 4.444 6.835 339 2HD LYS 43 2HD LYS 43 19.260 3.378 6.112 340 1HE LYS 43 1HE LYS 43 20.140 5.679 6.573 341 2HE LYS 43 2HE LYS 43 20.220 5.279 4.813 342 1HZ LYS 43 1HZ LYS 43 18.601 6.793 4.337 343 2HZ LYS 43 2HZ LYS 43 19.192 7.524 5.754 344 3HZ LYS 43 3HZ LYS 43 17.794 6.605 5.798 345 HA PRO 44 HA PRO 44 13.886 -1.122 3.697 346 1HB PRO 44 1HB PRO 44 14.343 -2.409 1.320 347 2HB PRO 44 2HB PRO 44 13.129 -1.080 1.494 348 1HG PRO 44 1HG PRO 44 15.998 -0.831 0.435 349 2HG PRO 44 2HG PRO 44 14.463 -0.225 -0.329 350 1HD PRO 44 1HD PRO 44 16.105 1.351 1.277 351 2HD PRO 44 2HD PRO 44 14.304 1.585 1.259 352 H GLY 45 H GLY 45 14.880 -3.560 3.429 353 1HA GLY 45 1HA GLY 45 17.209 -3.435 4.973 354 2HA GLY 45 2HA GLY 45 16.410 -4.880 4.287 355 H ILE 46 H ILE 46 18.831 -5.410 4.330 356 HA ILE 46 HA ILE 46 20.356 -3.958 2.292 357 HB ILE 46 HB ILE 46 22.324 -4.599 3.289 358 1HG1 ILE 46 1HG1 ILE 46 20.737 -6.353 5.248 359 2HG1 ILE 46 2HG1 ILE 46 21.865 -6.921 3.967 360 1HG2 ILE 46 1HG2 ILE 46 22.076 -3.389 5.401 361 2HG2 ILE 46 2HG2 ILE 46 20.359 -3.888 5.560 362 3HG2 ILE 46 3HG2 ILE 46 20.853 -2.716 4.270 363 1HD1 ILE 46 1HD1 ILE 46 23.035 -7.001 6.094 364 2HD1 ILE 46 2HD1 ILE 46 22.641 -5.284 6.456 365 3HD1 ILE 46 3HD1 ILE 46 23.754 -5.686 5.095 366 H PHE 47 H PHE 47 19.502 -7.197 3.409 367 HA PHE 47 HA PHE 47 20.031 -8.260 0.736 368 1HB PHE 47 1HB PHE 47 19.711 -10.527 1.935 369 2HB PHE 47 2HB PHE 47 21.197 -9.587 2.258 370 HD1 PHE 47 HD1 PHE 47 21.841 -9.215 4.380 371 HD2 PHE 47 HD2 PHE 47 17.755 -10.131 3.665 372 HE1 PHE 47 HE1 PHE 47 21.405 -9.127 6.785 373 HE2 PHE 47 HE2 PHE 47 17.324 -10.088 6.073 374 HZ PHE 47 HZ PHE 47 19.136 -9.489 7.631 375 H ASN 48 H ASN 48 17.622 -6.582 2.055 376 HA ASN 48 HA ASN 48 15.541 -8.412 1.694 377 1HB ASN 48 1HB ASN 48 15.458 -6.416 3.227 378 2HB ASN 48 2HB ASN 48 15.009 -5.445 1.766 379 1HD2 ASN 48 1HD2 ASN 48 13.719 -7.137 4.331 380 2HD2 ASN 48 2HD2 ASN 48 12.197 -7.625 3.613 381 H MET 49 H MET 49 15.757 -9.251 -0.378 382 HA MET 49 HA MET 49 16.346 -7.730 -2.635 383 1HB MET 49 1HB MET 49 16.882 -10.158 -2.120 384 2HB MET 49 2HB MET 49 15.170 -10.554 -2.409 385 1HG MET 49 1HG MET 49 16.516 -11.123 -4.344 386 2HG MET 49 2HG MET 49 15.418 -9.793 -4.795 387 1HE MET 49 1HE MET 49 18.021 -11.011 -6.232 388 2HE MET 49 2HE MET 49 18.574 -9.489 -7.019 389 3HE MET 49 3HE MET 49 16.823 -9.844 -6.886 390 H LYS 50 H LYS 50 13.268 -8.634 -1.207 391 HA LYS 50 HA LYS 50 11.752 -7.850 -3.515 392 1HB LYS 50 1HB LYS 50 10.923 -8.191 -0.606 393 2HB LYS 50 2HB LYS 50 9.809 -7.964 -1.986 394 1HG LYS 50 1HG LYS 50 11.659 -10.266 -2.431 395 2HG LYS 50 2HG LYS 50 10.806 -10.370 -0.876 396 1HD LYS 50 1HD LYS 50 9.406 -11.527 -2.358 397 2HD LYS 50 2HD LYS 50 8.615 -9.962 -2.054 398 1HE LYS 50 1HE LYS 50 8.347 -10.492 -4.396 399 2HE LYS 50 2HE LYS 50 9.539 -9.139 -4.326 400 1HZ LYS 50 1HZ LYS 50 9.995 -11.121 -5.802 401 2HZ LYS 50 2HZ LYS 50 10.376 -12.003 -4.437 402 3HZ LYS 50 3HZ LYS 50 11.283 -10.630 -4.818 403 H ASP 51 H ASP 51 12.257 -6.290 -0.278 404 HA ASP 51 HA ASP 51 10.854 -4.029 -1.030 405 1HB ASP 51 1HB ASP 51 12.886 -4.527 1.203 406 2HB ASP 51 2HB ASP 51 11.979 -2.976 1.024 407 H ARG 52 H ARG 52 14.335 -4.677 -1.462 408 HA ARG 52 HA ARG 52 15.073 -2.117 -2.090 409 1HB ARG 52 1HB ARG 52 15.967 -4.853 -3.011 410 2HB ARG 52 2HB ARG 52 16.722 -3.406 -3.742 411 1HG ARG 52 1HG ARG 52 16.544 -3.739 -0.715 412 2HG ARG 52 2HG ARG 52 17.869 -4.485 -1.653 413 1HD ARG 52 1HD ARG 52 18.811 -2.410 -2.329 414 2HD ARG 52 2HD ARG 52 17.295 -1.485 -1.966 415 HE ARG 52 HE ARG 52 18.157 -2.715 0.483 416 1HH1 ARG 52 1HH1 ARG 52 19.492 -0.209 -1.692 417 2HH1 ARG 52 2HH1 ARG 52 19.703 0.920 -0.388 418 1HH2 ARG 52 1HH2 ARG 52 18.445 -1.207 2.133 419 2HH2 ARG 52 2HH2 ARG 52 19.277 0.274 1.819 420 H TYR 53 H TYR 53 13.218 -4.330 -4.184 421 HA TYR 53 HA TYR 53 13.301 -2.332 -6.300 422 1HB TYR 53 1HB TYR 53 11.707 -4.945 -6.086 423 2HB TYR 53 2HB TYR 53 11.886 -3.928 -7.564 424 HD1 TYR 53 HD1 TYR 53 12.784 -6.864 -6.396 425 HD2 TYR 53 HD2 TYR 53 14.687 -3.315 -7.754 426 HE1 TYR 53 HE1 TYR 53 14.751 -8.175 -7.065 427 HE2 TYR 53 HE2 TYR 53 16.660 -4.602 -8.377 428 HH TYR 53 HH TYR 53 17.727 -6.652 -7.962 429 H LYS 54 H LYS 54 10.905 -3.736 -4.000 430 HA LYS 54 HA LYS 54 8.901 -2.185 -5.280 431 1HB LYS 54 1HB LYS 54 8.453 -3.781 -2.780 432 2HB LYS 54 2HB LYS 54 7.276 -3.248 -4.009 433 1HG LYS 54 1HG LYS 54 9.395 -5.425 -4.151 434 2HG LYS 54 2HG LYS 54 7.641 -5.602 -4.277 435 1HD LYS 54 1HD LYS 54 9.436 -4.286 -6.428 436 2HD LYS 54 2HD LYS 54 8.988 -6.007 -6.340 437 1HE LYS 54 1HE LYS 54 6.550 -5.389 -6.596 438 2HE LYS 54 2HE LYS 54 7.046 -3.661 -6.822 439 1HZ LYS 54 1HZ LYS 54 8.342 -4.337 -8.729 440 2HZ LYS 54 2HZ LYS 54 6.777 -4.929 -8.933 441 3HZ LYS 54 3HZ LYS 54 8.026 -5.958 -8.448 442 H TRP 55 H TRP 55 10.948 -1.450 -2.529 443 HA TRP 55 HA TRP 55 9.269 0.688 -1.733 444 1HB TRP 55 1HB TRP 55 11.089 -0.374 -0.321 445 2HB TRP 55 2HB TRP 55 12.278 0.517 -1.318 446 HD1 TRP 55 HD1 TRP 55 9.822 1.037 1.656 447 HE1 TRP 55 HE1 TRP 55 9.303 3.520 1.892 448 HE3 TRP 55 HE3 TRP 55 12.938 2.882 -1.922 449 HZ2 TRP 55 HZ2 TRP 55 10.590 5.948 1.197 450 HZ3 TRP 55 HZ3 TRP 55 13.290 5.303 -2.007 451 HH2 TRP 55 HH2 TRP 55 12.207 6.798 -0.440 452 H GLU 56 H GLU 56 11.666 0.212 -4.328 453 HA GLU 56 HA GLU 56 11.640 2.972 -4.996 454 1HB GLU 56 1HB GLU 56 12.635 0.597 -6.607 455 2HB GLU 56 2HB GLU 56 12.643 2.307 -7.144 456 1HG GLU 56 1HG GLU 56 13.856 2.828 -4.893 457 2HG GLU 56 2HG GLU 56 14.223 1.076 -4.816 458 H ALA 57 H ALA 57 9.592 0.222 -5.726 459 HA ALA 57 HA ALA 57 8.126 1.578 -7.720 460 1HB ALA 57 1HB ALA 57 6.431 -0.199 -7.411 461 2HB ALA 57 2HB ALA 57 7.194 -0.695 -5.867 462 3HB ALA 57 3HB ALA 57 8.075 -0.919 -7.425 463 H TRP 58 H TRP 58 8.303 2.025 -4.335 464 HA TRP 58 HA TRP 58 5.698 3.188 -4.127 465 1HB TRP 58 1HB TRP 58 6.440 1.780 -2.257 466 2HB TRP 58 2HB TRP 58 7.859 2.842 -1.989 467 HD1 TRP 58 HD1 TRP 58 4.594 4.695 -2.542 468 HE1 TRP 58 HE1 TRP 58 4.003 5.821 -0.249 469 HE3 TRP 58 HE3 TRP 58 7.621 1.983 0.400 470 HZ2 TRP 58 HZ2 TRP 58 4.983 5.696 2.360 471 HZ3 TRP 58 HZ3 TRP 58 7.593 2.338 2.821 472 HH2 TRP 58 HH2 TRP 58 6.319 4.130 3.809 473 H GLU 59 H GLU 59 9.187 4.201 -3.716 474 HA GLU 59 HA GLU 59 8.612 6.891 -3.525 475 1HB GLU 59 1HB GLU 59 10.873 7.437 -3.858 476 2HB GLU 59 2HB GLU 59 10.664 6.125 -2.667 477 1HG GLU 59 1HG GLU 59 11.908 4.671 -3.819 478 2HG GLU 59 2HG GLU 59 11.179 5.078 -5.420 479 H ASN 60 H ASN 60 8.597 4.923 -6.348 480 HA ASN 60 HA ASN 60 8.827 6.742 -8.354 481 1HB ASN 60 1HB ASN 60 8.269 4.243 -8.343 482 2HB ASN 60 2HB ASN 60 6.585 4.673 -7.902 483 1HD2 ASN 60 1HD2 ASN 60 9.129 5.290 -10.411 484 2HD2 ASN 60 2HD2 ASN 60 8.017 5.534 -11.734 485 H LEU 61 H LEU 61 6.297 6.529 -5.941 486 HA LEU 61 HA LEU 61 5.113 9.010 -6.973 487 1HB LEU 61 1HB LEU 61 3.725 6.496 -6.074 488 2HB LEU 61 2HB LEU 61 2.979 8.060 -5.651 489 HG LEU 61 HG LEU 61 3.099 8.806 -8.007 490 1HD1 LEU 61 1HD1 LEU 61 3.104 6.875 -9.759 491 2HD1 LEU 61 2HD1 LEU 61 3.910 5.875 -8.472 492 3HD1 LEU 61 3HD1 LEU 61 4.696 7.381 -9.092 493 1HD2 LEU 61 1HD2 LEU 61 1.410 6.306 -7.388 494 2HD2 LEU 61 2HD2 LEU 61 1.046 7.538 -8.669 495 3HD2 LEU 61 3HD2 LEU 61 1.033 8.007 -6.925 496 H LYS 62 H LYS 62 7.291 8.771 -5.259 497 HA LYS 62 HA LYS 62 7.185 9.218 -2.772 498 1HB LYS 62 1HB LYS 62 8.973 11.005 -3.109 499 2HB LYS 62 2HB LYS 62 9.167 9.469 -3.970 500 1HG LYS 62 1HG LYS 62 8.076 10.679 -6.043 501 2HG LYS 62 2HG LYS 62 8.427 12.186 -5.132 502 1HD LYS 62 1HD LYS 62 10.817 11.396 -4.892 503 2HD LYS 62 2HD LYS 62 10.420 9.941 -5.848 504 1HE LYS 62 1HE LYS 62 10.227 12.837 -6.923 505 2HE LYS 62 2HE LYS 62 11.654 11.748 -7.128 506 1HZ LYS 62 1HZ LYS 62 10.206 10.174 -8.318 507 2HZ LYS 62 2HZ LYS 62 10.255 11.679 -9.042 508 3HZ LYS 62 3HZ LYS 62 8.902 11.237 -8.162 509 H GLY 63 H GLY 63 5.563 11.848 -4.663 510 1HA GLY 63 1HA GLY 63 5.251 13.167 -2.051 511 2HA GLY 63 2HA GLY 63 5.953 13.988 -3.489 512 H LYS 64 H LYS 64 3.904 12.259 -5.090 513 HA LYS 64 HA LYS 64 1.624 14.045 -4.677 514 1HB LYS 64 1HB LYS 64 2.887 14.065 -6.814 515 2HB LYS 64 2HB LYS 64 2.676 12.295 -6.999 516 1HG LYS 64 1HG LYS 64 0.372 12.498 -7.406 517 2HG LYS 64 2HG LYS 64 0.304 14.164 -6.708 518 1HD LYS 64 1HD LYS 64 1.625 15.070 -8.591 519 2HD LYS 64 2HD LYS 64 1.805 13.458 -9.331 520 1HE LYS 64 1HE LYS 64 -0.958 14.798 -8.889 521 2HE LYS 64 2HE LYS 64 0.051 15.067 -10.364 522 1HZ LYS 64 1HZ LYS 64 -0.993 12.406 -9.455 523 2HZ LYS 64 2HZ LYS 64 0.054 12.679 -10.732 524 3HZ LYS 64 3HZ LYS 64 -1.499 13.333 -10.760 525 H SER 65 H SER 65 2.525 11.584 -3.177 526 HA SER 65 HA SER 65 1.048 9.417 -3.650 527 1HB SER 65 1HB SER 65 1.680 10.617 -0.848 528 2HB SER 65 2HB SER 65 1.713 8.878 -1.269 529 HG SER 65 HG SER 65 3.561 9.511 -2.665 530 H GLN 66 H GLN 66 -0.019 12.096 -1.504 531 HA GLN 66 HA GLN 66 -2.453 10.688 -0.936 532 1HB GLN 66 1HB GLN 66 -1.154 13.273 -0.165 533 2HB GLN 66 2HB GLN 66 -2.929 13.136 0.074 534 1HG GLN 66 1HG GLN 66 -2.701 11.028 1.331 535 2HG GLN 66 2HG GLN 66 -0.913 11.053 1.119 536 1HE2 GLN 66 1HE2 GLN 66 -1.557 10.727 3.570 537 2HE2 GLN 66 2HE2 GLN 66 -1.414 12.182 4.531 538 H GLU 67 H GLU 67 -1.442 12.458 -3.600 539 HA GLU 67 HA GLU 67 -4.128 13.425 -4.195 540 1HB GLU 67 1HB GLU 67 -1.673 13.534 -6.001 541 2HB GLU 67 2HB GLU 67 -3.142 14.537 -6.101 542 1HG GLU 67 1HG GLU 67 -0.966 14.689 -3.893 543 2HG GLU 67 2HG GLU 67 -1.136 15.771 -5.311 544 H ASP 68 H ASP 68 -1.734 10.973 -5.245 545 HA ASP 68 HA ASP 68 -3.668 10.051 -7.243 546 1HB ASP 68 1HB ASP 68 -0.681 9.538 -6.652 547 2HB ASP 68 2HB ASP 68 -1.595 8.491 -7.802 548 H ALA 69 H ALA 69 -2.050 8.702 -4.350 549 HA ALA 69 HA ALA 69 -2.807 6.166 -4.782 550 1HB ALA 69 1HB ALA 69 -2.505 7.584 -2.119 551 2HB ALA 69 2HB ALA 69 -1.266 6.728 -3.115 552 3HB ALA 69 3HB ALA 69 -2.598 5.780 -2.344 553 H GLU 70 H GLU 70 -4.668 8.560 -2.830 554 HA GLU 70 HA GLU 70 -6.913 7.281 -2.146 555 1HB GLU 70 1HB GLU 70 -8.126 9.237 -2.256 556 2HB GLU 70 2HB GLU 70 -6.519 9.468 -1.520 557 1HG GLU 70 1HG GLU 70 -5.729 10.844 -3.268 558 2HG GLU 70 2HG GLU 70 -6.810 10.121 -4.499 559 H LYS 71 H LYS 71 -6.339 8.374 -5.532 560 HA LYS 71 HA LYS 71 -9.051 7.675 -6.290 561 1HB LYS 71 1HB LYS 71 -6.671 9.146 -7.513 562 2HB LYS 71 2HB LYS 71 -8.012 8.618 -8.567 563 1HG LYS 71 1HG LYS 71 -9.529 10.104 -7.732 564 2HG LYS 71 2HG LYS 71 -8.804 10.133 -6.091 565 1HD LYS 71 1HD LYS 71 -6.992 11.539 -6.768 566 2HD LYS 71 2HD LYS 71 -7.352 11.342 -8.509 567 1HE LYS 71 1HE LYS 71 -7.991 13.615 -7.456 568 2HE LYS 71 2HE LYS 71 -9.292 12.782 -8.398 569 1HZ LYS 71 1HZ LYS 71 -10.408 12.213 -6.536 570 2HZ LYS 71 2HZ LYS 71 -9.813 13.717 -6.032 571 3HZ LYS 71 3HZ LYS 71 -9.092 12.309 -5.489 572 H GLU 72 H GLU 72 -5.670 6.758 -7.057 573 HA GLU 72 HA GLU 72 -6.544 4.822 -8.936 574 1HB GLU 72 1HB GLU 72 -3.857 5.399 -7.631 575 2HB GLU 72 2HB GLU 72 -4.121 4.127 -8.876 576 1HG GLU 72 1HG GLU 72 -5.053 5.956 -10.415 577 2HG GLU 72 2HG GLU 72 -4.510 7.171 -9.207 578 H TYR 73 H TYR 73 -6.076 4.730 -5.451 579 HA TYR 73 HA TYR 73 -5.675 1.997 -5.264 580 1HB TYR 73 1HB TYR 73 -5.264 3.719 -3.427 581 2HB TYR 73 2HB TYR 73 -7.039 3.798 -3.156 582 HD1 TYR 73 HD1 TYR 73 -4.170 1.462 -3.465 583 HD2 TYR 73 HD2 TYR 73 -7.920 2.221 -1.619 584 HE1 TYR 73 HE1 TYR 73 -3.685 -0.281 -1.807 585 HE2 TYR 73 HE2 TYR 73 -7.507 0.414 -0.050 586 HH TYR 73 HH TYR 73 -4.404 -1.397 0.006 587 H ILE 74 H ILE 74 -8.818 3.861 -4.692 588 HA ILE 74 HA ILE 74 -10.311 1.678 -4.397 589 HB ILE 74 HB ILE 74 -10.982 3.877 -4.013 590 1HG1 ILE 74 1HG1 ILE 74 -12.879 2.486 -6.022 591 2HG1 ILE 74 2HG1 ILE 74 -12.611 1.918 -4.352 592 1HG2 ILE 74 1HG2 ILE 74 -11.229 4.230 -7.069 593 2HG2 ILE 74 2HG2 ILE 74 -10.083 5.067 -5.941 594 3HG2 ILE 74 3HG2 ILE 74 -11.837 5.374 -5.826 595 1HD1 ILE 74 1HD1 ILE 74 -13.588 4.017 -3.441 596 2HD1 ILE 74 2HD1 ILE 74 -14.716 3.240 -4.608 597 3HD1 ILE 74 3HD1 ILE 74 -13.776 4.682 -5.115 598 H ALA 75 H ALA 75 -9.205 2.783 -7.595 599 HA ALA 75 HA ALA 75 -10.947 0.984 -8.911 600 1HB ALA 75 1HB ALA 75 -9.517 1.489 -10.931 601 2HB ALA 75 2HB ALA 75 -8.296 2.263 -9.849 602 3HB ALA 75 3HB ALA 75 -9.926 2.996 -10.039 603 H LEU 76 H LEU 76 -7.662 0.519 -7.665 604 HA LEU 76 HA LEU 76 -7.360 -2.069 -8.808 605 1HB LEU 76 1HB LEU 76 -6.221 -0.873 -6.217 606 2HB LEU 76 2HB LEU 76 -5.657 -2.392 -6.974 607 HG LEU 76 HG LEU 76 -5.477 0.369 -8.301 608 1HD1 LEU 76 1HD1 LEU 76 -3.345 -1.224 -6.738 609 2HD1 LEU 76 2HD1 LEU 76 -4.261 0.184 -6.097 610 3HD1 LEU 76 3HD1 LEU 76 -3.147 0.399 -7.515 611 1HD2 LEU 76 1HD2 LEU 76 -4.099 -2.326 -8.950 612 2HD2 LEU 76 2HD2 LEU 76 -3.766 -0.749 -9.754 613 3HD2 LEU 76 3HD2 LEU 76 -5.380 -1.525 -9.938 614 H VAL 77 H VAL 77 -8.538 -0.832 -5.677 615 HA VAL 77 HA VAL 77 -8.767 -3.387 -4.481 616 HB VAL 77 HB VAL 77 -9.372 -0.582 -3.663 617 1HG1 VAL 77 1HG1 VAL 77 -11.077 -1.898 -2.486 618 2HG1 VAL 77 2HG1 VAL 77 -9.665 -1.723 -1.365 619 3HG1 VAL 77 3HG1 VAL 77 -9.937 -3.275 -2.248 620 1HG2 VAL 77 1HG2 VAL 77 -6.984 -1.285 -3.808 621 2HG2 VAL 77 2HG2 VAL 77 -7.380 -2.871 -3.037 622 3HG2 VAL 77 3HG2 VAL 77 -7.476 -1.361 -2.074 623 H ASP 78 H ASP 78 -11.080 -1.355 -6.377 624 HA ASP 78 HA ASP 78 -13.246 -2.893 -5.556 625 1HB ASP 78 1HB ASP 78 -13.227 -0.624 -6.739 626 2HB ASP 78 2HB ASP 78 -12.898 -1.527 -8.274 627 H GLN 79 H GLN 79 -10.800 -3.385 -8.078 628 HA GLN 79 HA GLN 79 -12.058 -5.633 -9.259 629 1HB GLN 79 1HB GLN 79 -9.119 -4.797 -9.150 630 2HB GLN 79 2HB GLN 79 -9.777 -6.079 -10.208 631 1HG GLN 79 1HG GLN 79 -11.060 -4.493 -11.527 632 2HG GLN 79 2HG GLN 79 -10.756 -3.154 -10.370 633 1HE2 GLN 79 1HE2 GLN 79 -9.009 -1.883 -10.742 634 2HE2 GLN 79 2HE2 GLN 79 -7.715 -2.224 -11.863 635 H LEU 80 H LEU 80 -9.967 -5.134 -6.485 636 HA LEU 80 HA LEU 80 -9.280 -7.848 -5.976 637 1HB LEU 80 1HB LEU 80 -9.365 -5.439 -4.093 638 2HB LEU 80 2HB LEU 80 -8.729 -7.051 -3.731 639 HG LEU 80 HG LEU 80 -7.497 -4.827 -5.305 640 1HD1 LEU 80 1HD1 LEU 80 -6.508 -7.054 -3.413 641 2HD1 LEU 80 2HD1 LEU 80 -6.760 -5.309 -3.012 642 3HD1 LEU 80 3HD1 LEU 80 -5.462 -5.810 -4.174 643 1HD2 LEU 80 1HD2 LEU 80 -7.473 -6.396 -7.140 644 2HD2 LEU 80 2HD2 LEU 80 -6.907 -7.748 -6.067 645 3HD2 LEU 80 3HD2 LEU 80 -5.844 -6.343 -6.402 646 H ILE 81 H ILE 81 -11.605 -5.572 -4.389 647 HA ILE 81 HA ILE 81 -12.465 -7.613 -2.719 648 HB ILE 81 HB ILE 81 -13.320 -4.846 -3.341 649 1HG1 ILE 81 1HG1 ILE 81 -11.981 -6.249 -0.938 650 2HG1 ILE 81 2HG1 ILE 81 -11.183 -5.198 -2.148 651 1HG2 ILE 81 1HG2 ILE 81 -14.559 -6.606 -1.112 652 2HG2 ILE 81 2HG2 ILE 81 -15.442 -6.023 -2.581 653 3HG2 ILE 81 3HG2 ILE 81 -14.876 -4.856 -1.367 654 1HD1 ILE 81 1HD1 ILE 81 -13.231 -4.337 -0.005 655 2HD1 ILE 81 2HD1 ILE 81 -12.664 -3.272 -1.349 656 3HD1 ILE 81 3HD1 ILE 81 -11.497 -3.883 -0.119 657 H ALA 82 H ALA 82 -13.826 -6.469 -5.807 658 HA ALA 82 HA ALA 82 -16.195 -7.862 -5.694 659 1HB ALA 82 1HB ALA 82 -14.293 -7.454 -8.071 660 2HB ALA 82 2HB ALA 82 -15.566 -6.309 -7.519 661 3HB ALA 82 3HB ALA 82 -16.039 -7.905 -8.190 662 H LYS 83 H LYS 83 -12.939 -9.211 -5.996 663 HA LYS 83 HA LYS 83 -14.029 -11.871 -6.417 664 1HB LYS 83 1HB LYS 83 -11.182 -10.790 -6.142 665 2HB LYS 83 2HB LYS 83 -11.597 -12.519 -6.427 666 1HG LYS 83 1HG LYS 83 -12.464 -11.938 -8.664 667 2HG LYS 83 2HG LYS 83 -12.295 -10.188 -8.298 668 1HD LYS 83 1HD LYS 83 -9.805 -10.597 -7.857 669 2HD LYS 83 2HD LYS 83 -10.011 -12.228 -8.586 670 1HE LYS 83 1HE LYS 83 -10.809 -11.164 -10.719 671 2HE LYS 83 2HE LYS 83 -10.732 -9.532 -9.915 672 1HZ LYS 83 1HZ LYS 83 -8.792 -10.112 -11.352 673 2HZ LYS 83 2HZ LYS 83 -8.331 -11.274 -10.194 674 3HZ LYS 83 3HZ LYS 83 -8.410 -9.666 -9.767 675 H TYR 84 H TYR 84 -12.326 -9.829 -4.053 676 HA TYR 84 HA TYR 84 -11.735 -12.140 -2.481 677 1HB TYR 84 1HB TYR 84 -10.801 -9.228 -2.365 678 2HB TYR 84 2HB TYR 84 -10.128 -10.558 -1.380 679 HD1 TYR 84 HD1 TYR 84 -8.455 -8.875 -2.751 680 HD2 TYR 84 HD2 TYR 84 -10.335 -12.381 -4.201 681 HE1 TYR 84 HE1 TYR 84 -6.668 -9.127 -4.400 682 HE2 TYR 84 HE2 TYR 84 -8.575 -12.655 -5.849 683 HH TYR 84 HH TYR 84 -5.898 -10.383 -6.192 684 H SER 85 H SER 85 -14.140 -9.736 -2.222 685 HA SER 85 HA SER 85 -14.313 -9.142 0.379 686 1HB SER 85 1HB SER 85 -15.850 -8.304 -1.323 687 2HB SER 85 2HB SER 85 -16.520 -9.935 -1.584 688 HG SER 85 HG SER 85 -17.671 -9.739 0.152 689 H SER 86 H SER 86 -15.720 -12.119 -1.034 690 HA SER 86 HA SER 86 -14.707 -13.634 1.012 691 1HB SER 86 1HB SER 86 -16.750 -14.668 1.978 692 2HB SER 86 2HB SER 86 -16.379 -13.014 2.543 693 HG SER 86 HG SER 86 -18.513 -13.211 2.159 Start of MODEL 10 1 1H VAL 1 1H VAL 1 -11.619 11.091 -0.792 2 2H VAL 1 2H VAL 1 -11.918 11.087 -2.452 3 3H VAL 1 3H VAL 1 -10.347 11.000 -1.907 4 HA VAL 1 HA VAL 1 -12.328 8.907 -1.453 5 HB VAL 1 HB VAL 1 -9.835 8.743 -3.161 6 1HG1 VAL 1 1HG1 VAL 1 -10.711 6.531 -2.415 7 2HG1 VAL 1 2HG1 VAL 1 -11.126 6.807 -4.132 8 3HG1 VAL 1 3HG1 VAL 1 -12.395 7.014 -2.872 9 1HG2 VAL 1 1HG2 VAL 1 -11.450 8.837 -5.106 10 2HG2 VAL 1 2HG2 VAL 1 -11.209 10.405 -4.299 11 3HG2 VAL 1 3HG2 VAL 1 -12.721 9.449 -3.999 12 H SER 2 H SER 2 -9.587 10.475 -0.107 13 HA SER 2 HA SER 2 -8.013 8.720 0.956 14 1HB SER 2 1HB SER 2 -9.199 11.182 2.348 15 2HB SER 2 2HB SER 2 -7.582 10.451 2.647 16 HG SER 2 HG SER 2 -6.980 11.050 0.612 17 H GLN 3 H GLN 3 -11.390 9.297 2.020 18 HA GLN 3 HA GLN 3 -10.839 8.099 4.521 19 1HB GLN 3 1HB GLN 3 -13.553 8.514 3.173 20 2HB GLN 3 2HB GLN 3 -13.289 8.035 4.876 21 1HG GLN 3 1HG GLN 3 -12.183 10.198 5.375 22 2HG GLN 3 2HG GLN 3 -12.372 10.718 3.655 23 1HE2 GLN 3 1HE2 GLN 3 -13.516 12.511 5.173 24 2HE2 GLN 3 2HE2 GLN 3 -15.230 12.268 5.325 25 H LEU 4 H LEU 4 -12.399 7.062 1.490 26 HA LEU 4 HA LEU 4 -12.986 4.446 2.138 27 1HB LEU 4 1HB LEU 4 -13.728 5.558 -0.026 28 2HB LEU 4 2HB LEU 4 -12.014 5.584 -0.569 29 HG LEU 4 HG LEU 4 -11.852 3.170 -0.502 30 1HD1 LEU 4 1HD1 LEU 4 -14.893 3.224 0.111 31 2HD1 LEU 4 2HD1 LEU 4 -13.610 2.555 1.193 32 3HD1 LEU 4 3HD1 LEU 4 -13.963 1.765 -0.390 33 1HD2 LEU 4 1HD2 LEU 4 -12.493 4.383 -2.588 34 2HD2 LEU 4 2HD2 LEU 4 -14.239 4.218 -2.169 35 3HD2 LEU 4 3HD2 LEU 4 -13.263 2.744 -2.528 36 H PHE 5 H PHE 5 -10.119 5.934 0.723 37 HA PHE 5 HA PHE 5 -8.701 3.885 -0.072 38 1HB PHE 5 1HB PHE 5 -7.652 5.827 -0.663 39 2HB PHE 5 2HB PHE 5 -8.204 6.646 0.829 40 HD1 PHE 5 HD1 PHE 5 -5.630 4.347 -0.487 41 HD2 PHE 5 HD2 PHE 5 -6.799 6.923 2.690 42 HE1 PHE 5 HE1 PHE 5 -3.537 3.877 0.672 43 HE2 PHE 5 HE2 PHE 5 -4.777 6.372 3.904 44 HZ PHE 5 HZ PHE 5 -3.260 4.688 3.042 45 H GLU 6 H GLU 6 -8.677 5.002 3.269 46 HA GLU 6 HA GLU 6 -6.862 2.813 3.959 47 1HB GLU 6 1HB GLU 6 -6.772 3.726 6.251 48 2HB GLU 6 2HB GLU 6 -6.173 4.825 4.984 49 1HG GLU 6 1HG GLU 6 -8.261 6.069 4.941 50 2HG GLU 6 2HG GLU 6 -8.999 4.923 6.159 51 H GLU 7 H GLU 7 -10.297 3.683 4.341 52 HA GLU 7 HA GLU 7 -10.959 1.738 6.211 53 1HB GLU 7 1HB GLU 7 -12.463 3.486 5.769 54 2HB GLU 7 2HB GLU 7 -12.355 3.281 4.000 55 1HG GLU 7 1HG GLU 7 -13.760 1.331 4.008 56 2HG GLU 7 2HG GLU 7 -13.717 1.193 5.815 57 H LYS 8 H LYS 8 -10.758 1.585 2.677 58 HA LYS 8 HA LYS 8 -11.295 -1.263 2.724 59 1HB LYS 8 1HB LYS 8 -11.606 0.955 0.855 60 2HB LYS 8 2HB LYS 8 -10.724 -0.371 0.076 61 1HG LYS 8 1HG LYS 8 -13.125 -0.570 -0.310 62 2HG LYS 8 2HG LYS 8 -12.508 -1.964 0.633 63 1HD LYS 8 1HD LYS 8 -13.433 -1.112 2.710 64 2HD LYS 8 2HD LYS 8 -13.917 0.427 1.955 65 1HE LYS 8 1HE LYS 8 -15.040 -2.332 1.076 66 2HE LYS 8 2HE LYS 8 -15.780 -1.304 2.366 67 1HZ LYS 8 1HZ LYS 8 -16.835 -0.849 0.299 68 2HZ LYS 8 2HZ LYS 8 -15.397 -0.517 -0.495 69 3HZ LYS 8 3HZ LYS 8 -15.961 0.488 0.770 70 H ALA 9 H ALA 9 -8.398 0.795 2.547 71 HA ALA 9 HA ALA 9 -6.771 -1.235 1.558 72 1HB ALA 9 1HB ALA 9 -6.054 0.933 3.632 73 2HB ALA 9 2HB ALA 9 -5.882 1.121 1.854 74 3HB ALA 9 3HB ALA 9 -4.895 -0.099 2.716 75 H LYS 10 H LYS 10 -7.623 -0.308 4.908 76 HA LYS 10 HA LYS 10 -6.197 -2.377 6.155 77 1HB LYS 10 1HB LYS 10 -8.543 -0.582 6.776 78 2HB LYS 10 2HB LYS 10 -7.954 -1.795 7.997 79 1HG LYS 10 1HG LYS 10 -5.685 -0.744 7.920 80 2HG LYS 10 2HG LYS 10 -6.288 0.534 6.824 81 1HD LYS 10 1HD LYS 10 -7.410 -0.097 9.612 82 2HD LYS 10 2HD LYS 10 -6.162 1.146 9.300 83 1HE LYS 10 1HE LYS 10 -7.720 2.496 7.939 84 2HE LYS 10 2HE LYS 10 -8.983 1.209 8.034 85 1HZ LYS 10 1HZ LYS 10 -8.972 1.525 10.470 86 2HZ LYS 10 2HZ LYS 10 -9.478 2.865 9.577 87 3HZ LYS 10 3HZ LYS 10 -7.963 2.868 10.301 88 H ALA 11 H ALA 11 -9.195 -2.468 4.381 89 HA ALA 11 HA ALA 11 -10.037 -4.968 5.491 90 1HB ALA 11 1HB ALA 11 -11.703 -3.494 4.321 91 2HB ALA 11 2HB ALA 11 -11.553 -5.117 3.545 92 3HB ALA 11 3HB ALA 11 -10.780 -3.701 2.783 93 H VAL 12 H VAL 12 -8.387 -4.005 2.346 94 HA VAL 12 HA VAL 12 -8.280 -6.620 1.560 95 HB VAL 12 HB VAL 12 -6.826 -5.916 -0.249 96 1HG1 VAL 12 1HG1 VAL 12 -8.479 -4.516 -1.303 97 2HG1 VAL 12 2HG1 VAL 12 -9.220 -4.069 0.280 98 3HG1 VAL 12 3HG1 VAL 12 -9.300 -5.774 -0.306 99 1HG2 VAL 12 1HG2 VAL 12 -6.210 -3.516 -0.511 100 2HG2 VAL 12 2HG2 VAL 12 -5.448 -4.134 0.992 101 3HG2 VAL 12 3HG2 VAL 12 -6.943 -3.136 1.074 102 H ASN 13 H ASN 13 -6.059 -4.812 3.544 103 HA ASN 13 HA ASN 13 -3.973 -6.725 3.278 104 1HB ASN 13 1HB ASN 13 -4.603 -4.550 5.375 105 2HB ASN 13 2HB ASN 13 -3.108 -5.566 5.447 106 1HD2 ASN 13 1HD2 ASN 13 -3.418 -2.575 4.901 107 2HD2 ASN 13 2HD2 ASN 13 -2.617 -2.346 3.366 108 H GLU 14 H GLU 14 -6.907 -6.842 5.086 109 HA GLU 14 HA GLU 14 -5.909 -9.302 6.321 110 1HB GLU 14 1HB GLU 14 -7.626 -7.222 7.744 111 2HB GLU 14 2HB GLU 14 -7.169 -8.844 8.362 112 1HG GLU 14 1HG GLU 14 -4.713 -8.134 8.232 113 2HG GLU 14 2HG GLU 14 -5.282 -6.466 7.863 114 H LEU 15 H LEU 15 -7.514 -8.818 3.836 115 HA LEU 15 HA LEU 15 -10.076 -9.785 4.498 116 1HB LEU 15 1HB LEU 15 -8.403 -9.243 2.070 117 2HB LEU 15 2HB LEU 15 -9.686 -10.447 1.813 118 HG LEU 15 HG LEU 15 -10.070 -7.570 2.765 119 1HD1 LEU 15 1HD1 LEU 15 -10.993 -8.910 0.155 120 2HD1 LEU 15 2HD1 LEU 15 -9.459 -7.977 0.295 121 3HD1 LEU 15 3HD1 LEU 15 -11.049 -7.161 0.580 122 1HD2 LEU 15 1HD2 LEU 15 -12.514 -7.921 2.460 123 2HD2 LEU 15 2HD2 LEU 15 -11.882 -8.947 3.787 124 3HD2 LEU 15 3HD2 LEU 15 -12.242 -9.672 2.167 125 HA PRO 16 HA PRO 16 -9.074 -13.917 5.049 126 1HB PRO 16 1HB PRO 16 -11.235 -15.349 4.145 127 2HB PRO 16 2HB PRO 16 -11.409 -14.148 5.492 128 1HG PRO 16 1HG PRO 16 -12.069 -13.753 2.517 129 2HG PRO 16 2HG PRO 16 -13.071 -13.300 3.949 130 1HD PRO 16 1HD PRO 16 -11.276 -11.595 2.572 131 2HD PRO 16 2HD PRO 16 -11.750 -11.327 4.323 132 H THR 17 H THR 17 -9.834 -12.930 1.774 133 HA THR 17 HA THR 17 -8.107 -15.046 0.694 134 HB THR 17 HB THR 17 -9.917 -13.041 -0.671 135 HG1 THR 17 HG1 THR 17 -11.060 -14.955 -1.218 136 1HG2 THR 17 1HG2 THR 17 -7.887 -13.775 -2.064 137 2HG2 THR 17 2HG2 THR 17 -9.433 -14.381 -2.736 138 3HG2 THR 17 3HG2 THR 17 -8.361 -15.502 -1.806 139 H LYS 18 H LYS 18 -6.484 -14.119 1.843 140 HA LYS 18 HA LYS 18 -5.730 -11.560 1.976 141 1HB LYS 18 1HB LYS 18 -3.953 -14.051 2.009 142 2HB LYS 18 2HB LYS 18 -3.505 -12.464 2.721 143 1HG LYS 18 1HG LYS 18 -5.470 -12.605 4.256 144 2HG LYS 18 2HG LYS 18 -5.934 -14.181 3.568 145 1HD LYS 18 1HD LYS 18 -4.892 -14.620 5.595 146 2HD LYS 18 2HD LYS 18 -3.753 -15.181 4.334 147 1HE LYS 18 1HE LYS 18 -2.220 -13.321 4.761 148 2HE LYS 18 2HE LYS 18 -3.496 -12.412 5.669 149 1HZ LYS 18 1HZ LYS 18 -2.249 -14.982 6.533 150 2HZ LYS 18 2HZ LYS 18 -3.476 -14.172 7.335 151 3HZ LYS 18 3HZ LYS 18 -1.959 -13.454 7.202 152 HA PRO 19 HA PRO 19 -4.265 -10.217 -1.714 153 1HB PRO 19 1HB PRO 19 -1.640 -9.388 -0.376 154 2HB PRO 19 2HB PRO 19 -2.630 -8.439 -1.563 155 1HG PRO 19 1HG PRO 19 -2.890 -7.945 1.136 156 2HG PRO 19 2HG PRO 19 -4.388 -8.106 0.128 157 1HD PRO 19 1HD PRO 19 -3.107 -10.204 1.949 158 2HD PRO 19 2HD PRO 19 -4.862 -9.771 1.662 159 H SER 20 H SER 20 -3.274 -10.983 -3.643 160 HA SER 20 HA SER 20 -1.482 -13.157 -3.434 161 1HB SER 20 1HB SER 20 -2.474 -11.595 -5.858 162 2HB SER 20 2HB SER 20 -1.472 -13.088 -5.955 163 HG SER 20 HG SER 20 -3.830 -13.326 -6.043 164 H THR 21 H THR 21 0.520 -13.361 -4.696 165 HA THR 21 HA THR 21 2.220 -11.843 -3.247 166 HB THR 21 HB THR 21 2.480 -14.172 -3.914 167 HG1 THR 21 HG1 THR 21 4.623 -14.083 -3.881 168 1HG2 THR 21 1HG2 THR 21 3.745 -13.024 -6.500 169 2HG2 THR 21 2HG2 THR 21 2.160 -13.893 -6.426 170 3HG2 THR 21 3HG2 THR 21 3.680 -14.736 -5.973 171 H ASP 22 H ASP 22 1.557 -11.353 -6.731 172 HA ASP 22 HA ASP 22 3.604 -9.307 -6.786 173 1HB ASP 22 1HB ASP 22 1.578 -10.165 -8.928 174 2HB ASP 22 2HB ASP 22 3.019 -9.110 -9.183 175 H GLU 23 H GLU 23 0.230 -9.516 -6.209 176 HA GLU 23 HA GLU 23 -0.530 -6.936 -7.108 177 1HB GLU 23 1HB GLU 23 -1.910 -8.852 -5.156 178 2HB GLU 23 2HB GLU 23 -2.657 -7.398 -5.879 179 1HG GLU 23 1HG GLU 23 -1.676 -9.847 -7.476 180 2HG GLU 23 2HG GLU 23 -3.361 -9.567 -6.938 181 H LEU 24 H LEU 24 0.020 -8.389 -3.847 182 HA LEU 24 HA LEU 24 -0.361 -6.414 -2.175 183 1HB LEU 24 1HB LEU 24 0.321 -8.783 -1.811 184 2HB LEU 24 2HB LEU 24 1.951 -8.422 -2.438 185 HG LEU 24 HG LEU 24 2.420 -6.984 -0.464 186 1HD1 LEU 24 1HD1 LEU 24 0.138 -6.075 -0.014 187 2HD1 LEU 24 2HD1 LEU 24 0.787 -6.904 1.451 188 3HD1 LEU 24 3HD1 LEU 24 -0.444 -7.729 0.416 189 1HD2 LEU 24 1HD2 LEU 24 1.211 -9.737 0.227 190 2HD2 LEU 24 2HD2 LEU 24 2.402 -8.831 1.242 191 3HD2 LEU 24 3HD2 LEU 24 2.875 -9.440 -0.395 192 H LEU 25 H LEU 25 2.529 -6.711 -4.205 193 HA LEU 25 HA LEU 25 4.031 -4.692 -2.996 194 1HB LEU 25 1HB LEU 25 4.078 -5.910 -5.816 195 2HB LEU 25 2HB LEU 25 5.464 -5.126 -4.986 196 HG LEU 25 HG LEU 25 4.049 -7.794 -4.397 197 1HD1 LEU 25 1HD1 LEU 25 6.965 -7.087 -5.080 198 2HD1 LEU 25 2HD1 LEU 25 5.721 -7.727 -6.222 199 3HD1 LEU 25 3HD1 LEU 25 6.288 -8.748 -4.844 200 1HD2 LEU 25 1HD2 LEU 25 4.563 -6.703 -2.151 201 2HD2 LEU 25 2HD2 LEU 25 6.305 -6.662 -2.631 202 3HD2 LEU 25 3HD2 LEU 25 5.451 -8.229 -2.471 203 H GLU 26 H GLU 26 2.095 -4.733 -5.953 204 HA GLU 26 HA GLU 26 2.506 -2.083 -6.748 205 1HB GLU 26 1HB GLU 26 1.575 -4.111 -8.047 206 2HB GLU 26 2HB GLU 26 0.056 -3.877 -7.167 207 1HG GLU 26 1HG GLU 26 -0.335 -2.861 -9.238 208 2HG GLU 26 2HG GLU 26 0.028 -1.445 -8.201 209 H LEU 27 H LEU 27 0.135 -3.638 -4.649 210 HA LEU 27 HA LEU 27 -1.353 -1.267 -4.153 211 1HB LEU 27 1HB LEU 27 -1.423 -4.144 -3.225 212 2HB LEU 27 2HB LEU 27 -2.358 -2.919 -2.330 213 HG LEU 27 HG LEU 27 -3.694 -4.172 -3.968 214 1HD1 LEU 27 1HD1 LEU 27 -3.552 -1.149 -4.517 215 2HD1 LEU 27 2HD1 LEU 27 -4.407 -1.957 -3.143 216 3HD1 LEU 27 3HD1 LEU 27 -4.948 -2.241 -4.837 217 1HD2 LEU 27 1HD2 LEU 27 -2.156 -2.667 -6.174 218 2HD2 LEU 27 2HD2 LEU 27 -3.644 -3.651 -6.384 219 3HD2 LEU 27 3HD2 LEU 27 -2.115 -4.444 -5.870 220 H TYR 28 H TYR 28 1.282 -2.934 -2.429 221 HA TYR 28 HA TYR 28 1.336 -1.480 -0.132 222 1HB TYR 28 1HB TYR 28 2.887 -3.266 -0.371 223 2HB TYR 28 2HB TYR 28 3.552 -2.594 -1.892 224 HD1 TYR 28 HD1 TYR 28 4.955 -0.586 -1.860 225 HD2 TYR 28 HD2 TYR 28 3.883 -2.634 1.709 226 HE1 TYR 28 HE1 TYR 28 6.600 0.692 -0.663 227 HE2 TYR 28 HE2 TYR 28 5.746 -1.575 2.864 228 HH TYR 28 HH TYR 28 7.410 -0.031 2.760 229 H ALA 29 H ALA 29 2.881 -0.547 -3.260 230 HA ALA 29 HA ALA 29 3.857 1.825 -2.462 231 1HB ALA 29 1HB ALA 29 3.758 2.465 -4.903 232 2HB ALA 29 2HB ALA 29 2.604 1.104 -5.175 233 3HB ALA 29 3HB ALA 29 4.293 0.763 -4.671 234 H LEU 30 H LEU 30 0.558 1.390 -3.825 235 HA LEU 30 HA LEU 30 -0.211 4.080 -3.352 236 1HB LEU 30 1HB LEU 30 -1.588 1.418 -3.944 237 2HB LEU 30 2HB LEU 30 -2.561 2.821 -3.428 238 HG LEU 30 HG LEU 30 -0.972 4.001 -5.392 239 1HD1 LEU 30 1HD1 LEU 30 -1.377 2.501 -7.415 240 2HD1 LEU 30 2HD1 LEU 30 -1.947 1.204 -6.301 241 3HD1 LEU 30 3HD1 LEU 30 -0.215 1.726 -6.263 242 1HD2 LEU 30 1HD2 LEU 30 -3.791 2.886 -5.710 243 2HD2 LEU 30 2HD2 LEU 30 -3.013 4.332 -6.497 244 3HD2 LEU 30 3HD2 LEU 30 -3.307 4.322 -4.710 245 H TYR 31 H TYR 31 -0.661 1.172 -1.308 246 HA TYR 31 HA TYR 31 -2.360 2.329 0.489 247 1HB TYR 31 1HB TYR 31 -2.088 -0.023 0.494 248 2HB TYR 31 2HB TYR 31 -0.346 0.124 0.932 249 HD1 TYR 31 HD1 TYR 31 -3.478 1.859 2.218 250 HD2 TYR 31 HD2 TYR 31 0.017 -0.402 3.064 251 HE1 TYR 31 HE1 TYR 31 -3.999 1.998 4.541 252 HE2 TYR 31 HE2 TYR 31 -0.459 -0.223 5.459 253 HH TYR 31 HH TYR 31 -3.068 1.794 6.637 254 H LYS 32 H LYS 32 1.182 1.912 0.733 255 HA LYS 32 HA LYS 32 1.673 3.521 2.927 256 1HB LYS 32 1HB LYS 32 3.471 2.743 0.588 257 2HB LYS 32 2HB LYS 32 4.051 3.452 2.112 258 1HG LYS 32 1HG LYS 32 2.695 0.721 1.722 259 2HG LYS 32 2HG LYS 32 4.403 1.089 2.078 260 1HD LYS 32 1HD LYS 32 2.005 1.413 3.981 261 2HD LYS 32 2HD LYS 32 3.333 0.217 4.024 262 1HE LYS 32 1HE LYS 32 4.933 2.300 4.244 263 2HE LYS 32 2HE LYS 32 3.420 3.213 4.676 264 1HZ LYS 32 1HZ LYS 32 4.457 0.743 6.009 265 2HZ LYS 32 2HZ LYS 32 3.067 1.593 6.463 266 3HZ LYS 32 3HZ LYS 32 4.574 2.306 6.635 267 H GLN 33 H GLN 33 1.409 4.472 -0.514 268 HA GLN 33 HA GLN 33 2.398 7.027 -0.273 269 1HB GLN 33 1HB GLN 33 0.173 5.878 -2.004 270 2HB GLN 33 2HB GLN 33 0.516 7.624 -2.031 271 1HG GLN 33 1HG GLN 33 2.730 7.374 -2.853 272 2HG GLN 33 2HG GLN 33 2.674 5.590 -2.676 273 1HE2 GLN 33 1HE2 GLN 33 2.280 4.568 -4.601 274 2HE2 GLN 33 2HE2 GLN 33 1.325 5.229 -5.921 275 H ALA 34 H ALA 34 -1.048 6.064 0.115 276 HA ALA 34 HA ALA 34 -1.497 8.794 1.079 277 1HB ALA 34 1HB ALA 34 -3.967 8.036 1.153 278 2HB ALA 34 2HB ALA 34 -3.379 6.630 0.171 279 3HB ALA 34 3HB ALA 34 -3.169 8.314 -0.419 280 H THR 35 H THR 35 -0.757 5.761 2.572 281 HA THR 35 HA THR 35 -1.975 6.273 4.989 282 HB THR 35 HB THR 35 0.560 4.750 4.390 283 HG1 THR 35 HG1 THR 35 -1.261 3.798 3.612 284 1HG2 THR 35 1HG2 THR 35 -1.153 5.048 6.954 285 2HG2 THR 35 2HG2 THR 35 0.616 5.428 6.780 286 3HG2 THR 35 3HG2 THR 35 0.047 3.724 6.660 287 H VAL 36 H VAL 36 1.498 6.930 4.003 288 HA VAL 36 HA VAL 36 1.632 8.846 6.173 289 HB VAL 36 HB VAL 36 3.392 7.577 6.280 290 1HG1 VAL 36 1HG1 VAL 36 3.408 6.295 4.225 291 2HG1 VAL 36 2HG1 VAL 36 4.988 7.095 4.351 292 3HG1 VAL 36 3HG1 VAL 36 3.763 7.740 3.216 293 1HG2 VAL 36 1HG2 VAL 36 4.516 9.961 4.690 294 2HG2 VAL 36 2HG2 VAL 36 5.249 9.057 6.063 295 3HG2 VAL 36 3HG2 VAL 36 3.823 10.096 6.355 296 H GLY 37 H GLY 37 2.052 8.938 2.600 297 1HA GLY 37 1HA GLY 37 1.294 10.658 1.411 298 2HA GLY 37 2HA GLY 37 1.590 11.805 2.785 299 H ASP 38 H ASP 38 4.299 10.055 2.732 300 HA ASP 38 HA ASP 38 5.572 11.350 0.445 301 1HB ASP 38 1HB ASP 38 6.567 11.251 3.372 302 2HB ASP 38 2HB ASP 38 7.647 11.614 1.978 303 H ASN 39 H ASN 39 7.492 10.002 -0.243 304 HA ASN 39 HA ASN 39 7.401 7.309 0.556 305 1HB ASN 39 1HB ASN 39 9.441 6.962 -0.667 306 2HB ASN 39 2HB ASN 39 8.274 7.933 -1.613 307 1HD2 ASN 39 1HD2 ASN 39 11.334 7.679 -1.671 308 2HD2 ASN 39 2HD2 ASN 39 11.895 9.326 -1.554 309 H ASP 40 H ASP 40 7.326 7.386 2.856 310 HA ASP 40 HA ASP 40 9.212 8.868 4.239 311 1HB ASP 40 1HB ASP 40 6.787 8.369 4.749 312 2HB ASP 40 2HB ASP 40 7.264 6.740 5.307 313 H LYS 41 H LYS 41 8.897 5.264 4.161 314 HA LYS 41 HA LYS 41 11.188 5.101 5.919 315 1HB LYS 41 1HB LYS 41 9.544 2.930 4.543 316 2HB LYS 41 2HB LYS 41 10.732 2.662 5.842 317 1HG LYS 41 1HG LYS 41 8.048 4.160 6.096 318 2HG LYS 41 2HG LYS 41 8.422 2.488 6.579 319 1HD LYS 41 1HD LYS 41 8.573 3.484 8.600 320 2HD LYS 41 2HD LYS 41 10.295 3.583 8.122 321 1HE LYS 41 1HE LYS 41 9.948 6.013 7.472 322 2HE LYS 41 2HE LYS 41 8.173 5.800 7.750 323 1HZ LYS 41 1HZ LYS 41 9.219 6.910 9.552 324 2HZ LYS 41 2HZ LYS 41 10.302 5.659 9.836 325 3HZ LYS 41 3HZ LYS 41 8.626 5.420 10.075 326 H GLU 42 H GLU 42 12.864 5.989 4.494 327 HA GLU 42 HA GLU 42 13.488 4.488 2.123 328 1HB GLU 42 1HB GLU 42 13.534 6.969 2.304 329 2HB GLU 42 2HB GLU 42 14.935 6.832 3.407 330 1HG GLU 42 1HG GLU 42 16.328 5.903 1.605 331 2HG GLU 42 2HG GLU 42 14.907 5.696 0.529 332 H LYS 43 H LYS 43 13.432 2.783 3.958 333 HA LYS 43 HA LYS 43 16.107 1.737 4.200 334 1HB LYS 43 1HB LYS 43 15.659 3.209 6.255 335 2HB LYS 43 2HB LYS 43 14.391 2.051 6.716 336 1HG LYS 43 1HG LYS 43 16.255 0.225 6.643 337 2HG LYS 43 2HG LYS 43 17.413 1.566 6.389 338 1HD LYS 43 1HD LYS 43 16.295 2.616 8.564 339 2HD LYS 43 2HD LYS 43 15.589 0.998 8.791 340 1HE LYS 43 1HE LYS 43 17.556 1.001 10.147 341 2HE LYS 43 2HE LYS 43 18.059 0.075 8.677 342 1HZ LYS 43 1HZ LYS 43 19.105 2.141 7.848 343 2HZ LYS 43 2HZ LYS 43 19.663 1.775 9.405 344 3HZ LYS 43 3HZ LYS 43 18.519 2.974 9.191 345 HA PRO 44 HA PRO 44 12.938 -1.508 3.746 346 1HB PRO 44 1HB PRO 44 13.688 -2.557 1.344 347 2HB PRO 44 2HB PRO 44 12.735 -1.013 1.486 348 1HG PRO 44 1HG PRO 44 15.729 -1.337 0.946 349 2HG PRO 44 2HG PRO 44 14.519 -0.230 0.150 350 1HD PRO 44 1HD PRO 44 16.222 0.443 2.363 351 2HD PRO 44 2HD PRO 44 14.710 1.335 1.874 352 H GLY 45 H GLY 45 13.927 -4.137 2.974 353 1HA GLY 45 1HA GLY 45 15.676 -4.466 5.190 354 2HA GLY 45 2HA GLY 45 15.032 -5.695 4.079 355 H ILE 46 H ILE 46 17.331 -6.414 4.667 356 HA ILE 46 HA ILE 46 19.344 -4.981 3.105 357 HB ILE 46 HB ILE 46 21.018 -5.816 4.376 358 1HG1 ILE 46 1HG1 ILE 46 19.044 -7.678 5.806 359 2HG1 ILE 46 2HG1 ILE 46 20.381 -8.167 4.710 360 1HG2 ILE 46 1HG2 ILE 46 18.711 -5.226 6.328 361 2HG2 ILE 46 2HG2 ILE 46 19.470 -3.961 5.277 362 3HG2 ILE 46 3HG2 ILE 46 20.448 -4.812 6.518 363 1HD1 ILE 46 1HD1 ILE 46 21.122 -8.513 6.992 364 2HD1 ILE 46 2HD1 ILE 46 20.690 -6.838 7.466 365 3HD1 ILE 46 3HD1 ILE 46 22.045 -7.121 6.314 366 H PHE 47 H PHE 47 18.256 -8.320 3.763 367 HA PHE 47 HA PHE 47 19.284 -9.157 1.180 368 1HB PHE 47 1HB PHE 47 18.526 -11.471 2.060 369 2HB PHE 47 2HB PHE 47 19.914 -10.664 2.843 370 HD1 PHE 47 HD1 PHE 47 19.973 -10.527 5.087 371 HD2 PHE 47 HD2 PHE 47 16.180 -10.952 3.215 372 HE1 PHE 47 HE1 PHE 47 18.894 -10.566 7.283 373 HE2 PHE 47 HE2 PHE 47 15.103 -10.996 5.406 374 HZ PHE 47 HZ PHE 47 16.458 -10.739 7.446 375 H ASN 48 H ASN 48 16.675 -7.501 2.022 376 HA ASN 48 HA ASN 48 14.579 -9.114 1.295 377 1HB ASN 48 1HB ASN 48 14.544 -6.912 2.575 378 2HB ASN 48 2HB ASN 48 14.283 -6.148 0.953 379 1HD2 ASN 48 1HD2 ASN 48 12.766 -7.630 3.642 380 2HD2 ASN 48 2HD2 ASN 48 11.226 -7.929 2.905 381 H MET 49 H MET 49 13.952 -9.895 -0.686 382 HA MET 49 HA MET 49 15.187 -8.818 -3.070 383 1HB MET 49 1HB MET 49 13.203 -11.111 -2.646 384 2HB MET 49 2HB MET 49 13.963 -10.696 -4.206 385 1HG MET 49 1HG MET 49 15.404 -11.626 -1.660 386 2HG MET 49 2HG MET 49 15.092 -12.595 -3.121 387 1HE MET 49 1HE MET 49 16.200 -12.400 -5.359 388 2HE MET 49 2HE MET 49 17.435 -11.188 -5.839 389 3HE MET 49 3HE MET 49 15.733 -10.681 -5.594 390 H LYS 50 H LYS 50 12.029 -8.829 -1.536 391 HA LYS 50 HA LYS 50 10.628 -7.855 -3.823 392 1HB LYS 50 1HB LYS 50 9.911 -8.071 -0.856 393 2HB LYS 50 2HB LYS 50 8.737 -7.665 -2.155 394 1HG LYS 50 1HG LYS 50 10.250 -10.326 -1.814 395 2HG LYS 50 2HG LYS 50 8.544 -9.991 -1.408 396 1HD LYS 50 1HD LYS 50 8.104 -9.446 -3.845 397 2HD LYS 50 2HD LYS 50 9.788 -9.939 -4.221 398 1HE LYS 50 1HE LYS 50 9.299 -12.232 -3.250 399 2HE LYS 50 2HE LYS 50 7.579 -11.741 -3.007 400 1HZ LYS 50 1HZ LYS 50 8.022 -12.981 -5.028 401 2HZ LYS 50 2HZ LYS 50 8.990 -11.741 -5.644 402 3HZ LYS 50 3HZ LYS 50 7.337 -11.486 -5.380 403 H ASP 51 H ASP 51 11.509 -6.442 -0.647 404 HA ASP 51 HA ASP 51 10.248 -4.078 -1.009 405 1HB ASP 51 1HB ASP 51 12.778 -4.603 0.639 406 2HB ASP 51 2HB ASP 51 11.732 -3.130 0.733 407 H ARG 52 H ARG 52 13.569 -4.808 -2.095 408 HA ARG 52 HA ARG 52 14.373 -2.278 -2.689 409 1HB ARG 52 1HB ARG 52 14.885 -4.866 -4.229 410 2HB ARG 52 2HB ARG 52 15.761 -3.332 -4.519 411 1HG ARG 52 1HG ARG 52 16.558 -3.320 -2.148 412 2HG ARG 52 2HG ARG 52 15.783 -4.916 -1.892 413 1HD ARG 52 1HD ARG 52 17.211 -5.902 -3.711 414 2HD ARG 52 2HD ARG 52 18.019 -4.314 -3.964 415 HE ARG 52 HE ARG 52 18.386 -6.194 -1.695 416 1HH1 ARG 52 1HH1 ARG 52 19.035 -2.831 -2.857 417 2HH1 ARG 52 2HH1 ARG 52 20.146 -2.582 -1.551 418 1HH2 ARG 52 1HH2 ARG 52 19.866 -5.610 0.040 419 2HH2 ARG 52 2HH2 ARG 52 20.822 -4.185 -0.179 420 H TYR 53 H TYR 53 12.239 -4.300 -4.780 421 HA TYR 53 HA TYR 53 12.290 -2.120 -6.692 422 1HB TYR 53 1HB TYR 53 11.154 -3.467 -8.259 423 2HB TYR 53 2HB TYR 53 12.611 -4.270 -7.631 424 HD1 TYR 53 HD1 TYR 53 12.440 -6.259 -6.259 425 HD2 TYR 53 HD2 TYR 53 8.992 -4.372 -7.865 426 HE1 TYR 53 HE1 TYR 53 11.204 -8.356 -6.062 427 HE2 TYR 53 HE2 TYR 53 7.748 -6.461 -7.674 428 HH TYR 53 HH TYR 53 7.865 -8.663 -7.244 429 H LYS 54 H LYS 54 9.908 -3.530 -4.396 430 HA LYS 54 HA LYS 54 8.009 -1.664 -5.484 431 1HB LYS 54 1HB LYS 54 6.327 -2.511 -4.032 432 2HB LYS 54 2HB LYS 54 7.090 -3.676 -5.135 433 1HG LYS 54 1HG LYS 54 6.613 -4.763 -3.139 434 2HG LYS 54 2HG LYS 54 8.392 -4.686 -3.263 435 1HD LYS 54 1HD LYS 54 8.477 -3.043 -1.466 436 2HD LYS 54 2HD LYS 54 6.721 -2.705 -1.582 437 1HE LYS 54 1HE LYS 54 6.073 -4.810 -0.618 438 2HE LYS 54 2HE LYS 54 7.707 -5.528 -0.869 439 1HZ LYS 54 1HZ LYS 54 8.408 -4.745 1.012 440 2HZ LYS 54 2HZ LYS 54 6.847 -4.292 1.445 441 3HZ LYS 54 3HZ LYS 54 7.921 -3.185 0.726 442 H TRP 55 H TRP 55 10.283 -1.387 -2.817 443 HA TRP 55 HA TRP 55 8.910 0.892 -1.831 444 1HB TRP 55 1HB TRP 55 10.724 -0.341 -0.572 445 2HB TRP 55 2HB TRP 55 11.916 0.362 -1.706 446 HD1 TRP 55 HD1 TRP 55 9.607 1.334 1.290 447 HE1 TRP 55 HE1 TRP 55 9.556 3.852 1.527 448 HE3 TRP 55 HE3 TRP 55 12.891 2.558 -2.387 449 HZ2 TRP 55 HZ2 TRP 55 11.267 6.011 0.789 450 HZ3 TRP 55 HZ3 TRP 55 13.708 4.871 -2.509 451 HH2 TRP 55 HH2 TRP 55 12.957 6.554 -0.931 452 H GLU 56 H GLU 56 11.119 0.250 -4.566 453 HA GLU 56 HA GLU 56 11.376 3.045 -5.078 454 1HB GLU 56 1HB GLU 56 13.069 1.227 -5.531 455 2HB GLU 56 2HB GLU 56 12.127 0.821 -6.991 456 1HG GLU 56 1HG GLU 56 12.507 3.130 -7.889 457 2HG GLU 56 2HG GLU 56 13.177 3.670 -6.313 458 H ALA 57 H ALA 57 9.065 0.565 -5.931 459 HA ALA 57 HA ALA 57 7.761 2.083 -7.912 460 1HB ALA 57 1HB ALA 57 5.892 0.493 -7.583 461 2HB ALA 57 2HB ALA 57 6.603 -0.067 -6.036 462 3HB ALA 57 3HB ALA 57 7.445 -0.404 -7.591 463 H TRP 58 H TRP 58 7.897 2.286 -4.455 464 HA TRP 58 HA TRP 58 5.490 3.779 -4.175 465 1HB TRP 58 1HB TRP 58 6.224 2.256 -2.345 466 2HB TRP 58 2HB TRP 58 7.738 3.206 -2.142 467 HD1 TRP 58 HD1 TRP 58 4.631 5.270 -2.554 468 HE1 TRP 58 HE1 TRP 58 4.077 6.342 -0.225 469 HE3 TRP 58 HE3 TRP 58 7.687 2.488 0.291 470 HZ2 TRP 58 HZ2 TRP 58 5.108 6.187 2.338 471 HZ3 TRP 58 HZ3 TRP 58 7.781 2.864 2.719 472 HH2 TRP 58 HH2 TRP 58 6.535 4.662 3.751 473 H GLU 59 H GLU 59 9.006 4.249 -3.966 474 HA GLU 59 HA GLU 59 9.293 6.917 -3.787 475 1HB GLU 59 1HB GLU 59 11.039 4.990 -3.819 476 2HB GLU 59 2HB GLU 59 10.986 5.138 -5.593 477 1HG GLU 59 1HG GLU 59 11.500 7.778 -4.979 478 2HG GLU 59 2HG GLU 59 12.110 7.015 -3.481 479 H ASN 60 H ASN 60 8.111 5.173 -6.622 480 HA ASN 60 HA ASN 60 8.763 7.223 -8.431 481 1HB ASN 60 1HB ASN 60 8.134 4.754 -8.886 482 2HB ASN 60 2HB ASN 60 6.420 5.269 -8.735 483 1HD2 ASN 60 1HD2 ASN 60 5.660 5.436 -10.866 484 2HD2 ASN 60 2HD2 ASN 60 6.510 6.244 -12.154 485 H LEU 61 H LEU 61 6.289 7.043 -6.014 486 HA LEU 61 HA LEU 61 5.063 9.454 -7.163 487 1HB LEU 61 1HB LEU 61 3.714 6.991 -6.100 488 2HB LEU 61 2HB LEU 61 3.017 8.547 -5.625 489 HG LEU 61 HG LEU 61 3.147 9.269 -8.085 490 1HD1 LEU 61 1HD1 LEU 61 4.523 7.492 -9.042 491 2HD1 LEU 61 2HD1 LEU 61 2.859 7.365 -9.729 492 3HD1 LEU 61 3HD1 LEU 61 3.390 6.215 -8.428 493 1HD2 LEU 61 1HD2 LEU 61 1.056 8.811 -6.809 494 2HD2 LEU 61 2HD2 LEU 61 1.161 7.069 -7.258 495 3HD2 LEU 61 3HD2 LEU 61 0.915 8.316 -8.543 496 H LYS 62 H LYS 62 7.283 8.923 -5.247 497 HA LYS 62 HA LYS 62 7.086 9.335 -2.797 498 1HB LYS 62 1HB LYS 62 9.202 10.819 -2.982 499 2HB LYS 62 2HB LYS 62 9.162 9.198 -3.701 500 1HG LYS 62 1HG LYS 62 10.284 10.439 -5.276 501 2HG LYS 62 2HG LYS 62 8.678 10.200 -5.970 502 1HD LYS 62 1HD LYS 62 9.295 12.366 -6.514 503 2HD LYS 62 2HD LYS 62 7.984 12.449 -5.327 504 1HE LYS 62 1HE LYS 62 9.780 14.208 -4.911 505 2HE LYS 62 2HE LYS 62 9.696 13.067 -3.512 506 1HZ LYS 62 1HZ LYS 62 11.626 11.933 -4.319 507 2HZ LYS 62 2HZ LYS 62 11.997 13.566 -4.397 508 3HZ LYS 62 3HZ LYS 62 11.574 12.706 -5.788 509 H GLY 63 H GLY 63 6.042 12.107 -4.684 510 1HA GLY 63 1HA GLY 63 5.677 13.547 -2.143 511 2HA GLY 63 2HA GLY 63 6.205 14.283 -3.695 512 H LYS 64 H LYS 64 4.191 12.655 -5.260 513 HA LYS 64 HA LYS 64 2.025 14.503 -4.697 514 1HB LYS 64 1HB LYS 64 1.364 14.097 -6.971 515 2HB LYS 64 2HB LYS 64 3.151 14.123 -6.988 516 1HG LYS 64 1HG LYS 64 2.896 11.488 -6.659 517 2HG LYS 64 2HG LYS 64 1.235 11.752 -7.229 518 1HD LYS 64 1HD LYS 64 3.888 12.423 -8.653 519 2HD LYS 64 2HD LYS 64 2.779 11.106 -9.106 520 1HE LYS 64 1HE LYS 64 2.112 14.125 -9.338 521 2HE LYS 64 2HE LYS 64 2.752 13.088 -10.662 522 1HZ LYS 64 1HZ LYS 64 0.180 12.601 -9.223 523 2HZ LYS 64 2HZ LYS 64 0.761 11.717 -10.520 524 3HZ LYS 64 3HZ LYS 64 0.344 13.333 -10.712 525 H SER 65 H SER 65 2.823 11.557 -3.817 526 HA SER 65 HA SER 65 1.104 9.671 -3.921 527 1HB SER 65 1HB SER 65 2.226 11.085 -1.375 528 2HB SER 65 2HB SER 65 1.489 9.461 -1.256 529 HG SER 65 HG SER 65 3.668 9.943 -3.004 530 H GLN 66 H GLN 66 0.313 12.217 -1.489 531 HA GLN 66 HA GLN 66 -1.854 10.717 -0.647 532 1HB GLN 66 1HB GLN 66 -0.275 12.804 0.235 533 2HB GLN 66 2HB GLN 66 -1.808 13.659 -0.029 534 1HG GLN 66 1HG GLN 66 -2.997 11.870 1.368 535 2HG GLN 66 2HG GLN 66 -1.428 10.986 1.466 536 1HE2 GLN 66 1HE2 GLN 66 -1.048 11.009 3.628 537 2HE2 GLN 66 2HE2 GLN 66 -0.872 12.451 4.599 538 H GLU 67 H GLU 67 -1.676 12.718 -3.340 539 HA GLU 67 HA GLU 67 -4.576 13.144 -3.430 540 1HB GLU 67 1HB GLU 67 -2.392 14.177 -5.299 541 2HB GLU 67 2HB GLU 67 -4.150 14.473 -5.450 542 1HG GLU 67 1HG GLU 67 -4.103 15.485 -3.074 543 2HG GLU 67 2HG GLU 67 -2.307 15.465 -3.183 544 H ASP 68 H ASP 68 -1.902 11.287 -5.055 545 HA ASP 68 HA ASP 68 -3.944 10.540 -7.011 546 1HB ASP 68 1HB ASP 68 -0.873 10.382 -6.882 547 2HB ASP 68 2HB ASP 68 -1.808 9.493 -8.151 548 H ALA 69 H ALA 69 -2.088 9.061 -4.437 549 HA ALA 69 HA ALA 69 -2.537 6.435 -4.916 550 1HB ALA 69 1HB ALA 69 -1.180 7.386 -3.129 551 2HB ALA 69 2HB ALA 69 -2.399 6.292 -2.364 552 3HB ALA 69 3HB ALA 69 -2.614 8.094 -2.326 553 H GLU 70 H GLU 70 -4.595 8.457 -2.777 554 HA GLU 70 HA GLU 70 -6.666 6.858 -2.354 555 1HB GLU 70 1HB GLU 70 -8.054 8.808 -2.020 556 2HB GLU 70 2HB GLU 70 -6.463 8.879 -1.234 557 1HG GLU 70 1HG GLU 70 -5.678 10.636 -2.507 558 2HG GLU 70 2HG GLU 70 -6.488 10.065 -3.988 559 H LYS 71 H LYS 71 -6.484 8.702 -5.474 560 HA LYS 71 HA LYS 71 -9.145 7.834 -6.125 561 1HB LYS 71 1HB LYS 71 -6.986 9.389 -7.664 562 2HB LYS 71 2HB LYS 71 -8.698 9.254 -8.164 563 1HG LYS 71 1HG LYS 71 -9.429 10.652 -6.295 564 2HG LYS 71 2HG LYS 71 -7.792 10.623 -5.555 565 1HD LYS 71 1HD LYS 71 -6.825 11.613 -7.605 566 2HD LYS 71 2HD LYS 71 -8.458 11.740 -8.331 567 1HE LYS 71 1HE LYS 71 -8.004 13.942 -7.560 568 2HE LYS 71 2HE LYS 71 -9.091 13.275 -6.276 569 1HZ LYS 71 1HZ LYS 71 -7.217 12.960 -4.866 570 2HZ LYS 71 2HZ LYS 71 -6.934 14.469 -5.580 571 3HZ LYS 71 3HZ LYS 71 -6.136 13.105 -6.150 572 H GLU 72 H GLU 72 -5.829 6.834 -6.957 573 HA GLU 72 HA GLU 72 -6.861 5.128 -9.046 574 1HB GLU 72 1HB GLU 72 -4.204 5.479 -7.667 575 2HB GLU 72 2HB GLU 72 -4.471 4.118 -8.802 576 1HG GLU 72 1HG GLU 72 -4.998 7.034 -9.627 577 2HG GLU 72 2HG GLU 72 -3.347 6.332 -9.640 578 H TYR 73 H TYR 73 -6.122 4.890 -5.549 579 HA TYR 73 HA TYR 73 -5.979 2.233 -5.370 580 1HB TYR 73 1HB TYR 73 -5.513 4.105 -3.639 581 2HB TYR 73 2HB TYR 73 -7.240 4.032 -3.187 582 HD1 TYR 73 HD1 TYR 73 -7.718 2.527 -1.439 583 HD2 TYR 73 HD2 TYR 73 -4.322 1.802 -3.883 584 HE1 TYR 73 HE1 TYR 73 -7.014 0.748 0.064 585 HE2 TYR 73 HE2 TYR 73 -3.527 0.104 -2.298 586 HH TYR 73 HH TYR 73 -5.330 -0.703 0.620 587 H ILE 74 H ILE 74 -8.985 4.146 -4.718 588 HA ILE 74 HA ILE 74 -10.764 2.318 -4.187 589 HB ILE 74 HB ILE 74 -11.161 4.595 -4.325 590 1HG1 ILE 74 1HG1 ILE 74 -12.975 3.268 -6.458 591 2HG1 ILE 74 2HG1 ILE 74 -13.136 2.977 -4.706 592 1HG2 ILE 74 1HG2 ILE 74 -9.735 5.200 -6.262 593 2HG2 ILE 74 2HG2 ILE 74 -11.349 5.947 -6.324 594 3HG2 ILE 74 3HG2 ILE 74 -10.998 4.557 -7.389 595 1HD1 ILE 74 1HD1 ILE 74 -13.535 5.663 -6.189 596 2HD1 ILE 74 2HD1 ILE 74 -13.555 5.491 -4.394 597 3HD1 ILE 74 3HD1 ILE 74 -14.785 4.649 -5.396 598 H ALA 75 H ALA 75 -9.847 2.940 -7.559 599 HA ALA 75 HA ALA 75 -11.595 0.923 -8.529 600 1HB ALA 75 1HB ALA 75 -10.541 1.618 -10.748 601 2HB ALA 75 2HB ALA 75 -9.378 2.624 -9.793 602 3HB ALA 75 3HB ALA 75 -11.134 3.005 -9.767 603 H LEU 76 H LEU 76 -8.240 0.809 -7.516 604 HA LEU 76 HA LEU 76 -7.712 -1.701 -8.801 605 1HB LEU 76 1HB LEU 76 -6.480 -0.430 -6.284 606 2HB LEU 76 2HB LEU 76 -5.844 -1.873 -7.124 607 HG LEU 76 HG LEU 76 -6.013 0.927 -8.367 608 1HD1 LEU 76 1HD1 LEU 76 -3.646 1.125 -7.731 609 2HD1 LEU 76 2HD1 LEU 76 -3.634 -0.566 -7.083 610 3HD1 LEU 76 3HD1 LEU 76 -4.609 0.690 -6.252 611 1HD2 LEU 76 1HD2 LEU 76 -5.911 -0.892 -10.091 612 2HD2 LEU 76 2HD2 LEU 76 -4.503 -1.632 -9.237 613 3HD2 LEU 76 3HD2 LEU 76 -4.345 -0.007 -10.001 614 H VAL 77 H VAL 77 -8.646 -0.612 -5.527 615 HA VAL 77 HA VAL 77 -8.620 -3.163 -4.351 616 HB VAL 77 HB VAL 77 -9.468 -0.425 -3.523 617 1HG1 VAL 77 1HG1 VAL 77 -9.853 -3.124 -2.072 618 2HG1 VAL 77 2HG1 VAL 77 -11.052 -1.796 -2.287 619 3HG1 VAL 77 3HG1 VAL 77 -9.633 -1.572 -1.190 620 1HG2 VAL 77 1HG2 VAL 77 -7.021 -0.982 -3.714 621 2HG2 VAL 77 2HG2 VAL 77 -7.306 -2.519 -2.806 622 3HG2 VAL 77 3HG2 VAL 77 -7.494 -0.944 -1.974 623 H ASP 78 H ASP 78 -11.085 -1.378 -6.157 624 HA ASP 78 HA ASP 78 -13.215 -2.949 -5.513 625 1HB ASP 78 1HB ASP 78 -12.674 -0.877 -7.244 626 2HB ASP 78 2HB ASP 78 -12.818 -2.206 -8.438 627 H GLN 79 H GLN 79 -10.654 -3.536 -7.873 628 HA GLN 79 HA GLN 79 -11.690 -6.038 -8.777 629 1HB GLN 79 1HB GLN 79 -9.120 -4.471 -9.216 630 2HB GLN 79 2HB GLN 79 -9.254 -6.144 -9.801 631 1HG GLN 79 1HG GLN 79 -11.241 -3.930 -10.604 632 2HG GLN 79 2HG GLN 79 -9.764 -4.377 -11.529 633 1HE2 GLN 79 1HE2 GLN 79 -13.093 -5.122 -11.088 634 2HE2 GLN 79 2HE2 GLN 79 -13.076 -6.530 -12.132 635 H LEU 80 H LEU 80 -9.518 -5.056 -6.188 636 HA LEU 80 HA LEU 80 -8.498 -7.662 -5.618 637 1HB LEU 80 1HB LEU 80 -8.774 -5.106 -3.998 638 2HB LEU 80 2HB LEU 80 -8.422 -6.660 -3.220 639 HG LEU 80 HG LEU 80 -6.488 -6.983 -4.857 640 1HD1 LEU 80 1HD1 LEU 80 -5.362 -4.974 -5.713 641 2HD1 LEU 80 2HD1 LEU 80 -6.717 -3.922 -5.156 642 3HD1 LEU 80 3HD1 LEU 80 -6.982 -5.137 -6.469 643 1HD2 LEU 80 1HD2 LEU 80 -6.297 -6.527 -2.403 644 2HD2 LEU 80 2HD2 LEU 80 -6.324 -4.750 -2.735 645 3HD2 LEU 80 3HD2 LEU 80 -4.963 -5.771 -3.343 646 H ILE 81 H ILE 81 -11.190 -5.691 -4.250 647 HA ILE 81 HA ILE 81 -12.047 -7.716 -2.583 648 HB ILE 81 HB ILE 81 -13.002 -5.136 -3.627 649 1HG1 ILE 81 1HG1 ILE 81 -12.345 -6.194 -0.807 650 2HG1 ILE 81 2HG1 ILE 81 -11.203 -5.336 -1.893 651 1HG2 ILE 81 1HG2 ILE 81 -15.189 -6.382 -3.330 652 2HG2 ILE 81 2HG2 ILE 81 -15.000 -5.099 -2.114 653 3HG2 ILE 81 3HG2 ILE 81 -14.694 -6.803 -1.640 654 1HD1 ILE 81 1HD1 ILE 81 -12.009 -3.758 -0.248 655 2HD1 ILE 81 2HD1 ILE 81 -13.736 -4.148 -0.588 656 3HD1 ILE 81 3HD1 ILE 81 -12.740 -3.307 -1.838 657 H ALA 82 H ALA 82 -13.125 -6.918 -5.881 658 HA ALA 82 HA ALA 82 -15.286 -8.585 -6.057 659 1HB ALA 82 1HB ALA 82 -13.094 -8.003 -8.140 660 2HB ALA 82 2HB ALA 82 -14.549 -6.992 -7.830 661 3HB ALA 82 3HB ALA 82 -14.736 -8.646 -8.509 662 H LYS 83 H LYS 83 -11.864 -9.518 -5.947 663 HA LYS 83 HA LYS 83 -12.579 -12.311 -6.370 664 1HB LYS 83 1HB LYS 83 -9.907 -10.928 -5.815 665 2HB LYS 83 2HB LYS 83 -10.144 -12.683 -6.118 666 1HG LYS 83 1HG LYS 83 -11.095 -12.136 -8.368 667 2HG LYS 83 2HG LYS 83 -10.730 -10.410 -8.124 668 1HD LYS 83 1HD LYS 83 -8.685 -12.722 -8.094 669 2HD LYS 83 2HD LYS 83 -9.035 -11.693 -9.509 670 1HE LYS 83 1HE LYS 83 -7.832 -10.666 -6.848 671 2HE LYS 83 2HE LYS 83 -6.921 -11.034 -8.364 672 1HZ LYS 83 1HZ LYS 83 -9.045 -8.954 -8.040 673 2HZ LYS 83 2HZ LYS 83 -8.318 -9.350 -9.491 674 3HZ LYS 83 3HZ LYS 83 -7.396 -8.714 -8.231 675 H TYR 84 H TYR 84 -11.368 -10.006 -3.920 676 HA TYR 84 HA TYR 84 -10.726 -12.214 -2.262 677 1HB TYR 84 1HB TYR 84 -10.132 -9.212 -2.040 678 2HB TYR 84 2HB TYR 84 -9.448 -10.451 -0.960 679 HD1 TYR 84 HD1 TYR 84 -9.076 -12.443 -3.570 680 HD2 TYR 84 HD2 TYR 84 -7.908 -8.545 -2.387 681 HE1 TYR 84 HE1 TYR 84 -7.062 -12.657 -4.902 682 HE2 TYR 84 HE2 TYR 84 -5.866 -8.747 -3.708 683 HH TYR 84 HH TYR 84 -5.232 -11.624 -5.710 684 H SER 85 H SER 85 -13.419 -10.070 -2.223 685 HA SER 85 HA SER 85 -13.765 -9.822 0.471 686 1HB SER 85 1HB SER 85 -15.144 -8.810 -1.420 687 2HB SER 85 2HB SER 85 -16.080 -10.325 -1.471 688 HG SER 85 HG SER 85 -16.889 -9.859 0.478 689 H SER 86 H SER 86 -15.086 -12.509 -1.529 690 HA SER 86 HA SER 86 -14.564 -14.289 0.644 691 1HB SER 86 1HB SER 86 -17.443 -13.946 -0.369 692 2HB SER 86 2HB SER 86 -16.864 -15.365 0.571 693 HG SER 86 HG SER 86 -16.412 -13.962 2.278 Start of MODEL 11 1 1H VAL 1 1H VAL 1 -10.632 8.127 -3.200 2 2H VAL 1 2H VAL 1 -10.377 9.789 -3.235 3 3H VAL 1 3H VAL 1 -11.895 9.174 -3.636 4 HA VAL 1 HA VAL 1 -11.412 10.283 -1.401 5 HB VAL 1 HB VAL 1 -13.035 8.648 -0.254 6 1HG1 VAL 1 1HG1 VAL 1 -13.602 10.869 -1.244 7 2HG1 VAL 1 2HG1 VAL 1 -14.876 9.635 -1.531 8 3HG1 VAL 1 3HG1 VAL 1 -13.778 10.104 -2.868 9 1HG2 VAL 1 1HG2 VAL 1 -14.196 7.098 -1.668 10 2HG2 VAL 1 2HG2 VAL 1 -12.455 6.714 -1.937 11 3HG2 VAL 1 3HG2 VAL 1 -13.385 7.657 -3.158 12 H SER 2 H SER 2 -9.997 10.416 0.160 13 HA SER 2 HA SER 2 -8.125 8.475 0.748 14 1HB SER 2 1HB SER 2 -8.920 11.024 2.259 15 2HB SER 2 2HB SER 2 -7.383 10.109 2.466 16 HG SER 2 HG SER 2 -7.404 11.979 1.030 17 H GLN 3 H GLN 3 -11.268 9.258 2.179 18 HA GLN 3 HA GLN 3 -10.729 7.960 4.619 19 1HB GLN 3 1HB GLN 3 -13.299 8.743 3.158 20 2HB GLN 3 2HB GLN 3 -13.336 7.951 4.753 21 1HG GLN 3 1HG GLN 3 -11.916 10.628 4.165 22 2HG GLN 3 2HG GLN 3 -13.543 10.434 4.914 23 1HE2 GLN 3 1HE2 GLN 3 -10.896 11.563 6.007 24 2HE2 GLN 3 2HE2 GLN 3 -10.814 10.746 7.553 25 H LEU 4 H LEU 4 -12.310 6.943 1.609 26 HA LEU 4 HA LEU 4 -13.065 4.383 2.386 27 1HB LEU 4 1HB LEU 4 -13.807 5.597 0.252 28 2HB LEU 4 2HB LEU 4 -12.116 5.430 -0.364 29 HG LEU 4 HG LEU 4 -12.243 3.027 -0.316 30 1HD1 LEU 4 1HD1 LEU 4 -14.565 1.908 -0.077 31 2HD1 LEU 4 2HD1 LEU 4 -15.223 3.484 0.486 32 3HD1 LEU 4 3HD1 LEU 4 -13.995 2.621 1.481 33 1HD2 LEU 4 1HD2 LEU 4 -13.812 2.762 -2.258 34 2HD2 LEU 4 2HD2 LEU 4 -12.871 4.308 -2.364 35 3HD2 LEU 4 3HD2 LEU 4 -14.597 4.331 -1.843 36 H PHE 5 H PHE 5 -10.211 5.693 0.785 37 HA PHE 5 HA PHE 5 -8.719 3.570 0.212 38 1HB PHE 5 1HB PHE 5 -8.214 5.920 -0.352 39 2HB PHE 5 2HB PHE 5 -8.035 6.326 1.387 40 HD1 PHE 5 HD1 PHE 5 -6.151 5.558 2.671 41 HD2 PHE 5 HD2 PHE 5 -6.367 5.065 -1.538 42 HE1 PHE 5 HE1 PHE 5 -3.743 5.083 2.620 43 HE2 PHE 5 HE2 PHE 5 -3.957 4.545 -1.606 44 HZ PHE 5 HZ PHE 5 -2.649 4.659 0.467 45 H GLU 6 H GLU 6 -9.048 5.021 3.407 46 HA GLU 6 HA GLU 6 -7.057 3.153 4.472 47 1HB GLU 6 1HB GLU 6 -8.416 5.561 5.708 48 2HB GLU 6 2HB GLU 6 -7.682 4.289 6.728 49 1HG GLU 6 1HG GLU 6 -5.548 4.489 5.274 50 2HG GLU 6 2HG GLU 6 -6.211 6.065 4.708 51 H GLU 7 H GLU 7 -10.553 3.514 4.441 52 HA GLU 7 HA GLU 7 -11.097 1.514 6.332 53 1HB GLU 7 1HB GLU 7 -12.748 3.120 5.529 54 2HB GLU 7 2HB GLU 7 -12.551 2.552 3.855 55 1HG GLU 7 1HG GLU 7 -14.654 1.735 4.784 56 2HG GLU 7 2HG GLU 7 -13.568 0.356 4.422 57 H LYS 8 H LYS 8 -10.748 1.294 2.744 58 HA LYS 8 HA LYS 8 -11.003 -1.550 2.930 59 1HB LYS 8 1HB LYS 8 -10.462 0.197 0.497 60 2HB LYS 8 2HB LYS 8 -11.018 -1.513 0.512 61 1HG LYS 8 1HG LYS 8 -12.582 0.920 1.531 62 2HG LYS 8 2HG LYS 8 -12.843 0.059 -0.012 63 1HD LYS 8 1HD LYS 8 -13.507 -1.999 1.210 64 2HD LYS 8 2HD LYS 8 -13.171 -1.187 2.782 65 1HE LYS 8 1HE LYS 8 -14.958 0.487 2.361 66 2HE LYS 8 2HE LYS 8 -15.296 -0.247 0.746 67 1HZ LYS 8 1HZ LYS 8 -15.978 -2.233 1.775 68 2HZ LYS 8 2HZ LYS 8 -16.808 -0.959 2.504 69 3HZ LYS 8 3HZ LYS 8 -15.537 -1.719 3.335 70 H ALA 9 H ALA 9 -8.177 0.636 2.713 71 HA ALA 9 HA ALA 9 -6.489 -1.220 1.607 72 1HB ALA 9 1HB ALA 9 -5.784 1.161 1.962 73 2HB ALA 9 2HB ALA 9 -4.684 0.043 2.818 74 3HB ALA 9 3HB ALA 9 -5.943 0.970 3.743 75 H LYS 10 H LYS 10 -7.219 -0.471 4.942 76 HA LYS 10 HA LYS 10 -5.698 -2.380 6.276 77 1HB LYS 10 1HB LYS 10 -8.188 -0.705 6.635 78 2HB LYS 10 2HB LYS 10 -7.700 -1.819 7.982 79 1HG LYS 10 1HG LYS 10 -5.969 0.464 6.794 80 2HG LYS 10 2HG LYS 10 -7.005 0.587 8.237 81 1HD LYS 10 1HD LYS 10 -5.682 -1.345 9.270 82 2HD LYS 10 2HD LYS 10 -4.512 -1.172 7.918 83 1HE LYS 10 1HE LYS 10 -4.158 1.260 8.583 84 2HE LYS 10 2HE LYS 10 -5.342 1.033 9.928 85 1HZ LYS 10 1HZ LYS 10 -3.827 -0.759 10.757 86 2HZ LYS 10 2HZ LYS 10 -3.178 0.804 10.792 87 3HZ LYS 10 3HZ LYS 10 -2.713 -0.300 9.583 88 H ALA 11 H ALA 11 -8.668 -2.730 4.458 89 HA ALA 11 HA ALA 11 -9.307 -5.298 5.575 90 1HB ALA 11 1HB ALA 11 -10.953 -5.479 3.768 91 2HB ALA 11 2HB ALA 11 -10.302 -4.019 2.963 92 3HB ALA 11 3HB ALA 11 -11.111 -3.876 4.569 93 H VAL 12 H VAL 12 -7.887 -4.166 2.361 94 HA VAL 12 HA VAL 12 -7.596 -6.781 1.586 95 HB VAL 12 HB VAL 12 -6.324 -5.931 -0.309 96 1HG1 VAL 12 1HG1 VAL 12 -8.892 -4.407 0.381 97 2HG1 VAL 12 2HG1 VAL 12 -8.789 -6.126 -0.161 98 3HG1 VAL 12 3HG1 VAL 12 -8.226 -4.806 -1.249 99 1HG2 VAL 12 1HG2 VAL 12 -6.034 -3.478 -0.603 100 2HG2 VAL 12 2HG2 VAL 12 -5.094 -4.000 0.826 101 3HG2 VAL 12 3HG2 VAL 12 -6.677 -3.168 1.033 102 H ASN 13 H ASN 13 -5.479 -4.832 3.510 103 HA ASN 13 HA ASN 13 -3.225 -6.570 3.096 104 1HB ASN 13 1HB ASN 13 -3.891 -4.290 5.031 105 2HB ASN 13 2HB ASN 13 -2.417 -5.290 5.264 106 1HD2 ASN 13 1HD2 ASN 13 -4.013 -3.090 2.866 107 2HD2 ASN 13 2HD2 ASN 13 -2.542 -2.731 2.014 108 H GLU 14 H GLU 14 -6.067 -7.044 4.787 109 HA GLU 14 HA GLU 14 -4.761 -8.915 6.655 110 1HB GLU 14 1HB GLU 14 -5.466 -6.710 7.637 111 2HB GLU 14 2HB GLU 14 -7.157 -7.106 7.225 112 1HG GLU 14 1HG GLU 14 -7.098 -9.049 8.799 113 2HG GLU 14 2HG GLU 14 -5.332 -8.815 9.052 114 H LEU 15 H LEU 15 -6.800 -8.687 4.043 115 HA LEU 15 HA LEU 15 -8.936 -10.222 4.856 116 1HB LEU 15 1HB LEU 15 -8.021 -8.709 2.641 117 2HB LEU 15 2HB LEU 15 -8.257 -10.317 1.951 118 HG LEU 15 HG LEU 15 -10.645 -10.257 2.457 119 1HD1 LEU 15 1HD1 LEU 15 -10.744 -9.144 4.671 120 2HD1 LEU 15 2HD1 LEU 15 -11.759 -8.268 3.478 121 3HD1 LEU 15 3HD1 LEU 15 -10.149 -7.605 3.944 122 1HD2 LEU 15 1HD2 LEU 15 -9.729 -9.103 0.444 123 2HD2 LEU 15 2HD2 LEU 15 -9.747 -7.542 1.345 124 3HD2 LEU 15 3HD2 LEU 15 -11.297 -8.412 1.009 125 HA PRO 16 HA PRO 16 -7.286 -14.159 4.847 126 1HB PRO 16 1HB PRO 16 -9.395 -15.812 4.254 127 2HB PRO 16 2HB PRO 16 -9.467 -14.701 5.691 128 1HG PRO 16 1HG PRO 16 -10.686 -14.251 2.898 129 2HG PRO 16 2HG PRO 16 -11.473 -14.006 4.516 130 1HD PRO 16 1HD PRO 16 -10.119 -12.065 2.930 131 2HD PRO 16 2HD PRO 16 -10.364 -11.872 4.743 132 H THR 17 H THR 17 -8.465 -12.928 1.837 133 HA THR 17 HA THR 17 -6.702 -14.833 0.449 134 HB THR 17 HB THR 17 -8.940 -13.045 -0.558 135 HG1 THR 17 HG1 THR 17 -9.828 -15.038 -1.150 136 1HG2 THR 17 1HG2 THR 17 -7.075 -13.223 -2.248 137 2HG2 THR 17 2HG2 THR 17 -8.496 -14.193 -2.772 138 3HG2 THR 17 3HG2 THR 17 -7.049 -15.020 -2.056 139 H LYS 18 H LYS 18 -5.108 -13.620 1.673 140 HA LYS 18 HA LYS 18 -4.656 -10.966 1.442 141 1HB LYS 18 1HB LYS 18 -2.523 -13.160 1.458 142 2HB LYS 18 2HB LYS 18 -2.258 -11.460 1.932 143 1HG LYS 18 1HG LYS 18 -3.859 -11.780 3.870 144 2HG LYS 18 2HG LYS 18 -4.066 -13.477 3.381 145 1HD LYS 18 1HD LYS 18 -1.450 -13.618 3.397 146 2HD LYS 18 2HD LYS 18 -1.477 -12.116 4.350 147 1HE LYS 18 1HE LYS 18 -2.836 -14.811 5.118 148 2HE LYS 18 2HE LYS 18 -1.233 -14.231 5.702 149 1HZ LYS 18 1HZ LYS 18 -2.396 -12.282 6.658 150 2HZ LYS 18 2HZ LYS 18 -2.820 -13.740 7.332 151 3HZ LYS 18 3HZ LYS 18 -3.892 -12.995 6.285 152 HA PRO 19 HA PRO 19 -4.397 -10.172 -2.462 153 1HB PRO 19 1HB PRO 19 -2.008 -8.309 -2.281 154 2HB PRO 19 2HB PRO 19 -3.680 -7.957 -2.861 155 1HG PRO 19 1HG PRO 19 -2.881 -7.143 -0.343 156 2HG PRO 19 2HG PRO 19 -4.515 -7.886 -0.549 157 1HD PRO 19 1HD PRO 19 -1.924 -9.295 0.319 158 2HD PRO 19 2HD PRO 19 -3.561 -9.307 1.111 159 H SER 20 H SER 20 -3.496 -10.437 -4.710 160 HA SER 20 HA SER 20 -1.421 -12.362 -4.802 161 1HB SER 20 1HB SER 20 -3.307 -12.269 -6.433 162 2HB SER 20 2HB SER 20 -2.641 -10.752 -7.106 163 HG SER 20 HG SER 20 -1.031 -11.870 -7.989 164 H THR 21 H THR 21 0.734 -12.129 -5.274 165 HA THR 21 HA THR 21 1.917 -9.933 -4.381 166 HB THR 21 HB THR 21 2.854 -12.163 -4.480 167 HG1 THR 21 HG1 THR 21 4.983 -11.383 -4.765 168 1HG2 THR 21 1HG2 THR 21 2.543 -12.613 -6.962 169 2HG2 THR 21 2HG2 THR 21 4.225 -12.864 -6.392 170 3HG2 THR 21 3HG2 THR 21 3.816 -11.384 -7.318 171 H ASP 22 H ASP 22 1.237 -10.423 -7.827 172 HA ASP 22 HA ASP 22 2.866 -8.323 -8.732 173 1HB ASP 22 1HB ASP 22 1.562 -8.769 -10.858 174 2HB ASP 22 2HB ASP 22 2.292 -10.243 -10.135 175 H GLU 23 H GLU 23 -0.559 -8.548 -7.865 176 HA GLU 23 HA GLU 23 -1.133 -5.829 -8.382 177 1HB GLU 23 1HB GLU 23 -2.457 -7.811 -6.479 178 2HB GLU 23 2HB GLU 23 -3.161 -6.255 -6.997 179 1HG GLU 23 1HG GLU 23 -2.502 -8.535 -8.982 180 2HG GLU 23 2HG GLU 23 -4.029 -8.425 -8.059 181 H LEU 24 H LEU 24 -0.245 -7.661 -5.385 182 HA LEU 24 HA LEU 24 -0.396 -5.774 -3.556 183 1HB LEU 24 1HB LEU 24 0.167 -8.288 -3.591 184 2HB LEU 24 2HB LEU 24 1.881 -7.810 -3.666 185 HG LEU 24 HG LEU 24 -0.069 -6.837 -1.478 186 1HD1 LEU 24 1HD1 LEU 24 -0.141 -9.320 -1.758 187 2HD1 LEU 24 2HD1 LEU 24 0.586 -8.844 -0.163 188 3HD1 LEU 24 3HD1 LEU 24 1.637 -9.409 -1.527 189 1HD2 LEU 24 1HD2 LEU 24 2.172 -5.659 -1.470 190 2HD2 LEU 24 2HD2 LEU 24 2.987 -7.280 -1.477 191 3HD2 LEU 24 3HD2 LEU 24 2.009 -6.759 -0.053 192 H LEU 25 H LEU 25 2.439 -6.149 -5.750 193 HA LEU 25 HA LEU 25 4.115 -4.270 -4.723 194 1HB LEU 25 1HB LEU 25 3.525 -5.672 -7.214 195 2HB LEU 25 2HB LEU 25 3.933 -3.991 -7.633 196 HG LEU 25 HG LEU 25 5.720 -5.686 -5.818 197 1HD1 LEU 25 1HD1 LEU 25 5.329 -6.786 -8.027 198 2HD1 LEU 25 2HD1 LEU 25 7.029 -6.183 -7.886 199 3HD1 LEU 25 3HD1 LEU 25 5.812 -5.277 -8.877 200 1HD2 LEU 25 1HD2 LEU 25 6.051 -3.203 -5.669 201 2HD2 LEU 25 2HD2 LEU 25 6.076 -3.081 -7.459 202 3HD2 LEU 25 3HD2 LEU 25 7.422 -3.916 -6.612 203 H GLU 26 H GLU 26 1.548 -3.687 -7.121 204 HA GLU 26 HA GLU 26 1.991 -0.914 -7.222 205 1HB GLU 26 1HB GLU 26 -0.515 -2.507 -8.016 206 2HB GLU 26 2HB GLU 26 -0.089 -0.867 -8.573 207 1HG GLU 26 1HG GLU 26 1.349 -3.516 -9.236 208 2HG GLU 26 2HG GLU 26 0.356 -2.501 -10.329 209 H LEU 27 H LEU 27 -0.308 -2.989 -5.556 210 HA LEU 27 HA LEU 27 -1.841 -0.954 -4.401 211 1HB LEU 27 1HB LEU 27 -1.498 -3.940 -4.069 212 2HB LEU 27 2HB LEU 27 -2.436 -3.058 -2.837 213 HG LEU 27 HG LEU 27 -3.858 -4.080 -4.504 214 1HD1 LEU 27 1HD1 LEU 27 -5.358 -2.180 -4.847 215 2HD1 LEU 27 2HD1 LEU 27 -4.013 -1.006 -4.612 216 3HD1 LEU 27 3HD1 LEU 27 -4.561 -2.048 -3.238 217 1HD2 LEU 27 1HD2 LEU 27 -2.636 -2.172 -6.595 218 2HD2 LEU 27 2HD2 LEU 27 -4.159 -3.106 -6.795 219 3HD2 LEU 27 3HD2 LEU 27 -2.602 -3.970 -6.611 220 H TYR 28 H TYR 28 1.113 -2.565 -3.225 221 HA TYR 28 HA TYR 28 1.111 -1.380 -0.690 222 1HB TYR 28 1HB TYR 28 2.666 -3.194 -1.173 223 2HB TYR 28 2HB TYR 28 3.379 -2.275 -2.541 224 HD1 TYR 28 HD1 TYR 28 4.747 -0.266 -2.094 225 HD2 TYR 28 HD2 TYR 28 3.506 -2.882 1.026 226 HE1 TYR 28 HE1 TYR 28 6.441 0.661 -0.678 227 HE2 TYR 28 HE2 TYR 28 5.367 -2.104 2.397 228 HH TYR 28 HH TYR 28 7.456 -1.006 2.225 229 H ALA 29 H ALA 29 2.629 -0.333 -3.816 230 HA ALA 29 HA ALA 29 3.674 1.972 -2.871 231 1HB ALA 29 1HB ALA 29 3.699 2.721 -5.263 232 2HB ALA 29 2HB ALA 29 2.494 1.435 -5.657 233 3HB ALA 29 3HB ALA 29 4.145 0.987 -5.110 234 H LEU 30 H LEU 30 0.372 1.623 -4.237 235 HA LEU 30 HA LEU 30 -0.348 4.272 -3.759 236 1HB LEU 30 1HB LEU 30 -1.801 1.629 -4.222 237 2HB LEU 30 2HB LEU 30 -2.749 3.005 -3.610 238 HG LEU 30 HG LEU 30 -1.450 4.280 -5.668 239 1HD1 LEU 30 1HD1 LEU 30 -0.532 2.130 -6.654 240 2HD1 LEU 30 2HD1 LEU 30 -1.861 2.790 -7.693 241 3HD1 LEU 30 3HD1 LEU 30 -2.197 1.412 -6.578 242 1HD2 LEU 30 1HD2 LEU 30 -3.626 4.369 -6.629 243 2HD2 LEU 30 2HD2 LEU 30 -3.790 4.288 -4.826 244 3HD2 LEU 30 3HD2 LEU 30 -4.130 2.812 -5.825 245 H TYR 31 H TYR 31 -0.857 1.374 -1.694 246 HA TYR 31 HA TYR 31 -2.434 2.513 0.230 247 1HB TYR 31 1HB TYR 31 -2.235 0.178 0.192 248 2HB TYR 31 2HB TYR 31 -0.444 0.240 0.383 249 HD1 TYR 31 HD1 TYR 31 0.256 -0.321 2.428 250 HD2 TYR 31 HD2 TYR 31 -3.352 1.898 2.164 251 HE1 TYR 31 HE1 TYR 31 0.155 -0.180 4.868 252 HE2 TYR 31 HE2 TYR 31 -3.579 1.879 4.552 253 HH TYR 31 HH TYR 31 -2.336 1.791 6.430 254 H LYS 32 H LYS 32 1.137 2.127 0.134 255 HA LYS 32 HA LYS 32 1.633 3.669 2.411 256 1HB LYS 32 1HB LYS 32 3.409 2.921 0.044 257 2HB LYS 32 2HB LYS 32 4.008 3.586 1.593 258 1HG LYS 32 1HG LYS 32 2.640 0.870 1.120 259 2HG LYS 32 2HG LYS 32 4.347 1.223 1.481 260 1HD LYS 32 1HD LYS 32 1.956 1.487 3.387 261 2HD LYS 32 2HD LYS 32 3.299 0.304 3.412 262 1HE LYS 32 1HE LYS 32 4.896 2.335 3.686 263 2HE LYS 32 2HE LYS 32 3.400 3.328 4.005 264 1HZ LYS 32 1HZ LYS 32 2.909 1.620 5.781 265 2HZ LYS 32 2HZ LYS 32 4.205 2.644 6.075 266 3HZ LYS 32 3HZ LYS 32 4.513 1.059 5.569 267 H GLN 33 H GLN 33 1.269 4.683 -1.003 268 HA GLN 33 HA GLN 33 2.272 7.223 -0.771 269 1HB GLN 33 1HB GLN 33 0.050 6.012 -2.436 270 2HB GLN 33 2HB GLN 33 0.264 7.775 -2.476 271 1HG GLN 33 1HG GLN 33 2.268 7.752 -3.553 272 2HG GLN 33 2HG GLN 33 2.664 6.052 -3.052 273 1HE2 GLN 33 1HE2 GLN 33 2.424 4.598 -4.726 274 2HE2 GLN 33 2HE2 GLN 33 1.412 4.827 -6.137 275 H ALA 34 H ALA 34 -1.157 6.279 -0.314 276 HA ALA 34 HA ALA 34 -1.511 8.987 0.808 277 1HB ALA 34 1HB ALA 34 -3.077 8.754 -0.882 278 2HB ALA 34 2HB ALA 34 -3.967 8.652 0.664 279 3HB ALA 34 3HB ALA 34 -3.643 7.153 -0.288 280 H THR 35 H THR 35 -0.865 5.892 2.166 281 HA THR 35 HA THR 35 -2.140 6.525 4.563 282 HB THR 35 HB THR 35 0.316 4.868 4.039 283 HG1 THR 35 HG1 THR 35 -1.504 3.913 3.377 284 1HG2 THR 35 1HG2 THR 35 0.444 5.722 6.383 285 2HG2 THR 35 2HG2 THR 35 -0.229 4.046 6.400 286 3HG2 THR 35 3HG2 THR 35 -1.342 5.455 6.588 287 H VAL 36 H VAL 36 1.366 7.037 3.587 288 HA VAL 36 HA VAL 36 1.554 8.914 5.786 289 HB VAL 36 HB VAL 36 4.005 8.957 5.094 290 1HG1 VAL 36 1HG1 VAL 36 3.052 7.997 7.195 291 2HG1 VAL 36 2HG1 VAL 36 4.368 6.965 6.527 292 3HG1 VAL 36 3HG1 VAL 36 2.652 6.470 6.316 293 1HG2 VAL 36 1HG2 VAL 36 3.186 6.216 3.882 294 2HG2 VAL 36 2HG2 VAL 36 4.813 6.930 3.994 295 3HG2 VAL 36 3HG2 VAL 36 3.617 7.654 2.878 296 H GLY 37 H GLY 37 1.825 8.957 2.209 297 1HA GLY 37 1HA GLY 37 1.329 10.795 1.022 298 2HA GLY 37 2HA GLY 37 1.850 11.880 2.364 299 H ASP 38 H ASP 38 4.330 10.199 2.721 300 HA ASP 38 HA ASP 38 5.802 11.041 0.345 301 1HB ASP 38 1HB ASP 38 6.513 11.611 3.299 302 2HB ASP 38 2HB ASP 38 7.646 11.842 1.919 303 H ASN 39 H ASN 39 7.880 9.881 0.169 304 HA ASN 39 HA ASN 39 8.251 7.418 1.218 305 1HB ASN 39 1HB ASN 39 10.696 7.720 0.941 306 2HB ASN 39 2HB ASN 39 9.710 8.132 -0.490 307 1HD2 ASN 39 1HD2 ASN 39 12.265 9.295 1.533 308 2HD2 ASN 39 2HD2 ASN 39 12.278 10.886 0.829 309 H ASP 40 H ASP 40 7.880 6.823 3.177 310 HA ASP 40 HA ASP 40 8.819 8.359 5.424 311 1HB ASP 40 1HB ASP 40 6.516 7.512 5.293 312 2HB ASP 40 2HB ASP 40 7.105 5.828 5.122 313 H LYS 41 H LYS 41 8.864 4.838 5.057 314 HA LYS 41 HA LYS 41 11.164 4.660 6.744 315 1HB LYS 41 1HB LYS 41 9.531 2.547 5.228 316 2HB LYS 41 2HB LYS 41 10.763 2.181 6.449 317 1HG LYS 41 1HG LYS 41 8.128 3.678 7.033 318 2HG LYS 41 2HG LYS 41 8.438 1.936 7.214 319 1HD LYS 41 1HD LYS 41 8.937 2.438 9.359 320 2HD LYS 41 2HD LYS 41 10.538 2.776 8.666 321 1HE LYS 41 1HE LYS 41 10.082 4.648 10.088 322 2HE LYS 41 2HE LYS 41 9.723 5.259 8.410 323 1HZ LYS 41 1HZ LYS 41 8.058 5.672 10.316 324 2HZ LYS 41 2HZ LYS 41 7.569 4.075 10.074 325 3HZ LYS 41 3HZ LYS 41 7.485 5.196 8.812 326 H GLU 42 H GLU 42 12.788 5.681 5.308 327 HA GLU 42 HA GLU 42 13.507 4.160 2.965 328 1HB GLU 42 1HB GLU 42 13.600 6.627 3.081 329 2HB GLU 42 2HB GLU 42 14.943 6.497 4.257 330 1HG GLU 42 1HG GLU 42 16.271 5.181 2.488 331 2HG GLU 42 2HG GLU 42 14.942 5.483 1.320 332 H LYS 43 H LYS 43 13.462 2.344 4.492 333 HA LYS 43 HA LYS 43 16.132 1.358 4.583 334 1HB LYS 43 1HB LYS 43 15.718 2.473 6.888 335 2HB LYS 43 2HB LYS 43 14.506 1.216 7.183 336 1HG LYS 43 1HG LYS 43 16.491 -0.489 6.773 337 2HG LYS 43 2HG LYS 43 17.539 0.961 6.780 338 1HD LYS 43 1HD LYS 43 16.211 1.492 9.054 339 2HD LYS 43 2HD LYS 43 15.911 -0.271 9.045 340 1HE LYS 43 1HE LYS 43 18.465 -0.610 8.945 341 2HE LYS 43 2HE LYS 43 18.649 1.185 9.035 342 1HZ LYS 43 1HZ LYS 43 17.592 -0.672 11.097 343 2HZ LYS 43 2HZ LYS 43 17.206 0.940 11.151 344 3HZ LYS 43 3HZ LYS 43 18.829 0.460 11.224 345 HA PRO 44 HA PRO 44 13.127 -1.973 3.810 346 1HB PRO 44 1HB PRO 44 13.538 -2.477 1.181 347 2HB PRO 44 2HB PRO 44 12.411 -1.166 1.721 348 1HG PRO 44 1HG PRO 44 15.354 -0.822 0.891 349 2HG PRO 44 2HG PRO 44 13.914 0.057 0.222 350 1HD PRO 44 1HD PRO 44 15.458 1.061 2.323 351 2HD PRO 44 2HD PRO 44 13.647 1.321 2.236 352 H GLY 45 H GLY 45 14.268 -4.212 3.735 353 1HA GLY 45 1HA GLY 45 16.881 -3.760 4.725 354 2HA GLY 45 2HA GLY 45 16.032 -5.311 4.509 355 H ILE 46 H ILE 46 18.273 -5.997 4.086 356 HA ILE 46 HA ILE 46 19.409 -4.880 1.610 357 HB ILE 46 HB ILE 46 21.540 -5.535 2.338 358 1HG1 ILE 46 1HG1 ILE 46 20.221 -6.596 4.899 359 2HG1 ILE 46 2HG1 ILE 46 21.033 -7.582 3.641 360 1HG2 ILE 46 1HG2 ILE 46 21.704 -3.853 4.135 361 2HG2 ILE 46 2HG2 ILE 46 19.981 -4.085 4.581 362 3HG2 ILE 46 3HG2 ILE 46 20.422 -3.331 2.996 363 1HD1 ILE 46 1HD1 ILE 46 22.589 -7.282 5.483 364 2HD1 ILE 46 2HD1 ILE 46 22.447 -5.488 5.394 365 3HD1 ILE 46 3HD1 ILE 46 23.196 -6.403 4.037 366 H PHE 47 H PHE 47 19.017 -7.972 3.285 367 HA PHE 47 HA PHE 47 19.104 -9.481 0.837 368 1HB PHE 47 1HB PHE 47 18.494 -11.379 2.520 369 2HB PHE 47 2HB PHE 47 20.095 -10.585 2.638 370 HD1 PHE 47 HD1 PHE 47 16.631 -10.261 4.089 371 HD2 PHE 47 HD2 PHE 47 20.824 -9.809 4.609 372 HE1 PHE 47 HE1 PHE 47 16.265 -9.515 6.381 373 HE2 PHE 47 HE2 PHE 47 20.464 -9.069 6.910 374 HZ PHE 47 HZ PHE 47 18.182 -8.871 7.788 375 H ASN 48 H ASN 48 16.851 -7.479 2.364 376 HA ASN 48 HA ASN 48 14.585 -9.048 1.875 377 1HB ASN 48 1HB ASN 48 14.943 -6.161 2.642 378 2HB ASN 48 2HB ASN 48 13.315 -6.858 2.304 379 1HD2 ASN 48 1HD2 ASN 48 12.592 -8.801 3.576 380 2HD2 ASN 48 2HD2 ASN 48 13.274 -9.067 5.150 381 H MET 49 H MET 49 15.259 -9.519 -0.388 382 HA MET 49 HA MET 49 15.281 -7.721 -2.446 383 1HB MET 49 1HB MET 49 14.942 -9.689 -3.903 384 2HB MET 49 2HB MET 49 16.152 -9.970 -2.627 385 1HG MET 49 1HG MET 49 14.441 -11.209 -1.265 386 2HG MET 49 2HG MET 49 13.245 -10.962 -2.572 387 1HE MET 49 1HE MET 49 13.878 -13.585 -1.212 388 2HE MET 49 2HE MET 49 13.861 -14.715 -2.604 389 3HE MET 49 3HE MET 49 12.686 -13.359 -2.540 390 H LYS 50 H LYS 50 12.486 -9.218 -0.909 391 HA LYS 50 HA LYS 50 10.600 -8.408 -2.833 392 1HB LYS 50 1HB LYS 50 10.375 -9.151 0.116 393 2HB LYS 50 2HB LYS 50 8.954 -8.808 -0.926 394 1HG LYS 50 1HG LYS 50 9.435 -10.692 -2.373 395 2HG LYS 50 2HG LYS 50 11.038 -10.944 -1.637 396 1HD LYS 50 1HD LYS 50 9.475 -12.647 -0.910 397 2HD LYS 50 2HD LYS 50 10.086 -11.685 0.470 398 1HE LYS 50 1HE LYS 50 7.949 -10.485 0.690 399 2HE LYS 50 2HE LYS 50 7.335 -11.205 -0.851 400 1HZ LYS 50 1HZ LYS 50 8.113 -12.865 1.507 401 2HZ LYS 50 2HZ LYS 50 7.229 -13.322 0.142 402 3HZ LYS 50 3HZ LYS 50 6.560 -12.266 1.255 403 H ASP 51 H ASP 51 11.206 -7.013 0.453 404 HA ASP 51 HA ASP 51 9.680 -4.789 0.061 405 1HB ASP 51 1HB ASP 51 12.097 -5.289 1.889 406 2HB ASP 51 2HB ASP 51 11.095 -3.800 1.963 407 H ARG 52 H ARG 52 13.069 -5.202 -0.895 408 HA ARG 52 HA ARG 52 13.612 -2.632 -1.615 409 1HB ARG 52 1HB ARG 52 14.380 -5.335 -2.741 410 2HB ARG 52 2HB ARG 52 14.990 -3.854 -3.539 411 1HG ARG 52 1HG ARG 52 15.322 -4.302 -0.531 412 2HG ARG 52 2HG ARG 52 16.479 -4.961 -1.718 413 1HD ARG 52 1HD ARG 52 17.132 -2.798 -2.538 414 2HD ARG 52 2HD ARG 52 15.778 -1.952 -1.673 415 HE ARG 52 HE ARG 52 17.113 -3.296 0.374 416 1HH1 ARG 52 1HH1 ARG 52 18.347 -0.988 -2.101 417 2HH1 ARG 52 2HH1 ARG 52 19.652 -0.494 -1.076 418 1HH2 ARG 52 1HH2 ARG 52 18.490 -2.291 1.750 419 2HH2 ARG 52 2HH2 ARG 52 19.620 -1.089 1.194 420 H TYR 53 H TYR 53 11.808 -4.958 -3.755 421 HA TYR 53 HA TYR 53 11.558 -2.830 -5.647 422 1HB TYR 53 1HB TYR 53 10.098 -4.294 -6.970 423 2HB TYR 53 2HB TYR 53 11.770 -4.826 -6.702 424 HD1 TYR 53 HD1 TYR 53 8.309 -5.366 -5.329 425 HD2 TYR 53 HD2 TYR 53 12.155 -6.965 -6.156 426 HE1 TYR 53 HE1 TYR 53 7.478 -7.620 -4.858 427 HE2 TYR 53 HE2 TYR 53 11.352 -9.196 -5.639 428 HH TYR 53 HH TYR 53 9.591 -10.453 -5.125 429 H LYS 54 H LYS 54 9.426 -4.125 -3.128 430 HA LYS 54 HA LYS 54 7.167 -2.682 -3.719 431 1HB LYS 54 1HB LYS 54 8.385 -3.087 -0.936 432 2HB LYS 54 2HB LYS 54 6.677 -2.729 -1.287 433 1HG LYS 54 1HG LYS 54 8.123 -5.313 -2.106 434 2HG LYS 54 2HG LYS 54 7.229 -5.050 -0.577 435 1HD LYS 54 1HD LYS 54 5.125 -4.662 -1.883 436 2HD LYS 54 2HD LYS 54 6.050 -4.875 -3.406 437 1HE LYS 54 1HE LYS 54 4.796 -6.956 -2.804 438 2HE LYS 54 2HE LYS 54 6.579 -7.239 -2.818 439 1HZ LYS 54 1HZ LYS 54 6.620 -7.179 -0.444 440 2HZ LYS 54 2HZ LYS 54 5.348 -8.189 -0.868 441 3HZ LYS 54 3HZ LYS 54 5.077 -6.612 -0.319 442 H TRP 55 H TRP 55 9.983 -1.644 -1.766 443 HA TRP 55 HA TRP 55 8.888 0.893 -1.323 444 1HB TRP 55 1HB TRP 55 10.556 -0.534 0.074 445 2HB TRP 55 2HB TRP 55 11.829 0.210 -0.941 446 HD1 TRP 55 HD1 TRP 55 9.330 0.985 1.951 447 HE1 TRP 55 HE1 TRP 55 9.339 3.488 2.453 448 HE3 TRP 55 HE3 TRP 55 12.827 2.458 -1.432 449 HZ2 TRP 55 HZ2 TRP 55 10.983 5.686 1.863 450 HZ3 TRP 55 HZ3 TRP 55 13.674 4.742 -1.308 451 HH2 TRP 55 HH2 TRP 55 12.766 6.352 0.278 452 H GLU 56 H GLU 56 11.061 -0.308 -3.882 453 HA GLU 56 HA GLU 56 11.882 2.285 -4.643 454 1HB GLU 56 1HB GLU 56 13.117 0.124 -5.195 455 2HB GLU 56 2HB GLU 56 11.851 -0.205 -6.406 456 1HG GLU 56 1HG GLU 56 12.422 2.064 -7.488 457 2HG GLU 56 2HG GLU 56 13.730 2.254 -6.277 458 H ALA 57 H ALA 57 9.222 0.118 -5.593 459 HA ALA 57 HA ALA 57 8.334 1.699 -7.715 460 1HB ALA 57 1HB ALA 57 7.863 -0.749 -7.466 461 2HB ALA 57 2HB ALA 57 6.327 0.178 -7.576 462 3HB ALA 57 3HB ALA 57 6.917 -0.417 -5.975 463 H TRP 58 H TRP 58 8.115 2.066 -4.336 464 HA TRP 58 HA TRP 58 5.708 3.652 -4.405 465 1HB TRP 58 1HB TRP 58 5.974 2.077 -2.517 466 2HB TRP 58 2HB TRP 58 7.560 2.805 -2.102 467 HD1 TRP 58 HD1 TRP 58 4.494 5.047 -2.828 468 HE1 TRP 58 HE1 TRP 58 4.108 6.451 -0.635 469 HE3 TRP 58 HE3 TRP 58 7.455 2.408 0.302 470 HZ2 TRP 58 HZ2 TRP 58 5.127 6.495 1.876 471 HZ3 TRP 58 HZ3 TRP 58 7.415 2.946 2.680 472 HH2 TRP 58 HH2 TRP 58 6.349 4.930 3.502 473 H GLU 59 H GLU 59 9.210 3.925 -3.703 474 HA GLU 59 HA GLU 59 9.427 6.579 -3.292 475 1HB GLU 59 1HB GLU 59 11.128 4.809 -2.880 476 2HB GLU 59 2HB GLU 59 11.427 4.726 -4.630 477 1HG GLU 59 1HG GLU 59 12.050 7.297 -4.447 478 2HG GLU 59 2HG GLU 59 11.995 7.054 -2.672 479 H ASN 60 H ASN 60 8.692 5.038 -6.324 480 HA ASN 60 HA ASN 60 9.564 7.156 -7.951 481 1HB ASN 60 1HB ASN 60 8.756 4.666 -8.460 482 2HB ASN 60 2HB ASN 60 7.146 5.419 -8.669 483 1HD2 ASN 60 1HD2 ASN 60 6.900 6.924 -10.531 484 2HD2 ASN 60 2HD2 ASN 60 8.113 6.970 -11.776 485 H LEU 61 H LEU 61 6.818 6.922 -5.823 486 HA LEU 61 HA LEU 61 5.688 9.326 -7.069 487 1HB LEU 61 1HB LEU 61 3.880 7.463 -5.477 488 2HB LEU 61 2HB LEU 61 3.503 8.739 -6.613 489 HG LEU 61 HG LEU 61 4.832 7.168 -8.366 490 1HD1 LEU 61 1HD1 LEU 61 4.125 5.451 -5.944 491 2HD1 LEU 61 2HD1 LEU 61 5.620 5.434 -6.911 492 3HD1 LEU 61 3HD1 LEU 61 4.111 4.712 -7.615 493 1HD2 LEU 61 1HD2 LEU 61 2.664 6.104 -8.947 494 2HD2 LEU 61 2HD2 LEU 61 2.487 7.868 -8.628 495 3HD2 LEU 61 3HD2 LEU 61 1.952 6.677 -7.391 496 H LYS 62 H LYS 62 7.637 8.655 -4.800 497 HA LYS 62 HA LYS 62 7.130 8.814 -2.389 498 1HB LYS 62 1HB LYS 62 9.393 9.954 -2.173 499 2HB LYS 62 2HB LYS 62 9.282 8.588 -3.267 500 1HG LYS 62 1HG LYS 62 10.663 10.211 -4.312 501 2HG LYS 62 2HG LYS 62 9.156 10.043 -5.241 502 1HD LYS 62 1HD LYS 62 9.662 12.230 -5.365 503 2HD LYS 62 2HD LYS 62 8.298 12.176 -4.243 504 1HE LYS 62 1HE LYS 62 11.311 12.404 -3.427 505 2HE LYS 62 2HE LYS 62 10.261 13.834 -3.721 506 1HZ LYS 62 1HZ LYS 62 9.796 11.807 -1.557 507 2HZ LYS 62 2HZ LYS 62 8.886 13.196 -1.849 508 3HZ LYS 62 3HZ LYS 62 10.475 13.317 -1.396 509 H GLY 63 H GLY 63 5.783 11.471 -3.899 510 1HA GLY 63 1HA GLY 63 5.199 12.534 -1.332 511 2HA GLY 63 2HA GLY 63 6.353 13.582 -2.244 512 H LYS 64 H LYS 64 4.285 11.917 -4.433 513 HA LYS 64 HA LYS 64 2.987 14.552 -4.786 514 1HB LYS 64 1HB LYS 64 4.629 13.619 -6.567 515 2HB LYS 64 2HB LYS 64 3.395 12.348 -6.883 516 1HG LYS 64 1HG LYS 64 1.699 14.163 -7.320 517 2HG LYS 64 2HG LYS 64 3.001 15.377 -7.049 518 1HD LYS 64 1HD LYS 64 4.303 14.394 -8.953 519 2HD LYS 64 2HD LYS 64 2.999 13.190 -9.225 520 1HE LYS 64 1HE LYS 64 1.379 15.016 -9.786 521 2HE LYS 64 2HE LYS 64 2.651 16.256 -9.455 522 1HZ LYS 64 1HZ LYS 64 3.964 15.365 -11.217 523 2HZ LYS 64 2HZ LYS 64 2.406 15.702 -11.804 524 3HZ LYS 64 3HZ LYS 64 2.869 14.101 -11.509 525 H SER 65 H SER 65 2.620 11.072 -5.303 526 HA SER 65 HA SER 65 -0.101 11.412 -5.928 527 1HB SER 65 1HB SER 65 1.688 8.954 -5.797 528 2HB SER 65 2HB SER 65 0.050 8.947 -6.493 529 HG SER 65 HG SER 65 0.682 10.444 -7.998 530 H GLN 66 H GLN 66 0.469 11.786 -2.859 531 HA GLN 66 HA GLN 66 -1.278 10.065 -1.652 532 1HB GLN 66 1HB GLN 66 0.165 12.238 -0.997 533 2HB GLN 66 2HB GLN 66 -1.286 13.142 -1.512 534 1HG GLN 66 1HG GLN 66 -2.621 11.648 0.154 535 2HG GLN 66 2HG GLN 66 -0.994 10.981 0.633 536 1HE2 GLN 66 1HE2 GLN 66 -0.325 11.917 2.529 537 2HE2 GLN 66 2HE2 GLN 66 -0.527 13.618 2.933 538 H GLU 67 H GLU 67 -1.562 12.478 -4.073 539 HA GLU 67 HA GLU 67 -4.333 12.965 -4.058 540 1HB GLU 67 1HB GLU 67 -2.013 13.611 -5.981 541 2HB GLU 67 2HB GLU 67 -3.699 14.182 -6.212 542 1HG GLU 67 1HG GLU 67 -3.517 15.140 -3.786 543 2HG GLU 67 2HG GLU 67 -1.743 14.907 -3.938 544 H ASP 68 H ASP 68 -2.122 11.124 -6.273 545 HA ASP 68 HA ASP 68 -4.363 10.153 -7.708 546 1HB ASP 68 1HB ASP 68 -1.488 9.004 -7.654 547 2HB ASP 68 2HB ASP 68 -2.729 8.707 -8.911 548 H ALA 69 H ALA 69 -2.223 8.628 -5.224 549 HA ALA 69 HA ALA 69 -3.061 6.229 -5.102 550 1HB ALA 69 1HB ALA 69 -2.867 6.317 -2.580 551 2HB ALA 69 2HB ALA 69 -2.725 8.126 -2.769 552 3HB ALA 69 3HB ALA 69 -1.530 7.033 -3.541 553 H GLU 70 H GLU 70 -4.873 8.650 -3.117 554 HA GLU 70 HA GLU 70 -7.034 7.148 -2.477 555 1HB GLU 70 1HB GLU 70 -8.217 9.131 -2.014 556 2HB GLU 70 2HB GLU 70 -6.522 9.299 -1.516 557 1HG GLU 70 1HG GLU 70 -6.078 11.008 -3.015 558 2HG GLU 70 2HG GLU 70 -7.004 10.220 -4.320 559 H LYS 71 H LYS 71 -6.634 8.428 -5.740 560 HA LYS 71 HA LYS 71 -9.438 7.982 -6.365 561 1HB LYS 71 1HB LYS 71 -7.157 8.941 -8.192 562 2HB LYS 71 2HB LYS 71 -8.908 8.970 -8.551 563 1HG LYS 71 1HG LYS 71 -7.346 10.749 -6.615 564 2HG LYS 71 2HG LYS 71 -8.106 11.196 -8.168 565 1HD LYS 71 1HD LYS 71 -10.391 10.607 -7.105 566 2HD LYS 71 2HD LYS 71 -9.487 10.361 -5.575 567 1HE LYS 71 1HE LYS 71 -8.578 12.842 -6.047 568 2HE LYS 71 2HE LYS 71 -10.021 12.975 -7.124 569 1HZ LYS 71 1HZ LYS 71 -10.474 13.714 -4.837 570 2HZ LYS 71 2HZ LYS 71 -9.995 12.209 -4.251 571 3HZ LYS 71 3HZ LYS 71 -11.383 12.311 -5.183 572 H GLU 72 H GLU 72 -6.216 6.649 -7.172 573 HA GLU 72 HA GLU 72 -7.606 4.796 -8.919 574 1HB GLU 72 1HB GLU 72 -4.646 4.955 -8.316 575 2HB GLU 72 2HB GLU 72 -5.485 3.948 -9.546 576 1HG GLU 72 1HG GLU 72 -6.509 6.300 -10.334 577 2HG GLU 72 2HG GLU 72 -5.106 6.993 -9.455 578 H TYR 73 H TYR 73 -6.571 4.838 -5.561 579 HA TYR 73 HA TYR 73 -6.222 2.121 -5.337 580 1HB TYR 73 1HB TYR 73 -5.546 3.934 -3.655 581 2HB TYR 73 2HB TYR 73 -7.249 3.951 -3.093 582 HD1 TYR 73 HD1 TYR 73 -4.400 1.650 -3.851 583 HD2 TYR 73 HD2 TYR 73 -7.714 2.493 -1.329 584 HE1 TYR 73 HE1 TYR 73 -3.598 -0.031 -2.262 585 HE2 TYR 73 HE2 TYR 73 -6.967 0.760 0.219 586 HH TYR 73 HH TYR 73 -4.023 -1.193 -0.369 587 H ILE 74 H ILE 74 -9.206 4.031 -4.499 588 HA ILE 74 HA ILE 74 -10.945 2.141 -3.949 589 HB ILE 74 HB ILE 74 -11.464 4.390 -3.962 590 1HG1 ILE 74 1HG1 ILE 74 -13.175 3.071 -6.180 591 2HG1 ILE 74 2HG1 ILE 74 -13.373 2.773 -4.430 592 1HG2 ILE 74 1HG2 ILE 74 -10.030 5.200 -5.796 593 2HG2 ILE 74 2HG2 ILE 74 -11.683 5.846 -5.894 594 3HG2 ILE 74 3HG2 ILE 74 -11.199 4.538 -7.010 595 1HD1 ILE 74 1HD1 ILE 74 -15.061 4.388 -5.154 596 2HD1 ILE 74 2HD1 ILE 74 -13.839 5.414 -5.970 597 3HD1 ILE 74 3HD1 ILE 74 -13.860 5.307 -4.175 598 H ALA 75 H ALA 75 -10.144 2.893 -7.355 599 HA ALA 75 HA ALA 75 -11.843 0.772 -8.205 600 1HB ALA 75 1HB ALA 75 -10.975 1.397 -10.504 601 2HB ALA 75 2HB ALA 75 -9.708 2.421 -9.727 602 3HB ALA 75 3HB ALA 75 -11.449 2.860 -9.569 603 H LEU 76 H LEU 76 -8.486 0.727 -7.298 604 HA LEU 76 HA LEU 76 -8.038 -1.817 -8.598 605 1HB LEU 76 1HB LEU 76 -6.662 -0.453 -6.221 606 2HB LEU 76 2HB LEU 76 -6.087 -1.961 -7.002 607 HG LEU 76 HG LEU 76 -6.358 0.697 -8.507 608 1HD1 LEU 76 1HD1 LEU 76 -4.010 1.119 -7.974 609 2HD1 LEU 76 2HD1 LEU 76 -3.856 -0.482 -7.144 610 3HD1 LEU 76 3HD1 LEU 76 -4.886 0.793 -6.414 611 1HD2 LEU 76 1HD2 LEU 76 -4.705 -0.352 -10.062 612 2HD2 LEU 76 2HD2 LEU 76 -6.207 -1.342 -9.966 613 3HD2 LEU 76 3HD2 LEU 76 -4.724 -1.860 -9.077 614 H VAL 77 H VAL 77 -8.791 -0.675 -5.284 615 HA VAL 77 HA VAL 77 -8.618 -3.228 -4.131 616 HB VAL 77 HB VAL 77 -9.358 -0.487 -3.173 617 1HG1 VAL 77 1HG1 VAL 77 -10.771 -1.938 -1.776 618 2HG1 VAL 77 2HG1 VAL 77 -9.249 -1.611 -0.855 619 3HG1 VAL 77 3HG1 VAL 77 -9.482 -3.195 -1.682 620 1HG2 VAL 77 1HG2 VAL 77 -7.129 -2.606 -2.813 621 2HG2 VAL 77 2HG2 VAL 77 -7.222 -1.102 -1.851 622 3HG2 VAL 77 3HG2 VAL 77 -6.960 -1.001 -3.642 623 H ASP 78 H ASP 78 -11.409 -1.428 -5.537 624 HA ASP 78 HA ASP 78 -13.229 -3.155 -4.361 625 1HB ASP 78 1HB ASP 78 -13.703 -0.988 -5.588 626 2HB ASP 78 2HB ASP 78 -13.398 -1.878 -7.140 627 H GLN 79 H GLN 79 -11.184 -3.520 -7.240 628 HA GLN 79 HA GLN 79 -12.398 -6.009 -7.978 629 1HB GLN 79 1HB GLN 79 -9.808 -4.790 -8.990 630 2HB GLN 79 2HB GLN 79 -10.784 -6.062 -9.779 631 1HG GLN 79 1HG GLN 79 -11.589 -3.107 -9.373 632 2HG GLN 79 2HG GLN 79 -10.936 -3.843 -10.864 633 1HE2 GLN 79 1HE2 GLN 79 -12.944 -2.636 -11.530 634 2HE2 GLN 79 2HE2 GLN 79 -14.430 -3.545 -11.603 635 H LEU 80 H LEU 80 -9.910 -5.060 -5.761 636 HA LEU 80 HA LEU 80 -8.709 -7.684 -5.508 637 1HB LEU 80 1HB LEU 80 -8.698 -5.178 -3.792 638 2HB LEU 80 2HB LEU 80 -8.230 -6.756 -3.140 639 HG LEU 80 HG LEU 80 -6.581 -7.021 -5.057 640 1HD1 LEU 80 1HD1 LEU 80 -6.823 -3.960 -5.236 641 2HD1 LEU 80 2HD1 LEU 80 -7.342 -5.120 -6.518 642 3HD1 LEU 80 3HD1 LEU 80 -5.603 -5.005 -6.051 643 1HD2 LEU 80 1HD2 LEU 80 -6.032 -6.597 -2.636 644 2HD2 LEU 80 2HD2 LEU 80 -6.098 -4.821 -2.945 645 3HD2 LEU 80 3HD2 LEU 80 -4.844 -5.838 -3.755 646 H ILE 81 H ILE 81 -11.080 -5.769 -3.590 647 HA ILE 81 HA ILE 81 -11.636 -7.856 -1.870 648 HB ILE 81 HB ILE 81 -12.891 -5.313 -2.688 649 1HG1 ILE 81 1HG1 ILE 81 -11.460 -6.233 -0.117 650 2HG1 ILE 81 2HG1 ILE 81 -10.761 -5.249 -1.438 651 1HG2 ILE 81 1HG2 ILE 81 -14.452 -5.433 -0.652 652 2HG2 ILE 81 2HG2 ILE 81 -13.922 -7.128 -0.385 653 3HG2 ILE 81 3HG2 ILE 81 -14.856 -6.669 -1.865 654 1HD1 ILE 81 1HD1 ILE 81 -12.456 -3.425 -0.932 655 2HD1 ILE 81 2HD1 ILE 81 -11.304 -3.768 0.413 656 3HD1 ILE 81 3HD1 ILE 81 -12.992 -4.373 0.506 657 H ALA 82 H ALA 82 -13.237 -6.959 -4.940 658 HA ALA 82 HA ALA 82 -15.420 -8.585 -4.781 659 1HB ALA 82 1HB ALA 82 -15.291 -8.645 -7.281 660 2HB ALA 82 2HB ALA 82 -13.599 -8.015 -7.191 661 3HB ALA 82 3HB ALA 82 -14.981 -7.001 -6.627 662 H LYS 83 H LYS 83 -12.040 -9.616 -5.367 663 HA LYS 83 HA LYS 83 -12.993 -12.374 -5.621 664 1HB LYS 83 1HB LYS 83 -10.217 -11.126 -5.826 665 2HB LYS 83 2HB LYS 83 -10.529 -12.888 -5.746 666 1HG LYS 83 1HG LYS 83 -10.510 -12.843 -7.973 667 2HG LYS 83 2HG LYS 83 -12.204 -12.325 -7.784 668 1HD LYS 83 1HD LYS 83 -11.244 -10.864 -9.390 669 2HD LYS 83 2HD LYS 83 -11.356 -9.898 -7.888 670 1HE LYS 83 1HE LYS 83 -8.858 -10.373 -7.485 671 2HE LYS 83 2HE LYS 83 -8.822 -11.277 -9.049 672 1HZ LYS 83 1HZ LYS 83 -9.416 -8.404 -8.603 673 2HZ LYS 83 2HZ LYS 83 -9.671 -9.148 -10.081 674 3HZ LYS 83 3HZ LYS 83 -8.107 -9.053 -9.453 675 H TYR 84 H TYR 84 -11.208 -10.139 -3.448 676 HA TYR 84 HA TYR 84 -10.245 -12.403 -2.042 677 1HB TYR 84 1HB TYR 84 -9.720 -9.403 -1.744 678 2HB TYR 84 2HB TYR 84 -8.812 -10.689 -0.898 679 HD1 TYR 84 HD1 TYR 84 -7.549 -8.675 -2.343 680 HD2 TYR 84 HD2 TYR 84 -8.978 -12.389 -3.800 681 HE1 TYR 84 HE1 TYR 84 -5.777 -8.695 -4.038 682 HE2 TYR 84 HE2 TYR 84 -7.269 -12.386 -5.528 683 HH TYR 84 HH TYR 84 -5.610 -11.125 -6.567 684 H SER 85 H SER 85 -12.869 -10.301 -1.467 685 HA SER 85 HA SER 85 -13.159 -10.244 1.195 686 1HB SER 85 1HB SER 85 -15.683 -10.506 0.733 687 2HB SER 85 2HB SER 85 -14.807 -9.199 -0.125 688 HG SER 85 HG SER 85 -14.893 -10.220 -1.939 689 H SER 86 H SER 86 -14.178 -13.147 -0.723 690 HA SER 86 HA SER 86 -13.120 -14.729 1.340 691 1HB SER 86 1HB SER 86 -15.179 -16.075 1.871 692 2HB SER 86 2HB SER 86 -15.267 -14.408 2.515 693 HG SER 86 HG SER 86 -16.233 -15.013 -0.031 Start of MODEL 12 1 1H VAL 1 1H VAL 1 -9.916 9.958 -3.655 2 2H VAL 1 2H VAL 1 -11.096 9.361 -4.695 3 3H VAL 1 3H VAL 1 -9.960 8.311 -4.044 4 HA VAL 1 HA VAL 1 -11.857 9.902 -2.431 5 HB VAL 1 HB VAL 1 -12.959 7.604 -2.029 6 1HG1 VAL 1 1HG1 VAL 1 -13.283 9.146 -4.677 7 2HG1 VAL 1 2HG1 VAL 1 -14.105 9.472 -3.105 8 3HG1 VAL 1 3HG1 VAL 1 -14.437 7.953 -3.994 9 1HG2 VAL 1 1HG2 VAL 1 -11.173 6.245 -3.290 10 2HG2 VAL 1 2HG2 VAL 1 -11.706 7.059 -4.817 11 3HG2 VAL 1 3HG2 VAL 1 -12.850 6.046 -3.897 12 H SER 2 H SER 2 -10.333 10.479 -0.860 13 HA SER 2 HA SER 2 -8.540 8.646 0.214 14 1HB SER 2 1HB SER 2 -8.277 11.156 -0.007 15 2HB SER 2 2HB SER 2 -9.337 11.323 1.430 16 HG SER 2 HG SER 2 -7.077 11.237 1.923 17 H GLN 3 H GLN 3 -11.880 9.369 1.029 18 HA GLN 3 HA GLN 3 -11.616 8.268 3.642 19 1HB GLN 3 1HB GLN 3 -13.344 9.909 3.017 20 2HB GLN 3 2HB GLN 3 -14.091 8.737 1.894 21 1HG GLN 3 1HG GLN 3 -14.673 7.216 3.773 22 2HG GLN 3 2HG GLN 3 -13.768 8.249 4.934 23 1HE2 GLN 3 1HE2 GLN 3 -16.686 7.476 4.789 24 2HE2 GLN 3 2HE2 GLN 3 -17.504 9.002 4.956 25 H LEU 4 H LEU 4 -12.749 7.096 0.469 26 HA LEU 4 HA LEU 4 -13.458 4.522 1.343 27 1HB LEU 4 1HB LEU 4 -14.213 5.425 -0.880 28 2HB LEU 4 2HB LEU 4 -12.496 5.469 -1.415 29 HG LEU 4 HG LEU 4 -12.315 3.023 -1.120 30 1HD1 LEU 4 1HD1 LEU 4 -14.119 2.549 0.552 31 2HD1 LEU 4 2HD1 LEU 4 -14.477 1.662 -0.972 32 3HD1 LEU 4 3HD1 LEU 4 -15.369 3.174 -0.594 33 1HD2 LEU 4 1HD2 LEU 4 -13.697 2.386 -3.129 34 2HD2 LEU 4 2HD2 LEU 4 -12.814 3.944 -3.351 35 3HD2 LEU 4 3HD2 LEU 4 -14.586 3.946 -2.994 36 H PHE 5 H PHE 5 -10.468 5.973 0.120 37 HA PHE 5 HA PHE 5 -8.810 3.899 -0.114 38 1HB PHE 5 1HB PHE 5 -8.120 6.200 -0.585 39 2HB PHE 5 2HB PHE 5 -8.414 6.669 1.126 40 HD1 PHE 5 HD1 PHE 5 -6.861 6.278 2.809 41 HD2 PHE 5 HD2 PHE 5 -6.159 4.788 -1.100 42 HE1 PHE 5 HE1 PHE 5 -4.660 5.473 3.530 43 HE2 PHE 5 HE2 PHE 5 -3.959 3.981 -0.410 44 HZ PHE 5 HZ PHE 5 -3.248 4.249 1.964 45 H GLU 6 H GLU 6 -9.912 5.277 2.971 46 HA GLU 6 HA GLU 6 -8.065 3.517 4.388 47 1HB GLU 6 1HB GLU 6 -10.024 5.624 5.396 48 2HB GLU 6 2HB GLU 6 -9.177 4.476 6.486 49 1HG GLU 6 1HG GLU 6 -6.966 5.178 5.495 50 2HG GLU 6 2HG GLU 6 -7.835 6.482 4.590 51 H GLU 7 H GLU 7 -11.571 3.825 3.869 52 HA GLU 7 HA GLU 7 -12.383 1.750 5.510 53 1HB GLU 7 1HB GLU 7 -13.933 3.340 4.588 54 2HB GLU 7 2HB GLU 7 -13.490 2.914 2.914 55 1HG GLU 7 1HG GLU 7 -14.558 0.748 3.059 56 2HG GLU 7 2HG GLU 7 -14.801 0.902 4.842 57 H LYS 8 H LYS 8 -11.389 1.662 2.091 58 HA LYS 8 HA LYS 8 -11.663 -1.188 2.049 59 1HB LYS 8 1HB LYS 8 -11.973 0.930 0.211 60 2HB LYS 8 2HB LYS 8 -10.542 0.055 -0.373 61 1HG LYS 8 1HG LYS 8 -12.551 -0.844 -1.415 62 2HG LYS 8 2HG LYS 8 -11.927 -2.093 -0.288 63 1HD LYS 8 1HD LYS 8 -13.643 -1.423 1.406 64 2HD LYS 8 2HD LYS 8 -14.188 -0.096 0.347 65 1HE LYS 8 1HE LYS 8 -14.935 -1.775 -1.386 66 2HE LYS 8 2HE LYS 8 -14.344 -3.120 -0.328 67 1HZ LYS 8 1HZ LYS 8 -16.678 -2.821 0.009 68 2HZ LYS 8 2HZ LYS 8 -16.500 -1.166 0.320 69 3HZ LYS 8 3HZ LYS 8 -15.871 -2.299 1.394 70 H ALA 9 H ALA 9 -8.804 1.048 2.358 71 HA ALA 9 HA ALA 9 -7.039 -0.920 1.575 72 1HB ALA 9 1HB ALA 9 -6.695 1.398 3.591 73 2HB ALA 9 2HB ALA 9 -6.308 1.436 1.832 74 3HB ALA 9 3HB ALA 9 -5.374 0.351 2.911 75 H LYS 10 H LYS 10 -8.207 0.060 4.793 76 HA LYS 10 HA LYS 10 -6.913 -1.982 6.245 77 1HB LYS 10 1HB LYS 10 -9.166 -0.015 6.575 78 2HB LYS 10 2HB LYS 10 -8.857 -1.241 7.885 79 1HG LYS 10 1HG LYS 10 -6.511 -0.407 8.073 80 2HG LYS 10 2HG LYS 10 -6.838 0.848 6.834 81 1HD LYS 10 1HD LYS 10 -8.665 1.782 8.278 82 2HD LYS 10 2HD LYS 10 -8.297 0.579 9.546 83 1HE LYS 10 1HE LYS 10 -6.316 2.715 8.486 84 2HE LYS 10 2HE LYS 10 -7.302 2.859 9.993 85 1HZ LYS 10 1HZ LYS 10 -5.086 2.130 10.426 86 2HZ LYS 10 2HZ LYS 10 -5.251 0.737 9.480 87 3HZ LYS 10 3HZ LYS 10 -6.179 0.946 10.887 88 H ALA 11 H ALA 11 -9.696 -2.091 4.161 89 HA ALA 11 HA ALA 11 -10.704 -4.506 5.309 90 1HB ALA 11 1HB ALA 11 -11.202 -3.374 2.499 91 2HB ALA 11 2HB ALA 11 -12.199 -3.014 3.956 92 3HB ALA 11 3HB ALA 11 -12.110 -4.690 3.315 93 H VAL 12 H VAL 12 -8.666 -3.709 2.374 94 HA VAL 12 HA VAL 12 -8.447 -6.388 1.748 95 HB VAL 12 HB VAL 12 -6.863 -5.723 0.026 96 1HG1 VAL 12 1HG1 VAL 12 -9.342 -5.756 -0.211 97 2HG1 VAL 12 2HG1 VAL 12 -8.490 -4.577 -1.272 98 3HG1 VAL 12 3HG1 VAL 12 -9.384 -3.994 0.188 99 1HG2 VAL 12 1HG2 VAL 12 -7.208 -2.870 1.130 100 2HG2 VAL 12 2HG2 VAL 12 -6.359 -3.338 -0.368 101 3HG2 VAL 12 3HG2 VAL 12 -5.680 -3.817 1.220 102 H ASN 13 H ASN 13 -6.406 -4.333 3.745 103 HA ASN 13 HA ASN 13 -4.319 -6.304 3.825 104 1HB ASN 13 1HB ASN 13 -4.925 -3.773 5.448 105 2HB ASN 13 2HB ASN 13 -3.493 -4.819 5.765 106 1HD2 ASN 13 1HD2 ASN 13 -4.705 -2.276 3.714 107 2HD2 ASN 13 2HD2 ASN 13 -3.218 -2.142 2.795 108 H GLU 14 H GLU 14 -7.377 -6.283 5.192 109 HA GLU 14 HA GLU 14 -6.483 -8.059 7.369 110 1HB GLU 14 1HB GLU 14 -7.605 -5.680 7.727 111 2HB GLU 14 2HB GLU 14 -9.107 -6.513 7.299 112 1HG GLU 14 1HG GLU 14 -8.987 -6.542 9.706 113 2HG GLU 14 2HG GLU 14 -8.510 -8.210 9.230 114 H LEU 15 H LEU 15 -7.733 -8.275 4.320 115 HA LEU 15 HA LEU 15 -10.186 -9.445 4.809 116 1HB LEU 15 1HB LEU 15 -8.777 -8.237 2.775 117 2HB LEU 15 2HB LEU 15 -8.704 -9.913 2.207 118 HG LEU 15 HG LEU 15 -11.025 -9.946 1.747 119 1HD1 LEU 15 1HD1 LEU 15 -12.045 -9.024 3.858 120 2HD1 LEU 15 2HD1 LEU 15 -12.668 -8.173 2.408 121 3HD1 LEU 15 3HD1 LEU 15 -11.421 -7.381 3.432 122 1HD2 LEU 15 1HD2 LEU 15 -9.515 -8.237 0.412 123 2HD2 LEU 15 2HD2 LEU 15 -10.518 -6.988 1.232 124 3HD2 LEU 15 3HD2 LEU 15 -11.301 -8.224 0.179 125 HA PRO 16 HA PRO 16 -8.943 -13.556 5.448 126 1HB PRO 16 1HB PRO 16 -10.989 -15.134 4.495 127 2HB PRO 16 2HB PRO 16 -11.237 -13.961 5.856 128 1HG PRO 16 1HG PRO 16 -11.894 -13.510 2.892 129 2HG PRO 16 2HG PRO 16 -12.960 -13.231 4.333 130 1HD PRO 16 1HD PRO 16 -11.399 -11.258 3.137 131 2HD PRO 16 2HD PRO 16 -11.740 -11.226 4.937 132 H THR 17 H THR 17 -9.601 -12.541 2.226 133 HA THR 17 HA THR 17 -7.973 -14.682 1.048 134 HB THR 17 HB THR 17 -9.380 -12.362 -0.298 135 HG1 THR 17 HG1 THR 17 -11.083 -13.360 0.071 136 1HG2 THR 17 1HG2 THR 17 -8.394 -15.098 -1.379 137 2HG2 THR 17 2HG2 THR 17 -7.669 -13.476 -1.753 138 3HG2 THR 17 3HG2 THR 17 -9.319 -13.864 -2.314 139 H LYS 18 H LYS 18 -6.472 -13.597 2.665 140 HA LYS 18 HA LYS 18 -5.606 -11.137 2.693 141 1HB LYS 18 1HB LYS 18 -3.808 -13.589 3.008 142 2HB LYS 18 2HB LYS 18 -3.498 -11.982 3.727 143 1HG LYS 18 1HG LYS 18 -5.531 -12.242 5.167 144 2HG LYS 18 2HG LYS 18 -5.856 -13.833 4.415 145 1HD LYS 18 1HD LYS 18 -3.434 -14.480 5.052 146 2HD LYS 18 2HD LYS 18 -3.421 -13.063 6.132 147 1HE LYS 18 1HE LYS 18 -5.444 -15.424 6.246 148 2HE LYS 18 2HE LYS 18 -3.942 -15.300 7.233 149 1HZ LYS 18 1HZ LYS 18 -4.827 -13.231 8.190 150 2HZ LYS 18 2HZ LYS 18 -5.767 -14.594 8.488 151 3HZ LYS 18 3HZ LYS 18 -6.281 -13.434 7.379 152 HA PRO 19 HA PRO 19 -4.207 -9.992 -0.868 153 1HB PRO 19 1HB PRO 19 -1.580 -8.879 0.259 154 2HB PRO 19 2HB PRO 19 -2.710 -8.063 -0.903 155 1HG PRO 19 1HG PRO 19 -2.858 -7.466 1.770 156 2HG PRO 19 2HG PRO 19 -4.394 -7.807 0.863 157 1HD PRO 19 1HD PRO 19 -2.822 -9.707 2.686 158 2HD PRO 19 2HD PRO 19 -4.613 -9.423 2.543 159 H SER 20 H SER 20 -3.385 -10.580 -2.829 160 HA SER 20 HA SER 20 -1.654 -12.841 -2.814 161 1HB SER 20 1HB SER 20 -3.023 -11.308 -5.088 162 2HB SER 20 2HB SER 20 -2.043 -12.789 -5.329 163 HG SER 20 HG SER 20 -4.294 -12.679 -3.593 164 H THR 21 H THR 21 0.283 -13.099 -4.024 165 HA THR 21 HA THR 21 1.940 -11.225 -3.012 166 HB THR 21 HB THR 21 2.381 -13.550 -3.093 167 HG1 THR 21 HG1 THR 21 4.564 -13.368 -3.705 168 1HG2 THR 21 1HG2 THR 21 3.187 -13.152 -6.057 169 2HG2 THR 21 2HG2 THR 21 1.677 -13.980 -5.503 170 3HG2 THR 21 3HG2 THR 21 3.272 -14.657 -5.061 171 H ASP 22 H ASP 22 1.324 -11.540 -6.564 172 HA ASP 22 HA ASP 22 3.215 -9.470 -7.092 173 1HB ASP 22 1HB ASP 22 0.923 -10.612 -8.791 174 2HB ASP 22 2HB ASP 22 2.180 -9.477 -9.393 175 H GLU 23 H GLU 23 -0.118 -9.526 -6.190 176 HA GLU 23 HA GLU 23 -0.748 -6.939 -7.267 177 1HB GLU 23 1HB GLU 23 -2.332 -8.754 -5.390 178 2HB GLU 23 2HB GLU 23 -2.911 -7.214 -6.093 179 1HG GLU 23 1HG GLU 23 -2.517 -8.196 -8.419 180 2HG GLU 23 2HG GLU 23 -2.197 -9.783 -7.636 181 H LEU 24 H LEU 24 -0.126 -8.306 -3.993 182 HA LEU 24 HA LEU 24 -0.380 -6.211 -2.412 183 1HB LEU 24 1HB LEU 24 0.080 -8.552 -1.856 184 2HB LEU 24 2HB LEU 24 1.716 -8.436 -2.556 185 HG LEU 24 HG LEU 24 2.457 -6.971 -0.731 186 1HD1 LEU 24 1HD1 LEU 24 -0.480 -7.047 0.217 187 2HD1 LEU 24 2HD1 LEU 24 0.444 -5.597 -0.310 188 3HD1 LEU 24 3HD1 LEU 24 0.906 -6.442 1.213 189 1HD2 LEU 24 1HD2 LEU 24 0.791 -9.378 0.249 190 2HD2 LEU 24 2HD2 LEU 24 2.176 -8.628 1.143 191 3HD2 LEU 24 3HD2 LEU 24 2.442 -9.455 -0.447 192 H LEU 25 H LEU 25 2.492 -6.800 -4.493 193 HA LEU 25 HA LEU 25 4.068 -4.774 -3.433 194 1HB LEU 25 1HB LEU 25 3.845 -5.951 -6.261 195 2HB LEU 25 2HB LEU 25 5.264 -5.026 -5.634 196 HG LEU 25 HG LEU 25 4.188 -7.769 -4.724 197 1HD1 LEU 25 1HD1 LEU 25 6.825 -6.947 -6.089 198 2HD1 LEU 25 2HD1 LEU 25 5.412 -7.747 -6.870 199 3HD1 LEU 25 3HD1 LEU 25 6.350 -8.625 -5.598 200 1HD2 LEU 25 1HD2 LEU 25 5.038 -6.535 -2.710 201 2HD2 LEU 25 2HD2 LEU 25 6.591 -6.227 -3.593 202 3HD2 LEU 25 3HD2 LEU 25 6.108 -7.914 -3.156 203 H GLU 26 H GLU 26 1.888 -4.677 -6.216 204 HA GLU 26 HA GLU 26 2.334 -1.951 -6.827 205 1HB GLU 26 1HB GLU 26 1.320 -3.817 -8.305 206 2HB GLU 26 2HB GLU 26 -0.175 -3.610 -7.380 207 1HG GLU 26 1HG GLU 26 -0.477 -2.346 -9.366 208 2HG GLU 26 2HG GLU 26 -0.128 -1.100 -8.122 209 H LEU 27 H LEU 27 -0.090 -3.674 -4.910 210 HA LEU 27 HA LEU 27 -1.642 -1.528 -4.156 211 1HB LEU 27 1HB LEU 27 -2.223 -3.923 -4.183 212 2HB LEU 27 2HB LEU 27 -1.084 -4.244 -2.855 213 HG LEU 27 HG LEU 27 -3.591 -4.190 -2.361 214 1HD1 LEU 27 1HD1 LEU 27 -1.879 -2.335 -0.592 215 2HD1 LEU 27 2HD1 LEU 27 -1.782 -4.128 -0.610 216 3HD1 LEU 27 3HD1 LEU 27 -3.312 -3.316 -0.105 217 1HD2 LEU 27 1HD2 LEU 27 -4.196 -2.200 -3.677 218 2HD2 LEU 27 2HD2 LEU 27 -3.261 -1.150 -2.545 219 3HD2 LEU 27 3HD2 LEU 27 -4.713 -2.062 -1.956 220 H TYR 28 H TYR 28 1.164 -2.967 -2.476 221 HA TYR 28 HA TYR 28 1.289 -1.443 -0.253 222 1HB TYR 28 1HB TYR 28 2.783 -3.310 -0.620 223 2HB TYR 28 2HB TYR 28 3.510 -2.521 -2.055 224 HD1 TYR 28 HD1 TYR 28 4.879 -0.441 -1.726 225 HD2 TYR 28 HD2 TYR 28 3.676 -2.907 1.529 226 HE1 TYR 28 HE1 TYR 28 6.501 0.636 -0.345 227 HE2 TYR 28 HE2 TYR 28 5.505 -2.023 2.860 228 HH TYR 28 HH TYR 28 7.094 -0.516 3.033 229 H ALA 29 H ALA 29 2.810 -0.546 -3.446 230 HA ALA 29 HA ALA 29 3.781 1.852 -2.682 231 1HB ALA 29 1HB ALA 29 4.178 0.747 -4.880 232 2HB ALA 29 2HB ALA 29 3.662 2.454 -5.099 233 3HB ALA 29 3HB ALA 29 2.490 1.110 -5.372 234 H LEU 30 H LEU 30 0.432 1.309 -3.838 235 HA LEU 30 HA LEU 30 -0.160 4.077 -3.540 236 1HB LEU 30 1HB LEU 30 -1.870 1.601 -4.046 237 2HB LEU 30 2HB LEU 30 -2.529 3.279 -3.939 238 HG LEU 30 HG LEU 30 -2.355 2.557 -6.153 239 1HD1 LEU 30 1HD1 LEU 30 -2.455 4.791 -5.823 240 2HD1 LEU 30 2HD1 LEU 30 -1.219 4.594 -7.123 241 3HD1 LEU 30 3HD1 LEU 30 -0.674 4.991 -5.439 242 1HD2 LEU 30 1HD2 LEU 30 -0.281 2.393 -7.489 243 2HD2 LEU 30 2HD2 LEU 30 -0.331 1.118 -6.232 244 3HD2 LEU 30 3HD2 LEU 30 0.735 2.571 -6.017 245 H TYR 31 H TYR 31 -0.844 1.201 -1.537 246 HA TYR 31 HA TYR 31 -2.535 2.469 0.278 247 1HB TYR 31 1HB TYR 31 -2.471 0.073 0.200 248 2HB TYR 31 2HB TYR 31 -0.728 0.066 0.623 249 HD1 TYR 31 HD1 TYR 31 -0.357 -0.569 2.700 250 HD2 TYR 31 HD2 TYR 31 -3.778 1.907 2.087 251 HE1 TYR 31 HE1 TYR 31 -0.757 -0.488 5.099 252 HE2 TYR 31 HE2 TYR 31 -4.219 1.922 4.419 253 HH TYR 31 HH TYR 31 -3.116 1.782 6.412 254 H LYS 32 H LYS 32 1.021 1.778 0.563 255 HA LYS 32 HA LYS 32 1.375 3.300 2.847 256 1HB LYS 32 1HB LYS 32 3.379 2.583 0.650 257 2HB LYS 32 2HB LYS 32 3.815 3.220 2.246 258 1HG LYS 32 1HG LYS 32 2.473 0.521 1.664 259 2HG LYS 32 2HG LYS 32 4.149 0.854 2.167 260 1HD LYS 32 1HD LYS 32 1.608 1.157 3.860 261 2HD LYS 32 2HD LYS 32 2.954 -0.007 4.034 262 1HE LYS 32 1HE LYS 32 4.507 2.024 4.450 263 2HE LYS 32 2HE LYS 32 2.998 3.030 4.557 264 1HZ LYS 32 1HZ LYS 32 4.000 0.933 6.368 265 2HZ LYS 32 2HZ LYS 32 2.330 1.186 6.285 266 3HZ LYS 32 3HZ LYS 32 3.344 2.433 6.741 267 H GLN 33 H GLN 33 1.564 4.299 -0.556 268 HA GLN 33 HA GLN 33 2.356 6.869 -0.306 269 1HB GLN 33 1HB GLN 33 0.397 5.486 -2.157 270 2HB GLN 33 2HB GLN 33 0.344 7.263 -2.115 271 1HG GLN 33 1HG GLN 33 2.623 7.522 -2.790 272 2HG GLN 33 2HG GLN 33 2.901 5.735 -2.648 273 1HE2 GLN 33 1HE2 GLN 33 2.625 4.606 -4.547 274 2HE2 GLN 33 2HE2 GLN 33 1.702 5.168 -5.933 275 H ALA 34 H ALA 34 -1.141 5.982 -0.072 276 HA ALA 34 HA ALA 34 -1.563 8.725 0.807 277 1HB ALA 34 1HB ALA 34 -3.349 6.577 -0.221 278 2HB ALA 34 2HB ALA 34 -3.301 8.339 -0.577 279 3HB ALA 34 3HB ALA 34 -4.077 7.771 0.930 280 H THR 35 H THR 35 -1.036 5.678 2.418 281 HA THR 35 HA THR 35 -2.303 6.251 4.779 282 HB THR 35 HB THR 35 0.258 4.733 4.247 283 HG1 THR 35 HG1 THR 35 -1.495 3.741 3.434 284 1HG2 THR 35 1HG2 THR 35 0.272 5.399 6.645 285 2HG2 THR 35 2HG2 THR 35 -0.298 3.693 6.508 286 3HG2 THR 35 3HG2 THR 35 -1.497 5.015 6.780 287 H VAL 36 H VAL 36 1.182 6.891 3.945 288 HA VAL 36 HA VAL 36 1.288 8.736 6.185 289 HB VAL 36 HB VAL 36 3.082 7.418 6.154 290 1HG1 VAL 36 1HG1 VAL 36 3.258 7.769 3.088 291 2HG1 VAL 36 2HG1 VAL 36 3.143 6.272 4.087 292 3HG1 VAL 36 3HG1 VAL 36 4.639 7.225 4.078 293 1HG2 VAL 36 1HG2 VAL 36 4.972 8.887 5.957 294 2HG2 VAL 36 2HG2 VAL 36 3.575 9.897 6.444 295 3HG2 VAL 36 3HG2 VAL 36 4.165 9.926 4.734 296 H GLY 37 H GLY 37 1.539 8.882 2.619 297 1HA GLY 37 1HA GLY 37 0.872 10.621 1.422 298 2HA GLY 37 2HA GLY 37 1.117 11.750 2.823 299 H ASP 38 H ASP 38 3.751 9.681 2.454 300 HA ASP 38 HA ASP 38 5.136 11.267 0.465 301 1HB ASP 38 1HB ASP 38 6.073 10.803 3.388 302 2HB ASP 38 2HB ASP 38 7.144 11.432 2.081 303 H ASN 39 H ASN 39 7.209 10.047 -0.149 304 HA ASN 39 HA ASN 39 7.092 7.265 0.469 305 1HB ASN 39 1HB ASN 39 9.175 6.953 -0.606 306 2HB ASN 39 2HB ASN 39 8.049 7.890 -1.634 307 1HD2 ASN 39 1HD2 ASN 39 11.099 7.613 -1.471 308 2HD2 ASN 39 2HD2 ASN 39 11.658 9.259 -1.477 309 H ASP 40 H ASP 40 6.929 7.084 2.650 310 HA ASP 40 HA ASP 40 8.773 8.264 4.459 311 1HB ASP 40 1HB ASP 40 6.440 7.839 4.931 312 2HB ASP 40 2HB ASP 40 6.679 6.063 4.774 313 H LYS 41 H LYS 41 8.346 4.720 4.074 314 HA LYS 41 HA LYS 41 10.473 4.735 5.853 315 1HB LYS 41 1HB LYS 41 8.199 3.351 5.426 316 2HB LYS 41 2HB LYS 41 9.349 2.113 4.864 317 1HG LYS 41 1HG LYS 41 10.565 2.178 6.927 318 2HG LYS 41 2HG LYS 41 9.785 3.741 7.428 319 1HD LYS 41 1HD LYS 41 8.280 1.072 7.136 320 2HD LYS 41 2HD LYS 41 8.907 1.664 8.696 321 1HE LYS 41 1HE LYS 41 6.880 3.193 6.934 322 2HE LYS 41 2HE LYS 41 6.443 2.133 8.335 323 1HZ LYS 41 1HZ LYS 41 6.607 3.972 9.491 324 2HZ LYS 41 2HZ LYS 41 7.386 4.812 8.270 325 3HZ LYS 41 3HZ LYS 41 8.302 3.910 9.362 326 H GLU 42 H GLU 42 12.232 5.473 4.649 327 HA GLU 42 HA GLU 42 13.529 3.831 2.769 328 1HB GLU 42 1HB GLU 42 13.383 6.335 2.955 329 2HB GLU 42 2HB GLU 42 14.454 6.256 4.372 330 1HG GLU 42 1HG GLU 42 16.269 5.249 2.864 331 2HG GLU 42 2HG GLU 42 15.157 5.427 1.459 332 H LYS 43 H LYS 43 12.997 2.448 5.054 333 HA LYS 43 HA LYS 43 15.677 1.409 5.615 334 1HB LYS 43 1HB LYS 43 13.439 1.431 7.703 335 2HB LYS 43 2HB LYS 43 14.982 0.544 7.804 336 1HG LYS 43 1HG LYS 43 15.407 2.293 9.151 337 2HG LYS 43 2HG LYS 43 16.145 2.881 7.633 338 1HD LYS 43 1HD LYS 43 14.219 4.388 7.258 339 2HD LYS 43 2HD LYS 43 13.268 3.547 8.517 340 1HE LYS 43 1HE LYS 43 14.018 5.738 9.339 341 2HE LYS 43 2HE LYS 43 14.760 4.410 10.314 342 1HZ LYS 43 1HZ LYS 43 16.225 6.303 9.574 343 2HZ LYS 43 2HZ LYS 43 16.195 5.638 8.013 344 3HZ LYS 43 3HZ LYS 43 16.825 4.760 9.284 345 HA PRO 44 HA PRO 44 12.800 -1.829 4.136 346 1HB PRO 44 1HB PRO 44 13.687 -2.317 1.660 347 2HB PRO 44 2HB PRO 44 12.751 -0.801 1.985 348 1HG PRO 44 1HG PRO 44 15.821 -1.084 1.868 349 2HG PRO 44 2HG PRO 44 14.762 0.082 0.942 350 1HD PRO 44 1HD PRO 44 15.948 0.716 3.417 351 2HD PRO 44 2HD PRO 44 14.313 1.349 2.888 352 H GLY 45 H GLY 45 14.196 -4.108 2.677 353 1HA GLY 45 1HA GLY 45 15.850 -4.881 4.859 354 2HA GLY 45 2HA GLY 45 15.392 -5.772 3.387 355 H ILE 46 H ILE 46 17.750 -6.274 4.026 356 HA ILE 46 HA ILE 46 19.540 -4.474 2.526 357 HB ILE 46 HB ILE 46 21.393 -5.676 3.627 358 1HG1 ILE 46 1HG1 ILE 46 19.224 -6.552 5.632 359 2HG1 ILE 46 2HG1 ILE 46 19.980 -7.673 4.457 360 1HG2 ILE 46 1HG2 ILE 46 21.190 -4.235 5.617 361 2HG2 ILE 46 2HG2 ILE 46 19.405 -4.151 5.424 362 3HG2 ILE 46 3HG2 ILE 46 20.490 -3.371 4.204 363 1HD1 ILE 46 1HD1 ILE 46 21.098 -7.860 6.648 364 2HD1 ILE 46 2HD1 ILE 46 21.484 -6.108 6.655 365 3HD1 ILE 46 3HD1 ILE 46 22.241 -7.191 5.428 366 H PHE 47 H PHE 47 18.732 -7.918 2.992 367 HA PHE 47 HA PHE 47 19.615 -8.451 0.255 368 1HB PHE 47 1HB PHE 47 19.419 -10.916 1.155 369 2HB PHE 47 2HB PHE 47 20.785 -9.887 1.659 370 HD1 PHE 47 HD1 PHE 47 17.215 -10.365 2.866 371 HD2 PHE 47 HD2 PHE 47 21.366 -10.168 3.797 372 HE1 PHE 47 HE1 PHE 47 16.673 -10.319 5.197 373 HE2 PHE 47 HE2 PHE 47 20.825 -10.254 6.178 374 HZ PHE 47 HZ PHE 47 18.484 -10.226 6.903 375 H ASN 48 H ASN 48 17.076 -7.005 0.681 376 HA ASN 48 HA ASN 48 15.102 -9.047 0.652 377 1HB ASN 48 1HB ASN 48 14.939 -6.657 1.640 378 2HB ASN 48 2HB ASN 48 14.339 -6.280 -0.043 379 1HD2 ASN 48 1HD2 ASN 48 13.842 -8.714 2.677 380 2HD2 ASN 48 2HD2 ASN 48 12.155 -8.921 2.323 381 H MET 49 H MET 49 13.876 -9.647 -1.336 382 HA MET 49 HA MET 49 14.916 -8.510 -3.830 383 1HB MET 49 1HB MET 49 14.775 -11.021 -3.533 384 2HB MET 49 2HB MET 49 13.005 -10.862 -3.381 385 1HG MET 49 1HG MET 49 13.601 -11.520 -5.660 386 2HG MET 49 2HG MET 49 12.910 -9.879 -5.689 387 1HE MET 49 1HE MET 49 14.300 -10.982 -8.167 388 2HE MET 49 2HE MET 49 15.291 -9.562 -8.650 389 3HE MET 49 3HE MET 49 13.651 -9.317 -7.964 390 H LYS 50 H LYS 50 12.061 -8.810 -1.759 391 HA LYS 50 HA LYS 50 10.320 -7.710 -3.681 392 1HB LYS 50 1HB LYS 50 10.100 -8.367 -0.740 393 2HB LYS 50 2HB LYS 50 8.729 -7.652 -1.673 394 1HG LYS 50 1HG LYS 50 8.902 -9.563 -3.315 395 2HG LYS 50 2HG LYS 50 10.160 -10.304 -2.278 396 1HD LYS 50 1HD LYS 50 8.513 -10.370 -0.368 397 2HD LYS 50 2HD LYS 50 7.282 -9.606 -1.412 398 1HE LYS 50 1HE LYS 50 6.851 -12.011 -1.239 399 2HE LYS 50 2HE LYS 50 7.296 -11.606 -2.944 400 1HZ LYS 50 1HZ LYS 50 9.419 -12.437 -1.075 401 2HZ LYS 50 2HZ LYS 50 9.263 -12.703 -2.750 402 3HZ LYS 50 3HZ LYS 50 8.340 -13.591 -1.631 403 H ASP 51 H ASP 51 12.112 -6.109 -1.035 404 HA ASP 51 HA ASP 51 10.724 -3.753 -1.194 405 1HB ASP 51 1HB ASP 51 12.225 -2.773 0.141 406 2HB ASP 51 2HB ASP 51 12.470 -4.505 0.537 407 H ARG 52 H ARG 52 13.337 -4.874 -3.064 408 HA ARG 52 HA ARG 52 13.861 -2.725 -4.693 409 1HB ARG 52 1HB ARG 52 13.909 -5.622 -5.639 410 2HB ARG 52 2HB ARG 52 14.933 -4.276 -6.206 411 1HG ARG 52 1HG ARG 52 15.010 -5.592 -3.406 412 2HG ARG 52 2HG ARG 52 16.119 -5.896 -4.758 413 1HD ARG 52 1HD ARG 52 16.973 -3.520 -4.627 414 2HD ARG 52 2HD ARG 52 15.813 -3.191 -3.293 415 HE ARG 52 HE ARG 52 17.067 -4.623 -1.835 416 1HH1 ARG 52 1HH1 ARG 52 18.524 -4.955 -5.122 417 2HH1 ARG 52 2HH1 ARG 52 19.487 -6.279 -4.561 418 1HH2 ARG 52 1HH2 ARG 52 18.685 -5.881 -1.165 419 2HH2 ARG 52 2HH2 ARG 52 19.941 -6.414 -2.256 420 H TYR 53 H TYR 53 11.034 -4.774 -4.790 421 HA TYR 53 HA TYR 53 10.109 -3.384 -7.183 422 1HB TYR 53 1HB TYR 53 8.730 -5.511 -5.448 423 2HB TYR 53 2HB TYR 53 8.061 -4.781 -6.949 424 HD1 TYR 53 HD1 TYR 53 9.740 -7.540 -5.714 425 HD2 TYR 53 HD2 TYR 53 9.727 -4.868 -9.009 426 HE1 TYR 53 HE1 TYR 53 10.787 -9.259 -7.103 427 HE2 TYR 53 HE2 TYR 53 10.733 -6.581 -10.415 428 HH TYR 53 HH TYR 53 11.370 -8.750 -10.560 429 H LYS 54 H LYS 54 9.046 -3.868 -3.780 430 HA LYS 54 HA LYS 54 6.888 -2.237 -3.825 431 1HB LYS 54 1HB LYS 54 8.902 -2.874 -1.597 432 2HB LYS 54 2HB LYS 54 7.345 -2.067 -1.275 433 1HG LYS 54 1HG LYS 54 6.073 -4.005 -1.886 434 2HG LYS 54 2HG LYS 54 7.535 -4.839 -2.540 435 1HD LYS 54 1HD LYS 54 8.597 -4.951 -0.411 436 2HD LYS 54 2HD LYS 54 7.393 -3.859 0.354 437 1HE LYS 54 1HE LYS 54 5.597 -5.593 0.078 438 2HE LYS 54 2HE LYS 54 6.790 -6.731 -0.646 439 1HZ LYS 54 1HZ LYS 54 8.010 -6.759 1.406 440 2HZ LYS 54 2HZ LYS 54 6.373 -6.999 1.758 441 3HZ LYS 54 3HZ LYS 54 7.109 -5.511 2.069 442 H TRP 55 H TRP 55 10.154 -1.326 -2.611 443 HA TRP 55 HA TRP 55 9.065 1.179 -1.815 444 1HB TRP 55 1HB TRP 55 10.786 -0.342 -0.567 445 2HB TRP 55 2HB TRP 55 12.001 0.494 -1.561 446 HD1 TRP 55 HD1 TRP 55 9.645 1.101 1.556 447 HE1 TRP 55 HE1 TRP 55 9.416 3.564 1.918 448 HE3 TRP 55 HE3 TRP 55 12.958 2.758 -1.944 449 HZ2 TRP 55 HZ2 TRP 55 11.192 5.775 1.578 450 HZ3 TRP 55 HZ3 TRP 55 13.785 5.052 -1.727 451 HH2 TRP 55 HH2 TRP 55 12.932 6.546 -0.010 452 H GLU 56 H GLU 56 10.833 0.022 -4.632 453 HA GLU 56 HA GLU 56 11.487 2.682 -5.422 454 1HB GLU 56 1HB GLU 56 12.399 1.919 -7.369 455 2HB GLU 56 2HB GLU 56 12.818 0.724 -6.126 456 1HG GLU 56 1HG GLU 56 12.351 -0.689 -7.806 457 2HG GLU 56 2HG GLU 56 10.709 -0.629 -7.106 458 H ALA 57 H ALA 57 8.753 0.439 -5.994 459 HA ALA 57 HA ALA 57 7.479 2.117 -7.820 460 1HB ALA 57 1HB ALA 57 5.447 0.742 -7.180 461 2HB ALA 57 2HB ALA 57 6.396 0.031 -5.820 462 3HB ALA 57 3HB ALA 57 6.885 -0.278 -7.523 463 H TRP 58 H TRP 58 7.708 2.117 -4.333 464 HA TRP 58 HA TRP 58 5.556 3.838 -3.908 465 1HB TRP 58 1HB TRP 58 6.397 2.231 -2.190 466 2HB TRP 58 2HB TRP 58 7.882 3.230 -1.992 467 HD1 TRP 58 HD1 TRP 58 4.772 5.275 -2.356 468 HE1 TRP 58 HE1 TRP 58 4.045 6.146 0.017 469 HE3 TRP 58 HE3 TRP 58 7.684 2.300 0.455 470 HZ2 TRP 58 HZ2 TRP 58 4.828 5.727 2.610 471 HZ3 TRP 58 HZ3 TRP 58 7.532 2.421 2.909 472 HH2 TRP 58 HH2 TRP 58 6.197 4.090 3.991 473 H GLU 59 H GLU 59 9.099 4.273 -3.779 474 HA GLU 59 HA GLU 59 9.418 6.921 -3.318 475 1HB GLU 59 1HB GLU 59 11.090 5.049 -3.198 476 2HB GLU 59 2HB GLU 59 10.982 4.877 -4.966 477 1HG GLU 59 1HG GLU 59 11.929 7.349 -5.066 478 2HG GLU 59 2HG GLU 59 12.299 7.120 -3.316 479 H ASN 60 H ASN 60 8.700 5.241 -6.337 480 HA ASN 60 HA ASN 60 9.084 7.286 -8.123 481 1HB ASN 60 1HB ASN 60 8.535 4.879 -8.614 482 2HB ASN 60 2HB ASN 60 6.841 5.191 -8.086 483 1HD2 ASN 60 1HD2 ASN 60 5.767 4.983 -10.018 484 2HD2 ASN 60 2HD2 ASN 60 6.094 5.935 -11.447 485 H LEU 61 H LEU 61 6.312 6.820 -5.885 486 HA LEU 61 HA LEU 61 5.365 9.463 -6.774 487 1HB LEU 61 1HB LEU 61 3.831 7.026 -5.964 488 2HB LEU 61 2HB LEU 61 3.182 8.619 -5.489 489 HG LEU 61 HG LEU 61 3.334 9.436 -7.840 490 1HD1 LEU 61 1HD1 LEU 61 4.962 7.999 -8.881 491 2HD1 LEU 61 2HD1 LEU 61 3.380 7.584 -9.638 492 3HD1 LEU 61 3HD1 LEU 61 4.086 6.501 -8.356 493 1HD2 LEU 61 1HD2 LEU 61 1.611 6.931 -7.355 494 2HD2 LEU 61 2HD2 LEU 61 1.292 8.233 -8.574 495 3HD2 LEU 61 3HD2 LEU 61 1.234 8.608 -6.806 496 H LYS 62 H LYS 62 7.531 9.157 -5.127 497 HA LYS 62 HA LYS 62 7.607 9.705 -2.725 498 1HB LYS 62 1HB LYS 62 9.187 11.543 -3.022 499 2HB LYS 62 2HB LYS 62 9.459 10.225 -4.164 500 1HG LYS 62 1HG LYS 62 7.799 12.633 -5.091 501 2HG LYS 62 2HG LYS 62 9.559 12.784 -4.856 502 1HD LYS 62 1HD LYS 62 9.925 10.782 -6.296 503 2HD LYS 62 2HD LYS 62 8.191 10.775 -6.736 504 1HE LYS 62 1HE LYS 62 10.165 13.127 -7.219 505 2HE LYS 62 2HE LYS 62 9.741 11.860 -8.433 506 1HZ LYS 62 1HZ LYS 62 8.408 13.796 -8.788 507 2HZ LYS 62 2HZ LYS 62 7.894 13.840 -7.194 508 3HZ LYS 62 3HZ LYS 62 7.405 12.571 -8.218 509 H GLY 63 H GLY 63 5.655 12.278 -4.409 510 1HA GLY 63 1HA GLY 63 5.515 13.479 -1.716 511 2HA GLY 63 2HA GLY 63 6.107 14.358 -3.167 512 H LYS 64 H LYS 64 3.973 12.699 -4.699 513 HA LYS 64 HA LYS 64 1.785 14.570 -4.116 514 1HB LYS 64 1HB LYS 64 3.109 14.476 -6.358 515 2HB LYS 64 2HB LYS 64 2.424 12.847 -6.589 516 1HG LYS 64 1HG LYS 64 1.179 14.363 -7.849 517 2HG LYS 64 2HG LYS 64 0.121 13.864 -6.456 518 1HD LYS 64 1HD LYS 64 0.323 16.037 -5.390 519 2HD LYS 64 2HD LYS 64 1.842 16.371 -6.258 520 1HE LYS 64 1HE LYS 64 0.246 17.892 -7.154 521 2HE LYS 64 2HE LYS 64 0.577 16.655 -8.425 522 1HZ LYS 64 1HZ LYS 64 -1.731 17.076 -8.319 523 2HZ LYS 64 2HZ LYS 64 -1.843 16.840 -6.663 524 3HZ LYS 64 3HZ LYS 64 -1.551 15.550 -7.682 525 H SER 65 H SER 65 2.659 11.829 -2.994 526 HA SER 65 HA SER 65 1.160 9.781 -3.687 527 1HB SER 65 1HB SER 65 1.703 10.562 -0.735 528 2HB SER 65 2HB SER 65 1.887 8.931 -1.439 529 HG SER 65 HG SER 65 3.760 9.817 -2.534 530 H GLN 66 H GLN 66 0.039 12.252 -1.332 531 HA GLN 66 HA GLN 66 -2.192 10.618 -0.669 532 1HB GLN 66 1HB GLN 66 -0.864 12.958 0.327 533 2HB GLN 66 2HB GLN 66 -2.578 13.393 0.123 534 1HG GLN 66 1HG GLN 66 -3.292 11.357 1.417 535 2HG GLN 66 2HG GLN 66 -1.564 10.840 1.505 536 1HE2 GLN 66 1HE2 GLN 66 -1.373 10.820 3.713 537 2HE2 GLN 66 2HE2 GLN 66 -1.322 12.293 4.655 538 H GLU 67 H GLU 67 -1.606 12.683 -3.276 539 HA GLU 67 HA GLU 67 -4.432 13.245 -3.734 540 1HB GLU 67 1HB GLU 67 -1.887 14.239 -5.098 541 2HB GLU 67 2HB GLU 67 -3.559 14.628 -5.627 542 1HG GLU 67 1HG GLU 67 -4.049 15.622 -3.371 543 2HG GLU 67 2HG GLU 67 -2.334 15.350 -2.885 544 H ASP 68 H ASP 68 -1.688 11.374 -5.126 545 HA ASP 68 HA ASP 68 -3.503 10.561 -7.283 546 1HB ASP 68 1HB ASP 68 -0.492 10.371 -6.719 547 2HB ASP 68 2HB ASP 68 -1.241 9.129 -7.771 548 H ALA 69 H ALA 69 -1.965 9.077 -4.423 549 HA ALA 69 HA ALA 69 -2.524 6.561 -5.096 550 1HB ALA 69 1HB ALA 69 -2.493 7.815 -2.335 551 2HB ALA 69 2HB ALA 69 -1.185 6.986 -3.259 552 3HB ALA 69 3HB ALA 69 -2.571 6.019 -2.627 553 H GLU 70 H GLU 70 -4.627 8.511 -2.975 554 HA GLU 70 HA GLU 70 -6.851 7.040 -2.685 555 1HB GLU 70 1HB GLU 70 -8.033 9.009 -2.297 556 2HB GLU 70 2HB GLU 70 -6.404 9.115 -1.611 557 1HG GLU 70 1HG GLU 70 -5.720 10.841 -3.022 558 2HG GLU 70 2HG GLU 70 -6.599 10.213 -4.421 559 H LYS 71 H LYS 71 -6.012 8.416 -5.834 560 HA LYS 71 HA LYS 71 -8.714 7.996 -6.845 561 1HB LYS 71 1HB LYS 71 -6.208 9.529 -7.674 562 2HB LYS 71 2HB LYS 71 -7.237 8.897 -8.979 563 1HG LYS 71 1HG LYS 71 -7.819 11.160 -8.621 564 2HG LYS 71 2HG LYS 71 -9.190 10.104 -8.170 565 1HD LYS 71 1HD LYS 71 -8.787 10.470 -5.799 566 2HD LYS 71 2HD LYS 71 -7.264 11.370 -6.140 567 1HE LYS 71 1HE LYS 71 -8.458 13.232 -7.151 568 2HE LYS 71 2HE LYS 71 -10.010 12.307 -7.177 569 1HZ LYS 71 1HZ LYS 71 -10.265 12.520 -4.924 570 2HZ LYS 71 2HZ LYS 71 -9.639 14.012 -5.350 571 3HZ LYS 71 3HZ LYS 71 -8.653 12.872 -4.587 572 H GLU 72 H GLU 72 -5.427 6.713 -7.258 573 HA GLU 72 HA GLU 72 -6.390 4.830 -9.190 574 1HB GLU 72 1HB GLU 72 -3.832 4.982 -7.534 575 2HB GLU 72 2HB GLU 72 -4.102 3.810 -8.860 576 1HG GLU 72 1HG GLU 72 -4.090 6.880 -9.199 577 2HG GLU 72 2HG GLU 72 -2.686 5.809 -9.485 578 H TYR 73 H TYR 73 -6.346 5.037 -5.733 579 HA TYR 73 HA TYR 73 -5.817 2.421 -5.179 580 1HB TYR 73 1HB TYR 73 -5.735 4.436 -3.544 581 2HB TYR 73 2HB TYR 73 -7.504 4.233 -3.320 582 HD1 TYR 73 HD1 TYR 73 -8.177 2.531 -1.731 583 HD2 TYR 73 HD2 TYR 73 -4.254 2.518 -3.340 584 HE1 TYR 73 HE1 TYR 73 -7.533 0.785 -0.143 585 HE2 TYR 73 HE2 TYR 73 -3.582 0.783 -1.746 586 HH TYR 73 HH TYR 73 -4.299 -0.719 -0.296 587 H ILE 74 H ILE 74 -9.002 4.100 -5.047 588 HA ILE 74 HA ILE 74 -10.703 2.076 -4.791 589 HB ILE 74 HB ILE 74 -11.354 4.305 -4.925 590 1HG1 ILE 74 1HG1 ILE 74 -12.654 2.748 -7.255 591 2HG1 ILE 74 2HG1 ILE 74 -13.001 2.469 -5.527 592 1HG2 ILE 74 1HG2 ILE 74 -10.723 4.346 -7.934 593 2HG2 ILE 74 2HG2 ILE 74 -9.749 5.144 -6.633 594 3HG2 ILE 74 3HG2 ILE 74 -11.429 5.662 -6.947 595 1HD1 ILE 74 1HD1 ILE 74 -14.755 3.862 -6.562 596 2HD1 ILE 74 2HD1 ILE 74 -13.549 5.076 -7.103 597 3HD1 ILE 74 3HD1 ILE 74 -13.874 4.842 -5.343 598 H ALA 75 H ALA 75 -9.195 2.848 -7.943 599 HA ALA 75 HA ALA 75 -10.606 0.689 -9.132 600 1HB ALA 75 1HB ALA 75 -9.219 1.252 -11.167 601 2HB ALA 75 2HB ALA 75 -8.155 2.286 -10.140 602 3HB ALA 75 3HB ALA 75 -9.876 2.744 -10.409 603 H LEU 76 H LEU 76 -7.407 0.785 -7.654 604 HA LEU 76 HA LEU 76 -6.676 -1.796 -8.617 605 1HB LEU 76 1HB LEU 76 -5.933 -0.336 -6.012 606 2HB LEU 76 2HB LEU 76 -5.217 -1.888 -6.541 607 HG LEU 76 HG LEU 76 -4.882 0.821 -7.916 608 1HD1 LEU 76 1HD1 LEU 76 -2.994 -1.034 -6.312 609 2HD1 LEU 76 2HD1 LEU 76 -3.747 0.479 -5.699 610 3HD1 LEU 76 3HD1 LEU 76 -2.542 0.543 -7.061 611 1HD2 LEU 76 1HD2 LEU 76 -3.703 -1.945 -8.647 612 2HD2 LEU 76 2HD2 LEU 76 -3.171 -0.366 -9.332 613 3HD2 LEU 76 3HD2 LEU 76 -4.835 -0.962 -9.657 614 H VAL 77 H VAL 77 -8.219 -0.629 -5.606 615 HA VAL 77 HA VAL 77 -8.185 -3.190 -4.397 616 HB VAL 77 HB VAL 77 -9.056 -0.445 -3.625 617 1HG1 VAL 77 1HG1 VAL 77 -9.586 -3.127 -2.182 618 2HG1 VAL 77 2HG1 VAL 77 -10.771 -1.822 -2.552 619 3HG1 VAL 77 3HG1 VAL 77 -9.469 -1.546 -1.327 620 1HG2 VAL 77 1HG2 VAL 77 -7.230 -1.088 -1.922 621 2HG2 VAL 77 2HG2 VAL 77 -6.629 -1.061 -3.631 622 3HG2 VAL 77 3HG2 VAL 77 -7.009 -2.627 -2.809 623 H ASP 78 H ASP 78 -10.687 -1.447 -6.372 624 HA ASP 78 HA ASP 78 -12.684 -3.205 -5.556 625 1HB ASP 78 1HB ASP 78 -13.060 -1.071 -6.715 626 2HB ASP 78 2HB ASP 78 -12.231 -1.717 -8.186 627 H GLN 79 H GLN 79 -10.011 -3.549 -7.819 628 HA GLN 79 HA GLN 79 -11.005 -6.037 -8.872 629 1HB GLN 79 1HB GLN 79 -8.358 -4.578 -9.239 630 2HB GLN 79 2HB GLN 79 -8.882 -6.035 -10.140 631 1HG GLN 79 1HG GLN 79 -10.841 -4.786 -11.072 632 2HG GLN 79 2HG GLN 79 -10.354 -3.301 -10.184 633 1HE2 GLN 79 1HE2 GLN 79 -8.257 -2.316 -10.739 634 2HE2 GLN 79 2HE2 GLN 79 -7.439 -2.692 -12.243 635 H LEU 80 H LEU 80 -9.206 -5.085 -6.084 636 HA LEU 80 HA LEU 80 -8.252 -7.791 -5.553 637 1HB LEU 80 1HB LEU 80 -8.388 -5.215 -3.916 638 2HB LEU 80 2HB LEU 80 -8.131 -6.811 -3.162 639 HG LEU 80 HG LEU 80 -6.134 -7.211 -4.557 640 1HD1 LEU 80 1HD1 LEU 80 -4.920 -5.341 -5.613 641 2HD1 LEU 80 2HD1 LEU 80 -6.286 -4.217 -5.274 642 3HD1 LEU 80 3HD1 LEU 80 -6.505 -5.581 -6.437 643 1HD2 LEU 80 1HD2 LEU 80 -5.993 -4.664 -2.819 644 2HD2 LEU 80 2HD2 LEU 80 -4.673 -5.854 -3.149 645 3HD2 LEU 80 3HD2 LEU 80 -6.104 -6.341 -2.170 646 H ILE 81 H ILE 81 -10.762 -5.629 -4.166 647 HA ILE 81 HA ILE 81 -11.911 -7.416 -2.501 648 HB ILE 81 HB ILE 81 -12.707 -4.986 -3.981 649 1HG1 ILE 81 1HG1 ILE 81 -11.052 -4.942 -2.055 650 2HG1 ILE 81 2HG1 ILE 81 -12.432 -3.820 -1.943 651 1HG2 ILE 81 1HG2 ILE 81 -14.918 -5.986 -3.748 652 2HG2 ILE 81 2HG2 ILE 81 -14.762 -4.716 -2.504 653 3HG2 ILE 81 3HG2 ILE 81 -14.605 -6.440 -2.028 654 1HD1 ILE 81 1HD1 ILE 81 -12.353 -6.538 -0.478 655 2HD1 ILE 81 2HD1 ILE 81 -13.558 -5.228 -0.260 656 3HD1 ILE 81 3HD1 ILE 81 -11.857 -4.965 0.256 657 H ALA 82 H ALA 82 -12.776 -6.865 -5.916 658 HA ALA 82 HA ALA 82 -14.973 -8.518 -6.003 659 1HB ALA 82 1HB ALA 82 -14.519 -8.674 -8.443 660 2HB ALA 82 2HB ALA 82 -12.848 -8.043 -8.166 661 3HB ALA 82 3HB ALA 82 -14.284 -7.001 -7.841 662 H LYS 83 H LYS 83 -11.566 -9.515 -5.978 663 HA LYS 83 HA LYS 83 -12.396 -12.306 -6.181 664 1HB LYS 83 1HB LYS 83 -9.682 -10.958 -6.022 665 2HB LYS 83 2HB LYS 83 -9.914 -12.730 -5.874 666 1HG LYS 83 1HG LYS 83 -9.692 -12.912 -8.073 667 2HG LYS 83 2HG LYS 83 -11.266 -12.093 -8.258 668 1HD LYS 83 1HD LYS 83 -9.639 -10.971 -9.651 669 2HD LYS 83 2HD LYS 83 -10.079 -9.884 -8.301 670 1HE LYS 83 1HE LYS 83 -7.883 -10.551 -7.138 671 2HE LYS 83 2HE LYS 83 -7.473 -11.554 -8.580 672 1HZ LYS 83 1HZ LYS 83 -6.482 -9.348 -8.696 673 2HZ LYS 83 2HZ LYS 83 -8.007 -8.630 -8.543 674 3HZ LYS 83 3HZ LYS 83 -7.649 -9.506 -9.919 675 H TYR 84 H TYR 84 -11.277 -9.860 -3.816 676 HA TYR 84 HA TYR 84 -10.394 -11.962 -2.121 677 1HB TYR 84 1HB TYR 84 -10.238 -8.914 -1.846 678 2HB TYR 84 2HB TYR 84 -9.592 -10.095 -0.651 679 HD1 TYR 84 HD1 TYR 84 -7.706 -8.757 -0.739 680 HD2 TYR 84 HD2 TYR 84 -8.901 -10.984 -4.156 681 HE1 TYR 84 HE1 TYR 84 -5.476 -8.513 -1.687 682 HE2 TYR 84 HE2 TYR 84 -6.676 -10.792 -5.075 683 HH TYR 84 HH TYR 84 -4.706 -9.608 -4.928 684 H SER 85 H SER 85 -13.113 -9.742 -2.120 685 HA SER 85 HA SER 85 -13.723 -9.279 0.350 686 1HB SER 85 1HB SER 85 -16.176 -9.394 -0.281 687 2HB SER 85 2HB SER 85 -15.112 -8.413 -1.326 688 HG SER 85 HG SER 85 -15.181 -9.880 -2.873 689 H SER 86 H SER 86 -14.758 -12.395 -1.030 690 HA SER 86 HA SER 86 -14.275 -13.617 1.471 691 1HB SER 86 1HB SER 86 -16.659 -12.665 1.754 692 2HB SER 86 2HB SER 86 -17.168 -13.814 0.483 693 HG SER 86 HG SER 86 -17.496 -14.623 2.537 Start of MODEL 13 1 1H VAL 1 1H VAL 1 -13.624 8.668 -0.307 2 2H VAL 1 2H VAL 1 -14.150 8.747 -1.896 3 3H VAL 1 3H VAL 1 -13.230 9.997 -1.246 4 HA VAL 1 HA VAL 1 -12.441 7.240 -1.890 5 HB VAL 1 HB VAL 1 -10.677 8.248 -3.272 6 1HG1 VAL 1 1HG1 VAL 1 -13.576 9.006 -3.999 7 2HG1 VAL 1 2HG1 VAL 1 -12.843 7.365 -4.169 8 3HG1 VAL 1 3HG1 VAL 1 -12.203 8.748 -5.121 9 1HG2 VAL 1 1HG2 VAL 1 -10.869 10.583 -3.994 10 2HG2 VAL 1 2HG2 VAL 1 -10.575 10.572 -2.231 11 3HG2 VAL 1 3HG2 VAL 1 -12.232 10.892 -2.880 12 H SER 2 H SER 2 -11.032 10.107 -0.102 13 HA SER 2 HA SER 2 -8.704 8.746 0.404 14 1HB SER 2 1HB SER 2 -9.749 11.086 2.034 15 2HB SER 2 2HB SER 2 -8.054 10.703 1.572 16 HG SER 2 HG SER 2 -8.456 11.657 -0.355 17 H GLN 3 H GLN 3 -11.753 8.716 2.160 18 HA GLN 3 HA GLN 3 -10.450 7.819 4.557 19 1HB GLN 3 1HB GLN 3 -13.458 7.848 3.921 20 2HB GLN 3 2HB GLN 3 -12.699 7.475 5.484 21 1HG GLN 3 1HG GLN 3 -13.548 9.684 5.655 22 2HG GLN 3 2HG GLN 3 -11.759 9.814 5.591 23 1HE2 GLN 3 1HE2 GLN 3 -11.223 11.623 4.430 24 2HE2 GLN 3 2HE2 GLN 3 -12.052 12.180 2.998 25 H LEU 4 H LEU 4 -12.471 6.638 1.952 26 HA LEU 4 HA LEU 4 -13.005 4.058 2.582 27 1HB LEU 4 1HB LEU 4 -13.847 5.361 0.528 28 2HB LEU 4 2HB LEU 4 -12.182 5.254 -0.166 29 HG LEU 4 HG LEU 4 -12.250 2.855 -0.224 30 1HD1 LEU 4 1HD1 LEU 4 -13.968 2.387 1.647 31 2HD1 LEU 4 2HD1 LEU 4 -14.514 1.660 0.087 32 3HD1 LEU 4 3HD1 LEU 4 -15.226 3.206 0.649 33 1HD2 LEU 4 1HD2 LEU 4 -12.968 4.203 -2.182 34 2HD2 LEU 4 2HD2 LEU 4 -14.677 4.206 -1.592 35 3HD2 LEU 4 3HD2 LEU 4 -13.910 2.657 -2.104 36 H PHE 5 H PHE 5 -10.324 5.509 0.886 37 HA PHE 5 HA PHE 5 -8.786 3.551 0.060 38 1HB PHE 5 1HB PHE 5 -8.374 5.876 -0.446 39 2HB PHE 5 2HB PHE 5 -8.351 6.316 1.293 40 HD1 PHE 5 HD1 PHE 5 -6.381 5.064 -1.497 41 HD2 PHE 5 HD2 PHE 5 -6.453 6.002 2.630 42 HE1 PHE 5 HE1 PHE 5 -3.937 4.771 -1.406 43 HE2 PHE 5 HE2 PHE 5 -4.009 5.722 2.757 44 HZ PHE 5 HZ PHE 5 -2.756 5.169 0.710 45 H GLU 6 H GLU 6 -8.949 4.771 3.367 46 HA GLU 6 HA GLU 6 -6.812 2.960 4.192 47 1HB GLU 6 1HB GLU 6 -8.258 5.179 5.635 48 2HB GLU 6 2HB GLU 6 -7.457 3.865 6.556 49 1HG GLU 6 1HG GLU 6 -5.326 4.281 5.212 50 2HG GLU 6 2HG GLU 6 -6.083 5.806 4.613 51 H GLU 7 H GLU 7 -10.386 3.149 4.562 52 HA GLU 7 HA GLU 7 -10.380 1.150 6.530 53 1HB GLU 7 1HB GLU 7 -12.758 1.344 4.659 54 2HB GLU 7 2HB GLU 7 -12.668 1.047 6.417 55 1HG GLU 7 1HG GLU 7 -11.767 3.614 6.434 56 2HG GLU 7 2HG GLU 7 -12.516 3.599 4.780 57 H LYS 8 H LYS 8 -10.678 1.036 3.033 58 HA LYS 8 HA LYS 8 -10.901 -1.829 2.974 59 1HB LYS 8 1HB LYS 8 -10.537 0.205 0.738 60 2HB LYS 8 2HB LYS 8 -10.969 -1.542 0.538 61 1HG LYS 8 1HG LYS 8 -12.653 0.663 1.826 62 2HG LYS 8 2HG LYS 8 -12.903 -0.105 0.230 63 1HD LYS 8 1HD LYS 8 -13.348 -2.320 1.420 64 2HD LYS 8 2HD LYS 8 -13.088 -1.467 2.974 65 1HE LYS 8 1HE LYS 8 -15.460 -1.614 2.731 66 2HE LYS 8 2HE LYS 8 -15.013 0.103 2.392 67 1HZ LYS 8 1HZ LYS 8 -16.573 -0.616 0.775 68 2HZ LYS 8 2HZ LYS 8 -15.710 -2.012 0.398 69 3HZ LYS 8 3HZ LYS 8 -15.112 -0.518 -0.031 70 H ALA 9 H ALA 9 -8.148 0.504 2.661 71 HA ALA 9 HA ALA 9 -6.413 -1.335 1.603 72 1HB ALA 9 1HB ALA 9 -5.735 1.038 1.843 73 2HB ALA 9 2HB ALA 9 -4.613 -0.022 2.731 74 3HB ALA 9 3HB ALA 9 -5.873 0.920 3.636 75 H LYS 10 H LYS 10 -7.193 -0.576 4.963 76 HA LYS 10 HA LYS 10 -5.492 -2.367 6.260 77 1HB LYS 10 1HB LYS 10 -8.151 -1.025 6.812 78 2HB LYS 10 2HB LYS 10 -7.364 -2.097 8.059 79 1HG LYS 10 1HG LYS 10 -5.361 -0.559 8.026 80 2HG LYS 10 2HG LYS 10 -6.221 0.511 6.885 81 1HD LYS 10 1HD LYS 10 -8.092 0.746 8.583 82 2HD LYS 10 2HD LYS 10 -7.116 -0.225 9.735 83 1HE LYS 10 1HE LYS 10 -5.293 1.564 9.606 84 2HE LYS 10 2HE LYS 10 -6.379 2.532 8.534 85 1HZ LYS 10 1HZ LYS 10 -6.565 3.235 10.814 86 2HZ LYS 10 2HZ LYS 10 -6.953 1.693 11.345 87 3HZ LYS 10 3HZ LYS 10 -8.019 2.534 10.331 88 H ALA 11 H ALA 11 -8.554 -2.896 4.590 89 HA ALA 11 HA ALA 11 -8.955 -5.499 5.702 90 1HB ALA 11 1HB ALA 11 -10.132 -4.251 3.143 91 2HB ALA 11 2HB ALA 11 -10.895 -4.212 4.778 92 3HB ALA 11 3HB ALA 11 -10.653 -5.777 3.922 93 H VAL 12 H VAL 12 -7.760 -4.291 2.427 94 HA VAL 12 HA VAL 12 -7.477 -6.844 1.547 95 HB VAL 12 HB VAL 12 -6.280 -5.928 -0.367 96 1HG1 VAL 12 1HG1 VAL 12 -8.741 -6.038 -0.136 97 2HG1 VAL 12 2HG1 VAL 12 -8.167 -4.681 -1.179 98 3HG1 VAL 12 3HG1 VAL 12 -8.762 -4.347 0.492 99 1HG2 VAL 12 1HG2 VAL 12 -5.952 -3.440 -0.543 100 2HG2 VAL 12 2HG2 VAL 12 -4.933 -4.083 0.783 101 3HG2 VAL 12 3HG2 VAL 12 -6.476 -3.242 1.148 102 H ASN 13 H ASN 13 -5.234 -4.934 3.393 103 HA ASN 13 HA ASN 13 -3.021 -6.638 2.725 104 1HB ASN 13 1HB ASN 13 -3.504 -4.538 4.923 105 2HB ASN 13 2HB ASN 13 -2.008 -5.537 4.895 106 1HD2 ASN 13 1HD2 ASN 13 -3.713 -2.893 3.239 107 2HD2 ASN 13 2HD2 ASN 13 -2.330 -2.436 2.282 108 H GLU 14 H GLU 14 -5.688 -7.055 4.813 109 HA GLU 14 HA GLU 14 -4.342 -9.328 6.100 110 1HB GLU 14 1HB GLU 14 -6.077 -7.161 7.352 111 2HB GLU 14 2HB GLU 14 -5.811 -8.753 8.124 112 1HG GLU 14 1HG GLU 14 -3.328 -8.392 8.074 113 2HG GLU 14 2HG GLU 14 -3.592 -6.738 7.424 114 H LEU 15 H LEU 15 -6.314 -8.995 3.683 115 HA LEU 15 HA LEU 15 -8.609 -10.290 4.615 116 1HB LEU 15 1HB LEU 15 -7.343 -9.515 2.016 117 2HB LEU 15 2HB LEU 15 -8.537 -10.830 1.890 118 HG LEU 15 HG LEU 15 -9.048 -8.031 3.004 119 1HD1 LEU 15 1HD1 LEU 15 -8.783 -8.220 0.467 120 2HD1 LEU 15 2HD1 LEU 15 -10.429 -7.699 1.011 121 3HD1 LEU 15 3HD1 LEU 15 -10.152 -9.390 0.467 122 1HD2 LEU 15 1HD2 LEU 15 -10.561 -9.630 4.189 123 2HD2 LEU 15 2HD2 LEU 15 -11.089 -10.303 2.594 124 3HD2 LEU 15 3HD2 LEU 15 -11.459 -8.601 3.026 125 HA PRO 16 HA PRO 16 -7.120 -14.337 4.819 126 1HB PRO 16 1HB PRO 16 -9.247 -15.932 4.131 127 2HB PRO 16 2HB PRO 16 -9.314 -14.857 5.585 128 1HG PRO 16 1HG PRO 16 -10.485 -14.309 2.792 129 2HG PRO 16 2HG PRO 16 -11.275 -14.062 4.403 130 1HD PRO 16 1HD PRO 16 -9.896 -12.096 2.900 131 2HD PRO 16 2HD PRO 16 -10.081 -11.992 4.716 132 H THR 17 H THR 17 -8.495 -13.260 1.776 133 HA THR 17 HA THR 17 -6.730 -15.093 0.310 134 HB THR 17 HB THR 17 -9.073 -13.417 -0.621 135 HG1 THR 17 HG1 THR 17 -10.036 -15.405 -0.891 136 1HG2 THR 17 1HG2 THR 17 -7.221 -13.875 -2.371 137 2HG2 THR 17 2HG2 THR 17 -8.810 -14.605 -2.764 138 3HG2 THR 17 3HG2 THR 17 -7.483 -15.646 -2.111 139 H LYS 18 H LYS 18 -5.070 -13.904 1.239 140 HA LYS 18 HA LYS 18 -4.695 -11.234 1.222 141 1HB LYS 18 1HB LYS 18 -2.635 -13.471 0.912 142 2HB LYS 18 2HB LYS 18 -2.203 -11.799 1.366 143 1HG LYS 18 1HG LYS 18 -3.603 -12.008 3.447 144 2HG LYS 18 2HG LYS 18 -3.930 -13.712 3.026 145 1HD LYS 18 1HD LYS 18 -1.415 -14.079 2.823 146 2HD LYS 18 2HD LYS 18 -1.141 -12.440 3.461 147 1HE LYS 18 1HE LYS 18 -2.576 -14.732 4.988 148 2HE LYS 18 2HE LYS 18 -0.826 -14.320 5.114 149 1HZ LYS 18 1HZ LYS 18 -3.148 -12.842 6.136 150 2HZ LYS 18 2HZ LYS 18 -1.767 -11.962 5.704 151 3HZ LYS 18 3HZ LYS 18 -1.644 -13.194 6.827 152 HA PRO 19 HA PRO 19 -4.044 -9.944 -2.739 153 1HB PRO 19 1HB PRO 19 -1.581 -8.332 -2.081 154 2HB PRO 19 2HB PRO 19 -3.163 -7.782 -2.752 155 1HG PRO 19 1HG PRO 19 -2.486 -7.317 -0.095 156 2HG PRO 19 2HG PRO 19 -4.173 -7.779 -0.557 157 1HD PRO 19 1HD PRO 19 -1.928 -9.630 0.437 158 2HD PRO 19 2HD PRO 19 -3.639 -9.487 1.035 159 H SER 20 H SER 20 -2.905 -10.423 -4.749 160 HA SER 20 HA SER 20 -0.907 -12.397 -4.541 161 1HB SER 20 1HB SER 20 -2.569 -12.275 -6.395 162 2HB SER 20 2HB SER 20 -1.690 -10.871 -7.070 163 HG SER 20 HG SER 20 -0.051 -12.194 -7.601 164 H THR 21 H THR 21 1.205 -12.441 -5.153 165 HA THR 21 HA THR 21 2.838 -10.939 -3.902 166 HB THR 21 HB THR 21 3.536 -12.221 -6.559 167 HG1 THR 21 HG1 THR 21 2.591 -13.680 -5.189 168 1HG2 THR 21 1HG2 THR 21 5.219 -11.524 -4.049 169 2HG2 THR 21 2HG2 THR 21 5.439 -10.827 -5.702 170 3HG2 THR 21 3HG2 THR 21 5.772 -12.560 -5.413 171 H ASP 22 H ASP 22 2.496 -10.309 -7.407 172 HA ASP 22 HA ASP 22 4.243 -8.019 -7.173 173 1HB ASP 22 1HB ASP 22 2.663 -9.067 -9.598 174 2HB ASP 22 2HB ASP 22 4.110 -7.990 -9.633 175 H GLU 23 H GLU 23 0.845 -8.673 -7.438 176 HA GLU 23 HA GLU 23 0.054 -6.056 -8.209 177 1HB GLU 23 1HB GLU 23 -1.384 -8.486 -7.073 178 2HB GLU 23 2HB GLU 23 -2.249 -6.970 -7.482 179 1HG GLU 23 1HG GLU 23 -1.737 -7.113 -9.808 180 2HG GLU 23 2HG GLU 23 -0.447 -8.331 -9.563 181 H LEU 24 H LEU 24 0.418 -7.723 -5.055 182 HA LEU 24 HA LEU 24 -0.319 -5.814 -3.334 183 1HB LEU 24 1HB LEU 24 0.522 -8.205 -3.153 184 2HB LEU 24 2HB LEU 24 2.188 -7.595 -3.226 185 HG LEU 24 HG LEU 24 0.159 -6.671 -1.097 186 1HD1 LEU 24 1HD1 LEU 24 0.870 -8.606 0.290 187 2HD1 LEU 24 2HD1 LEU 24 2.002 -9.145 -1.023 188 3HD1 LEU 24 3HD1 LEU 24 0.233 -9.188 -1.305 189 1HD2 LEU 24 1HD2 LEU 24 2.348 -5.393 -1.126 190 2HD2 LEU 24 2HD2 LEU 24 3.240 -6.965 -1.037 191 3HD2 LEU 24 3HD2 LEU 24 2.212 -6.430 0.341 192 H LEU 25 H LEU 25 2.567 -5.656 -5.461 193 HA LEU 25 HA LEU 25 3.836 -3.738 -3.805 194 1HB LEU 25 1HB LEU 25 5.623 -4.103 -5.064 195 2HB LEU 25 2HB LEU 25 4.666 -5.507 -5.652 196 HG LEU 25 HG LEU 25 3.919 -3.861 -7.584 197 1HD1 LEU 25 1HD1 LEU 25 5.731 -2.213 -8.171 198 2HD1 LEU 25 2HD1 LEU 25 6.565 -2.563 -6.611 199 3HD1 LEU 25 3HD1 LEU 25 4.964 -1.751 -6.611 200 1HD2 LEU 25 1HD2 LEU 25 6.763 -5.029 -7.342 201 2HD2 LEU 25 2HD2 LEU 25 5.927 -4.568 -8.877 202 3HD2 LEU 25 3HD2 LEU 25 5.269 -5.905 -7.854 203 H GLU 26 H GLU 26 1.756 -3.576 -6.639 204 HA GLU 26 HA GLU 26 1.871 -0.776 -6.927 205 1HB GLU 26 1HB GLU 26 0.968 -2.557 -8.575 206 2HB GLU 26 2HB GLU 26 -0.483 -2.629 -7.560 207 1HG GLU 26 1HG GLU 26 -1.145 -1.105 -9.213 208 2HG GLU 26 2HG GLU 26 -0.575 0.037 -7.949 209 H LEU 27 H LEU 27 -0.336 -2.935 -5.169 210 HA LEU 27 HA LEU 27 -1.974 -0.919 -4.147 211 1HB LEU 27 1HB LEU 27 -1.459 -3.844 -3.563 212 2HB LEU 27 2HB LEU 27 -2.462 -2.911 -2.416 213 HG LEU 27 HG LEU 27 -3.790 -4.172 -4.007 214 1HD1 LEU 27 1HD1 LEU 27 -5.412 -2.415 -4.560 215 2HD1 LEU 27 2HD1 LEU 27 -4.164 -1.138 -4.360 216 3HD1 LEU 27 3HD1 LEU 27 -4.699 -2.120 -2.935 217 1HD2 LEU 27 1HD2 LEU 27 -2.562 -4.178 -6.097 218 2HD2 LEU 27 2HD2 LEU 27 -2.647 -2.375 -6.234 219 3HD2 LEU 27 3HD2 LEU 27 -4.137 -3.366 -6.368 220 H TYR 28 H TYR 28 0.973 -2.379 -2.824 221 HA TYR 28 HA TYR 28 1.029 -1.049 -0.397 222 1HB TYR 28 1HB TYR 28 2.555 -2.884 -0.934 223 2HB TYR 28 2HB TYR 28 3.240 -1.971 -2.306 224 HD1 TYR 28 HD1 TYR 28 3.496 -2.648 1.216 225 HD2 TYR 28 HD2 TYR 28 4.605 0.052 -1.880 226 HE1 TYR 28 HE1 TYR 28 5.421 -1.911 2.526 227 HE2 TYR 28 HE2 TYR 28 6.406 0.892 -0.545 228 HH TYR 28 HH TYR 28 7.638 -0.898 2.026 229 H ALA 29 H ALA 29 2.576 0.026 -3.517 230 HA ALA 29 HA ALA 29 3.529 2.345 -2.597 231 1HB ALA 29 1HB ALA 29 2.377 1.755 -5.386 232 2HB ALA 29 2HB ALA 29 3.996 1.245 -4.803 233 3HB ALA 29 3HB ALA 29 3.634 2.994 -4.997 234 H LEU 30 H LEU 30 0.240 1.912 -3.924 235 HA LEU 30 HA LEU 30 -0.504 4.599 -3.513 236 1HB LEU 30 1HB LEU 30 -2.025 1.989 -3.908 237 2HB LEU 30 2HB LEU 30 -2.889 3.485 -3.449 238 HG LEU 30 HG LEU 30 -1.513 4.568 -5.485 239 1HD1 LEU 30 1HD1 LEU 30 -0.353 2.425 -6.229 240 2HD1 LEU 30 2HD1 LEU 30 -1.600 2.930 -7.441 241 3HD1 LEU 30 3HD1 LEU 30 -1.971 1.608 -6.271 242 1HD2 LEU 30 1HD2 LEU 30 -3.932 4.474 -4.940 243 2HD2 LEU 30 2HD2 LEU 30 -4.055 2.898 -5.820 244 3HD2 LEU 30 3HD2 LEU 30 -3.555 4.404 -6.718 245 H TYR 31 H TYR 31 -1.148 1.732 -1.451 246 HA TYR 31 HA TYR 31 -2.710 2.907 0.447 247 1HB TYR 31 1HB TYR 31 -2.578 0.575 0.357 248 2HB TYR 31 2HB TYR 31 -0.804 0.590 0.634 249 HD1 TYR 31 HD1 TYR 31 -0.425 -0.327 2.587 250 HD2 TYR 31 HD2 TYR 31 -3.547 2.537 2.426 251 HE1 TYR 31 HE1 TYR 31 -0.702 -0.485 5.027 252 HE2 TYR 31 HE2 TYR 31 -3.891 2.338 4.795 253 HH TYR 31 HH TYR 31 -3.050 1.567 6.746 254 H LYS 32 H LYS 32 0.797 2.272 0.472 255 HA LYS 32 HA LYS 32 1.448 3.800 2.708 256 1HB LYS 32 1HB LYS 32 3.222 2.908 0.403 257 2HB LYS 32 2HB LYS 32 3.788 3.468 1.987 258 1HG LYS 32 1HG LYS 32 2.198 0.913 1.449 259 2HG LYS 32 2HG LYS 32 3.909 1.094 1.901 260 1HD LYS 32 1HD LYS 32 1.451 1.655 3.657 261 2HD LYS 32 2HD LYS 32 2.642 0.327 3.785 262 1HE LYS 32 1HE LYS 32 4.451 2.091 4.248 263 2HE LYS 32 2HE LYS 32 3.122 3.331 4.309 264 1HZ LYS 32 1HZ LYS 32 2.270 2.426 6.201 265 2HZ LYS 32 2HZ LYS 32 3.902 2.244 6.482 266 3HZ LYS 32 3HZ LYS 32 2.967 0.904 6.021 267 H GLN 33 H GLN 33 1.016 4.893 -0.702 268 HA GLN 33 HA GLN 33 2.219 7.343 -0.140 269 1HB GLN 33 1HB GLN 33 0.538 6.305 -2.351 270 2HB GLN 33 2HB GLN 33 0.306 8.042 -2.077 271 1HG GLN 33 1HG GLN 33 2.999 6.690 -2.505 272 2HG GLN 33 2HG GLN 33 2.013 7.636 -3.714 273 1HE2 GLN 33 1HE2 GLN 33 4.635 7.855 -1.556 274 2HE2 GLN 33 2HE2 GLN 33 4.634 9.599 -1.389 275 H ALA 34 H ALA 34 -1.317 6.686 -0.229 276 HA ALA 34 HA ALA 34 -1.569 9.271 1.103 277 1HB ALA 34 1HB ALA 34 -3.105 9.101 -0.612 278 2HB ALA 34 2HB ALA 34 -4.001 9.101 0.932 279 3HB ALA 34 3HB ALA 34 -3.798 7.568 0.010 280 H THR 35 H THR 35 -1.005 6.172 2.520 281 HA THR 35 HA THR 35 -2.165 7.124 4.914 282 HB THR 35 HB THR 35 -0.576 5.715 6.145 283 HG1 THR 35 HG1 THR 35 -0.401 4.491 3.612 284 1HG2 THR 35 1HG2 THR 35 -2.989 5.252 5.736 285 2HG2 THR 35 2HG2 THR 35 -1.992 3.757 5.669 286 3HG2 THR 35 3HG2 THR 35 -2.590 4.511 4.137 287 H VAL 36 H VAL 36 1.328 7.024 3.741 288 HA VAL 36 HA VAL 36 2.119 8.630 5.906 289 HB VAL 36 HB VAL 36 3.550 7.811 3.358 290 1HG1 VAL 36 1HG1 VAL 36 4.740 8.580 6.105 291 2HG1 VAL 36 2HG1 VAL 36 4.680 9.719 4.705 292 3HG1 VAL 36 3HG1 VAL 36 5.609 8.212 4.562 293 1HG2 VAL 36 1HG2 VAL 36 2.719 5.796 4.501 294 2HG2 VAL 36 2HG2 VAL 36 3.302 6.413 6.098 295 3HG2 VAL 36 3HG2 VAL 36 4.465 5.963 4.796 296 H GLY 37 H GLY 37 1.947 9.183 2.394 297 1HA GLY 37 1HA GLY 37 1.580 10.977 1.259 298 2HA GLY 37 2HA GLY 37 1.781 12.034 2.718 299 H ASP 38 H ASP 38 4.317 9.974 2.584 300 HA ASP 38 HA ASP 38 5.833 11.209 0.461 301 1HB ASP 38 1HB ASP 38 6.911 10.729 3.331 302 2HB ASP 38 2HB ASP 38 7.926 11.163 1.910 303 H ASN 39 H ASN 39 7.733 9.553 0.015 304 HA ASN 39 HA ASN 39 7.139 6.915 0.952 305 1HB ASN 39 1HB ASN 39 9.241 6.214 -0.048 306 2HB ASN 39 2HB ASN 39 8.157 7.075 -1.183 307 1HD2 ASN 39 1HD2 ASN 39 10.924 6.682 -1.616 308 2HD2 ASN 39 2HD2 ASN 39 11.679 8.244 -1.651 309 H ASP 40 H ASP 40 7.469 6.152 2.897 310 HA ASP 40 HA ASP 40 8.626 7.870 4.803 311 1HB ASP 40 1HB ASP 40 6.515 6.513 5.084 312 2HB ASP 40 2HB ASP 40 7.496 5.030 5.101 313 H LYS 41 H LYS 41 9.237 4.357 4.626 314 HA LYS 41 HA LYS 41 11.559 4.800 6.193 315 1HB LYS 41 1HB LYS 41 10.156 2.299 5.130 316 2HB LYS 41 2HB LYS 41 11.496 2.261 6.320 317 1HG LYS 41 1HG LYS 41 10.134 3.452 7.992 318 2HG LYS 41 2HG LYS 41 8.870 3.773 6.762 319 1HD LYS 41 1HD LYS 41 9.172 0.970 6.652 320 2HD LYS 41 2HD LYS 41 9.258 1.327 8.399 321 1HE LYS 41 1HE LYS 41 7.085 2.376 6.449 322 2HE LYS 41 2HE LYS 41 6.898 0.905 7.491 323 1HZ LYS 41 1HZ LYS 41 7.156 3.749 8.355 324 2HZ LYS 41 2HZ LYS 41 7.370 2.434 9.414 325 3HZ LYS 41 3HZ LYS 41 5.905 2.646 8.617 326 H GLU 42 H GLU 42 13.176 5.636 4.902 327 HA GLU 42 HA GLU 42 13.863 4.505 2.401 328 1HB GLU 42 1HB GLU 42 13.836 6.893 3.176 329 2HB GLU 42 2HB GLU 42 15.304 6.559 4.136 330 1HG GLU 42 1HG GLU 42 16.478 5.886 1.933 331 2HG GLU 42 2HG GLU 42 14.986 6.374 1.048 332 H LYS 43 H LYS 43 13.900 2.511 4.018 333 HA LYS 43 HA LYS 43 16.403 1.397 3.365 334 1HB LYS 43 1HB LYS 43 16.887 2.355 5.698 335 2HB LYS 43 2HB LYS 43 15.716 1.184 6.343 336 1HG LYS 43 1HG LYS 43 17.172 -0.655 5.147 337 2HG LYS 43 2HG LYS 43 18.339 0.664 4.821 338 1HD LYS 43 1HD LYS 43 18.206 1.112 7.421 339 2HD LYS 43 2HD LYS 43 17.443 -0.506 7.508 340 1HE LYS 43 1HE LYS 43 19.549 -1.428 6.288 341 2HE LYS 43 2HE LYS 43 20.270 0.222 6.469 342 1HZ LYS 43 1HZ LYS 43 21.009 -0.894 8.324 343 2HZ LYS 43 2HZ LYS 43 19.555 -1.757 8.535 344 3HZ LYS 43 3HZ LYS 43 19.617 -0.149 8.954 345 HA PRO 44 HA PRO 44 13.189 -1.794 3.484 346 1HB PRO 44 1HB PRO 44 13.445 -2.707 0.905 347 2HB PRO 44 2HB PRO 44 12.378 -1.319 1.362 348 1HG PRO 44 1HG PRO 44 15.227 -1.156 0.221 349 2HG PRO 44 2HG PRO 44 13.743 -0.270 -0.336 350 1HD PRO 44 1HD PRO 44 15.606 0.817 1.426 351 2HD PRO 44 2HD PRO 44 13.827 1.205 1.550 352 H GLY 45 H GLY 45 13.915 -4.266 3.292 353 1HA GLY 45 1HA GLY 45 16.407 -4.173 4.597 354 2HA GLY 45 2HA GLY 45 15.367 -5.586 4.268 355 H ILE 46 H ILE 46 17.998 -6.120 4.206 356 HA ILE 46 HA ILE 46 19.168 -4.825 1.926 357 HB ILE 46 HB ILE 46 21.278 -5.488 2.700 358 1HG1 ILE 46 1HG1 ILE 46 19.831 -7.100 4.886 359 2HG1 ILE 46 2HG1 ILE 46 20.830 -7.757 3.548 360 1HG2 ILE 46 1HG2 ILE 46 19.522 -4.541 5.049 361 2HG2 ILE 46 2HG2 ILE 46 19.971 -3.505 3.636 362 3HG2 ILE 46 3HG2 ILE 46 21.244 -4.142 4.730 363 1HD1 ILE 46 1HD1 ILE 46 21.848 -6.000 5.864 364 2HD1 ILE 46 2HD1 ILE 46 22.837 -6.520 4.445 365 3HD1 ILE 46 3HD1 ILE 46 22.170 -7.742 5.581 366 H PHE 47 H PHE 47 18.448 -8.093 2.913 367 HA PHE 47 HA PHE 47 18.794 -9.028 0.157 368 1HB PHE 47 1HB PHE 47 18.698 -11.350 1.386 369 2HB PHE 47 2HB PHE 47 20.177 -10.350 1.490 370 HD1 PHE 47 HD1 PHE 47 21.168 -10.263 3.468 371 HD2 PHE 47 HD2 PHE 47 16.933 -10.663 3.426 372 HE1 PHE 47 HE1 PHE 47 21.134 -10.156 5.905 373 HE2 PHE 47 HE2 PHE 47 16.898 -10.533 5.858 374 HZ PHE 47 HZ PHE 47 18.994 -10.229 7.106 375 H ASN 48 H ASN 48 16.531 -7.353 1.281 376 HA ASN 48 HA ASN 48 14.542 -9.254 1.836 377 1HB ASN 48 1HB ASN 48 14.752 -7.138 3.012 378 2HB ASN 48 2HB ASN 48 14.051 -6.295 1.573 379 1HD2 ASN 48 1HD2 ASN 48 13.297 -7.666 4.547 380 2HD2 ASN 48 2HD2 ASN 48 11.600 -7.982 4.237 381 H MET 49 H MET 49 13.951 -10.455 -0.089 382 HA MET 49 HA MET 49 13.927 -9.222 -2.586 383 1HB MET 49 1HB MET 49 13.407 -11.271 -3.516 384 2HB MET 49 2HB MET 49 14.409 -11.644 -2.096 385 1HG MET 49 1HG MET 49 11.353 -11.917 -2.389 386 2HG MET 49 2HG MET 49 12.540 -13.226 -2.423 387 1HE MET 49 1HE MET 49 14.574 -12.736 -0.119 388 2HE MET 49 2HE MET 49 13.760 -14.222 -0.710 389 3HE MET 49 3HE MET 49 13.764 -13.844 1.040 390 H LYS 50 H LYS 50 11.504 -9.072 -0.205 391 HA LYS 50 HA LYS 50 9.430 -8.551 -2.218 392 1HB LYS 50 1HB LYS 50 9.492 -9.061 0.753 393 2HB LYS 50 2HB LYS 50 8.235 -7.960 0.139 394 1HG LYS 50 1HG LYS 50 7.265 -10.087 0.291 395 2HG LYS 50 2HG LYS 50 7.403 -9.663 -1.439 396 1HD LYS 50 1HD LYS 50 9.353 -11.191 -1.670 397 2HD LYS 50 2HD LYS 50 9.282 -11.554 0.090 398 1HE LYS 50 1HE LYS 50 7.000 -12.550 -0.186 399 2HE LYS 50 2HE LYS 50 7.030 -12.159 -1.949 400 1HZ LYS 50 1HZ LYS 50 8.964 -13.980 -0.570 401 2HZ LYS 50 2HZ LYS 50 8.869 -13.675 -2.232 402 3HZ LYS 50 3HZ LYS 50 7.614 -14.455 -1.439 403 H ASP 51 H ASP 51 10.822 -6.887 0.652 404 HA ASP 51 HA ASP 51 9.416 -4.585 0.132 405 1HB ASP 51 1HB ASP 51 11.844 -5.118 1.919 406 2HB ASP 51 2HB ASP 51 10.909 -3.573 1.927 407 H ARG 52 H ARG 52 12.667 -5.356 -1.017 408 HA ARG 52 HA ARG 52 13.494 -2.817 -1.666 409 1HB ARG 52 1HB ARG 52 13.908 -5.547 -2.963 410 2HB ARG 52 2HB ARG 52 14.776 -4.101 -3.544 411 1HG ARG 52 1HG ARG 52 14.915 -5.045 -0.625 412 2HG ARG 52 2HG ARG 52 15.988 -5.678 -1.889 413 1HD ARG 52 1HD ARG 52 15.779 -2.689 -1.145 414 2HD ARG 52 2HD ARG 52 17.045 -3.836 -0.526 415 HE ARG 52 HE ARG 52 17.205 -4.213 -3.261 416 1HH1 ARG 52 1HH1 ARG 52 17.726 -1.401 -1.087 417 2HH1 ARG 52 2HH1 ARG 52 18.583 -0.556 -2.353 418 1HH2 ARG 52 1HH2 ARG 52 18.176 -2.862 -4.888 419 2HH2 ARG 52 2HH2 ARG 52 18.723 -1.289 -4.461 420 H TYR 53 H TYR 53 11.194 -4.880 -3.347 421 HA TYR 53 HA TYR 53 11.119 -3.230 -5.698 422 1HB TYR 53 1HB TYR 53 9.469 -5.669 -4.797 423 2HB TYR 53 2HB TYR 53 9.338 -4.869 -6.406 424 HD1 TYR 53 HD1 TYR 53 11.527 -6.824 -4.180 425 HD2 TYR 53 HD2 TYR 53 11.061 -5.103 -8.031 426 HE1 TYR 53 HE1 TYR 53 13.538 -7.988 -4.930 427 HE2 TYR 53 HE2 TYR 53 13.039 -6.299 -8.811 428 HH TYR 53 HH TYR 53 15.118 -8.079 -6.549 429 H LYS 54 H LYS 54 8.981 -3.962 -2.941 430 HA LYS 54 HA LYS 54 6.868 -2.387 -3.723 431 1HB LYS 54 1HB LYS 54 7.599 -2.608 -0.786 432 2HB LYS 54 2HB LYS 54 5.997 -2.578 -1.560 433 1HG LYS 54 1HG LYS 54 8.003 -4.880 -1.418 434 2HG LYS 54 2HG LYS 54 6.498 -4.685 -0.496 435 1HD LYS 54 1HD LYS 54 5.170 -4.890 -2.619 436 2HD LYS 54 2HD LYS 54 6.711 -5.184 -3.519 437 1HE LYS 54 1HE LYS 54 7.151 -7.191 -2.036 438 2HE LYS 54 2HE LYS 54 5.555 -6.918 -1.235 439 1HZ LYS 54 1HZ LYS 54 5.294 -8.548 -2.880 440 2HZ LYS 54 2HZ LYS 54 6.069 -7.641 -4.083 441 3HZ LYS 54 3HZ LYS 54 4.547 -7.204 -3.524 442 H TRP 55 H TRP 55 9.652 -1.518 -1.651 443 HA TRP 55 HA TRP 55 8.727 1.079 -1.220 444 1HB TRP 55 1HB TRP 55 10.325 -0.399 0.179 445 2HB TRP 55 2HB TRP 55 11.623 0.194 -0.903 446 HD1 TRP 55 HD1 TRP 55 9.384 1.281 2.079 447 HE1 TRP 55 HE1 TRP 55 9.350 3.821 2.237 448 HE3 TRP 55 HE3 TRP 55 12.767 2.353 -1.549 449 HZ2 TRP 55 HZ2 TRP 55 11.210 5.901 1.550 450 HZ3 TRP 55 HZ3 TRP 55 13.739 4.590 -1.615 451 HH2 TRP 55 HH2 TRP 55 12.991 6.335 -0.088 452 H GLU 56 H GLU 56 10.687 -0.268 -3.845 453 HA GLU 56 HA GLU 56 11.676 2.286 -4.634 454 1HB GLU 56 1HB GLU 56 12.903 0.212 -5.077 455 2HB GLU 56 2HB GLU 56 11.576 -0.377 -6.124 456 1HG GLU 56 1HG GLU 56 11.984 1.445 -7.752 457 2HG GLU 56 2HG GLU 56 13.151 2.238 -6.641 458 H ALA 57 H ALA 57 8.844 0.261 -5.496 459 HA ALA 57 HA ALA 57 8.013 2.003 -7.554 460 1HB ALA 57 1HB ALA 57 5.821 0.801 -7.295 461 2HB ALA 57 2HB ALA 57 6.423 0.073 -5.755 462 3HB ALA 57 3HB ALA 57 7.213 -0.339 -7.319 463 H TRP 58 H TRP 58 7.599 1.998 -4.068 464 HA TRP 58 HA TRP 58 5.714 4.032 -3.988 465 1HB TRP 58 1HB TRP 58 6.204 2.403 -2.135 466 2HB TRP 58 2HB TRP 58 7.754 3.249 -1.817 467 HD1 TRP 58 HD1 TRP 58 4.624 5.382 -2.442 468 HE1 TRP 58 HE1 TRP 58 3.843 6.313 -0.113 469 HE3 TRP 58 HE3 TRP 58 7.546 2.598 0.553 470 HZ2 TRP 58 HZ2 TRP 58 4.606 6.086 2.501 471 HZ3 TRP 58 HZ3 TRP 58 7.279 2.774 2.984 472 HH2 TRP 58 HH2 TRP 58 5.827 4.435 3.960 473 H GLU 59 H GLU 59 9.252 4.028 -3.953 474 HA GLU 59 HA GLU 59 9.716 6.725 -3.601 475 1HB GLU 59 1HB GLU 59 11.358 4.753 -3.500 476 2HB GLU 59 2HB GLU 59 11.397 4.806 -5.277 477 1HG GLU 59 1HG GLU 59 11.910 7.519 -4.427 478 2HG GLU 59 2HG GLU 59 12.755 6.488 -3.237 479 H ASN 60 H ASN 60 8.626 5.045 -6.502 480 HA ASN 60 HA ASN 60 9.197 7.280 -8.191 481 1HB ASN 60 1HB ASN 60 7.201 4.992 -8.557 482 2HB ASN 60 2HB ASN 60 7.707 6.153 -9.829 483 1HD2 ASN 60 1HD2 ASN 60 10.624 6.179 -8.939 484 2HD2 ASN 60 2HD2 ASN 60 11.217 4.647 -9.481 485 H LEU 61 H LEU 61 6.718 6.698 -5.844 486 HA LEU 61 HA LEU 61 5.072 8.826 -6.963 487 1HB LEU 61 1HB LEU 61 4.489 7.126 -4.515 488 2HB LEU 61 2HB LEU 61 3.346 8.065 -5.504 489 HG LEU 61 HG LEU 61 4.804 5.484 -6.301 490 1HD1 LEU 61 1HD1 LEU 61 2.459 4.589 -6.270 491 2HD1 LEU 61 2HD1 LEU 61 1.865 6.221 -5.740 492 3HD1 LEU 61 3HD1 LEU 61 2.950 5.264 -4.657 493 1HD2 LEU 61 1HD2 LEU 61 3.397 5.511 -8.365 494 2HD2 LEU 61 2HD2 LEU 61 4.515 6.922 -8.367 495 3HD2 LEU 61 3HD2 LEU 61 2.773 7.141 -7.933 496 H LYS 62 H LYS 62 7.676 8.712 -5.038 497 HA LYS 62 HA LYS 62 7.592 8.986 -2.708 498 1HB LYS 62 1HB LYS 62 9.626 10.317 -2.650 499 2HB LYS 62 2HB LYS 62 9.580 9.223 -4.036 500 1HG LYS 62 1HG LYS 62 8.514 11.617 -5.118 501 2HG LYS 62 2HG LYS 62 9.711 12.189 -3.918 502 1HD LYS 62 1HD LYS 62 11.285 10.346 -5.015 503 2HD LYS 62 2HD LYS 62 10.086 10.362 -6.340 504 1HE LYS 62 1HE LYS 62 10.517 12.924 -6.527 505 2HE LYS 62 2HE LYS 62 11.890 12.686 -5.369 506 1HZ LYS 62 1HZ LYS 62 11.475 11.371 -7.991 507 2HZ LYS 62 2HZ LYS 62 12.768 11.006 -6.959 508 3HZ LYS 62 3HZ LYS 62 12.621 12.556 -7.668 509 H GLY 63 H GLY 63 6.117 11.877 -4.110 510 1HA GLY 63 1HA GLY 63 5.020 12.245 -1.542 511 2HA GLY 63 2HA GLY 63 6.214 13.549 -1.922 512 H LYS 64 H LYS 64 4.242 11.922 -4.370 513 HA LYS 64 HA LYS 64 2.895 14.525 -4.760 514 1HB LYS 64 1HB LYS 64 4.744 13.695 -6.468 515 2HB LYS 64 2HB LYS 64 3.410 12.663 -7.089 516 1HG LYS 64 1HG LYS 64 1.967 14.671 -7.359 517 2HG LYS 64 2HG LYS 64 3.274 15.719 -6.731 518 1HD LYS 64 1HD LYS 64 3.467 13.958 -9.245 519 2HD LYS 64 2HD LYS 64 3.025 15.696 -9.243 520 1HE LYS 64 1HE LYS 64 5.253 16.316 -8.304 521 2HE LYS 64 2HE LYS 64 5.734 14.572 -8.256 522 1HZ LYS 64 1HZ LYS 64 6.581 15.650 -10.192 523 2HZ LYS 64 2HZ LYS 64 5.021 16.116 -10.700 524 3HZ LYS 64 3HZ LYS 64 5.453 14.481 -10.645 525 H SER 65 H SER 65 2.748 11.012 -5.444 526 HA SER 65 HA SER 65 0.100 11.233 -6.312 527 1HB SER 65 1HB SER 65 1.552 8.619 -5.786 528 2HB SER 65 2HB SER 65 0.298 8.950 -7.002 529 HG SER 65 HG SER 65 1.818 10.436 -7.958 530 H GLN 66 H GLN 66 0.295 11.858 -3.362 531 HA GLN 66 HA GLN 66 -1.262 9.901 -2.057 532 1HB GLN 66 1HB GLN 66 0.136 11.494 -0.853 533 2HB GLN 66 2HB GLN 66 -0.493 12.861 -1.847 534 1HG GLN 66 1HG GLN 66 -2.639 12.797 -0.869 535 2HG GLN 66 2HG GLN 66 -2.282 11.304 0.099 536 1HE2 GLN 66 1HE2 GLN 66 -0.675 11.529 1.872 537 2HE2 GLN 66 2HE2 GLN 66 -0.429 13.091 2.611 538 H GLU 67 H GLU 67 -1.581 12.508 -4.283 539 HA GLU 67 HA GLU 67 -4.338 13.070 -4.187 540 1HB GLU 67 1HB GLU 67 -2.062 13.483 -6.235 541 2HB GLU 67 2HB GLU 67 -3.739 14.072 -6.473 542 1HG GLU 67 1HG GLU 67 -3.242 15.153 -4.005 543 2HG GLU 67 2HG GLU 67 -1.562 15.135 -4.645 544 H ASP 68 H ASP 68 -2.230 11.020 -6.238 545 HA ASP 68 HA ASP 68 -4.526 9.945 -7.585 546 1HB ASP 68 1HB ASP 68 -1.527 9.212 -7.608 547 2HB ASP 68 2HB ASP 68 -2.759 8.366 -8.620 548 H ALA 69 H ALA 69 -2.256 8.660 -5.050 549 HA ALA 69 HA ALA 69 -3.133 6.305 -4.688 550 1HB ALA 69 1HB ALA 69 -2.759 8.379 -2.507 551 2HB ALA 69 2HB ALA 69 -1.531 7.266 -3.215 552 3HB ALA 69 3HB ALA 69 -2.854 6.597 -2.204 553 H GLU 70 H GLU 70 -5.004 8.920 -2.973 554 HA GLU 70 HA GLU 70 -7.109 7.407 -2.133 555 1HB GLU 70 1HB GLU 70 -8.450 9.474 -2.190 556 2HB GLU 70 2HB GLU 70 -6.893 9.546 -1.325 557 1HG GLU 70 1HG GLU 70 -5.806 10.812 -3.087 558 2HG GLU 70 2HG GLU 70 -7.133 10.473 -4.232 559 H LYS 71 H LYS 71 -6.959 8.724 -5.497 560 HA LYS 71 HA LYS 71 -9.706 7.906 -5.911 561 1HB LYS 71 1HB LYS 71 -7.597 9.288 -7.672 562 2HB LYS 71 2HB LYS 71 -9.304 9.074 -8.146 563 1HG LYS 71 1HG LYS 71 -10.081 10.691 -6.550 564 2HG LYS 71 2HG LYS 71 -8.535 10.676 -5.648 565 1HD LYS 71 1HD LYS 71 -7.364 11.438 -7.773 566 2HD LYS 71 2HD LYS 71 -8.970 11.690 -8.518 567 1HE LYS 71 1HE LYS 71 -8.216 13.858 -7.743 568 2HE LYS 71 2HE LYS 71 -9.482 13.351 -6.557 569 1HZ LYS 71 1HZ LYS 71 -7.893 12.915 -4.966 570 2HZ LYS 71 2HZ LYS 71 -7.132 14.196 -5.724 571 3HZ LYS 71 3HZ LYS 71 -6.663 12.618 -6.063 572 H GLU 72 H GLU 72 -6.435 6.863 -6.883 573 HA GLU 72 HA GLU 72 -7.673 5.067 -8.800 574 1HB GLU 72 1HB GLU 72 -4.755 5.370 -8.040 575 2HB GLU 72 2HB GLU 72 -5.430 4.439 -9.417 576 1HG GLU 72 1HG GLU 72 -5.411 7.492 -9.013 577 2HG GLU 72 2HG GLU 72 -4.515 6.535 -10.233 578 H TYR 73 H TYR 73 -6.644 4.991 -5.436 579 HA TYR 73 HA TYR 73 -6.155 2.275 -5.342 580 1HB TYR 73 1HB TYR 73 -5.534 3.979 -3.562 581 2HB TYR 73 2HB TYR 73 -7.256 3.985 -3.031 582 HD1 TYR 73 HD1 TYR 73 -7.746 2.404 -1.329 583 HD2 TYR 73 HD2 TYR 73 -4.372 1.787 -3.840 584 HE1 TYR 73 HE1 TYR 73 -6.980 0.598 0.133 585 HE2 TYR 73 HE2 TYR 73 -3.552 0.045 -2.341 586 HH TYR 73 HH TYR 73 -3.888 -1.111 -0.566 587 H ILE 74 H ILE 74 -9.210 4.045 -4.368 588 HA ILE 74 HA ILE 74 -10.852 2.059 -3.897 589 HB ILE 74 HB ILE 74 -11.469 4.281 -3.804 590 1HG1 ILE 74 1HG1 ILE 74 -13.192 2.901 -5.977 591 2HG1 ILE 74 2HG1 ILE 74 -13.300 2.594 -4.223 592 1HG2 ILE 74 1HG2 ILE 74 -11.302 4.523 -6.860 593 2HG2 ILE 74 2HG2 ILE 74 -10.145 5.221 -5.653 594 3HG2 ILE 74 3HG2 ILE 74 -11.832 5.777 -5.698 595 1HD1 ILE 74 1HD1 ILE 74 -13.869 5.131 -3.957 596 2HD1 ILE 74 2HD1 ILE 74 -15.088 4.120 -4.812 597 3HD1 ILE 74 3HD1 ILE 74 -13.992 5.188 -5.753 598 H ALA 75 H ALA 75 -10.054 2.946 -7.281 599 HA ALA 75 HA ALA 75 -11.700 0.882 -8.274 600 1HB ALA 75 1HB ALA 75 -9.429 2.482 -9.606 601 2HB ALA 75 2HB ALA 75 -11.166 2.938 -9.580 602 3HB ALA 75 3HB ALA 75 -10.642 1.482 -10.491 603 H LEU 76 H LEU 76 -8.268 0.856 -7.416 604 HA LEU 76 HA LEU 76 -7.748 -1.683 -8.561 605 1HB LEU 76 1HB LEU 76 -6.571 -0.372 -6.043 606 2HB LEU 76 2HB LEU 76 -5.925 -1.850 -6.817 607 HG LEU 76 HG LEU 76 -6.008 0.903 -8.154 608 1HD1 LEU 76 1HD1 LEU 76 -3.668 -0.573 -6.788 609 2HD1 LEU 76 2HD1 LEU 76 -4.645 0.713 -6.004 610 3HD1 LEU 76 3HD1 LEU 76 -3.665 1.095 -7.489 611 1HD2 LEU 76 1HD2 LEU 76 -4.540 -1.722 -8.891 612 2HD2 LEU 76 2HD2 LEU 76 -4.309 -0.130 -9.704 613 3HD2 LEU 76 3HD2 LEU 76 -5.898 -0.968 -9.813 614 H VAL 77 H VAL 77 -8.807 -0.649 -5.299 615 HA VAL 77 HA VAL 77 -8.615 -3.237 -4.191 616 HB VAL 77 HB VAL 77 -9.575 -0.560 -3.265 617 1HG1 VAL 77 1HG1 VAL 77 -9.654 -3.300 -1.830 618 2HG1 VAL 77 2HG1 VAL 77 -11.000 -2.104 -1.992 619 3HG1 VAL 77 3HG1 VAL 77 -9.566 -1.728 -0.958 620 1HG2 VAL 77 1HG2 VAL 77 -7.260 -2.559 -2.727 621 2HG2 VAL 77 2HG2 VAL 77 -7.508 -1.080 -1.755 622 3HG2 VAL 77 3HG2 VAL 77 -7.092 -0.934 -3.504 623 H ASP 78 H ASP 78 -11.223 -1.525 -5.901 624 HA ASP 78 HA ASP 78 -13.160 -3.426 -5.188 625 1HB ASP 78 1HB ASP 78 -12.658 -1.477 -7.456 626 2HB ASP 78 2HB ASP 78 -13.964 -2.717 -7.677 627 H GLN 79 H GLN 79 -10.671 -3.503 -7.721 628 HA GLN 79 HA GLN 79 -11.555 -5.982 -8.781 629 1HB GLN 79 1HB GLN 79 -8.900 -4.497 -9.045 630 2HB GLN 79 2HB GLN 79 -9.385 -5.915 -10.024 631 1HG GLN 79 1HG GLN 79 -11.254 -4.656 -11.038 632 2HG GLN 79 2HG GLN 79 -10.919 -3.244 -9.982 633 1HE2 GLN 79 1HE2 GLN 79 -10.336 -4.506 -13.075 634 2HE2 GLN 79 2HE2 GLN 79 -9.049 -3.398 -13.482 635 H LEU 80 H LEU 80 -9.742 -5.139 -6.008 636 HA LEU 80 HA LEU 80 -8.469 -7.718 -5.666 637 1HB LEU 80 1HB LEU 80 -8.626 -5.187 -4.017 638 2HB LEU 80 2HB LEU 80 -8.253 -6.742 -3.243 639 HG LEU 80 HG LEU 80 -6.456 -7.125 -5.012 640 1HD1 LEU 80 1HD1 LEU 80 -6.646 -4.082 -5.366 641 2HD1 LEU 80 2HD1 LEU 80 -7.005 -5.329 -6.624 642 3HD1 LEU 80 3HD1 LEU 80 -5.337 -5.173 -5.973 643 1HD2 LEU 80 1HD2 LEU 80 -6.064 -4.870 -2.940 644 2HD2 LEU 80 2HD2 LEU 80 -4.795 -5.973 -3.613 645 3HD2 LEU 80 3HD2 LEU 80 -6.097 -6.639 -2.569 646 H ILE 81 H ILE 81 -11.031 -5.857 -3.912 647 HA ILE 81 HA ILE 81 -11.445 -8.005 -2.188 648 HB ILE 81 HB ILE 81 -12.878 -5.484 -2.807 649 1HG1 ILE 81 1HG1 ILE 81 -11.054 -6.454 -0.529 650 2HG1 ILE 81 2HG1 ILE 81 -10.661 -5.248 -1.785 651 1HG2 ILE 81 1HG2 ILE 81 -14.215 -5.782 -0.662 652 2HG2 ILE 81 2HG2 ILE 81 -13.516 -7.424 -0.471 653 3HG2 ILE 81 3HG2 ILE 81 -14.631 -7.039 -1.843 654 1HD1 ILE 81 1HD1 ILE 81 -12.448 -3.709 -0.781 655 2HD1 ILE 81 2HD1 ILE 81 -11.075 -4.081 0.324 656 3HD1 ILE 81 3HD1 ILE 81 -12.651 -4.904 0.555 657 H ALA 82 H ALA 82 -13.066 -7.128 -5.205 658 HA ALA 82 HA ALA 82 -15.248 -8.774 -5.069 659 1HB ALA 82 1HB ALA 82 -13.369 -8.225 -7.445 660 2HB ALA 82 2HB ALA 82 -14.750 -7.198 -6.937 661 3HB ALA 82 3HB ALA 82 -15.058 -8.851 -7.575 662 H LYS 83 H LYS 83 -11.847 -9.720 -5.529 663 HA LYS 83 HA LYS 83 -12.599 -12.484 -5.981 664 1HB LYS 83 1HB LYS 83 -10.844 -11.214 -7.317 665 2HB LYS 83 2HB LYS 83 -9.850 -11.144 -5.837 666 1HG LYS 83 1HG LYS 83 -9.903 -13.701 -5.781 667 2HG LYS 83 2HG LYS 83 -10.800 -13.678 -7.326 668 1HD LYS 83 1HD LYS 83 -7.980 -12.550 -6.821 669 2HD LYS 83 2HD LYS 83 -8.367 -14.109 -7.613 670 1HE LYS 83 1HE LYS 83 -9.481 -12.853 -9.503 671 2HE LYS 83 2HE LYS 83 -9.042 -11.289 -8.707 672 1HZ LYS 83 1HZ LYS 83 -7.445 -11.898 -10.373 673 2HZ LYS 83 2HZ LYS 83 -7.105 -13.376 -9.618 674 3HZ LYS 83 3HZ LYS 83 -6.696 -11.930 -8.885 675 H TYR 84 H TYR 84 -11.199 -10.262 -3.583 676 HA TYR 84 HA TYR 84 -10.106 -12.499 -2.152 677 1HB TYR 84 1HB TYR 84 -9.699 -9.464 -1.963 678 2HB TYR 84 2HB TYR 84 -8.823 -10.661 -0.969 679 HD1 TYR 84 HD1 TYR 84 -7.545 -8.657 -2.564 680 HD2 TYR 84 HD2 TYR 84 -8.618 -12.634 -3.597 681 HE1 TYR 84 HE1 TYR 84 -5.659 -8.769 -4.104 682 HE2 TYR 84 HE2 TYR 84 -6.687 -12.779 -5.060 683 HH TYR 84 HH TYR 84 -4.805 -9.902 -5.839 684 H SER 85 H SER 85 -12.871 -10.483 -1.654 685 HA SER 85 HA SER 85 -12.807 -10.242 1.031 686 1HB SER 85 1HB SER 85 -14.541 -9.389 -0.730 687 2HB SER 85 2HB SER 85 -15.455 -10.870 -0.331 688 HG SER 85 HG SER 85 -16.014 -9.088 0.950 689 H SER 86 H SER 86 -14.302 -13.044 -0.660 690 HA SER 86 HA SER 86 -13.341 -14.725 1.368 691 1HB SER 86 1HB SER 86 -15.365 -13.826 2.583 692 2HB SER 86 2HB SER 86 -16.396 -14.428 1.251 693 HG SER 86 HG SER 86 -16.168 -15.776 3.167 Start of MODEL 14 1 1H VAL 1 1H VAL 1 -10.738 9.426 -2.725 2 2H VAL 1 2H VAL 1 -9.853 10.858 -2.877 3 3H VAL 1 3H VAL 1 -11.531 10.886 -2.871 4 HA VAL 1 HA VAL 1 -10.097 11.488 -0.810 5 HB VAL 1 HB VAL 1 -12.463 11.748 -1.073 6 1HG1 VAL 1 1HG1 VAL 1 -12.741 8.928 0.143 7 2HG1 VAL 1 2HG1 VAL 1 -13.090 9.340 -1.582 8 3HG1 VAL 1 3HG1 VAL 1 -14.047 10.081 -0.254 9 1HG2 VAL 1 1HG2 VAL 1 -12.978 11.809 1.303 10 2HG2 VAL 1 2HG2 VAL 1 -11.280 12.335 1.047 11 3HG2 VAL 1 3HG2 VAL 1 -11.643 10.682 1.695 12 H SER 2 H SER 2 -8.645 10.821 0.590 13 HA SER 2 HA SER 2 -7.646 8.348 0.796 14 1HB SER 2 1HB SER 2 -6.557 9.258 2.896 15 2HB SER 2 2HB SER 2 -6.328 10.236 1.405 16 HG SER 2 HG SER 2 -7.490 11.781 2.215 17 H GLN 3 H GLN 3 -10.210 9.777 2.745 18 HA GLN 3 HA GLN 3 -10.266 7.900 4.679 19 1HB GLN 3 1HB GLN 3 -11.574 9.999 4.621 20 2HB GLN 3 2HB GLN 3 -12.693 9.281 3.428 21 1HG GLN 3 1HG GLN 3 -13.456 7.609 5.147 22 2HG GLN 3 2HG GLN 3 -12.221 8.225 6.301 23 1HE2 GLN 3 1HE2 GLN 3 -14.752 9.714 4.146 24 2HE2 GLN 3 2HE2 GLN 3 -15.329 10.823 5.363 25 H LEU 4 H LEU 4 -11.574 7.571 1.423 26 HA LEU 4 HA LEU 4 -13.062 5.234 1.807 27 1HB LEU 4 1HB LEU 4 -13.099 6.803 -0.283 28 2HB LEU 4 2HB LEU 4 -11.509 6.088 -0.758 29 HG LEU 4 HG LEU 4 -12.326 3.959 -0.999 30 1HD1 LEU 4 1HD1 LEU 4 -15.095 4.962 -0.037 31 2HD1 LEU 4 2HD1 LEU 4 -14.082 3.675 0.728 32 3HD1 LEU 4 3HD1 LEU 4 -14.831 3.393 -0.878 33 1HD2 LEU 4 1HD2 LEU 4 -14.187 6.144 -2.224 34 2HD2 LEU 4 2HD2 LEU 4 -14.107 4.476 -2.871 35 3HD2 LEU 4 3HD2 LEU 4 -12.642 5.546 -2.927 36 H PHE 5 H PHE 5 -9.892 5.949 0.521 37 HA PHE 5 HA PHE 5 -8.807 3.495 0.101 38 1HB PHE 5 1HB PHE 5 -7.739 5.373 -0.821 39 2HB PHE 5 2HB PHE 5 -7.922 6.329 0.671 40 HD1 PHE 5 HD1 PHE 5 -5.700 4.320 -1.229 41 HD2 PHE 5 HD2 PHE 5 -6.483 5.840 2.647 42 HE1 PHE 5 HE1 PHE 5 -3.476 3.616 -0.521 43 HE2 PHE 5 HE2 PHE 5 -4.237 5.209 3.374 44 HZ PHE 5 HZ PHE 5 -2.757 4.021 1.839 45 H GLU 6 H GLU 6 -9.265 5.186 3.126 46 HA GLU 6 HA GLU 6 -7.589 3.299 4.537 47 1HB GLU 6 1HB GLU 6 -9.196 5.685 5.495 48 2HB GLU 6 2HB GLU 6 -8.459 4.515 6.637 49 1HG GLU 6 1HG GLU 6 -6.221 4.842 5.551 50 2HG GLU 6 2HG GLU 6 -6.941 6.146 4.528 51 H GLU 7 H GLU 7 -11.083 3.591 3.951 52 HA GLU 7 HA GLU 7 -11.741 1.512 5.745 53 1HB GLU 7 1HB GLU 7 -13.107 1.891 3.019 54 2HB GLU 7 2HB GLU 7 -13.733 1.105 4.498 55 1HG GLU 7 1HG GLU 7 -13.474 3.465 5.598 56 2HG GLU 7 2HG GLU 7 -13.217 4.051 3.903 57 H LYS 8 H LYS 8 -10.948 1.606 2.355 58 HA LYS 8 HA LYS 8 -11.240 -1.132 1.827 59 1HB LYS 8 1HB LYS 8 -10.570 1.393 0.430 60 2HB LYS 8 2HB LYS 8 -9.649 0.032 -0.230 61 1HG LYS 8 1HG LYS 8 -11.679 0.314 -1.502 62 2HG LYS 8 2HG LYS 8 -11.701 -1.254 -0.632 63 1HD LYS 8 1HD LYS 8 -13.250 -0.379 1.054 64 2HD LYS 8 2HD LYS 8 -13.254 1.234 0.271 65 1HE LYS 8 1HE LYS 8 -14.336 0.348 -1.747 66 2HE LYS 8 2HE LYS 8 -14.062 -1.358 -1.214 67 1HZ LYS 8 1HZ LYS 8 -16.346 -0.506 -0.834 68 2HZ LYS 8 2HZ LYS 8 -15.744 0.580 0.295 69 3HZ LYS 8 3HZ LYS 8 -15.567 -1.071 0.566 70 H ALA 9 H ALA 9 -8.261 0.831 2.438 71 HA ALA 9 HA ALA 9 -6.611 -1.151 1.572 72 1HB ALA 9 1HB ALA 9 -4.811 0.113 2.748 73 2HB ALA 9 2HB ALA 9 -6.049 1.105 3.635 74 3HB ALA 9 3HB ALA 9 -5.870 1.255 1.857 75 H LYS 10 H LYS 10 -7.628 -0.225 4.796 76 HA LYS 10 HA LYS 10 -6.130 -2.108 6.247 77 1HB LYS 10 1HB LYS 10 -8.434 -0.228 6.589 78 2HB LYS 10 2HB LYS 10 -8.175 -1.435 7.905 79 1HG LYS 10 1HG LYS 10 -6.005 0.521 6.917 80 2HG LYS 10 2HG LYS 10 -7.080 0.837 8.310 81 1HD LYS 10 1HD LYS 10 -6.241 -1.171 9.486 82 2HD LYS 10 2HD LYS 10 -5.206 -1.594 8.084 83 1HE LYS 10 1HE LYS 10 -3.901 0.531 8.382 84 2HE LYS 10 2HE LYS 10 -4.886 0.922 9.847 85 1HZ LYS 10 1HZ LYS 10 -2.716 -0.227 10.232 86 2HZ LYS 10 2HZ LYS 10 -3.342 -1.618 9.535 87 3HZ LYS 10 3HZ LYS 10 -4.060 -0.994 10.930 88 H ALA 11 H ALA 11 -9.014 -2.551 4.339 89 HA ALA 11 HA ALA 11 -9.591 -5.070 5.631 90 1HB ALA 11 1HB ALA 11 -10.518 -3.923 2.914 91 2HB ALA 11 2HB ALA 11 -11.425 -3.778 4.460 92 3HB ALA 11 3HB ALA 11 -11.167 -5.393 3.706 93 H VAL 12 H VAL 12 -8.065 -4.057 2.452 94 HA VAL 12 HA VAL 12 -7.704 -6.704 1.769 95 HB VAL 12 HB VAL 12 -6.352 -5.897 -0.092 96 1HG1 VAL 12 1HG1 VAL 12 -8.185 -4.853 -1.181 97 2HG1 VAL 12 2HG1 VAL 12 -8.958 -4.360 0.380 98 3HG1 VAL 12 3HG1 VAL 12 -8.827 -6.108 -0.070 99 1HG2 VAL 12 1HG2 VAL 12 -6.817 -3.096 1.119 100 2HG2 VAL 12 2HG2 VAL 12 -6.057 -3.462 -0.455 101 3HG2 VAL 12 3HG2 VAL 12 -5.210 -3.903 1.054 102 H ASN 13 H ASN 13 -5.718 -4.636 3.717 103 HA ASN 13 HA ASN 13 -3.401 -6.280 3.450 104 1HB ASN 13 1HB ASN 13 -4.306 -4.043 5.349 105 2HB ASN 13 2HB ASN 13 -2.826 -4.989 5.732 106 1HD2 ASN 13 1HD2 ASN 13 -4.234 -2.744 3.292 107 2HD2 ASN 13 2HD2 ASN 13 -2.685 -2.306 2.620 108 H GLU 14 H GLU 14 -6.301 -6.930 4.951 109 HA GLU 14 HA GLU 14 -5.059 -9.098 6.395 110 1HB GLU 14 1HB GLU 14 -5.855 -8.656 8.570 111 2HB GLU 14 2HB GLU 14 -4.988 -7.190 8.010 112 1HG GLU 14 1HG GLU 14 -7.173 -6.067 7.527 113 2HG GLU 14 2HG GLU 14 -8.059 -7.517 8.108 114 H LEU 15 H LEU 15 -6.911 -8.734 4.112 115 HA LEU 15 HA LEU 15 -9.322 -9.938 4.919 116 1HB LEU 15 1HB LEU 15 -8.148 -8.632 2.724 117 2HB LEU 15 2HB LEU 15 -8.327 -10.274 2.102 118 HG LEU 15 HG LEU 15 -10.758 -10.146 2.314 119 1HD1 LEU 15 1HD1 LEU 15 -10.363 -7.489 3.819 120 2HD1 LEU 15 2HD1 LEU 15 -11.138 -8.993 4.451 121 3HD1 LEU 15 3HD1 LEU 15 -11.923 -8.067 3.130 122 1HD2 LEU 15 1HD2 LEU 15 -9.825 -7.409 1.292 123 2HD2 LEU 15 2HD2 LEU 15 -11.226 -8.397 0.721 124 3HD2 LEU 15 3HD2 LEU 15 -9.543 -8.949 0.402 125 HA PRO 16 HA PRO 16 -7.721 -14.002 5.144 126 1HB PRO 16 1HB PRO 16 -9.596 -15.701 4.045 127 2HB PRO 16 2HB PRO 16 -9.897 -14.790 5.574 128 1HG PRO 16 1HG PRO 16 -10.940 -14.177 2.778 129 2HG PRO 16 2HG PRO 16 -11.759 -13.957 4.379 130 1HD PRO 16 1HD PRO 16 -10.311 -12.001 2.839 131 2HD PRO 16 2HD PRO 16 -10.825 -11.775 4.583 132 H THR 17 H THR 17 -8.791 -12.949 1.975 133 HA THR 17 HA THR 17 -6.917 -14.737 0.618 134 HB THR 17 HB THR 17 -9.193 -12.995 -0.418 135 HG1 THR 17 HG1 THR 17 -10.261 -14.895 -0.604 136 1HG2 THR 17 1HG2 THR 17 -7.553 -15.285 -1.771 137 2HG2 THR 17 2HG2 THR 17 -7.365 -13.525 -2.134 138 3HG2 THR 17 3HG2 THR 17 -8.920 -14.349 -2.498 139 H LYS 18 H LYS 18 -5.274 -13.500 1.634 140 HA LYS 18 HA LYS 18 -4.986 -10.801 1.370 141 1HB LYS 18 1HB LYS 18 -2.739 -12.858 1.632 142 2HB LYS 18 2HB LYS 18 -2.611 -11.111 2.003 143 1HG LYS 18 1HG LYS 18 -4.604 -11.531 3.662 144 2HG LYS 18 2HG LYS 18 -4.144 -13.248 3.544 145 1HD LYS 18 1HD LYS 18 -2.547 -10.835 4.554 146 2HD LYS 18 2HD LYS 18 -3.024 -12.293 5.463 147 1HE LYS 18 1HE LYS 18 -0.876 -12.173 3.224 148 2HE LYS 18 2HE LYS 18 -0.571 -12.188 4.997 149 1HZ LYS 18 1HZ LYS 18 -0.365 -14.346 3.877 150 2HZ LYS 18 2HZ LYS 18 -2.026 -14.384 3.580 151 3HZ LYS 18 3HZ LYS 18 -1.458 -14.360 5.161 152 HA PRO 19 HA PRO 19 -4.227 -9.894 -2.502 153 1HB PRO 19 1HB PRO 19 -1.875 -8.081 -1.911 154 2HB PRO 19 2HB PRO 19 -3.427 -7.695 -2.751 155 1HG PRO 19 1HG PRO 19 -3.071 -6.930 -0.104 156 2HG PRO 19 2HG PRO 19 -4.638 -7.682 -0.576 157 1HD PRO 19 1HD PRO 19 -2.176 -9.088 0.594 158 2HD PRO 19 2HD PRO 19 -3.895 -9.118 1.184 159 H SER 20 H SER 20 -3.056 -10.200 -4.587 160 HA SER 20 HA SER 20 -1.254 -12.381 -4.266 161 1HB SER 20 1HB SER 20 -3.205 -12.191 -5.927 162 2HB SER 20 2HB SER 20 -2.156 -11.120 -6.894 163 HG SER 20 HG SER 20 -1.866 -13.146 -7.623 164 H THR 21 H THR 21 0.530 -12.526 -6.086 165 HA THR 21 HA THR 21 2.574 -11.041 -5.070 166 HB THR 21 HB THR 21 2.528 -12.502 -7.732 167 HG1 THR 21 HG1 THR 21 3.407 -14.109 -6.512 168 1HG2 THR 21 1HG2 THR 21 5.017 -12.715 -7.295 169 2HG2 THR 21 2HG2 THR 21 4.867 -11.585 -5.903 170 3HG2 THR 21 3HG2 THR 21 4.553 -11.015 -7.589 171 H ASP 22 H ASP 22 1.172 -10.616 -8.360 172 HA ASP 22 HA ASP 22 2.787 -8.419 -8.998 173 1HB ASP 22 1HB ASP 22 1.132 -8.281 -10.948 174 2HB ASP 22 2HB ASP 22 1.923 -9.878 -10.738 175 H GLU 23 H GLU 23 -0.250 -8.761 -7.412 176 HA GLU 23 HA GLU 23 -1.126 -6.073 -7.673 177 1HB GLU 23 1HB GLU 23 -1.867 -8.362 -5.773 178 2HB GLU 23 2HB GLU 23 -2.755 -6.806 -5.845 179 1HG GLU 23 1HG GLU 23 -3.507 -7.190 -8.099 180 2HG GLU 23 2HG GLU 23 -2.379 -8.569 -8.348 181 H LEU 24 H LEU 24 0.169 -7.927 -4.831 182 HA LEU 24 HA LEU 24 0.232 -6.002 -3.031 183 1HB LEU 24 1HB LEU 24 0.596 -8.499 -2.928 184 2HB LEU 24 2HB LEU 24 2.261 -8.242 -3.510 185 HG LEU 24 HG LEU 24 2.764 -6.994 -1.373 186 1HD1 LEU 24 1HD1 LEU 24 -0.170 -7.655 -0.670 187 2HD1 LEU 24 2HD1 LEU 24 0.522 -6.001 -0.888 188 3HD1 LEU 24 3HD1 LEU 24 1.055 -7.025 0.497 189 1HD2 LEU 24 1HD2 LEU 24 2.562 -9.005 0.140 190 2HD2 LEU 24 2HD2 LEU 24 3.031 -9.494 -1.541 191 3HD2 LEU 24 3HD2 LEU 24 1.339 -9.713 -0.987 192 H LEU 25 H LEU 25 2.610 -6.287 -5.617 193 HA LEU 25 HA LEU 25 4.515 -4.503 -4.556 194 1HB LEU 25 1HB LEU 25 3.567 -5.190 -7.404 195 2HB LEU 25 2HB LEU 25 4.992 -4.142 -7.072 196 HG LEU 25 HG LEU 25 4.670 -7.099 -6.316 197 1HD1 LEU 25 1HD1 LEU 25 4.981 -6.645 -8.735 198 2HD1 LEU 25 2HD1 LEU 25 6.448 -7.433 -8.035 199 3HD1 LEU 25 3HD1 LEU 25 6.447 -5.656 -8.382 200 1HD2 LEU 25 1HD2 LEU 25 7.172 -6.868 -5.695 201 2HD2 LEU 25 2HD2 LEU 25 6.013 -6.073 -4.566 202 3HD2 LEU 25 3HD2 LEU 25 6.932 -5.078 -5.745 203 H GLU 26 H GLU 26 1.848 -3.916 -6.820 204 HA GLU 26 HA GLU 26 2.283 -1.080 -6.701 205 1HB GLU 26 1HB GLU 26 1.563 -2.270 -8.734 206 2HB GLU 26 2HB GLU 26 -0.006 -2.652 -7.984 207 1HG GLU 26 1HG GLU 26 -0.806 -0.458 -8.208 208 2HG GLU 26 2HG GLU 26 0.812 0.268 -7.931 209 H LEU 27 H LEU 27 0.027 -3.366 -5.251 210 HA LEU 27 HA LEU 27 -1.609 -1.447 -4.029 211 1HB LEU 27 1HB LEU 27 -1.143 -4.415 -3.718 212 2HB LEU 27 2HB LEU 27 -2.124 -3.561 -2.505 213 HG LEU 27 HG LEU 27 -3.460 -4.685 -4.245 214 1HD1 LEU 27 1HD1 LEU 27 -4.328 -2.759 -2.888 215 2HD1 LEU 27 2HD1 LEU 27 -5.085 -2.876 -4.521 216 3HD1 LEU 27 3HD1 LEU 27 -3.830 -1.626 -4.207 217 1HD2 LEU 27 1HD2 LEU 27 -2.154 -4.314 -6.325 218 2HD2 LEU 27 2HD2 LEU 27 -2.454 -2.541 -6.212 219 3HD2 LEU 27 3HD2 LEU 27 -3.824 -3.681 -6.467 220 H TYR 28 H TYR 28 1.459 -2.947 -2.909 221 HA TYR 28 HA TYR 28 1.456 -1.664 -0.429 222 1HB TYR 28 1HB TYR 28 3.054 -3.393 -0.876 223 2HB TYR 28 2HB TYR 28 3.683 -2.541 -2.318 224 HD1 TYR 28 HD1 TYR 28 4.311 -3.326 0.997 225 HD2 TYR 28 HD2 TYR 28 4.860 -0.205 -1.851 226 HE1 TYR 28 HE1 TYR 28 6.403 -2.697 2.048 227 HE2 TYR 28 HE2 TYR 28 6.784 0.542 -0.727 228 HH TYR 28 HH TYR 28 8.260 -1.468 1.863 229 H ALA 29 H ALA 29 2.822 -0.585 -3.620 230 HA ALA 29 HA ALA 29 3.864 1.732 -2.758 231 1HB ALA 29 1HB ALA 29 2.529 1.147 -5.470 232 2HB ALA 29 2HB ALA 29 4.220 0.732 -5.011 233 3HB ALA 29 3HB ALA 29 3.725 2.456 -5.148 234 H LEU 30 H LEU 30 0.557 1.413 -4.110 235 HA LEU 30 HA LEU 30 -0.160 4.042 -3.508 236 1HB LEU 30 1HB LEU 30 -1.733 1.487 -4.042 237 2HB LEU 30 2HB LEU 30 -2.555 3.006 -3.555 238 HG LEU 30 HG LEU 30 -1.012 4.085 -5.493 239 1HD1 LEU 30 1HD1 LEU 30 -1.653 1.199 -6.417 240 2HD1 LEU 30 2HD1 LEU 30 0.004 1.923 -6.326 241 3HD1 LEU 30 3HD1 LEU 30 -1.203 2.540 -7.532 242 1HD2 LEU 30 1HD2 LEU 30 -3.365 4.280 -5.028 243 2HD2 LEU 30 2HD2 LEU 30 -3.706 2.698 -5.865 244 3HD2 LEU 30 3HD2 LEU 30 -3.019 4.101 -6.812 245 H TYR 31 H TYR 31 -0.522 1.104 -1.478 246 HA TYR 31 HA TYR 31 -2.099 2.327 0.461 247 1HB TYR 31 1HB TYR 31 -2.026 -0.024 0.342 248 2HB TYR 31 2HB TYR 31 -0.252 -0.060 0.667 249 HD1 TYR 31 HD1 TYR 31 0.310 -0.518 2.768 250 HD2 TYR 31 HD2 TYR 31 -3.295 1.677 2.205 251 HE1 TYR 31 HE1 TYR 31 -0.041 -0.450 5.182 252 HE2 TYR 31 HE2 TYR 31 -3.699 1.690 4.546 253 HH TYR 31 HH TYR 31 -1.466 0.109 6.856 254 H LYS 32 H LYS 32 1.462 1.754 0.429 255 HA LYS 32 HA LYS 32 2.120 3.338 2.609 256 1HB LYS 32 1HB LYS 32 3.707 2.667 0.094 257 2HB LYS 32 2HB LYS 32 4.425 3.383 1.544 258 1HG LYS 32 1HG LYS 32 3.120 0.606 1.310 259 2HG LYS 32 2HG LYS 32 4.842 1.023 1.475 260 1HD LYS 32 1HD LYS 32 2.657 1.221 3.612 261 2HD LYS 32 2HD LYS 32 4.131 0.209 3.564 262 1HE LYS 32 1HE LYS 32 5.464 2.448 3.500 263 2HE LYS 32 2HE LYS 32 3.907 3.259 3.984 264 1HZ LYS 32 1HZ LYS 32 5.269 2.754 5.903 265 2HZ LYS 32 2HZ LYS 32 5.387 1.131 5.463 266 3HZ LYS 32 3HZ LYS 32 3.906 1.759 5.963 267 H GLN 33 H GLN 33 1.573 4.343 -0.785 268 HA GLN 33 HA GLN 33 2.502 6.914 -0.533 269 1HB GLN 33 1HB GLN 33 0.559 5.475 -2.293 270 2HB GLN 33 2HB GLN 33 0.421 7.254 -2.282 271 1HG GLN 33 1HG GLN 33 2.158 7.624 -3.537 272 2HG GLN 33 2HG GLN 33 3.223 6.523 -2.629 273 1HE2 GLN 33 1HE2 GLN 33 0.340 6.362 -4.890 274 2HE2 GLN 33 2HE2 GLN 33 1.044 5.123 -5.904 275 H ALA 34 H ALA 34 -0.922 5.873 -0.094 276 HA ALA 34 HA ALA 34 -1.409 8.605 0.867 277 1HB ALA 34 1HB ALA 34 -3.299 6.446 -0.068 278 2HB ALA 34 2HB ALA 34 -3.018 8.093 -0.731 279 3HB ALA 34 3HB ALA 34 -3.868 7.905 0.838 280 H THR 35 H THR 35 -0.643 5.556 2.361 281 HA THR 35 HA THR 35 -1.899 6.162 4.766 282 HB THR 35 HB THR 35 0.583 4.560 4.151 283 HG1 THR 35 HG1 THR 35 -1.185 3.557 3.514 284 1HG2 THR 35 1HG2 THR 35 -0.980 5.030 6.780 285 2HG2 THR 35 2HG2 THR 35 0.786 5.322 6.511 286 3HG2 THR 35 3HG2 THR 35 0.142 3.638 6.493 287 H VAL 36 H VAL 36 1.606 6.617 3.856 288 HA VAL 36 HA VAL 36 1.792 8.469 6.075 289 HB VAL 36 HB VAL 36 4.259 8.460 5.437 290 1HG1 VAL 36 1HG1 VAL 36 2.840 5.960 6.555 291 2HG1 VAL 36 2HG1 VAL 36 3.244 7.454 7.488 292 3HG1 VAL 36 3HG1 VAL 36 4.556 6.425 6.810 293 1HG2 VAL 36 1HG2 VAL 36 3.872 7.260 3.173 294 2HG2 VAL 36 2HG2 VAL 36 3.353 5.802 4.108 295 3HG2 VAL 36 3HG2 VAL 36 5.009 6.413 4.281 296 H GLY 37 H GLY 37 1.670 8.650 2.561 297 1HA GLY 37 1HA GLY 37 1.040 10.443 1.476 298 2HA GLY 37 2HA GLY 37 1.392 11.494 2.886 299 H ASP 38 H ASP 38 4.186 9.992 2.688 300 HA ASP 38 HA ASP 38 5.294 11.471 0.421 301 1HB ASP 38 1HB ASP 38 6.370 11.389 3.327 302 2HB ASP 38 2HB ASP 38 7.223 12.152 1.940 303 H ASN 39 H ASN 39 7.389 10.389 -0.253 304 HA ASN 39 HA ASN 39 7.978 7.844 0.629 305 1HB ASN 39 1HB ASN 39 10.292 8.223 -0.118 306 2HB ASN 39 2HB ASN 39 9.039 8.622 -1.316 307 1HD2 ASN 39 1HD2 ASN 39 11.830 9.536 -1.276 308 2HD2 ASN 39 2HD2 ASN 39 11.743 11.270 -1.227 309 H ASP 40 H ASP 40 7.589 7.621 2.750 310 HA ASP 40 HA ASP 40 8.695 9.261 4.715 311 1HB ASP 40 1HB ASP 40 6.466 8.213 4.750 312 2HB ASP 40 2HB ASP 40 7.203 6.576 4.761 313 H LYS 41 H LYS 41 9.262 5.680 4.311 314 HA LYS 41 HA LYS 41 11.748 5.965 5.792 315 1HB LYS 41 1HB LYS 41 10.262 3.541 4.605 316 2HB LYS 41 2HB LYS 41 11.733 3.445 5.598 317 1HG LYS 41 1HG LYS 41 8.977 4.438 6.572 318 2HG LYS 41 2HG LYS 41 9.695 2.819 6.797 319 1HD LYS 41 1HD LYS 41 10.365 3.657 8.811 320 2HD LYS 41 2HD LYS 41 11.743 4.206 7.837 321 1HE LYS 41 1HE LYS 41 11.148 6.101 9.161 322 2HE LYS 41 2HE LYS 41 10.423 6.460 7.534 323 1HZ LYS 41 1HZ LYS 41 8.349 6.168 8.322 324 2HZ LYS 41 2HZ LYS 41 9.045 6.660 9.776 325 3HZ LYS 41 3HZ LYS 41 8.751 5.035 9.495 326 H GLU 42 H GLU 42 13.674 5.185 4.773 327 HA GLU 42 HA GLU 42 13.545 4.714 1.873 328 1HB GLU 42 1HB GLU 42 14.225 7.041 2.505 329 2HB GLU 42 2HB GLU 42 15.587 6.374 3.441 330 1HG GLU 42 1HG GLU 42 16.520 5.374 1.265 331 2HG GLU 42 2HG GLU 42 15.177 6.155 0.366 332 H LYS 43 H LYS 43 13.548 3.255 4.424 333 HA LYS 43 HA LYS 43 15.906 1.517 4.015 334 1HB LYS 43 1HB LYS 43 14.729 2.617 6.535 335 2HB LYS 43 2HB LYS 43 15.340 0.948 6.600 336 1HG LYS 43 1HG LYS 43 17.144 3.086 5.407 337 2HG LYS 43 2HG LYS 43 16.882 3.026 7.170 338 1HD LYS 43 1HD LYS 43 18.893 1.782 6.596 339 2HD LYS 43 2HD LYS 43 17.650 0.729 7.336 340 1HE LYS 43 1HE LYS 43 17.079 -0.207 5.073 341 2HE LYS 43 2HE LYS 43 18.317 0.872 4.317 342 1HZ LYS 43 1HZ LYS 43 19.031 -1.419 4.763 343 2HZ LYS 43 2HZ LYS 43 18.854 -1.181 6.411 344 3HZ LYS 43 3HZ LYS 43 20.017 -0.289 5.593 345 HA PRO 44 HA PRO 44 12.363 -1.275 3.824 346 1HB PRO 44 1HB PRO 44 13.023 -2.668 1.577 347 2HB PRO 44 2HB PRO 44 12.396 -0.965 1.488 348 1HG PRO 44 1HG PRO 44 15.342 -1.871 1.423 349 2HG PRO 44 2HG PRO 44 14.476 -0.822 0.217 350 1HD PRO 44 1HD PRO 44 15.922 0.172 2.408 351 2HD PRO 44 2HD PRO 44 14.470 1.037 1.721 352 H GLY 45 H GLY 45 12.906 -3.909 3.267 353 1HA GLY 45 1HA GLY 45 14.017 -4.724 5.639 354 2HA GLY 45 2HA GLY 45 13.624 -5.726 4.204 355 H ILE 46 H ILE 46 15.512 -6.727 5.721 356 HA ILE 46 HA ILE 46 18.043 -5.520 5.142 357 HB ILE 46 HB ILE 46 18.972 -7.060 6.699 358 1HG1 ILE 46 1HG1 ILE 46 16.153 -8.287 6.751 359 2HG1 ILE 46 2HG1 ILE 46 17.670 -9.092 6.257 360 1HG2 ILE 46 1HG2 ILE 46 16.304 -5.881 7.705 361 2HG2 ILE 46 2HG2 ILE 46 17.763 -4.888 7.322 362 3HG2 ILE 46 3HG2 ILE 46 17.821 -6.112 8.634 363 1HD1 ILE 46 1HD1 ILE 46 18.581 -8.819 8.599 364 2HD1 ILE 46 2HD1 ILE 46 17.115 -9.853 8.501 365 3HD1 ILE 46 3HD1 ILE 46 16.979 -8.169 9.116 366 H PHE 47 H PHE 47 16.555 -8.670 4.418 367 HA PHE 47 HA PHE 47 18.677 -9.437 2.658 368 1HB PHE 47 1HB PHE 47 16.966 -11.431 2.324 369 2HB PHE 47 2HB PHE 47 17.896 -11.236 3.841 370 HD1 PHE 47 HD1 PHE 47 16.800 -11.431 5.785 371 HD2 PHE 47 HD2 PHE 47 14.603 -10.088 2.400 372 HE1 PHE 47 HE1 PHE 47 14.792 -11.279 7.155 373 HE2 PHE 47 HE2 PHE 47 12.600 -9.891 3.783 374 HZ PHE 47 HZ PHE 47 12.688 -10.461 6.170 375 H ASN 48 H ASN 48 16.250 -7.367 2.407 376 HA ASN 48 HA ASN 48 14.462 -7.611 0.835 377 1HB ASN 48 1HB ASN 48 14.527 -5.351 0.013 378 2HB ASN 48 2HB ASN 48 15.031 -5.522 1.736 379 1HD2 ASN 48 1HD2 ASN 48 17.737 -6.513 0.643 380 2HD2 ASN 48 2HD2 ASN 48 18.577 -5.035 0.183 381 H MET 49 H MET 49 14.420 -9.344 -0.682 382 HA MET 49 HA MET 49 15.321 -8.492 -3.330 383 1HB MET 49 1HB MET 49 13.878 -11.019 -2.373 384 2HB MET 49 2HB MET 49 14.330 -10.656 -4.069 385 1HG MET 49 1HG MET 49 16.729 -10.598 -3.436 386 2HG MET 49 2HG MET 49 16.309 -10.938 -1.736 387 1HE MET 49 1HE MET 49 18.399 -12.464 -3.547 388 2HE MET 49 2HE MET 49 18.138 -14.132 -2.942 389 3HE MET 49 3HE MET 49 18.086 -12.746 -1.801 390 H LYS 50 H LYS 50 12.332 -9.426 -1.554 391 HA LYS 50 HA LYS 50 10.715 -8.396 -3.620 392 1HB LYS 50 1HB LYS 50 9.843 -9.090 -0.782 393 2HB LYS 50 2HB LYS 50 8.819 -8.901 -2.239 394 1HG LYS 50 1HG LYS 50 10.344 -10.839 -3.243 395 2HG LYS 50 2HG LYS 50 10.749 -11.137 -1.526 396 1HD LYS 50 1HD LYS 50 8.149 -11.082 -1.132 397 2HD LYS 50 2HD LYS 50 8.000 -11.226 -2.906 398 1HE LYS 50 1HE LYS 50 9.245 -13.248 -0.925 399 2HE LYS 50 2HE LYS 50 7.720 -13.416 -1.868 400 1HZ LYS 50 1HZ LYS 50 9.325 -13.218 -3.904 401 2HZ LYS 50 2HZ LYS 50 9.170 -14.645 -3.025 402 3HZ LYS 50 3HZ LYS 50 10.501 -13.637 -2.754 403 H ASP 51 H ASP 51 11.595 -7.007 -0.423 404 HA ASP 51 HA ASP 51 9.869 -4.879 -0.587 405 1HB ASP 51 1HB ASP 51 12.622 -4.838 0.762 406 2HB ASP 51 2HB ASP 51 11.237 -3.720 1.073 407 H ARG 52 H ARG 52 13.118 -5.103 -2.132 408 HA ARG 52 HA ARG 52 13.207 -2.315 -2.454 409 1HB ARG 52 1HB ARG 52 15.193 -2.624 -3.751 410 2HB ARG 52 2HB ARG 52 15.230 -3.570 -2.241 411 1HG ARG 52 1HG ARG 52 14.770 -5.654 -3.470 412 2HG ARG 52 2HG ARG 52 14.628 -4.749 -5.023 413 1HD ARG 52 1HD ARG 52 17.049 -3.952 -4.687 414 2HD ARG 52 2HD ARG 52 17.110 -4.987 -3.208 415 HE ARG 52 HE ARG 52 16.515 -6.056 -6.010 416 1HH1 ARG 52 1HH1 ARG 52 18.644 -6.187 -3.116 417 2HH1 ARG 52 2HH1 ARG 52 19.163 -7.807 -3.495 418 1HH2 ARG 52 1HH2 ARG 52 17.240 -8.266 -6.344 419 2HH2 ARG 52 2HH2 ARG 52 18.407 -8.900 -5.188 420 H TYR 53 H TYR 53 11.596 -4.760 -4.287 421 HA TYR 53 HA TYR 53 11.213 -3.045 -6.562 422 1HB TYR 53 1HB TYR 53 9.829 -5.624 -5.602 423 2HB TYR 53 2HB TYR 53 9.353 -4.741 -7.103 424 HD1 TYR 53 HD1 TYR 53 11.460 -7.266 -5.860 425 HD2 TYR 53 HD2 TYR 53 11.300 -4.096 -8.683 426 HE1 TYR 53 HE1 TYR 53 13.254 -8.324 -7.149 427 HE2 TYR 53 HE2 TYR 53 13.069 -5.152 -9.985 428 HH TYR 53 HH TYR 53 14.501 -6.838 -10.142 429 H LYS 54 H LYS 54 9.238 -4.018 -3.705 430 HA LYS 54 HA LYS 54 7.036 -2.473 -4.214 431 1HB LYS 54 1HB LYS 54 8.441 -3.328 -1.618 432 2HB LYS 54 2HB LYS 54 6.807 -2.610 -1.656 433 1HG LYS 54 1HG LYS 54 5.874 -4.457 -2.863 434 2HG LYS 54 2HG LYS 54 7.496 -5.207 -3.130 435 1HD LYS 54 1HD LYS 54 7.829 -5.590 -0.799 436 2HD LYS 54 2HD LYS 54 6.384 -4.629 -0.334 437 1HE LYS 54 1HE LYS 54 4.884 -6.343 -1.452 438 2HE LYS 54 2HE LYS 54 6.352 -7.333 -1.843 439 1HZ LYS 54 1HZ LYS 54 5.484 -8.176 0.156 440 2HZ LYS 54 2HZ LYS 54 5.295 -6.651 0.874 441 3HZ LYS 54 3HZ LYS 54 6.827 -7.291 0.591 442 H TRP 55 H TRP 55 9.904 -1.620 -2.234 443 HA TRP 55 HA TRP 55 8.930 0.885 -1.561 444 1HB TRP 55 1HB TRP 55 10.655 -0.506 -0.342 445 2HB TRP 55 2HB TRP 55 11.859 0.014 -1.565 446 HD1 TRP 55 HD1 TRP 55 9.877 1.355 1.545 447 HE1 TRP 55 HE1 TRP 55 10.011 3.898 1.565 448 HE3 TRP 55 HE3 TRP 55 12.974 2.071 -2.443 449 HZ2 TRP 55 HZ2 TRP 55 11.652 5.893 0.419 450 HZ3 TRP 55 HZ3 TRP 55 13.697 4.376 -2.950 451 HH2 TRP 55 HH2 TRP 55 13.159 6.207 -1.488 452 H GLU 56 H GLU 56 10.912 -0.115 -4.385 453 HA GLU 56 HA GLU 56 11.453 2.600 -5.051 454 1HB GLU 56 1HB GLU 56 12.925 0.683 -5.661 455 2HB GLU 56 2HB GLU 56 11.660 0.100 -6.782 456 1HG GLU 56 1HG GLU 56 11.827 2.303 -8.050 457 2HG GLU 56 2HG GLU 56 13.112 2.850 -6.914 458 H ALA 57 H ALA 57 8.867 0.272 -5.850 459 HA ALA 57 HA ALA 57 7.771 1.795 -7.914 460 1HB ALA 57 1HB ALA 57 7.265 -0.624 -7.523 461 2HB ALA 57 2HB ALA 57 5.752 0.347 -7.507 462 3HB ALA 57 3HB ALA 57 6.487 -0.211 -5.956 463 H TRP 58 H TRP 58 7.743 2.079 -4.497 464 HA TRP 58 HA TRP 58 5.457 3.736 -4.263 465 1HB TRP 58 1HB TRP 58 6.049 2.122 -2.483 466 2HB TRP 58 2HB TRP 58 7.661 2.880 -2.278 467 HD1 TRP 58 HD1 TRP 58 4.462 4.926 -2.536 468 HE1 TRP 58 HE1 TRP 58 4.268 6.356 -0.347 469 HE3 TRP 58 HE3 TRP 58 7.906 2.496 0.195 470 HZ2 TRP 58 HZ2 TRP 58 5.486 6.359 2.140 471 HZ3 TRP 58 HZ3 TRP 58 8.114 3.009 2.581 472 HH2 TRP 58 HH2 TRP 58 6.888 4.861 3.577 473 H GLU 59 H GLU 59 9.019 4.089 -3.982 474 HA GLU 59 HA GLU 59 9.106 6.778 -3.492 475 1HB GLU 59 1HB GLU 59 11.254 6.522 -3.291 476 2HB GLU 59 2HB GLU 59 10.796 4.807 -3.342 477 1HG GLU 59 1HG GLU 59 12.530 4.669 -4.723 478 2HG GLU 59 2HG GLU 59 11.346 5.087 -6.003 479 H ASN 60 H ASN 60 8.350 5.219 -6.449 480 HA ASN 60 HA ASN 60 9.094 7.383 -8.167 481 1HB ASN 60 1HB ASN 60 7.569 4.796 -8.265 482 2HB ASN 60 2HB ASN 60 7.090 6.011 -9.515 483 1HD2 ASN 60 1HD2 ASN 60 9.800 3.967 -8.332 484 2HD2 ASN 60 2HD2 ASN 60 10.729 4.117 -9.789 485 H LEU 61 H LEU 61 6.439 6.970 -5.943 486 HA LEU 61 HA LEU 61 5.194 9.334 -7.179 487 1HB LEU 61 1HB LEU 61 3.960 6.813 -6.189 488 2HB LEU 61 2HB LEU 61 3.177 8.287 -5.586 489 HG LEU 61 HG LEU 61 3.293 9.156 -8.047 490 1HD1 LEU 61 1HD1 LEU 61 3.026 7.296 -9.740 491 2HD1 LEU 61 2HD1 LEU 61 3.487 6.105 -8.452 492 3HD1 LEU 61 3HD1 LEU 61 4.676 7.347 -9.006 493 1HD2 LEU 61 1HD2 LEU 61 1.234 8.587 -6.654 494 2HD2 LEU 61 2HD2 LEU 61 1.295 6.924 -7.368 495 3HD2 LEU 61 3HD2 LEU 61 1.050 8.356 -8.432 496 H LYS 62 H LYS 62 7.298 8.829 -5.025 497 HA LYS 62 HA LYS 62 6.888 9.477 -2.632 498 1HB LYS 62 1HB LYS 62 9.035 10.977 -2.850 499 2HB LYS 62 2HB LYS 62 9.052 9.272 -3.376 500 1HG LYS 62 1HG LYS 62 10.265 10.400 -4.904 501 2HG LYS 62 2HG LYS 62 8.738 10.022 -5.781 502 1HD LYS 62 1HD LYS 62 7.978 12.198 -5.755 503 2HD LYS 62 2HD LYS 62 9.206 12.762 -4.552 504 1HE LYS 62 1HE LYS 62 9.647 11.966 -7.514 505 2HE LYS 62 2HE LYS 62 9.873 13.598 -6.775 506 1HZ LYS 62 1HZ LYS 62 11.497 11.143 -6.350 507 2HZ LYS 62 2HZ LYS 62 11.682 12.528 -5.407 508 3HZ LYS 62 3HZ LYS 62 11.975 12.554 -7.082 509 H GLY 63 H GLY 63 6.158 12.051 -4.906 510 1HA GLY 63 1HA GLY 63 5.897 13.961 -2.704 511 2HA GLY 63 2HA GLY 63 6.033 14.278 -4.469 512 H LYS 64 H LYS 64 4.114 12.637 -5.517 513 HA LYS 64 HA LYS 64 1.853 14.315 -4.802 514 1HB LYS 64 1HB LYS 64 0.884 13.584 -6.902 515 2HB LYS 64 2HB LYS 64 2.612 13.902 -7.220 516 1HG LYS 64 1HG LYS 64 3.088 11.421 -7.046 517 2HG LYS 64 2HG LYS 64 1.374 11.133 -6.651 518 1HD LYS 64 1HD LYS 64 1.371 10.622 -8.882 519 2HD LYS 64 2HD LYS 64 0.779 12.309 -8.875 520 1HE LYS 64 1HE LYS 64 3.211 13.030 -9.476 521 2HE LYS 64 2HE LYS 64 3.599 11.267 -9.643 522 1HZ LYS 64 1HZ LYS 64 2.971 11.919 -11.767 523 2HZ LYS 64 2HZ LYS 64 1.736 12.944 -11.202 524 3HZ LYS 64 3HZ LYS 64 1.531 11.273 -11.174 525 H SER 65 H SER 65 2.890 11.420 -3.831 526 HA SER 65 HA SER 65 1.211 9.497 -3.890 527 1HB SER 65 1HB SER 65 2.521 10.883 -1.428 528 2HB SER 65 2HB SER 65 1.770 9.266 -1.219 529 HG SER 65 HG SER 65 3.861 9.778 -3.078 530 H GLN 66 H GLN 66 0.486 11.877 -1.317 531 HA GLN 66 HA GLN 66 -1.815 10.546 -0.593 532 1HB GLN 66 1HB GLN 66 -0.133 12.546 0.334 533 2HB GLN 66 2HB GLN 66 -1.595 13.482 -0.010 534 1HG GLN 66 1HG GLN 66 -2.962 11.875 1.396 535 2HG GLN 66 2HG GLN 66 -1.515 10.809 1.526 536 1HE2 GLN 66 1HE2 GLN 66 -1.250 10.797 3.727 537 2HE2 GLN 66 2HE2 GLN 66 -0.842 12.208 4.670 538 H GLU 67 H GLU 67 -1.400 12.527 -3.323 539 HA GLU 67 HA GLU 67 -4.198 13.326 -3.420 540 1HB GLU 67 1HB GLU 67 -1.920 13.862 -5.400 541 2HB GLU 67 2HB GLU 67 -3.580 14.536 -5.436 542 1HG GLU 67 1HG GLU 67 -3.128 15.722 -3.257 543 2HG GLU 67 2HG GLU 67 -1.447 15.089 -3.284 544 H ASP 68 H ASP 68 -1.787 11.205 -5.057 545 HA ASP 68 HA ASP 68 -3.869 10.543 -6.992 546 1HB ASP 68 1HB ASP 68 -1.108 11.186 -7.171 547 2HB ASP 68 2HB ASP 68 -1.075 9.398 -7.268 548 H ALA 69 H ALA 69 -1.991 8.904 -4.475 549 HA ALA 69 HA ALA 69 -2.722 6.373 -5.258 550 1HB ALA 69 1HB ALA 69 -2.292 5.715 -2.862 551 2HB ALA 69 2HB ALA 69 -2.123 7.478 -2.475 552 3HB ALA 69 3HB ALA 69 -1.005 6.699 -3.653 553 H GLU 70 H GLU 70 -4.436 8.430 -2.833 554 HA GLU 70 HA GLU 70 -6.508 6.890 -2.173 555 1HB GLU 70 1HB GLU 70 -7.836 8.806 -1.820 556 2HB GLU 70 2HB GLU 70 -6.185 8.920 -1.162 557 1HG GLU 70 1HG GLU 70 -5.529 10.644 -2.605 558 2HG GLU 70 2HG GLU 70 -6.548 10.031 -3.945 559 H LYS 71 H LYS 71 -6.412 8.463 -5.434 560 HA LYS 71 HA LYS 71 -9.162 7.661 -5.888 561 1HB LYS 71 1HB LYS 71 -7.013 9.055 -7.600 562 2HB LYS 71 2HB LYS 71 -8.720 8.871 -8.096 563 1HG LYS 71 1HG LYS 71 -9.495 10.455 -6.481 564 2HG LYS 71 2HG LYS 71 -7.984 10.352 -5.518 565 1HD LYS 71 1HD LYS 71 -6.668 11.288 -7.416 566 2HD LYS 71 2HD LYS 71 -8.167 11.437 -8.385 567 1HE LYS 71 1HE LYS 71 -7.546 13.626 -7.470 568 2HE LYS 71 2HE LYS 71 -9.086 13.089 -6.680 569 1HZ LYS 71 1HZ LYS 71 -7.264 14.030 -5.234 570 2HZ LYS 71 2HZ LYS 71 -6.406 12.592 -5.491 571 3HZ LYS 71 3HZ LYS 71 -7.901 12.533 -4.726 572 H GLU 72 H GLU 72 -5.899 6.730 -6.974 573 HA GLU 72 HA GLU 72 -6.980 4.922 -8.921 574 1HB GLU 72 1HB GLU 72 -4.260 5.470 -7.681 575 2HB GLU 72 2HB GLU 72 -4.486 4.188 -8.913 576 1HG GLU 72 1HG GLU 72 -5.173 7.184 -9.338 577 2HG GLU 72 2HG GLU 72 -3.626 6.408 -9.815 578 H TYR 73 H TYR 73 -6.137 4.768 -5.489 579 HA TYR 73 HA TYR 73 -5.708 2.052 -5.384 580 1HB TYR 73 1HB TYR 73 -5.056 3.783 -3.641 581 2HB TYR 73 2HB TYR 73 -6.778 3.900 -3.151 582 HD1 TYR 73 HD1 TYR 73 -7.473 2.446 -1.463 583 HD2 TYR 73 HD2 TYR 73 -4.053 1.422 -3.771 584 HE1 TYR 73 HE1 TYR 73 -6.953 0.638 0.090 585 HE2 TYR 73 HE2 TYR 73 -3.453 -0.317 -2.147 586 HH TYR 73 HH TYR 73 -4.018 -1.403 -0.260 587 H ILE 74 H ILE 74 -8.746 3.888 -4.652 588 HA ILE 74 HA ILE 74 -10.312 1.864 -3.876 589 HB ILE 74 HB ILE 74 -10.997 4.028 -3.759 590 1HG1 ILE 74 1HG1 ILE 74 -13.286 3.952 -4.771 591 2HG1 ILE 74 2HG1 ILE 74 -12.825 2.616 -5.832 592 1HG2 ILE 74 1HG2 ILE 74 -11.665 5.421 -5.701 593 2HG2 ILE 74 2HG2 ILE 74 -10.971 4.219 -6.824 594 3HG2 ILE 74 3HG2 ILE 74 -9.908 5.084 -5.637 595 1HD1 ILE 74 1HD1 ILE 74 -12.561 1.078 -3.885 596 2HD1 ILE 74 2HD1 ILE 74 -14.160 1.883 -3.815 597 3HD1 ILE 74 3HD1 ILE 74 -12.828 2.442 -2.738 598 H ALA 75 H ALA 75 -9.566 2.680 -7.271 599 HA ALA 75 HA ALA 75 -11.316 0.753 -8.328 600 1HB ALA 75 1HB ALA 75 -8.831 2.137 -9.532 601 2HB ALA 75 2HB ALA 75 -10.514 2.768 -9.589 602 3HB ALA 75 3HB ALA 75 -10.089 1.269 -10.487 603 H LEU 76 H LEU 76 -7.860 0.539 -7.576 604 HA LEU 76 HA LEU 76 -7.450 -2.021 -8.659 605 1HB LEU 76 1HB LEU 76 -6.196 -0.697 -6.182 606 2HB LEU 76 2HB LEU 76 -5.537 -2.143 -7.002 607 HG LEU 76 HG LEU 76 -5.786 0.614 -8.328 608 1HD1 LEU 76 1HD1 LEU 76 -4.367 0.496 -6.204 609 2HD1 LEU 76 2HD1 LEU 76 -3.444 0.935 -7.708 610 3HD1 LEU 76 3HD1 LEU 76 -3.341 -0.733 -7.014 611 1HD2 LEU 76 1HD2 LEU 76 -4.083 -0.348 -9.920 612 2HD2 LEU 76 2HD2 LEU 76 -5.634 -1.268 -9.971 613 3HD2 LEU 76 3HD2 LEU 76 -4.214 -1.941 -9.082 614 H VAL 77 H VAL 77 -8.494 -0.902 -5.461 615 HA VAL 77 HA VAL 77 -8.375 -3.476 -4.246 616 HB VAL 77 HB VAL 77 -9.184 -0.729 -3.357 617 1HG1 VAL 77 1HG1 VAL 77 -10.680 -2.241 -2.118 618 2HG1 VAL 77 2HG1 VAL 77 -9.258 -1.923 -1.038 619 3HG1 VAL 77 3HG1 VAL 77 -9.390 -3.473 -1.945 620 1HG2 VAL 77 1HG2 VAL 77 -6.741 -1.226 -3.658 621 2HG2 VAL 77 2HG2 VAL 77 -6.963 -2.821 -2.831 622 3HG2 VAL 77 3HG2 VAL 77 -7.136 -1.304 -1.894 623 H ASP 78 H ASP 78 -10.941 -1.624 -5.938 624 HA ASP 78 HA ASP 78 -12.981 -3.286 -5.072 625 1HB ASP 78 1HB ASP 78 -13.013 -1.069 -6.408 626 2HB ASP 78 2HB ASP 78 -12.685 -2.077 -7.872 627 H GLN 79 H GLN 79 -10.668 -3.617 -7.754 628 HA GLN 79 HA GLN 79 -11.612 -6.083 -8.693 629 1HB GLN 79 1HB GLN 79 -8.842 -4.815 -8.893 630 2HB GLN 79 2HB GLN 79 -9.389 -6.256 -9.798 631 1HG GLN 79 1HG GLN 79 -11.157 -4.888 -10.938 632 2HG GLN 79 2HG GLN 79 -10.625 -3.436 -10.028 633 1HE2 GLN 79 1HE2 GLN 79 -8.801 -6.065 -11.825 634 2HE2 GLN 79 2HE2 GLN 79 -7.977 -4.952 -12.857 635 H LEU 80 H LEU 80 -9.573 -5.279 -5.956 636 HA LEU 80 HA LEU 80 -8.593 -7.948 -5.517 637 1HB LEU 80 1HB LEU 80 -8.828 -5.547 -3.624 638 2HB LEU 80 2HB LEU 80 -8.131 -7.126 -3.233 639 HG LEU 80 HG LEU 80 -6.969 -4.883 -4.848 640 1HD1 LEU 80 1HD1 LEU 80 -6.358 -5.237 -2.484 641 2HD1 LEU 80 2HD1 LEU 80 -4.946 -5.692 -3.510 642 3HD1 LEU 80 3HD1 LEU 80 -5.979 -6.973 -2.796 643 1HD2 LEU 80 1HD2 LEU 80 -6.171 -7.806 -5.404 644 2HD2 LEU 80 2HD2 LEU 80 -5.224 -6.340 -5.844 645 3HD2 LEU 80 3HD2 LEU 80 -6.838 -6.613 -6.576 646 H ILE 81 H ILE 81 -11.036 -5.863 -3.887 647 HA ILE 81 HA ILE 81 -11.768 -7.882 -2.146 648 HB ILE 81 HB ILE 81 -12.850 -5.245 -2.965 649 1HG1 ILE 81 1HG1 ILE 81 -11.488 -6.304 -0.414 650 2HG1 ILE 81 2HG1 ILE 81 -10.736 -5.313 -1.698 651 1HG2 ILE 81 1HG2 ILE 81 -14.446 -5.299 -0.994 652 2HG2 ILE 81 2HG2 ILE 81 -13.977 -7.001 -0.664 653 3HG2 ILE 81 3HG2 ILE 81 -14.883 -6.559 -2.167 654 1HD1 ILE 81 1HD1 ILE 81 -12.929 -4.421 0.280 655 2HD1 ILE 81 2HD1 ILE 81 -12.412 -3.453 -1.149 656 3HD1 ILE 81 3HD1 ILE 81 -11.239 -3.836 0.168 657 H ALA 82 H ALA 82 -13.117 -6.995 -5.296 658 HA ALA 82 HA ALA 82 -15.430 -8.501 -5.193 659 1HB ALA 82 1HB ALA 82 -15.206 -8.573 -7.697 660 2HB ALA 82 2HB ALA 82 -13.497 -8.010 -7.536 661 3HB ALA 82 3HB ALA 82 -14.853 -6.941 -7.042 662 H LYS 83 H LYS 83 -12.093 -9.659 -5.457 663 HA LYS 83 HA LYS 83 -13.044 -12.395 -5.749 664 1HB LYS 83 1HB LYS 83 -10.269 -11.144 -5.554 665 2HB LYS 83 2HB LYS 83 -10.571 -12.905 -5.668 666 1HG LYS 83 1HG LYS 83 -11.316 -10.792 -7.777 667 2HG LYS 83 2HG LYS 83 -9.825 -11.763 -7.790 668 1HD LYS 83 1HD LYS 83 -12.673 -12.920 -7.950 669 2HD LYS 83 2HD LYS 83 -11.592 -12.563 -9.335 670 1HE LYS 83 1HE LYS 83 -9.896 -14.226 -8.358 671 2HE LYS 83 2HE LYS 83 -11.160 -14.708 -7.150 672 1HZ LYS 83 1HZ LYS 83 -11.214 -16.129 -9.154 673 2HZ LYS 83 2HZ LYS 83 -11.400 -14.782 -10.116 674 3HZ LYS 83 3HZ LYS 83 -12.628 -15.214 -9.036 675 H TYR 84 H TYR 84 -11.448 -10.132 -3.471 676 HA TYR 84 HA TYR 84 -10.685 -12.366 -1.891 677 1HB TYR 84 1HB TYR 84 -9.947 -9.393 -1.836 678 2HB TYR 84 2HB TYR 84 -9.178 -10.653 -0.827 679 HD1 TYR 84 HD1 TYR 84 -7.601 -8.956 -2.381 680 HD2 TYR 84 HD2 TYR 84 -9.435 -12.607 -3.559 681 HE1 TYR 84 HE1 TYR 84 -5.841 -9.306 -4.015 682 HE2 TYR 84 HE2 TYR 84 -7.675 -12.993 -5.151 683 HH TYR 84 HH TYR 84 -5.083 -10.699 -5.719 684 H SER 85 H SER 85 -13.213 -10.125 -1.555 685 HA SER 85 HA SER 85 -13.375 -9.644 1.071 686 1HB SER 85 1HB SER 85 -15.017 -8.915 -0.709 687 2HB SER 85 2HB SER 85 -15.791 -10.522 -0.595 688 HG SER 85 HG SER 85 -16.719 -8.830 0.716 689 H SER 86 H SER 86 -14.672 -12.623 -0.416 690 HA SER 86 HA SER 86 -13.537 -14.145 1.611 691 1HB SER 86 1HB SER 86 -16.593 -13.882 1.737 692 2HB SER 86 2HB SER 86 -15.728 -15.342 2.337 693 HG SER 86 HG SER 86 -14.926 -12.797 3.142 Start of MODEL 15 1 1H VAL 1 1H VAL 1 -12.915 10.364 -1.075 2 2H VAL 1 2H VAL 1 -12.924 8.855 -0.383 3 3H VAL 1 3H VAL 1 -13.106 9.018 -2.053 4 HA VAL 1 HA VAL 1 -11.048 8.468 -2.172 5 HB VAL 1 HB VAL 1 -9.530 10.448 -2.260 6 1HG1 VAL 1 1HG1 VAL 1 -12.234 10.552 -3.731 7 2HG1 VAL 1 2HG1 VAL 1 -10.817 9.522 -4.180 8 3HG1 VAL 1 3HG1 VAL 1 -10.691 11.317 -4.228 9 1HG2 VAL 1 1HG2 VAL 1 -10.470 12.649 -2.060 10 2HG2 VAL 1 2HG2 VAL 1 -10.815 11.865 -0.490 11 3HG2 VAL 1 3HG2 VAL 1 -12.120 12.055 -1.732 12 H SER 2 H SER 2 -9.612 10.657 0.254 13 HA SER 2 HA SER 2 -7.895 8.638 0.938 14 1HB SER 2 1HB SER 2 -8.504 11.345 2.196 15 2HB SER 2 2HB SER 2 -7.260 10.234 2.867 16 HG SER 2 HG SER 2 -7.303 11.261 0.234 17 H GLN 3 H GLN 3 -11.016 9.474 2.403 18 HA GLN 3 HA GLN 3 -10.404 7.987 4.735 19 1HB GLN 3 1HB GLN 3 -12.987 9.087 3.547 20 2HB GLN 3 2HB GLN 3 -12.989 8.161 5.067 21 1HG GLN 3 1HG GLN 3 -11.273 10.709 4.669 22 2HG GLN 3 2HG GLN 3 -12.952 10.708 5.295 23 1HE2 GLN 3 1HE2 GLN 3 -9.609 10.295 6.240 24 2HE2 GLN 3 2HE2 GLN 3 -9.935 9.608 7.804 25 H LEU 4 H LEU 4 -12.145 7.351 1.711 26 HA LEU 4 HA LEU 4 -13.140 4.843 2.275 27 1HB LEU 4 1HB LEU 4 -13.708 6.247 0.204 28 2HB LEU 4 2HB LEU 4 -12.050 5.878 -0.430 29 HG LEU 4 HG LEU 4 -12.451 3.605 -0.607 30 1HD1 LEU 4 1HD1 LEU 4 -14.764 2.546 -0.183 31 2HD1 LEU 4 2HD1 LEU 4 -15.245 4.052 0.670 32 3HD1 LEU 4 3HD1 LEU 4 -13.922 3.019 1.330 33 1HD2 LEU 4 1HD2 LEU 4 -13.324 5.163 -2.410 34 2HD2 LEU 4 2HD2 LEU 4 -14.936 5.187 -1.609 35 3HD2 LEU 4 3HD2 LEU 4 -14.333 3.651 -2.328 36 H PHE 5 H PHE 5 -10.162 5.968 0.822 37 HA PHE 5 HA PHE 5 -8.814 3.787 0.111 38 1HB PHE 5 1HB PHE 5 -8.023 5.995 -0.400 39 2HB PHE 5 2HB PHE 5 -8.200 6.513 1.308 40 HD1 PHE 5 HD1 PHE 5 -6.024 4.743 -1.055 41 HD2 PHE 5 HD2 PHE 5 -6.574 6.067 2.957 42 HE1 PHE 5 HE1 PHE 5 -3.779 3.981 -0.503 43 HE2 PHE 5 HE2 PHE 5 -4.311 5.330 3.520 44 HZ PHE 5 HZ PHE 5 -2.965 4.185 1.853 45 H GLU 6 H GLU 6 -9.342 4.895 3.392 46 HA GLU 6 HA GLU 6 -7.425 3.041 4.531 47 1HB GLU 6 1HB GLU 6 -9.548 4.855 5.754 48 2HB GLU 6 2HB GLU 6 -8.598 3.700 6.744 49 1HG GLU 6 1HG GLU 6 -6.494 4.719 6.128 50 2HG GLU 6 2HG GLU 6 -7.299 5.852 4.981 51 H GLU 7 H GLU 7 -10.982 3.295 4.288 52 HA GLU 7 HA GLU 7 -11.541 1.001 5.728 53 1HB GLU 7 1HB GLU 7 -13.215 1.703 3.279 54 2HB GLU 7 2HB GLU 7 -13.722 1.048 4.869 55 1HG GLU 7 1HG GLU 7 -13.120 3.392 5.841 56 2HG GLU 7 2HG GLU 7 -12.748 3.867 4.132 57 H LYS 8 H LYS 8 -10.885 1.456 2.332 58 HA LYS 8 HA LYS 8 -11.153 -1.179 1.401 59 1HB LYS 8 1HB LYS 8 -9.585 1.311 0.510 60 2HB LYS 8 2HB LYS 8 -9.621 -0.162 -0.475 61 1HG LYS 8 1HG LYS 8 -11.923 1.746 0.149 62 2HG LYS 8 2HG LYS 8 -11.135 1.382 -1.413 63 1HD LYS 8 1HD LYS 8 -12.138 -1.122 -0.732 64 2HD LYS 8 2HD LYS 8 -13.273 -0.046 0.138 65 1HE LYS 8 1HE LYS 8 -13.570 1.245 -2.110 66 2HE LYS 8 2HE LYS 8 -12.612 -0.064 -2.900 67 1HZ LYS 8 1HZ LYS 8 -14.373 -1.650 -2.055 68 2HZ LYS 8 2HZ LYS 8 -14.861 -0.522 -3.158 69 3HZ LYS 8 3HZ LYS 8 -15.237 -0.301 -1.511 70 H ALA 9 H ALA 9 -8.233 0.726 2.467 71 HA ALA 9 HA ALA 9 -6.537 -1.190 1.515 72 1HB ALA 9 1HB ALA 9 -4.811 0.026 2.905 73 2HB ALA 9 2HB ALA 9 -6.134 0.975 3.703 74 3HB ALA 9 3HB ALA 9 -5.810 1.168 1.945 75 H LYS 10 H LYS 10 -7.505 -0.445 4.799 76 HA LYS 10 HA LYS 10 -6.104 -2.457 6.140 77 1HB LYS 10 1HB LYS 10 -8.544 -0.729 6.636 78 2HB LYS 10 2HB LYS 10 -7.782 -1.771 7.942 79 1HG LYS 10 1HG LYS 10 -5.618 -0.459 7.539 80 2HG LYS 10 2HG LYS 10 -6.527 0.635 6.453 81 1HD LYS 10 1HD LYS 10 -8.125 1.129 8.363 82 2HD LYS 10 2HD LYS 10 -7.124 0.073 9.410 83 1HE LYS 10 1HE LYS 10 -5.125 1.655 8.899 84 2HE LYS 10 2HE LYS 10 -6.326 2.782 8.139 85 1HZ LYS 10 1HZ LYS 10 -7.574 2.622 10.287 86 2HZ LYS 10 2HZ LYS 10 -6.057 3.366 10.423 87 3HZ LYS 10 3HZ LYS 10 -6.277 1.754 10.925 88 H ALA 11 H ALA 11 -8.957 -2.669 4.199 89 HA ALA 11 HA ALA 11 -9.684 -5.250 5.285 90 1HB ALA 11 1HB ALA 11 -11.443 -3.872 4.178 91 2HB ALA 11 2HB ALA 11 -11.178 -5.437 3.329 92 3HB ALA 11 3HB ALA 11 -10.508 -3.917 2.642 93 H VAL 12 H VAL 12 -8.019 -4.074 2.205 94 HA VAL 12 HA VAL 12 -7.721 -6.718 1.442 95 HB VAL 12 HB VAL 12 -6.363 -5.873 -0.418 96 1HG1 VAL 12 1HG1 VAL 12 -9.003 -4.427 0.111 97 2HG1 VAL 12 2HG1 VAL 12 -8.821 -6.158 -0.374 98 3HG1 VAL 12 3HG1 VAL 12 -8.238 -4.856 -1.475 99 1HG2 VAL 12 1HG2 VAL 12 -6.884 -3.082 0.812 100 2HG2 VAL 12 2HG2 VAL 12 -6.090 -3.432 -0.745 101 3HG2 VAL 12 3HG2 VAL 12 -5.269 -3.860 0.780 102 H ASN 13 H ASN 13 -5.588 -4.701 3.353 103 HA ASN 13 HA ASN 13 -3.393 -6.499 2.913 104 1HB ASN 13 1HB ASN 13 -3.900 -4.390 5.088 105 2HB ASN 13 2HB ASN 13 -2.341 -5.269 4.870 106 1HD2 ASN 13 1HD2 ASN 13 -3.153 -2.327 4.606 107 2HD2 ASN 13 2HD2 ASN 13 -2.552 -1.857 3.042 108 H GLU 14 H GLU 14 -6.211 -6.777 4.661 109 HA GLU 14 HA GLU 14 -5.055 -8.440 6.782 110 1HB GLU 14 1HB GLU 14 -6.396 -6.379 7.345 111 2HB GLU 14 2HB GLU 14 -7.797 -7.114 6.533 112 1HG GLU 14 1HG GLU 14 -7.616 -9.067 8.265 113 2HG GLU 14 2HG GLU 14 -6.373 -8.067 9.101 114 H LEU 15 H LEU 15 -7.335 -8.466 4.108 115 HA LEU 15 HA LEU 15 -9.117 -10.234 4.731 116 1HB LEU 15 1HB LEU 15 -7.771 -9.263 2.242 117 2HB LEU 15 2HB LEU 15 -8.843 -10.647 1.983 118 HG LEU 15 HG LEU 15 -9.660 -7.938 3.138 119 1HD1 LEU 15 1HD1 LEU 15 -9.160 -8.060 0.646 120 2HD1 LEU 15 2HD1 LEU 15 -10.898 -7.703 1.027 121 3HD1 LEU 15 3HD1 LEU 15 -10.396 -9.352 0.498 122 1HD2 LEU 15 1HD2 LEU 15 -11.479 -10.347 2.552 123 2HD2 LEU 15 2HD2 LEU 15 -12.003 -8.689 2.995 124 3HD2 LEU 15 3HD2 LEU 15 -11.105 -9.684 4.195 125 HA PRO 16 HA PRO 16 -7.467 -14.178 4.848 126 1HB PRO 16 1HB PRO 16 -9.476 -15.858 4.067 127 2HB PRO 16 2HB PRO 16 -9.690 -14.758 5.490 128 1HG PRO 16 1HG PRO 16 -10.687 -14.294 2.616 129 2HG PRO 16 2HG PRO 16 -11.600 -14.086 4.166 130 1HD PRO 16 1HD PRO 16 -10.198 -12.056 2.763 131 2HD PRO 16 2HD PRO 16 -10.549 -11.967 4.558 132 H THR 17 H THR 17 -8.383 -12.921 1.770 133 HA THR 17 HA THR 17 -6.688 -14.928 0.425 134 HB THR 17 HB THR 17 -8.787 -13.082 -0.754 135 HG1 THR 17 HG1 THR 17 -9.838 -14.633 0.300 136 1HG2 THR 17 1HG2 THR 17 -7.240 -15.479 -1.998 137 2HG2 THR 17 2HG2 THR 17 -6.918 -13.727 -2.332 138 3HG2 THR 17 3HG2 THR 17 -8.489 -14.437 -2.805 139 H LYS 18 H LYS 18 -5.116 -13.656 1.622 140 HA LYS 18 HA LYS 18 -4.706 -11.018 1.332 141 1HB LYS 18 1HB LYS 18 -2.652 -13.251 1.684 142 2HB LYS 18 2HB LYS 18 -2.250 -11.512 1.854 143 1HG LYS 18 1HG LYS 18 -4.030 -11.270 3.585 144 2HG LYS 18 2HG LYS 18 -4.310 -13.034 3.560 145 1HD LYS 18 1HD LYS 18 -2.047 -13.474 4.378 146 2HD LYS 18 2HD LYS 18 -1.568 -11.764 4.112 147 1HE LYS 18 1HE LYS 18 -3.147 -10.974 5.849 148 2HE LYS 18 2HE LYS 18 -3.716 -12.662 6.151 149 1HZ LYS 18 1HZ LYS 18 -1.605 -13.232 7.055 150 2HZ LYS 18 2HZ LYS 18 -1.965 -11.692 7.661 151 3HZ LYS 18 3HZ LYS 18 -0.864 -11.854 6.420 152 HA PRO 19 HA PRO 19 -4.216 -10.125 -2.554 153 1HB PRO 19 1HB PRO 19 -1.887 -8.245 -2.134 154 2HB PRO 19 2HB PRO 19 -3.503 -7.915 -2.869 155 1HG PRO 19 1HG PRO 19 -2.961 -7.117 -0.270 156 2HG PRO 19 2HG PRO 19 -4.558 -7.864 -0.658 157 1HD PRO 19 1HD PRO 19 -2.059 -9.257 0.478 158 2HD PRO 19 2HD PRO 19 -3.770 -9.295 1.078 159 H SER 20 H SER 20 -3.244 -10.881 -4.607 160 HA SER 20 HA SER 20 -1.132 -12.653 -4.331 161 1HB SER 20 1HB SER 20 -2.272 -11.387 -6.869 162 2HB SER 20 2HB SER 20 -1.163 -12.801 -6.830 163 HG SER 20 HG SER 20 -3.352 -13.325 -6.998 164 H THR 21 H THR 21 0.918 -12.715 -5.423 165 HA THR 21 HA THR 21 2.608 -11.075 -4.418 166 HB THR 21 HB THR 21 3.111 -12.335 -7.128 167 HG1 THR 21 HG1 THR 21 2.866 -14.102 -6.202 168 1HG2 THR 21 1HG2 THR 21 5.397 -12.649 -6.186 169 2HG2 THR 21 2HG2 THR 21 4.920 -11.808 -4.667 170 3HG2 THR 21 3HG2 THR 21 5.005 -10.902 -6.232 171 H ASP 22 H ASP 22 1.746 -10.689 -7.868 172 HA ASP 22 HA ASP 22 3.323 -8.396 -8.216 173 1HB ASP 22 1HB ASP 22 1.012 -9.594 -9.874 174 2HB ASP 22 2HB ASP 22 2.142 -8.313 -10.445 175 H GLU 23 H GLU 23 0.025 -8.855 -7.238 176 HA GLU 23 HA GLU 23 -0.848 -6.219 -7.985 177 1HB GLU 23 1HB GLU 23 -2.239 -8.446 -6.409 178 2HB GLU 23 2HB GLU 23 -2.971 -6.860 -6.811 179 1HG GLU 23 1HG GLU 23 -2.534 -7.336 -9.265 180 2HG GLU 23 2HG GLU 23 -2.047 -9.003 -8.823 181 H LEU 24 H LEU 24 -0.143 -7.976 -4.921 182 HA LEU 24 HA LEU 24 -0.541 -6.151 -3.056 183 1HB LEU 24 1HB LEU 24 0.234 -8.540 -2.924 184 2HB LEU 24 2HB LEU 24 1.832 -8.042 -3.534 185 HG LEU 24 HG LEU 24 2.215 -6.712 -1.437 186 1HD1 LEU 24 1HD1 LEU 24 -0.490 -7.896 -0.554 187 2HD1 LEU 24 2HD1 LEU 24 -0.176 -6.146 -0.877 188 3HD1 LEU 24 3HD1 LEU 24 0.648 -6.976 0.502 189 1HD2 LEU 24 1HD2 LEU 24 2.379 -8.754 0.079 190 2HD2 LEU 24 2HD2 LEU 24 2.940 -9.094 -1.613 191 3HD2 LEU 24 3HD2 LEU 24 1.316 -9.644 -1.080 192 H LEU 25 H LEU 25 2.240 -6.145 -5.308 193 HA LEU 25 HA LEU 25 3.625 -4.236 -3.749 194 1HB LEU 25 1HB LEU 25 5.366 -4.890 -4.883 195 2HB LEU 25 2HB LEU 25 4.268 -6.171 -5.515 196 HG LEU 25 HG LEU 25 3.834 -4.417 -7.477 197 1HD1 LEU 25 1HD1 LEU 25 6.637 -3.580 -6.441 198 2HD1 LEU 25 2HD1 LEU 25 5.179 -2.540 -6.395 199 3HD1 LEU 25 3HD1 LEU 25 5.866 -3.047 -7.981 200 1HD2 LEU 25 1HD2 LEU 25 6.445 -6.024 -7.236 201 2HD2 LEU 25 2HD2 LEU 25 5.648 -5.471 -8.759 202 3HD2 LEU 25 3HD2 LEU 25 4.825 -6.678 -7.700 203 H GLU 26 H GLU 26 1.651 -3.914 -6.740 204 HA GLU 26 HA GLU 26 2.227 -1.119 -6.797 205 1HB GLU 26 1HB GLU 26 0.704 -0.925 -8.626 206 2HB GLU 26 2HB GLU 26 1.912 -2.208 -8.856 207 1HG GLU 26 1HG GLU 26 0.141 -3.951 -8.296 208 2HG GLU 26 2HG GLU 26 -1.072 -2.620 -8.204 209 H LEU 27 H LEU 27 -0.185 -3.149 -5.276 210 HA LEU 27 HA LEU 27 -1.799 -0.966 -4.455 211 1HB LEU 27 1HB LEU 27 -1.560 -3.894 -3.791 212 2HB LEU 27 2HB LEU 27 -2.453 -2.847 -2.653 213 HG LEU 27 HG LEU 27 -3.875 -4.016 -4.286 214 1HD1 LEU 27 1HD1 LEU 27 -5.383 -2.117 -4.704 215 2HD1 LEU 27 2HD1 LEU 27 -4.042 -0.945 -4.436 216 3HD1 LEU 27 3HD1 LEU 27 -4.627 -1.984 -3.076 217 1HD2 LEU 27 1HD2 LEU 27 -4.195 -3.116 -6.593 218 2HD2 LEU 27 2HD2 LEU 27 -2.604 -3.929 -6.393 219 3HD2 LEU 27 3HD2 LEU 27 -2.704 -2.128 -6.422 220 H TYR 28 H TYR 28 0.981 -2.626 -2.914 221 HA TYR 28 HA TYR 28 1.040 -1.177 -0.591 222 1HB TYR 28 1HB TYR 28 2.507 -3.078 -0.907 223 2HB TYR 28 2HB TYR 28 3.292 -2.298 -2.314 224 HD1 TYR 28 HD1 TYR 28 3.374 -2.669 1.286 225 HD2 TYR 28 HD2 TYR 28 4.711 -0.317 -1.996 226 HE1 TYR 28 HE1 TYR 28 5.243 -1.865 2.614 227 HE2 TYR 28 HE2 TYR 28 6.475 0.599 -0.649 228 HH TYR 28 HH TYR 28 6.950 -0.398 2.750 229 H ALA 29 H ALA 29 2.609 -0.280 -3.715 230 HA ALA 29 HA ALA 29 3.675 2.062 -2.935 231 1HB ALA 29 1HB ALA 29 3.954 0.992 -5.169 232 2HB ALA 29 2HB ALA 29 3.533 2.732 -5.340 233 3HB ALA 29 3HB ALA 29 2.278 1.462 -5.612 234 H LEU 30 H LEU 30 0.319 1.730 -4.123 235 HA LEU 30 HA LEU 30 -0.337 4.436 -3.638 236 1HB LEU 30 1HB LEU 30 -1.920 1.851 -4.066 237 2HB LEU 30 2HB LEU 30 -2.745 3.345 -3.541 238 HG LEU 30 HG LEU 30 -1.419 4.457 -5.604 239 1HD1 LEU 30 1HD1 LEU 30 -1.648 2.894 -7.592 240 2HD1 LEU 30 2HD1 LEU 30 -2.060 1.550 -6.461 241 3HD1 LEU 30 3HD1 LEU 30 -0.393 2.261 -6.448 242 1HD2 LEU 30 1HD2 LEU 30 -3.781 4.456 -4.924 243 2HD2 LEU 30 2HD2 LEU 30 -4.041 2.881 -5.777 244 3HD2 LEU 30 3HD2 LEU 30 -3.547 4.357 -6.731 245 H TYR 31 H TYR 31 -0.901 1.486 -1.658 246 HA TYR 31 HA TYR 31 -2.374 2.611 0.334 247 1HB TYR 31 1HB TYR 31 -2.218 0.265 0.189 248 2HB TYR 31 2HB TYR 31 -0.440 0.301 0.450 249 HD1 TYR 31 HD1 TYR 31 -3.467 1.878 2.145 250 HD2 TYR 31 HD2 TYR 31 0.244 -0.149 2.520 251 HE1 TYR 31 HE1 TYR 31 -3.770 1.830 4.537 252 HE2 TYR 31 HE2 TYR 31 0.059 -0.016 4.947 253 HH TYR 31 HH TYR 31 -2.609 1.712 6.491 254 H LYS 32 H LYS 32 1.224 2.163 0.200 255 HA LYS 32 HA LYS 32 1.675 3.669 2.530 256 1HB LYS 32 1HB LYS 32 3.587 2.865 0.296 257 2HB LYS 32 2HB LYS 32 4.092 3.501 1.870 258 1HG LYS 32 1HG LYS 32 2.648 0.853 1.328 259 2HG LYS 32 2HG LYS 32 4.330 1.149 1.837 260 1HD LYS 32 1HD LYS 32 1.805 1.564 3.537 261 2HD LYS 32 2HD LYS 32 3.071 0.306 3.686 262 1HE LYS 32 1HE LYS 32 4.749 2.265 4.052 263 2HE LYS 32 2HE LYS 32 3.286 3.322 4.274 264 1HZ LYS 32 1HZ LYS 32 4.034 0.912 5.883 265 2HZ LYS 32 2HZ LYS 32 2.620 1.773 6.118 266 3HZ LYS 32 3HZ LYS 32 4.081 2.524 6.377 267 H GLN 33 H GLN 33 1.268 4.773 -0.869 268 HA GLN 33 HA GLN 33 2.306 7.288 -0.246 269 1HB GLN 33 1HB GLN 33 0.687 6.178 -2.485 270 2HB GLN 33 2HB GLN 33 0.459 7.921 -2.221 271 1HG GLN 33 1HG GLN 33 3.170 6.581 -2.554 272 2HG GLN 33 2HG GLN 33 2.194 7.475 -3.825 273 1HE2 GLN 33 1HE2 GLN 33 4.705 7.780 -1.473 274 2HE2 GLN 33 2HE2 GLN 33 4.655 9.533 -1.358 275 H ALA 34 H ALA 34 -1.142 6.247 -0.128 276 HA ALA 34 HA ALA 34 -1.699 8.934 0.899 277 1HB ALA 34 1HB ALA 34 -3.545 6.720 0.011 278 2HB ALA 34 2HB ALA 34 -3.285 8.346 -0.705 279 3HB ALA 34 3HB ALA 34 -4.122 8.203 0.876 280 H THR 35 H THR 35 -0.931 5.831 2.319 281 HA THR 35 HA THR 35 -2.037 6.426 4.790 282 HB THR 35 HB THR 35 0.333 4.739 4.034 283 HG1 THR 35 HG1 THR 35 -1.490 3.816 3.457 284 1HG2 THR 35 1HG2 THR 35 -1.091 5.178 6.748 285 2HG2 THR 35 2HG2 THR 35 0.678 5.412 6.398 286 3HG2 THR 35 3HG2 THR 35 -0.046 3.760 6.352 287 H VAL 36 H VAL 36 1.358 6.962 3.500 288 HA VAL 36 HA VAL 36 2.013 8.561 5.768 289 HB VAL 36 HB VAL 36 3.500 7.866 3.217 290 1HG1 VAL 36 1HG1 VAL 36 4.583 8.807 5.956 291 2HG1 VAL 36 2HG1 VAL 36 4.402 9.906 4.539 292 3HG1 VAL 36 3HG1 VAL 36 5.502 8.509 4.428 293 1HG2 VAL 36 1HG2 VAL 36 4.619 6.146 4.668 294 2HG2 VAL 36 2HG2 VAL 36 2.907 5.781 4.367 295 3HG2 VAL 36 3HG2 VAL 36 3.414 6.469 5.965 296 H GLY 37 H GLY 37 1.972 9.066 2.239 297 1HA GLY 37 1HA GLY 37 1.260 10.850 1.145 298 2HA GLY 37 2HA GLY 37 1.642 11.949 2.529 299 H ASP 38 H ASP 38 4.228 10.404 2.789 300 HA ASP 38 HA ASP 38 5.641 11.272 0.361 301 1HB ASP 38 1HB ASP 38 6.758 11.127 3.240 302 2HB ASP 38 2HB ASP 38 7.661 11.636 1.768 303 H ASN 39 H ASN 39 7.797 9.747 0.240 304 HA ASN 39 HA ASN 39 7.369 7.170 1.362 305 1HB ASN 39 1HB ASN 39 9.642 6.646 0.918 306 2HB ASN 39 2HB ASN 39 8.963 7.515 -0.494 307 1HD2 ASN 39 1HD2 ASN 39 11.548 7.455 1.816 308 2HD2 ASN 39 2HD2 ASN 39 12.282 8.951 1.294 309 H ASP 40 H ASP 40 7.396 6.603 3.501 310 HA ASP 40 HA ASP 40 8.309 8.587 5.355 311 1HB ASP 40 1HB ASP 40 6.255 7.100 5.733 312 2HB ASP 40 2HB ASP 40 7.365 5.725 6.008 313 H LYS 41 H LYS 41 9.242 5.138 4.782 314 HA LYS 41 HA LYS 41 11.755 5.589 6.126 315 1HB LYS 41 1HB LYS 41 10.596 3.131 4.686 316 2HB LYS 41 2HB LYS 41 12.077 3.154 5.689 317 1HG LYS 41 1HG LYS 41 10.778 3.802 7.686 318 2HG LYS 41 2HG LYS 41 9.259 3.823 6.735 319 1HD LYS 41 1HD LYS 41 10.967 1.285 7.046 320 2HD LYS 41 2HD LYS 41 9.683 1.797 8.186 321 1HE LYS 41 1HE LYS 41 8.045 1.912 6.235 322 2HE LYS 41 2HE LYS 41 9.291 1.130 5.198 323 1HZ LYS 41 1HZ LYS 41 7.697 -0.432 6.222 324 2HZ LYS 41 2HZ LYS 41 8.267 -0.033 7.762 325 3HZ LYS 41 3HZ LYS 41 9.294 -0.769 6.653 326 H GLU 42 H GLU 42 13.725 4.950 5.007 327 HA GLU 42 HA GLU 42 13.560 4.602 2.140 328 1HB GLU 42 1HB GLU 42 13.930 7.050 2.566 329 2HB GLU 42 2HB GLU 42 15.478 6.646 3.366 330 1HG GLU 42 1HG GLU 42 16.150 5.421 1.154 331 2HG GLU 42 2HG GLU 42 14.650 6.065 0.427 332 H LYS 43 H LYS 43 13.639 2.799 4.138 333 HA LYS 43 HA LYS 43 16.125 1.530 3.422 334 1HB LYS 43 1HB LYS 43 16.634 2.790 5.534 335 2HB LYS 43 2HB LYS 43 15.516 1.693 6.392 336 1HG LYS 43 1HG LYS 43 16.896 -0.262 5.668 337 2HG LYS 43 2HG LYS 43 17.865 0.810 4.604 338 1HD LYS 43 1HD LYS 43 18.754 2.031 6.591 339 2HD LYS 43 2HD LYS 43 17.755 1.004 7.662 340 1HE LYS 43 1HE LYS 43 20.107 0.217 7.657 341 2HE LYS 43 2HE LYS 43 19.027 -1.038 6.931 342 1HZ LYS 43 1HZ LYS 43 19.709 -0.296 4.744 343 2HZ LYS 43 2HZ LYS 43 21.048 -0.699 5.668 344 3HZ LYS 43 3HZ LYS 43 20.694 0.926 5.423 345 HA PRO 44 HA PRO 44 13.144 -1.784 3.734 346 1HB PRO 44 1HB PRO 44 13.442 -2.781 1.217 347 2HB PRO 44 2HB PRO 44 12.372 -1.354 1.536 348 1HG PRO 44 1HG PRO 44 15.300 -1.262 0.585 349 2HG PRO 44 2HG PRO 44 13.859 -0.482 -0.204 350 1HD PRO 44 1HD PRO 44 15.490 0.835 1.606 351 2HD PRO 44 2HD PRO 44 13.699 1.158 1.548 352 H GLY 45 H GLY 45 14.197 -4.260 3.148 353 1HA GLY 45 1HA GLY 45 16.592 -4.061 4.636 354 2HA GLY 45 2HA GLY 45 15.787 -5.516 3.994 355 H ILE 46 H ILE 46 18.149 -6.118 3.788 356 HA ILE 46 HA ILE 46 19.511 -4.634 1.655 357 HB ILE 46 HB ILE 46 21.574 -5.686 2.433 358 1HG1 ILE 46 1HG1 ILE 46 19.917 -6.476 4.914 359 2HG1 ILE 46 2HG1 ILE 46 20.596 -7.631 3.721 360 1HG2 ILE 46 1HG2 ILE 46 20.763 -3.355 2.971 361 2HG2 ILE 46 2HG2 ILE 46 21.795 -4.061 4.264 362 3HG2 ILE 46 3HG2 ILE 46 20.010 -3.996 4.486 363 1HD1 ILE 46 1HD1 ILE 46 22.917 -6.782 4.236 364 2HD1 ILE 46 2HD1 ILE 46 22.086 -7.540 5.643 365 3HD1 ILE 46 3HD1 ILE 46 22.224 -5.753 5.543 366 H PHE 47 H PHE 47 18.943 -7.981 2.745 367 HA PHE 47 HA PHE 47 18.908 -8.800 -0.062 368 1HB PHE 47 1HB PHE 47 18.715 -11.174 1.187 369 2HB PHE 47 2HB PHE 47 20.257 -10.360 0.823 370 HD1 PHE 47 HD1 PHE 47 17.677 -10.335 3.559 371 HD2 PHE 47 HD2 PHE 47 21.779 -10.284 2.460 372 HE1 PHE 47 HE1 PHE 47 18.308 -10.206 5.921 373 HE2 PHE 47 HE2 PHE 47 22.416 -10.177 4.819 374 HZ PHE 47 HZ PHE 47 20.678 -10.058 6.553 375 H ASN 48 H ASN 48 16.778 -7.431 2.005 376 HA ASN 48 HA ASN 48 14.683 -9.257 1.695 377 1HB ASN 48 1HB ASN 48 14.958 -7.439 3.525 378 2HB ASN 48 2HB ASN 48 14.123 -6.356 2.350 379 1HD2 ASN 48 1HD2 ASN 48 13.722 -8.813 4.733 380 2HD2 ASN 48 2HD2 ASN 48 12.035 -9.149 4.439 381 H MET 49 H MET 49 14.546 -9.669 -0.608 382 HA MET 49 HA MET 49 14.521 -7.633 -2.491 383 1HB MET 49 1HB MET 49 15.160 -9.980 -2.921 384 2HB MET 49 2HB MET 49 13.481 -10.511 -2.636 385 1HG MET 49 1HG MET 49 14.036 -10.437 -5.027 386 2HG MET 49 2HG MET 49 12.706 -9.323 -4.640 387 1HE MET 49 1HE MET 49 14.408 -7.709 -7.690 388 2HE MET 49 2HE MET 49 12.912 -8.367 -6.950 389 3HE MET 49 3HE MET 49 14.293 -9.457 -7.309 390 H LYS 50 H LYS 50 11.885 -9.250 -0.822 391 HA LYS 50 HA LYS 50 9.802 -8.187 -2.375 392 1HB LYS 50 1HB LYS 50 10.022 -9.590 0.290 393 2HB LYS 50 2HB LYS 50 8.483 -8.800 -0.159 394 1HG LYS 50 1HG LYS 50 8.339 -11.108 -0.723 395 2HG LYS 50 2HG LYS 50 8.286 -10.109 -2.197 396 1HD LYS 50 1HD LYS 50 10.723 -10.742 -2.659 397 2HD LYS 50 2HD LYS 50 10.711 -11.677 -1.135 398 1HE LYS 50 1HE LYS 50 10.392 -13.311 -2.849 399 2HE LYS 50 2HE LYS 50 8.757 -13.051 -2.120 400 1HZ LYS 50 1HZ LYS 50 8.409 -13.028 -4.364 401 2HZ LYS 50 2HZ LYS 50 9.816 -12.163 -4.723 402 3HZ LYS 50 3HZ LYS 50 8.475 -11.374 -4.045 403 H ASP 51 H ASP 51 11.075 -7.005 0.827 404 HA ASP 51 HA ASP 51 9.384 -4.770 0.762 405 1HB ASP 51 1HB ASP 51 12.060 -5.227 2.167 406 2HB ASP 51 2HB ASP 51 11.130 -3.679 2.265 407 H ARG 52 H ARG 52 12.692 -5.251 -0.551 408 HA ARG 52 HA ARG 52 13.061 -2.653 -1.329 409 1HB ARG 52 1HB ARG 52 14.126 -5.232 -2.514 410 2HB ARG 52 2HB ARG 52 14.647 -3.611 -3.080 411 1HG ARG 52 1HG ARG 52 15.432 -3.006 -0.809 412 2HG ARG 52 2HG ARG 52 14.916 -4.579 -0.180 413 1HD ARG 52 1HD ARG 52 17.228 -4.980 -0.552 414 2HD ARG 52 2HD ARG 52 16.499 -5.618 -2.062 415 HE ARG 52 HE ARG 52 17.244 -3.645 -3.236 416 1HH1 ARG 52 1HH1 ARG 52 17.791 -3.148 0.292 417 2HH1 ARG 52 2HH1 ARG 52 18.690 -1.699 0.018 418 1HH2 ARG 52 1HH2 ARG 52 18.855 -1.990 -3.464 419 2HH2 ARG 52 2HH2 ARG 52 19.511 -1.269 -2.038 420 H TYR 53 H TYR 53 11.472 -5.195 -3.389 421 HA TYR 53 HA TYR 53 11.220 -3.264 -5.434 422 1HB TYR 53 1HB TYR 53 9.945 -4.775 -6.737 423 2HB TYR 53 2HB TYR 53 11.444 -5.490 -6.108 424 HD1 TYR 53 HD1 TYR 53 11.347 -7.607 -5.438 425 HD2 TYR 53 HD2 TYR 53 7.770 -5.330 -5.257 426 HE1 TYR 53 HE1 TYR 53 10.088 -9.635 -4.941 427 HE2 TYR 53 HE2 TYR 53 6.511 -7.337 -4.708 428 HH TYR 53 HH TYR 53 6.601 -9.522 -4.257 429 H LYS 54 H LYS 54 9.001 -4.194 -2.796 430 HA LYS 54 HA LYS 54 6.813 -2.747 -3.764 431 1HB LYS 54 1HB LYS 54 7.868 -3.524 -0.996 432 2HB LYS 54 2HB LYS 54 6.296 -2.704 -1.206 433 1HG LYS 54 1HG LYS 54 5.366 -4.565 -2.460 434 2HG LYS 54 2HG LYS 54 6.965 -5.393 -2.530 435 1HD LYS 54 1HD LYS 54 7.070 -5.472 -0.082 436 2HD LYS 54 2HD LYS 54 5.466 -4.672 0.056 437 1HE LYS 54 1HE LYS 54 4.422 -6.687 -1.152 438 2HE LYS 54 2HE LYS 54 6.051 -7.483 -1.120 439 1HZ LYS 54 1HZ LYS 54 4.857 -8.208 0.796 440 2HZ LYS 54 2HZ LYS 54 4.397 -6.641 1.227 441 3HZ LYS 54 3HZ LYS 54 6.015 -7.124 1.320 442 H TRP 55 H TRP 55 9.526 -1.844 -1.609 443 HA TRP 55 HA TRP 55 8.700 0.786 -1.288 444 1HB TRP 55 1HB TRP 55 10.210 -0.664 0.158 445 2HB TRP 55 2HB TRP 55 11.536 -0.289 -0.991 446 HD1 TRP 55 HD1 TRP 55 9.518 1.279 1.971 447 HE1 TRP 55 HE1 TRP 55 9.794 3.811 1.905 448 HE3 TRP 55 HE3 TRP 55 12.776 1.627 -1.914 449 HZ2 TRP 55 HZ2 TRP 55 11.544 5.696 0.627 450 HZ3 TRP 55 HZ3 TRP 55 13.743 3.824 -2.453 451 HH2 TRP 55 HH2 TRP 55 13.156 5.795 -1.174 452 H GLU 56 H GLU 56 10.569 -0.713 -3.884 453 HA GLU 56 HA GLU 56 11.524 1.704 -4.961 454 1HB GLU 56 1HB GLU 56 12.570 -0.500 -5.320 455 2HB GLU 56 2HB GLU 56 11.129 -1.068 -6.208 456 1HG GLU 56 1HG GLU 56 11.576 0.447 -8.067 457 2HG GLU 56 2HG GLU 56 12.769 1.373 -7.094 458 H ALA 57 H ALA 57 8.533 -0.181 -5.385 459 HA ALA 57 HA ALA 57 7.595 1.479 -7.477 460 1HB ALA 57 1HB ALA 57 5.421 0.314 -7.053 461 2HB ALA 57 2HB ALA 57 6.096 -0.369 -5.522 462 3HB ALA 57 3HB ALA 57 6.791 -0.845 -7.115 463 H TRP 58 H TRP 58 7.721 1.827 -4.039 464 HA TRP 58 HA TRP 58 5.611 3.747 -3.933 465 1HB TRP 58 1HB TRP 58 6.011 2.181 -2.039 466 2HB TRP 58 2HB TRP 58 7.648 2.880 -1.789 467 HD1 TRP 58 HD1 TRP 58 4.573 5.129 -2.361 468 HE1 TRP 58 HE1 TRP 58 4.044 6.318 -0.075 469 HE3 TRP 58 HE3 TRP 58 7.658 2.519 0.623 470 HZ2 TRP 58 HZ2 TRP 58 4.963 6.247 2.471 471 HZ3 TRP 58 HZ3 TRP 58 7.665 2.965 3.032 472 HH2 TRP 58 HH2 TRP 58 6.361 4.767 3.975 473 H GLU 59 H GLU 59 9.203 3.772 -3.737 474 HA GLU 59 HA GLU 59 9.431 6.471 -3.252 475 1HB GLU 59 1HB GLU 59 11.693 6.227 -3.370 476 2HB GLU 59 2HB GLU 59 11.061 4.621 -2.921 477 1HG GLU 59 1HG GLU 59 12.612 3.959 -4.404 478 2HG GLU 59 2HG GLU 59 11.248 4.120 -5.566 479 H ASN 60 H ASN 60 8.826 4.804 -6.242 480 HA ASN 60 HA ASN 60 9.410 6.805 -8.058 481 1HB ASN 60 1HB ASN 60 8.724 4.438 -8.543 482 2HB ASN 60 2HB ASN 60 7.066 4.819 -7.971 483 1HD2 ASN 60 1HD2 ASN 60 5.946 4.541 -9.895 484 2HD2 ASN 60 2HD2 ASN 60 6.201 5.500 -11.319 485 H LEU 61 H LEU 61 6.844 6.648 -5.675 486 HA LEU 61 HA LEU 61 5.466 8.912 -6.931 487 1HB LEU 61 1HB LEU 61 4.549 6.954 -4.759 488 2HB LEU 61 2HB LEU 61 3.526 8.197 -5.509 489 HG LEU 61 HG LEU 61 4.734 5.747 -6.910 490 1HD1 LEU 61 1HD1 LEU 61 1.900 6.623 -6.098 491 2HD1 LEU 61 2HD1 LEU 61 2.884 5.327 -5.319 492 3HD1 LEU 61 3HD1 LEU 61 2.305 5.097 -7.019 493 1HD2 LEU 61 1HD2 LEU 61 3.002 8.059 -8.020 494 2HD2 LEU 61 2HD2 LEU 61 3.310 6.496 -8.881 495 3HD2 LEU 61 3HD2 LEU 61 4.663 7.630 -8.544 496 H LYS 62 H LYS 62 7.833 8.566 -4.730 497 HA LYS 62 HA LYS 62 7.356 8.867 -2.363 498 1HB LYS 62 1HB LYS 62 9.537 9.996 -2.107 499 2HB LYS 62 2HB LYS 62 9.533 8.713 -3.336 500 1HG LYS 62 1HG LYS 62 9.209 10.525 -5.127 501 2HG LYS 62 2HG LYS 62 9.466 11.758 -3.868 502 1HD LYS 62 1HD LYS 62 11.300 9.435 -4.631 503 2HD LYS 62 2HD LYS 62 11.552 11.118 -5.191 504 1HE LYS 62 1HE LYS 62 11.760 10.133 -2.246 505 2HE LYS 62 2HE LYS 62 13.134 10.532 -3.338 506 1HZ LYS 62 1HZ LYS 62 12.521 12.310 -1.785 507 2HZ LYS 62 2HZ LYS 62 11.028 12.499 -2.531 508 3HZ LYS 62 3HZ LYS 62 12.452 12.781 -3.403 509 H GLY 63 H GLY 63 6.388 11.810 -4.061 510 1HA GLY 63 1HA GLY 63 5.376 12.529 -1.457 511 2HA GLY 63 2HA GLY 63 6.624 13.644 -2.116 512 H LYS 64 H LYS 64 4.508 12.152 -4.467 513 HA LYS 64 HA LYS 64 2.916 14.634 -4.374 514 1HB LYS 64 1HB LYS 64 2.846 15.084 -6.514 515 2HB LYS 64 2HB LYS 64 4.570 14.687 -6.272 516 1HG LYS 64 1HG LYS 64 2.505 12.766 -7.503 517 2HG LYS 64 2HG LYS 64 3.385 14.005 -8.406 518 1HD LYS 64 1HD LYS 64 5.578 13.093 -7.811 519 2HD LYS 64 2HD LYS 64 4.849 11.848 -6.768 520 1HE LYS 64 1HE LYS 64 5.630 10.969 -9.002 521 2HE LYS 64 2HE LYS 64 3.875 10.682 -8.701 522 1HZ LYS 64 1HZ LYS 64 5.044 12.872 -10.360 523 2HZ LYS 64 2HZ LYS 64 3.395 12.653 -10.078 524 3HZ LYS 64 3HZ LYS 64 4.247 11.513 -10.939 525 H SER 65 H SER 65 2.907 11.213 -5.419 526 HA SER 65 HA SER 65 0.168 11.520 -6.115 527 1HB SER 65 1HB SER 65 2.160 9.259 -6.346 528 2HB SER 65 2HB SER 65 0.459 9.038 -6.847 529 HG SER 65 HG SER 65 0.706 10.751 -8.277 530 H GLN 66 H GLN 66 0.422 11.793 -3.218 531 HA GLN 66 HA GLN 66 -1.195 9.682 -2.214 532 1HB GLN 66 1HB GLN 66 -0.097 10.957 -0.581 533 2HB GLN 66 2HB GLN 66 -0.259 12.480 -1.529 534 1HG GLN 66 1HG GLN 66 -2.499 12.820 -0.988 535 2HG GLN 66 2HG GLN 66 -2.713 11.181 -0.251 536 1HE2 GLN 66 1HE2 GLN 66 -1.375 10.720 1.709 537 2HE2 GLN 66 2HE2 GLN 66 -1.160 12.023 2.854 538 H GLU 67 H GLU 67 -1.377 12.599 -4.095 539 HA GLU 67 HA GLU 67 -4.097 13.144 -4.021 540 1HB GLU 67 1HB GLU 67 -3.612 14.679 -5.814 541 2HB GLU 67 2HB GLU 67 -2.268 14.752 -4.633 542 1HG GLU 67 1HG GLU 67 -0.751 13.555 -6.118 543 2HG GLU 67 2HG GLU 67 -2.070 13.193 -7.271 544 H ASP 68 H ASP 68 -2.063 11.156 -6.070 545 HA ASP 68 HA ASP 68 -4.326 10.244 -7.603 546 1HB ASP 68 1HB ASP 68 -1.372 9.292 -7.545 547 2HB ASP 68 2HB ASP 68 -2.579 8.817 -8.798 548 H ALA 69 H ALA 69 -2.036 8.729 -5.193 549 HA ALA 69 HA ALA 69 -2.961 6.345 -5.080 550 1HB ALA 69 1HB ALA 69 -2.567 6.293 -2.617 551 2HB ALA 69 2HB ALA 69 -2.445 8.091 -2.647 552 3HB ALA 69 3HB ALA 69 -1.261 7.085 -3.564 553 H GLU 70 H GLU 70 -4.607 8.818 -2.959 554 HA GLU 70 HA GLU 70 -6.670 7.286 -2.174 555 1HB GLU 70 1HB GLU 70 -7.794 9.292 -1.579 556 2HB GLU 70 2HB GLU 70 -6.047 9.384 -1.239 557 1HG GLU 70 1HG GLU 70 -5.670 10.765 -3.277 558 2HG GLU 70 2HG GLU 70 -7.394 10.603 -3.736 559 H LYS 71 H LYS 71 -6.701 8.859 -5.437 560 HA LYS 71 HA LYS 71 -9.477 8.096 -5.776 561 1HB LYS 71 1HB LYS 71 -7.310 9.466 -7.489 562 2HB LYS 71 2HB LYS 71 -8.967 9.166 -8.090 563 1HG LYS 71 1HG LYS 71 -9.945 10.726 -6.547 564 2HG LYS 71 2HG LYS 71 -8.394 10.952 -5.652 565 1HD LYS 71 1HD LYS 71 -7.275 11.819 -7.573 566 2HD LYS 71 2HD LYS 71 -8.627 11.381 -8.671 567 1HE LYS 71 1HE LYS 71 -10.113 13.083 -7.377 568 2HE LYS 71 2HE LYS 71 -8.588 13.702 -6.629 569 1HZ LYS 71 1HZ LYS 71 -8.882 14.978 -8.529 570 2HZ LYS 71 2HZ LYS 71 -9.418 13.674 -9.469 571 3HZ LYS 71 3HZ LYS 71 -7.795 13.797 -9.083 572 H GLU 72 H GLU 72 -6.260 7.011 -6.849 573 HA GLU 72 HA GLU 72 -7.511 5.280 -8.784 574 1HB GLU 72 1HB GLU 72 -4.667 5.649 -7.810 575 2HB GLU 72 2HB GLU 72 -5.110 4.447 -9.066 576 1HG GLU 72 1HG GLU 72 -5.612 7.490 -9.304 577 2HG GLU 72 2HG GLU 72 -4.132 6.650 -9.863 578 H TYR 73 H TYR 73 -6.536 5.098 -5.408 579 HA TYR 73 HA TYR 73 -6.141 2.373 -5.303 580 1HB TYR 73 1HB TYR 73 -5.456 4.104 -3.558 581 2HB TYR 73 2HB TYR 73 -7.163 4.171 -3.011 582 HD1 TYR 73 HD1 TYR 73 -4.340 1.873 -3.774 583 HD2 TYR 73 HD2 TYR 73 -7.740 2.611 -1.330 584 HE1 TYR 73 HE1 TYR 73 -3.593 0.114 -2.239 585 HE2 TYR 73 HE2 TYR 73 -7.050 0.791 0.150 586 HH TYR 73 HH TYR 73 -4.049 -1.096 -0.386 587 H ILE 74 H ILE 74 -9.128 4.251 -4.502 588 HA ILE 74 HA ILE 74 -10.787 2.265 -3.847 589 HB ILE 74 HB ILE 74 -11.378 4.446 -3.710 590 1HG1 ILE 74 1HG1 ILE 74 -13.278 2.794 -4.210 591 2HG1 ILE 74 2HG1 ILE 74 -13.589 4.540 -4.419 592 1HG2 ILE 74 1HG2 ILE 74 -11.125 4.804 -6.734 593 2HG2 ILE 74 2HG2 ILE 74 -10.146 5.560 -5.411 594 3HG2 ILE 74 3HG2 ILE 74 -11.874 5.971 -5.596 595 1HD1 ILE 74 1HD1 ILE 74 -14.734 3.423 -6.165 596 2HD1 ILE 74 2HD1 ILE 74 -13.296 2.511 -6.692 597 3HD1 ILE 74 3HD1 ILE 74 -13.371 4.305 -6.924 598 H ALA 75 H ALA 75 -10.096 3.130 -7.229 599 HA ALA 75 HA ALA 75 -11.832 1.102 -8.154 600 1HB ALA 75 1HB ALA 75 -9.580 2.642 -9.611 601 2HB ALA 75 2HB ALA 75 -11.283 3.199 -9.455 602 3HB ALA 75 3HB ALA 75 -10.904 1.732 -10.428 603 H LEU 76 H LEU 76 -8.454 0.940 -7.304 604 HA LEU 76 HA LEU 76 -8.010 -1.566 -8.617 605 1HB LEU 76 1HB LEU 76 -6.703 -0.338 -6.122 606 2HB LEU 76 2HB LEU 76 -6.101 -1.787 -6.981 607 HG LEU 76 HG LEU 76 -6.304 0.995 -8.255 608 1HD1 LEU 76 1HD1 LEU 76 -3.832 -0.380 -7.024 609 2HD1 LEU 76 2HD1 LEU 76 -4.852 0.798 -6.140 610 3HD1 LEU 76 3HD1 LEU 76 -3.975 1.319 -7.639 611 1HD2 LEU 76 1HD2 LEU 76 -4.748 -1.545 -9.065 612 2HD2 LEU 76 2HD2 LEU 76 -4.657 0.060 -9.895 613 3HD2 LEU 76 3HD2 LEU 76 -6.196 -0.877 -9.916 614 H VAL 77 H VAL 77 -8.890 -0.550 -5.280 615 HA VAL 77 HA VAL 77 -8.724 -3.166 -4.258 616 HB VAL 77 HB VAL 77 -9.625 -0.555 -3.118 617 1HG1 VAL 77 1HG1 VAL 77 -9.591 -3.460 -2.040 618 2HG1 VAL 77 2HG1 VAL 77 -10.928 -2.275 -1.897 619 3HG1 VAL 77 3HG1 VAL 77 -9.408 -2.084 -0.917 620 1HG2 VAL 77 1HG2 VAL 77 -7.162 -0.893 -3.591 621 2HG2 VAL 77 2HG2 VAL 77 -7.264 -2.540 -2.847 622 3HG2 VAL 77 3HG2 VAL 77 -7.462 -1.084 -1.818 623 H ASP 78 H ASP 78 -11.425 -1.281 -5.678 624 HA ASP 78 HA ASP 78 -13.435 -2.964 -4.855 625 1HB ASP 78 1HB ASP 78 -12.803 -1.237 -7.269 626 2HB ASP 78 2HB ASP 78 -14.223 -2.349 -7.405 627 H GLN 79 H GLN 79 -11.073 -3.378 -7.445 628 HA GLN 79 HA GLN 79 -12.254 -5.819 -8.364 629 1HB GLN 79 1HB GLN 79 -9.584 -4.520 -9.070 630 2HB GLN 79 2HB GLN 79 -10.322 -5.937 -9.882 631 1HG GLN 79 1HG GLN 79 -12.339 -4.494 -10.467 632 2HG GLN 79 2HG GLN 79 -11.460 -3.065 -9.818 633 1HE2 GLN 79 1HE2 GLN 79 -10.376 -1.920 -11.426 634 2HE2 GLN 79 2HE2 GLN 79 -9.748 -2.642 -12.894 635 H LEU 80 H LEU 80 -9.776 -4.979 -6.028 636 HA LEU 80 HA LEU 80 -8.617 -7.585 -5.765 637 1HB LEU 80 1HB LEU 80 -8.663 -5.080 -4.058 638 2HB LEU 80 2HB LEU 80 -8.195 -6.637 -3.361 639 HG LEU 80 HG LEU 80 -6.529 -6.941 -5.272 640 1HD1 LEU 80 1HD1 LEU 80 -6.791 -3.886 -5.492 641 2HD1 LEU 80 2HD1 LEU 80 -7.241 -5.075 -6.774 642 3HD1 LEU 80 3HD1 LEU 80 -5.524 -4.921 -6.248 643 1HD2 LEU 80 1HD2 LEU 80 -6.022 -4.721 -3.190 644 2HD2 LEU 80 2HD2 LEU 80 -4.804 -5.824 -3.943 645 3HD2 LEU 80 3HD2 LEU 80 -6.042 -6.486 -2.825 646 H ILE 81 H ILE 81 -11.167 -5.771 -3.936 647 HA ILE 81 HA ILE 81 -11.511 -7.920 -2.189 648 HB ILE 81 HB ILE 81 -12.984 -5.446 -2.868 649 1HG1 ILE 81 1HG1 ILE 81 -11.341 -6.343 -0.430 650 2HG1 ILE 81 2HG1 ILE 81 -10.827 -5.225 -1.730 651 1HG2 ILE 81 1HG2 ILE 81 -14.440 -5.791 -0.781 652 2HG2 ILE 81 2HG2 ILE 81 -13.751 -7.443 -0.607 653 3HG2 ILE 81 3HG2 ILE 81 -14.782 -7.013 -2.024 654 1HD1 ILE 81 1HD1 ILE 81 -12.645 -3.605 -1.010 655 2HD1 ILE 81 2HD1 ILE 81 -11.396 -3.912 0.252 656 3HD1 ILE 81 3HD1 ILE 81 -13.013 -4.683 0.386 657 H ALA 82 H ALA 82 -13.126 -7.063 -5.211 658 HA ALA 82 HA ALA 82 -15.199 -8.835 -5.217 659 1HB ALA 82 1HB ALA 82 -14.737 -7.152 -6.995 660 2HB ALA 82 2HB ALA 82 -14.915 -8.785 -7.712 661 3HB ALA 82 3HB ALA 82 -13.272 -8.071 -7.494 662 H LYS 83 H LYS 83 -11.716 -9.614 -5.536 663 HA LYS 83 HA LYS 83 -12.365 -12.391 -6.093 664 1HB LYS 83 1HB LYS 83 -9.697 -10.929 -5.707 665 2HB LYS 83 2HB LYS 83 -9.904 -12.651 -6.182 666 1HG LYS 83 1HG LYS 83 -11.122 -11.897 -8.245 667 2HG LYS 83 2HG LYS 83 -10.820 -10.193 -7.800 668 1HD LYS 83 1HD LYS 83 -8.675 -12.314 -8.425 669 2HD LYS 83 2HD LYS 83 -9.284 -11.033 -9.521 670 1HE LYS 83 1HE LYS 83 -8.440 -9.313 -7.732 671 2HE LYS 83 2HE LYS 83 -7.553 -10.710 -6.994 672 1HZ LYS 83 1HZ LYS 83 -7.300 -9.544 -9.694 673 2HZ LYS 83 2HZ LYS 83 -6.662 -11.054 -9.366 674 3HZ LYS 83 3HZ LYS 83 -6.089 -9.676 -8.539 675 H TYR 84 H TYR 84 -11.028 -10.165 -3.629 676 HA TYR 84 HA TYR 84 -10.021 -12.430 -2.234 677 1HB TYR 84 1HB TYR 84 -9.620 -9.406 -1.907 678 2HB TYR 84 2HB TYR 84 -8.722 -10.648 -0.985 679 HD1 TYR 84 HD1 TYR 84 -7.586 -8.506 -2.612 680 HD2 TYR 84 HD2 TYR 84 -8.488 -12.521 -3.632 681 HE1 TYR 84 HE1 TYR 84 -5.714 -8.529 -4.197 682 HE2 TYR 84 HE2 TYR 84 -6.602 -12.569 -5.161 683 HH TYR 84 HH TYR 84 -4.942 -9.802 -6.222 684 H SER 85 H SER 85 -12.804 -10.476 -1.688 685 HA SER 85 HA SER 85 -12.997 -10.480 0.976 686 1HB SER 85 1HB SER 85 -14.691 -9.635 -0.684 687 2HB SER 85 2HB SER 85 -15.330 -11.293 -0.828 688 HG SER 85 HG SER 85 -15.997 -11.173 1.263 689 H SER 86 H SER 86 -13.969 -13.326 -0.997 690 HA SER 86 HA SER 86 -12.876 -15.032 0.961 691 1HB SER 86 1HB SER 86 -15.111 -14.584 2.041 692 2HB SER 86 2HB SER 86 -15.908 -15.199 0.559 693 HG SER 86 HG SER 86 -15.769 -16.972 1.651 Start of MODEL 16 1 1H VAL 1 1H VAL 1 -10.241 7.658 -2.735 2 2H VAL 1 2H VAL 1 -10.156 9.335 -2.762 3 3H VAL 1 3H VAL 1 -11.492 8.565 -3.404 4 HA VAL 1 HA VAL 1 -11.468 9.730 -1.104 5 HB VAL 1 HB VAL 1 -13.436 8.886 -1.896 6 1HG1 VAL 1 1HG1 VAL 1 -13.991 6.391 -1.766 7 2HG1 VAL 1 2HG1 VAL 1 -12.224 6.079 -1.578 8 3HG1 VAL 1 3HG1 VAL 1 -12.857 6.868 -3.061 9 1HG2 VAL 1 1HG2 VAL 1 -13.309 9.187 0.603 10 2HG2 VAL 1 2HG2 VAL 1 -12.974 7.417 0.771 11 3HG2 VAL 1 3HG2 VAL 1 -14.525 7.977 0.070 12 H SER 2 H SER 2 -10.206 9.951 0.584 13 HA SER 2 HA SER 2 -8.284 8.056 1.220 14 1HB SER 2 1HB SER 2 -8.055 10.563 1.230 15 2HB SER 2 2HB SER 2 -8.969 10.585 2.770 16 HG SER 2 HG SER 2 -6.653 10.511 2.953 17 H GLN 3 H GLN 3 -11.436 8.819 2.745 18 HA GLN 3 HA GLN 3 -10.849 7.440 5.072 19 1HB GLN 3 1HB GLN 3 -12.813 8.939 4.684 20 2HB GLN 3 2HB GLN 3 -13.581 7.671 3.694 21 1HG GLN 3 1HG GLN 3 -13.618 6.125 5.692 22 2HG GLN 3 2HG GLN 3 -12.779 7.376 6.667 23 1HE2 GLN 3 1HE2 GLN 3 -15.861 6.234 5.544 24 2HE2 GLN 3 2HE2 GLN 3 -16.800 7.470 6.341 25 H LEU 4 H LEU 4 -12.335 6.340 2.059 26 HA LEU 4 HA LEU 4 -12.865 3.709 2.726 27 1HB LEU 4 1HB LEU 4 -13.698 4.936 0.632 28 2HB LEU 4 2HB LEU 4 -11.993 4.909 0.029 29 HG LEU 4 HG LEU 4 -11.959 2.483 0.031 30 1HD1 LEU 4 1HD1 LEU 4 -14.217 1.232 0.161 31 2HD1 LEU 4 2HD1 LEU 4 -14.999 2.759 0.700 32 3HD1 LEU 4 3HD1 LEU 4 -13.773 1.961 1.750 33 1HD2 LEU 4 1HD2 LEU 4 -13.375 2.163 -1.973 34 2HD2 LEU 4 2HD2 LEU 4 -12.553 3.771 -2.003 35 3HD2 LEU 4 3HD2 LEU 4 -14.310 3.668 -1.579 36 H PHE 5 H PHE 5 -10.070 5.276 1.236 37 HA PHE 5 HA PHE 5 -8.668 3.247 0.341 38 1HB PHE 5 1HB PHE 5 -7.610 5.164 -0.272 39 2HB PHE 5 2HB PHE 5 -8.192 6.010 1.192 40 HD1 PHE 5 HD1 PHE 5 -5.440 3.912 -0.143 41 HD2 PHE 5 HD2 PHE 5 -6.875 6.201 3.161 42 HE1 PHE 5 HE1 PHE 5 -3.296 3.714 0.949 43 HE2 PHE 5 HE2 PHE 5 -4.775 5.904 4.299 44 HZ PHE 5 HZ PHE 5 -3.040 4.495 3.314 45 H GLU 6 H GLU 6 -8.600 4.300 3.692 46 HA GLU 6 HA GLU 6 -6.719 2.118 4.269 47 1HB GLU 6 1HB GLU 6 -6.492 2.921 6.554 48 2HB GLU 6 2HB GLU 6 -5.966 4.085 5.307 49 1HG GLU 6 1HG GLU 6 -8.022 5.349 5.482 50 2HG GLU 6 2HG GLU 6 -8.715 4.135 6.665 51 H GLU 7 H GLU 7 -10.141 2.931 4.751 52 HA GLU 7 HA GLU 7 -10.771 0.914 6.527 53 1HB GLU 7 1HB GLU 7 -12.318 2.644 5.984 54 2HB GLU 7 2HB GLU 7 -12.264 2.272 4.242 55 1HG GLU 7 1HG GLU 7 -13.519 0.239 4.489 56 2HG GLU 7 2HG GLU 7 -13.347 0.257 6.285 57 H LYS 8 H LYS 8 -10.562 0.730 2.943 58 HA LYS 8 HA LYS 8 -10.813 -2.146 3.134 59 1HB LYS 8 1HB LYS 8 -10.334 -0.406 0.688 60 2HB LYS 8 2HB LYS 8 -10.745 -2.157 0.709 61 1HG LYS 8 1HG LYS 8 -12.512 0.175 1.596 62 2HG LYS 8 2HG LYS 8 -12.687 -0.823 0.120 63 1HD LYS 8 1HD LYS 8 -13.042 -2.856 1.677 64 2HD LYS 8 2HD LYS 8 -13.085 -1.680 3.041 65 1HE LYS 8 1HE LYS 8 -15.020 -0.487 1.900 66 2HE LYS 8 2HE LYS 8 -14.993 -1.741 0.602 67 1HZ LYS 8 1HZ LYS 8 -15.628 -2.154 3.493 68 2HZ LYS 8 2HZ LYS 8 -15.418 -3.413 2.367 69 3HZ LYS 8 3HZ LYS 8 -16.628 -2.286 2.135 70 H ALA 9 H ALA 9 -8.042 0.130 2.940 71 HA ALA 9 HA ALA 9 -6.298 -1.729 1.894 72 1HB ALA 9 1HB ALA 9 -5.650 0.398 4.030 73 2HB ALA 9 2HB ALA 9 -5.621 0.669 2.242 74 3HB ALA 9 3HB ALA 9 -4.492 -0.500 2.973 75 H LYS 10 H LYS 10 -7.161 -0.986 5.254 76 HA LYS 10 HA LYS 10 -5.662 -3.001 6.516 77 1HB LYS 10 1HB LYS 10 -8.184 -1.399 6.967 78 2HB LYS 10 2HB LYS 10 -7.582 -2.536 8.262 79 1HG LYS 10 1HG LYS 10 -5.536 -1.166 8.511 80 2HG LYS 10 2HG LYS 10 -6.019 -0.132 7.123 81 1HD LYS 10 1HD LYS 10 -8.140 0.474 8.312 82 2HD LYS 10 2HD LYS 10 -7.605 -0.463 9.738 83 1HE LYS 10 1HE LYS 10 -5.661 1.103 10.046 84 2HE LYS 10 2HE LYS 10 -6.162 2.033 8.574 85 1HZ LYS 10 1HZ LYS 10 -8.193 2.630 9.638 86 2HZ LYS 10 2HZ LYS 10 -6.943 2.907 10.765 87 3HZ LYS 10 3HZ LYS 10 -7.932 1.560 10.917 88 H ALA 11 H ALA 11 -8.561 -3.224 4.581 89 HA ALA 11 HA ALA 11 -9.277 -5.812 5.655 90 1HB ALA 11 1HB ALA 11 -11.061 -4.349 4.648 91 2HB ALA 11 2HB ALA 11 -10.900 -5.942 3.825 92 3HB ALA 11 3HB ALA 11 -10.229 -4.469 3.055 93 H VAL 12 H VAL 12 -7.839 -4.604 2.498 94 HA VAL 12 HA VAL 12 -7.584 -7.164 1.573 95 HB VAL 12 HB VAL 12 -6.342 -6.230 -0.283 96 1HG1 VAL 12 1HG1 VAL 12 -8.793 -4.588 0.541 97 2HG1 VAL 12 2HG1 VAL 12 -8.820 -6.286 -0.073 98 3HG1 VAL 12 3HG1 VAL 12 -8.173 -4.962 -1.112 99 1HG2 VAL 12 1HG2 VAL 12 -6.446 -3.597 1.323 100 2HG2 VAL 12 2HG2 VAL 12 -5.951 -3.750 -0.385 101 3HG2 VAL 12 3HG2 VAL 12 -4.946 -4.483 0.900 102 H ASN 13 H ASN 13 -5.391 -5.330 3.561 103 HA ASN 13 HA ASN 13 -3.235 -7.205 3.059 104 1HB ASN 13 1HB ASN 13 -3.620 -4.858 4.983 105 2HB ASN 13 2HB ASN 13 -2.124 -5.875 4.963 106 1HD2 ASN 13 1HD2 ASN 13 -3.820 -3.288 3.311 107 2HD2 ASN 13 2HD2 ASN 13 -2.639 -3.056 2.058 108 H GLU 14 H GLU 14 -6.026 -7.506 4.749 109 HA GLU 14 HA GLU 14 -4.843 -9.491 6.564 110 1HB GLU 14 1HB GLU 14 -5.543 -7.269 7.603 111 2HB GLU 14 2HB GLU 14 -7.226 -7.716 7.237 112 1HG GLU 14 1HG GLU 14 -6.981 -9.751 8.712 113 2HG GLU 14 2HG GLU 14 -5.247 -9.365 8.963 114 H LEU 15 H LEU 15 -6.626 -9.299 3.812 115 HA LEU 15 HA LEU 15 -8.885 -10.706 4.533 116 1HB LEU 15 1HB LEU 15 -7.454 -9.955 1.991 117 2HB LEU 15 2HB LEU 15 -8.721 -11.181 1.831 118 HG LEU 15 HG LEU 15 -9.094 -8.350 2.897 119 1HD1 LEU 15 1HD1 LEU 15 -10.314 -7.912 0.863 120 2HD1 LEU 15 2HD1 LEU 15 -10.295 -9.643 0.387 121 3HD1 LEU 15 3HD1 LEU 15 -8.765 -8.682 0.358 122 1HD2 LEU 15 1HD2 LEU 15 -11.247 -10.521 2.511 123 2HD2 LEU 15 2HD2 LEU 15 -11.536 -8.783 2.865 124 3HD2 LEU 15 3HD2 LEU 15 -10.725 -9.809 4.093 125 HA PRO 16 HA PRO 16 -7.379 -14.824 4.364 126 1HB PRO 16 1HB PRO 16 -9.552 -16.306 3.609 127 2HB PRO 16 2HB PRO 16 -9.555 -15.368 5.153 128 1HG PRO 16 1HG PRO 16 -10.840 -14.574 2.481 129 2HG PRO 16 2HG PRO 16 -11.530 -14.436 4.148 130 1HD PRO 16 1HD PRO 16 -10.131 -12.420 2.685 131 2HD PRO 16 2HD PRO 16 -10.353 -12.381 4.500 132 H THR 17 H THR 17 -8.761 -13.332 1.491 133 HA THR 17 HA THR 17 -7.325 -15.191 -0.251 134 HB THR 17 HB THR 17 -9.194 -12.930 -0.995 135 HG1 THR 17 HG1 THR 17 -10.690 -14.114 -0.358 136 1HG2 THR 17 1HG2 THR 17 -9.381 -14.241 -3.126 137 2HG2 THR 17 2HG2 THR 17 -8.229 -15.481 -2.500 138 3HG2 THR 17 3HG2 THR 17 -7.674 -13.786 -2.818 139 H LYS 18 H LYS 18 -5.433 -14.393 0.660 140 HA LYS 18 HA LYS 18 -4.770 -11.781 0.891 141 1HB LYS 18 1HB LYS 18 -2.947 -14.218 0.614 142 2HB LYS 18 2HB LYS 18 -2.411 -12.620 1.235 143 1HG LYS 18 1HG LYS 18 -4.296 -12.712 2.905 144 2HG LYS 18 2HG LYS 18 -4.590 -14.428 2.465 145 1HD LYS 18 1HD LYS 18 -2.260 -15.008 3.172 146 2HD LYS 18 2HD LYS 18 -1.965 -13.297 3.605 147 1HE LYS 18 1HE LYS 18 -4.020 -15.206 4.921 148 2HE LYS 18 2HE LYS 18 -2.499 -14.556 5.649 149 1HZ LYS 18 1HZ LYS 18 -4.183 -13.187 6.453 150 2HZ LYS 18 2HZ LYS 18 -4.996 -13.080 4.971 151 3HZ LYS 18 3HZ LYS 18 -3.525 -12.295 5.202 152 HA PRO 19 HA PRO 19 -4.100 -10.088 -2.724 153 1HB PRO 19 1HB PRO 19 -1.376 -8.971 -1.942 154 2HB PRO 19 2HB PRO 19 -2.806 -8.074 -2.599 155 1HG PRO 19 1HG PRO 19 -2.250 -7.996 0.104 156 2HG PRO 19 2HG PRO 19 -3.958 -8.265 -0.419 157 1HD PRO 19 1HD PRO 19 -1.890 -10.382 0.402 158 2HD PRO 19 2HD PRO 19 -3.623 -10.166 0.922 159 H SER 20 H SER 20 -3.158 -10.013 -4.875 160 HA SER 20 HA SER 20 -1.459 -12.294 -5.370 161 1HB SER 20 1HB SER 20 -2.852 -10.359 -7.280 162 2HB SER 20 2HB SER 20 -1.818 -11.729 -7.808 163 HG SER 20 HG SER 20 -4.293 -11.788 -6.496 164 H THR 21 H THR 21 0.539 -12.330 -6.413 165 HA THR 21 HA THR 21 2.309 -10.745 -5.293 166 HB THR 21 HB THR 21 2.635 -12.390 -7.808 167 HG1 THR 21 HG1 THR 21 2.927 -13.980 -6.436 168 1HG2 THR 21 1HG2 THR 21 5.000 -12.686 -6.962 169 2HG2 THR 21 2HG2 THR 21 4.696 -11.468 -5.676 170 3HG2 THR 21 3HG2 THR 21 4.701 -10.980 -7.415 171 H ASP 22 H ASP 22 1.467 -10.294 -8.820 172 HA ASP 22 HA ASP 22 3.279 -8.100 -8.941 173 1HB ASP 22 1HB ASP 22 2.507 -8.055 -11.337 174 2HB ASP 22 2HB ASP 22 3.122 -9.653 -10.811 175 H GLU 23 H GLU 23 0.125 -8.411 -7.887 176 HA GLU 23 HA GLU 23 -0.513 -5.629 -8.431 177 1HB GLU 23 1HB GLU 23 -1.997 -7.797 -6.881 178 2HB GLU 23 2HB GLU 23 -2.618 -6.145 -7.235 179 1HG GLU 23 1HG GLU 23 -2.385 -6.609 -9.706 180 2HG GLU 23 2HG GLU 23 -1.858 -8.282 -9.336 181 H LEU 24 H LEU 24 0.295 -7.741 -5.603 182 HA LEU 24 HA LEU 24 0.261 -6.096 -3.596 183 1HB LEU 24 1HB LEU 24 0.720 -8.527 -3.681 184 2HB LEU 24 2HB LEU 24 2.356 -8.210 -4.322 185 HG LEU 24 HG LEU 24 3.036 -7.187 -2.179 186 1HD1 LEU 24 1HD1 LEU 24 0.915 -6.107 -1.458 187 2HD1 LEU 24 2HD1 LEU 24 1.492 -7.247 -0.186 188 3HD1 LEU 24 3HD1 LEU 24 0.133 -7.723 -1.281 189 1HD2 LEU 24 1HD2 LEU 24 3.194 -9.654 -2.535 190 2HD2 LEU 24 2HD2 LEU 24 1.524 -9.866 -1.899 191 3HD2 LEU 24 3HD2 LEU 24 2.839 -9.292 -0.799 192 H LEU 25 H LEU 25 2.983 -6.103 -5.918 193 HA LEU 25 HA LEU 25 4.689 -4.343 -4.678 194 1HB LEU 25 1HB LEU 25 3.765 -4.783 -7.562 195 2HB LEU 25 2HB LEU 25 5.018 -3.557 -7.213 196 HG LEU 25 HG LEU 25 5.376 -6.438 -6.272 197 1HD1 LEU 25 1HD1 LEU 25 4.867 -6.502 -8.702 198 2HD1 LEU 25 2HD1 LEU 25 6.630 -6.813 -8.431 199 3HD1 LEU 25 3HD1 LEU 25 6.069 -5.197 -9.010 200 1HD2 LEU 25 1HD2 LEU 25 6.883 -4.587 -5.346 201 2HD2 LEU 25 2HD2 LEU 25 7.344 -4.172 -7.028 202 3HD2 LEU 25 3HD2 LEU 25 7.781 -5.789 -6.357 203 H GLU 26 H GLU 26 2.008 -3.525 -6.848 204 HA GLU 26 HA GLU 26 2.364 -0.717 -6.367 205 1HB GLU 26 1HB GLU 26 0.261 -2.248 -7.967 206 2HB GLU 26 2HB GLU 26 0.529 -0.470 -7.989 207 1HG GLU 26 1HG GLU 26 2.906 -0.854 -8.775 208 2HG GLU 26 2HG GLU 26 2.598 -2.624 -8.845 209 H LEU 27 H LEU 27 0.124 -3.222 -5.251 210 HA LEU 27 HA LEU 27 -1.584 -1.405 -3.936 211 1HB LEU 27 1HB LEU 27 -1.144 -4.389 -3.868 212 2HB LEU 27 2HB LEU 27 -2.105 -3.639 -2.561 213 HG LEU 27 HG LEU 27 -3.518 -4.536 -4.313 214 1HD1 LEU 27 1HD1 LEU 27 -5.038 -2.636 -4.545 215 2HD1 LEU 27 2HD1 LEU 27 -3.721 -1.466 -4.201 216 3HD1 LEU 27 3HD1 LEU 27 -4.275 -2.605 -2.912 217 1HD2 LEU 27 1HD2 LEU 27 -2.344 -2.413 -6.219 218 2HD2 LEU 27 2HD2 LEU 27 -3.779 -3.456 -6.534 219 3HD2 LEU 27 3HD2 LEU 27 -2.151 -4.196 -6.359 220 H TYR 28 H TYR 28 1.431 -2.985 -2.846 221 HA TYR 28 HA TYR 28 1.438 -1.840 -0.297 222 1HB TYR 28 1HB TYR 28 3.068 -3.491 -0.767 223 2HB TYR 28 2HB TYR 28 3.575 -2.685 -2.290 224 HD1 TYR 28 HD1 TYR 28 4.109 -2.905 1.289 225 HD2 TYR 28 HD2 TYR 28 4.977 -0.692 -2.238 226 HE1 TYR 28 HE1 TYR 28 6.073 -1.959 2.357 227 HE2 TYR 28 HE2 TYR 28 6.794 0.423 -1.118 228 HH TYR 28 HH TYR 28 7.951 -0.751 2.061 229 H ALA 29 H ALA 29 2.767 -0.598 -3.406 230 HA ALA 29 HA ALA 29 3.756 1.705 -2.497 231 1HB ALA 29 1HB ALA 29 2.382 1.294 -5.218 232 2HB ALA 29 2HB ALA 29 4.054 0.774 -4.804 233 3HB ALA 29 3HB ALA 29 3.635 2.522 -4.840 234 H LEU 30 H LEU 30 0.392 1.468 -3.802 235 HA LEU 30 HA LEU 30 -0.255 4.102 -3.096 236 1HB LEU 30 1HB LEU 30 -1.891 1.602 -3.695 237 2HB LEU 30 2HB LEU 30 -2.664 3.133 -3.163 238 HG LEU 30 HG LEU 30 -1.163 4.226 -5.098 239 1HD1 LEU 30 1HD1 LEU 30 -0.145 2.087 -5.984 240 2HD1 LEU 30 2HD1 LEU 30 -1.378 2.693 -7.159 241 3HD1 LEU 30 3HD1 LEU 30 -1.796 1.340 -6.041 242 1HD2 LEU 30 1HD2 LEU 30 -3.567 4.338 -4.612 243 2HD2 LEU 30 2HD2 LEU 30 -3.838 2.804 -5.548 244 3HD2 LEU 30 3HD2 LEU 30 -3.171 4.280 -6.389 245 H TYR 31 H TYR 31 -0.547 1.127 -1.185 246 HA TYR 31 HA TYR 31 -2.181 2.173 0.800 247 1HB TYR 31 1HB TYR 31 -2.007 -0.143 0.639 248 2HB TYR 31 2HB TYR 31 -0.225 -0.108 0.930 249 HD1 TYR 31 HD1 TYR 31 -3.218 1.607 2.576 250 HD2 TYR 31 HD2 TYR 31 0.345 -0.667 2.986 251 HE1 TYR 31 HE1 TYR 31 -3.601 1.523 4.926 252 HE2 TYR 31 HE2 TYR 31 0.079 -0.619 5.418 253 HH TYR 31 HH TYR 31 -1.097 0.303 7.144 254 H LYS 32 H LYS 32 1.347 1.716 0.663 255 HA LYS 32 HA LYS 32 2.161 3.207 2.826 256 1HB LYS 32 1HB LYS 32 3.582 2.634 0.188 257 2HB LYS 32 2HB LYS 32 4.374 3.290 1.645 258 1HG LYS 32 1HG LYS 32 3.190 0.502 1.265 259 2HG LYS 32 2HG LYS 32 4.884 1.022 1.461 260 1HD LYS 32 1HD LYS 32 2.676 0.971 3.578 261 2HD LYS 32 2HD LYS 32 4.131 -0.059 3.466 262 1HE LYS 32 1HE LYS 32 5.571 2.039 3.820 263 2HE LYS 32 2HE LYS 32 4.019 2.951 4.122 264 1HZ LYS 32 1HZ LYS 32 5.084 0.633 5.685 265 2HZ LYS 32 2HZ LYS 32 3.532 1.292 5.844 266 3HZ LYS 32 3HZ LYS 32 4.884 2.213 6.223 267 H GLN 33 H GLN 33 1.430 4.340 -0.486 268 HA GLN 33 HA GLN 33 2.488 6.878 -0.225 269 1HB GLN 33 1HB GLN 33 0.187 5.719 -1.838 270 2HB GLN 33 2HB GLN 33 0.499 7.470 -1.903 271 1HG GLN 33 1HG GLN 33 2.644 7.242 -2.917 272 2HG GLN 33 2HG GLN 33 2.691 5.471 -2.584 273 1HE2 GLN 33 1HE2 GLN 33 2.437 4.388 -4.501 274 2HE2 GLN 33 2HE2 GLN 33 1.357 4.828 -5.783 275 H ALA 34 H ALA 34 -0.969 5.997 0.114 276 HA ALA 34 HA ALA 34 -1.404 8.542 1.412 277 1HB ALA 34 1HB ALA 34 -3.253 6.369 0.458 278 2HB ALA 34 2HB ALA 34 -3.150 8.101 -0.015 279 3HB ALA 34 3HB ALA 34 -3.850 7.666 1.567 280 H THR 35 H THR 35 -0.489 5.446 2.845 281 HA THR 35 HA THR 35 -1.650 6.143 5.258 282 HB THR 35 HB THR 35 0.333 4.956 6.380 283 HG1 THR 35 HG1 THR 35 0.250 3.866 3.778 284 1HG2 THR 35 1HG2 THR 35 -2.091 4.283 6.308 285 2HG2 THR 35 2HG2 THR 35 -0.950 2.906 6.157 286 3HG2 THR 35 3HG2 THR 35 -1.800 3.521 4.694 287 H VAL 36 H VAL 36 1.776 6.791 4.017 288 HA VAL 36 HA VAL 36 1.987 8.781 6.113 289 HB VAL 36 HB VAL 36 3.799 7.548 6.110 290 1HG1 VAL 36 1HG1 VAL 36 5.306 7.149 4.113 291 2HG1 VAL 36 2HG1 VAL 36 4.003 7.722 3.032 292 3HG1 VAL 36 3HG1 VAL 36 3.760 6.272 4.062 293 1HG2 VAL 36 1HG2 VAL 36 4.641 10.036 4.501 294 2HG2 VAL 36 2HG2 VAL 36 5.582 9.119 5.726 295 3HG2 VAL 36 3HG2 VAL 36 4.133 10.044 6.233 296 H GLY 37 H GLY 37 2.411 8.848 2.526 297 1HA GLY 37 1HA GLY 37 1.556 10.560 1.338 298 2HA GLY 37 2HA GLY 37 1.790 11.701 2.730 299 H ASP 38 H ASP 38 4.459 9.704 2.261 300 HA ASP 38 HA ASP 38 5.709 11.255 0.146 301 1HB ASP 38 1HB ASP 38 6.815 10.724 2.994 302 2HB ASP 38 2HB ASP 38 7.903 11.047 1.593 303 H ASN 39 H ASN 39 7.432 9.798 -0.868 304 HA ASN 39 HA ASN 39 7.439 7.091 0.049 305 1HB ASN 39 1HB ASN 39 9.424 6.763 -1.306 306 2HB ASN 39 2HB ASN 39 8.068 7.484 -2.228 307 1HD2 ASN 39 1HD2 ASN 39 10.993 7.504 -2.760 308 2HD2 ASN 39 2HD2 ASN 39 11.366 9.189 -3.004 309 H ASP 40 H ASP 40 7.603 7.256 2.305 310 HA ASP 40 HA ASP 40 9.460 9.096 3.309 311 1HB ASP 40 1HB ASP 40 7.109 8.577 4.156 312 2HB ASP 40 2HB ASP 40 7.779 7.118 4.941 313 H LYS 41 H LYS 41 9.362 5.517 3.801 314 HA LYS 41 HA LYS 41 11.755 5.686 5.323 315 1HB LYS 41 1HB LYS 41 10.336 3.199 4.270 316 2HB LYS 41 2HB LYS 41 11.423 3.321 5.685 317 1HG LYS 41 1HG LYS 41 8.582 4.443 5.339 318 2HG LYS 41 2HG LYS 41 9.086 3.082 6.369 319 1HD LYS 41 1HD LYS 41 10.249 4.552 7.922 320 2HD LYS 41 2HD LYS 41 10.129 5.943 6.798 321 1HE LYS 41 1HE LYS 41 7.635 5.849 6.927 322 2HE LYS 41 2HE LYS 41 7.765 4.620 8.268 323 1HZ LYS 41 1HZ LYS 41 9.315 6.333 9.319 324 2HZ LYS 41 2HZ LYS 41 7.684 6.688 9.366 325 3HZ LYS 41 3HZ LYS 41 8.666 7.438 8.196 326 H GLU 42 H GLU 42 13.342 6.512 3.740 327 HA GLU 42 HA GLU 42 13.843 5.004 1.410 328 1HB GLU 42 1HB GLU 42 13.903 7.487 1.803 329 2HB GLU 42 2HB GLU 42 15.402 7.237 2.739 330 1HG GLU 42 1HG GLU 42 16.426 6.250 0.526 331 2HG GLU 42 2HG GLU 42 14.932 6.803 -0.296 332 H LYS 43 H LYS 43 14.105 3.240 3.352 333 HA LYS 43 HA LYS 43 16.636 2.125 2.770 334 1HB LYS 43 1HB LYS 43 17.232 1.609 5.198 335 2HB LYS 43 2HB LYS 43 17.678 3.177 4.484 336 1HG LYS 43 1HG LYS 43 15.840 4.330 5.604 337 2HG LYS 43 2HG LYS 43 15.249 2.793 6.316 338 1HD LYS 43 1HD LYS 43 17.338 2.485 7.555 339 2HD LYS 43 2HD LYS 43 18.095 3.892 6.758 340 1HE LYS 43 1HE LYS 43 15.651 4.056 8.656 341 2HE LYS 43 2HE LYS 43 17.369 4.351 9.126 342 1HZ LYS 43 1HZ LYS 43 15.537 6.096 7.849 343 2HZ LYS 43 2HZ LYS 43 16.957 5.965 6.918 344 3HZ LYS 43 3HZ LYS 43 17.038 6.413 8.525 345 HA PRO 44 HA PRO 44 13.134 -0.650 3.420 346 1HB PRO 44 1HB PRO 44 13.564 -2.394 1.301 347 2HB PRO 44 2HB PRO 44 12.776 -0.776 1.129 348 1HG PRO 44 1HG PRO 44 15.755 -1.399 0.705 349 2HG PRO 44 2HG PRO 44 14.606 -0.597 -0.458 350 1HD PRO 44 1HD PRO 44 16.171 0.920 1.180 351 2HD PRO 44 2HD PRO 44 14.410 1.365 0.997 352 H GLY 45 H GLY 45 13.009 -3.007 3.709 353 1HA GLY 45 1HA GLY 45 14.117 -3.221 6.056 354 2HA GLY 45 2HA GLY 45 13.310 -4.536 5.157 355 H ILE 46 H ILE 46 14.312 -5.976 6.555 356 HA ILE 46 HA ILE 46 17.126 -5.656 6.907 357 HB ILE 46 HB ILE 46 16.915 -7.134 8.756 358 1HG1 ILE 46 1HG1 ILE 46 13.983 -7.444 7.868 359 2HG1 ILE 46 2HG1 ILE 46 15.227 -8.731 7.955 360 1HG2 ILE 46 1HG2 ILE 46 16.377 -4.628 8.791 361 2HG2 ILE 46 2HG2 ILE 46 15.593 -5.584 10.092 362 3HG2 ILE 46 3HG2 ILE 46 14.629 -5.068 8.668 363 1HD1 ILE 46 1HD1 ILE 46 14.032 -7.211 10.354 364 2HD1 ILE 46 2HD1 ILE 46 15.400 -8.381 10.455 365 3HD1 ILE 46 3HD1 ILE 46 13.777 -8.928 9.901 366 H PHE 47 H PHE 47 15.053 -8.311 5.756 367 HA PHE 47 HA PHE 47 17.339 -9.836 4.890 368 1HB PHE 47 1HB PHE 47 15.356 -11.350 4.005 369 2HB PHE 47 2HB PHE 47 15.696 -11.218 5.761 370 HD1 PHE 47 HD1 PHE 47 14.066 -10.660 7.209 371 HD2 PHE 47 HD2 PHE 47 13.535 -9.658 3.111 372 HE1 PHE 47 HE1 PHE 47 11.897 -9.669 7.733 373 HE2 PHE 47 HE2 PHE 47 11.377 -8.649 3.634 374 HZ PHE 47 HZ PHE 47 10.577 -8.603 5.970 375 H ASN 48 H ASN 48 15.184 -7.531 3.731 376 HA ASN 48 HA ASN 48 14.257 -7.415 1.695 377 1HB ASN 48 1HB ASN 48 15.025 -5.322 0.873 378 2HB ASN 48 2HB ASN 48 15.041 -5.404 2.665 379 1HD2 ASN 48 1HD2 ASN 48 17.534 -7.053 2.597 380 2HD2 ASN 48 2HD2 ASN 48 18.832 -5.870 2.362 381 H MET 49 H MET 49 14.104 -9.147 0.367 382 HA MET 49 HA MET 49 16.005 -9.113 -1.876 383 1HB MET 49 1HB MET 49 13.675 -11.003 -1.213 384 2HB MET 49 2HB MET 49 14.763 -11.120 -2.634 385 1HG MET 49 1HG MET 49 16.704 -11.463 -1.067 386 2HG MET 49 2HG MET 49 15.577 -11.382 0.318 387 1HE MET 49 1HE MET 49 16.379 -15.057 0.567 388 2HE MET 49 2HE MET 49 15.988 -13.528 1.423 389 3HE MET 49 3HE MET 49 17.410 -13.606 0.318 390 H LYS 50 H LYS 50 12.514 -9.167 -1.150 391 HA LYS 50 HA LYS 50 11.862 -8.155 -3.741 392 1HB LYS 50 1HB LYS 50 10.172 -8.790 -1.275 393 2HB LYS 50 2HB LYS 50 9.526 -8.541 -2.932 394 1HG LYS 50 1HG LYS 50 11.382 -10.832 -2.002 395 2HG LYS 50 2HG LYS 50 9.621 -10.917 -2.243 396 1HD LYS 50 1HD LYS 50 9.851 -10.445 -4.637 397 2HD LYS 50 2HD LYS 50 11.637 -10.294 -4.496 398 1HE LYS 50 1HE LYS 50 11.905 -12.655 -3.919 399 2HE LYS 50 2HE LYS 50 10.124 -12.848 -3.678 400 1HZ LYS 50 1HZ LYS 50 9.857 -12.258 -6.040 401 2HZ LYS 50 2HZ LYS 50 10.609 -13.726 -5.755 402 3HZ LYS 50 3HZ LYS 50 11.523 -12.410 -6.287 403 H ASP 51 H ASP 51 12.043 -6.831 -0.464 404 HA ASP 51 HA ASP 51 10.341 -4.760 -0.717 405 1HB ASP 51 1HB ASP 51 12.842 -4.735 1.040 406 2HB ASP 51 2HB ASP 51 11.268 -3.916 1.318 407 H ARG 52 H ARG 52 13.520 -5.011 -2.016 408 HA ARG 52 HA ARG 52 14.220 -2.393 -2.471 409 1HB ARG 52 1HB ARG 52 14.537 -4.884 -4.245 410 2HB ARG 52 2HB ARG 52 15.508 -3.387 -4.389 411 1HG ARG 52 1HG ARG 52 16.495 -3.769 -2.157 412 2HG ARG 52 2HG ARG 52 15.452 -5.202 -1.896 413 1HD ARG 52 1HD ARG 52 16.508 -6.350 -3.867 414 2HD ARG 52 2HD ARG 52 17.640 -4.964 -4.067 415 HE ARG 52 HE ARG 52 17.452 -6.809 -1.655 416 1HH1 ARG 52 1HH1 ARG 52 19.250 -4.080 -3.188 417 2HH1 ARG 52 2HH1 ARG 52 20.633 -4.400 -2.216 418 1HH2 ARG 52 1HH2 ARG 52 19.197 -7.037 -0.377 419 2HH2 ARG 52 2HH2 ARG 52 20.547 -5.924 -0.451 420 H TYR 53 H TYR 53 11.995 -4.529 -4.210 421 HA TYR 53 HA TYR 53 11.634 -2.632 -6.351 422 1HB TYR 53 1HB TYR 53 10.430 -5.429 -5.952 423 2HB TYR 53 2HB TYR 53 10.426 -4.453 -7.473 424 HD1 TYR 53 HD1 TYR 53 12.124 -6.940 -5.682 425 HD2 TYR 53 HD2 TYR 53 12.843 -3.557 -8.153 426 HE1 TYR 53 HE1 TYR 53 14.403 -7.716 -6.074 427 HE2 TYR 53 HE2 TYR 53 15.111 -4.340 -8.575 428 HH TYR 53 HH TYR 53 16.346 -7.350 -7.141 429 H LYS 54 H LYS 54 9.802 -3.990 -3.608 430 HA LYS 54 HA LYS 54 7.431 -2.661 -3.908 431 1HB LYS 54 1HB LYS 54 9.116 -3.009 -1.356 432 2HB LYS 54 2HB LYS 54 7.375 -2.648 -1.393 433 1HG LYS 54 1HG LYS 54 8.600 -5.244 -2.490 434 2HG LYS 54 2HG LYS 54 7.963 -5.001 -0.832 435 1HD LYS 54 1HD LYS 54 5.709 -4.476 -1.701 436 2HD LYS 54 2HD LYS 54 6.338 -4.524 -3.378 437 1HE LYS 54 1HE LYS 54 5.106 -6.611 -2.903 438 2HE LYS 54 2HE LYS 54 6.858 -6.975 -3.143 439 1HZ LYS 54 1HZ LYS 54 5.487 -6.696 -0.499 440 2HZ LYS 54 2HZ LYS 54 7.108 -7.098 -0.721 441 3HZ LYS 54 3HZ LYS 54 5.912 -8.133 -1.270 442 H TRP 55 H TRP 55 10.433 -1.416 -2.340 443 HA TRP 55 HA TRP 55 9.298 1.074 -1.901 444 1HB TRP 55 1HB TRP 55 11.307 -0.190 -0.780 445 2HB TRP 55 2HB TRP 55 12.311 0.617 -2.030 446 HD1 TRP 55 HD1 TRP 55 10.047 1.345 1.075 447 HE1 TRP 55 HE1 TRP 55 9.806 3.870 1.362 448 HE3 TRP 55 HE3 TRP 55 13.091 2.847 -2.670 449 HZ2 TRP 55 HZ2 TRP 55 11.222 6.184 0.495 450 HZ3 TRP 55 HZ3 TRP 55 13.654 5.237 -2.876 451 HH2 TRP 55 HH2 TRP 55 12.751 6.874 -1.308 452 H GLU 56 H GLU 56 11.034 -0.180 -4.696 453 HA GLU 56 HA GLU 56 11.502 2.313 -5.926 454 1HB GLU 56 1HB GLU 56 12.721 0.252 -6.463 455 2HB GLU 56 2HB GLU 56 11.216 -0.537 -7.022 456 1HG GLU 56 1HG GLU 56 11.041 1.037 -8.941 457 2HG GLU 56 2HG GLU 56 12.442 1.983 -8.316 458 H ALA 57 H ALA 57 8.774 0.032 -5.893 459 HA ALA 57 HA ALA 57 7.342 1.288 -7.933 460 1HB ALA 57 1HB ALA 57 6.961 -1.079 -7.237 461 2HB ALA 57 2HB ALA 57 5.447 -0.129 -7.097 462 3HB ALA 57 3HB ALA 57 6.402 -0.521 -5.621 463 H TRP 58 H TRP 58 7.768 1.902 -4.554 464 HA TRP 58 HA TRP 58 5.485 3.561 -4.242 465 1HB TRP 58 1HB TRP 58 6.425 2.102 -2.410 466 2HB TRP 58 2HB TRP 58 7.914 3.112 -2.385 467 HD1 TRP 58 HD1 TRP 58 4.680 5.047 -2.628 468 HE1 TRP 58 HE1 TRP 58 4.173 6.062 -0.261 469 HE3 TRP 58 HE3 TRP 58 7.951 2.369 0.082 470 HZ2 TRP 58 HZ2 TRP 58 5.356 5.999 2.235 471 HZ3 TRP 58 HZ3 TRP 58 8.154 2.768 2.491 472 HH2 TRP 58 HH2 TRP 58 6.934 4.560 3.571 473 H GLU 59 H GLU 59 9.016 3.982 -4.549 474 HA GLU 59 HA GLU 59 9.185 6.688 -4.428 475 1HB GLU 59 1HB GLU 59 11.072 4.940 -4.499 476 2HB GLU 59 2HB GLU 59 10.837 4.897 -6.263 477 1HG GLU 59 1HG GLU 59 11.171 7.583 -6.050 478 2HG GLU 59 2HG GLU 59 11.916 7.151 -4.475 479 H ASN 60 H ASN 60 8.117 4.748 -7.218 480 HA ASN 60 HA ASN 60 8.209 6.749 -9.118 481 1HB ASN 60 1HB ASN 60 6.070 4.593 -8.682 482 2HB ASN 60 2HB ASN 60 6.159 5.633 -10.146 483 1HD2 ASN 60 1HD2 ASN 60 6.569 2.605 -9.644 484 2HD2 ASN 60 2HD2 ASN 60 8.134 2.245 -10.285 485 H LEU 61 H LEU 61 5.939 6.445 -6.433 486 HA LEU 61 HA LEU 61 4.698 8.951 -7.381 487 1HB LEU 61 1HB LEU 61 3.465 6.481 -6.218 488 2HB LEU 61 2HB LEU 61 2.765 8.058 -5.741 489 HG LEU 61 HG LEU 61 2.662 8.707 -8.168 490 1HD1 LEU 61 1HD1 LEU 61 4.065 7.096 -9.294 491 2HD1 LEU 61 2HD1 LEU 61 2.373 6.705 -9.779 492 3HD1 LEU 61 3HD1 LEU 61 3.205 5.699 -8.518 493 1HD2 LEU 61 1HD2 LEU 61 0.689 8.087 -6.784 494 2HD2 LEU 61 2HD2 LEU 61 0.924 6.353 -7.218 495 3HD2 LEU 61 3HD2 LEU 61 0.480 7.543 -8.501 496 H LYS 62 H LYS 62 7.089 8.595 -5.801 497 HA LYS 62 HA LYS 62 7.313 9.202 -3.399 498 1HB LYS 62 1HB LYS 62 9.059 10.957 -4.042 499 2HB LYS 62 2HB LYS 62 9.097 9.426 -4.932 500 1HG LYS 62 1HG LYS 62 7.505 10.774 -6.660 501 2HG LYS 62 2HG LYS 62 8.324 12.183 -5.950 502 1HD LYS 62 1HD LYS 62 10.435 11.474 -6.838 503 2HD LYS 62 2HD LYS 62 9.951 9.754 -6.844 504 1HE LYS 62 1HE LYS 62 8.297 10.181 -8.698 505 2HE LYS 62 2HE LYS 62 8.905 11.883 -8.814 506 1HZ LYS 62 1HZ LYS 62 11.108 10.971 -9.250 507 2HZ LYS 62 2HZ LYS 62 9.979 10.410 -10.401 508 3HZ LYS 62 3HZ LYS 62 10.535 9.399 -9.173 509 H GLY 63 H GLY 63 5.852 11.865 -5.274 510 1HA GLY 63 1HA GLY 63 5.524 13.274 -2.696 511 2HA GLY 63 2HA GLY 63 6.086 14.022 -4.223 512 H LYS 64 H LYS 64 3.915 12.288 -5.646 513 HA LYS 64 HA LYS 64 1.759 14.191 -5.036 514 1HB LYS 64 1HB LYS 64 0.911 13.784 -7.191 515 2HB LYS 64 2HB LYS 64 2.676 13.776 -7.440 516 1HG LYS 64 1HG LYS 64 2.645 11.256 -7.362 517 2HG LYS 64 2HG LYS 64 0.877 11.285 -7.107 518 1HD LYS 64 1HD LYS 64 0.521 12.472 -9.261 519 2HD LYS 64 2HD LYS 64 2.291 12.565 -9.519 520 1HE LYS 64 1HE LYS 64 2.413 10.058 -9.654 521 2HE LYS 64 2HE LYS 64 0.607 9.960 -9.465 522 1HZ LYS 64 1HZ LYS 64 1.403 9.890 -11.766 523 2HZ LYS 64 2HZ LYS 64 2.084 11.424 -11.591 524 3HZ LYS 64 3HZ LYS 64 0.397 11.239 -11.490 525 H SER 65 H SER 65 2.767 11.304 -4.106 526 HA SER 65 HA SER 65 1.086 9.366 -4.092 527 1HB SER 65 1HB SER 65 1.815 9.128 -1.511 528 2HB SER 65 2HB SER 65 3.154 9.380 -2.667 529 HG SER 65 HG SER 65 3.484 10.864 -1.139 530 H GLN 66 H GLN 66 0.615 11.644 -1.477 531 HA GLN 66 HA GLN 66 -1.402 10.280 -0.364 532 1HB GLN 66 1HB GLN 66 -0.026 12.611 0.150 533 2HB GLN 66 2HB GLN 66 -1.650 13.270 -0.099 534 1HG GLN 66 1HG GLN 66 -2.532 11.427 1.520 535 2HG GLN 66 2HG GLN 66 -0.813 10.957 1.780 536 1HE2 GLN 66 1HE2 GLN 66 -0.119 11.705 3.767 537 2HE2 GLN 66 2HE2 GLN 66 -0.683 13.156 4.527 538 H GLU 67 H GLU 67 -1.802 12.636 -2.905 539 HA GLU 67 HA GLU 67 -4.701 12.525 -2.732 540 1HB GLU 67 1HB GLU 67 -2.885 14.175 -4.537 541 2HB GLU 67 2HB GLU 67 -4.668 14.325 -4.380 542 1HG GLU 67 1HG GLU 67 -4.296 14.935 -1.911 543 2HG GLU 67 2HG GLU 67 -2.530 14.984 -2.252 544 H ASP 68 H ASP 68 -2.131 10.954 -4.666 545 HA ASP 68 HA ASP 68 -4.189 10.374 -6.679 546 1HB ASP 68 1HB ASP 68 -1.179 10.483 -6.609 547 2HB ASP 68 2HB ASP 68 -1.847 9.043 -7.450 548 H ALA 69 H ALA 69 -2.194 8.830 -4.216 549 HA ALA 69 HA ALA 69 -2.825 6.271 -4.462 550 1HB ALA 69 1HB ALA 69 -2.615 7.990 -1.953 551 2HB ALA 69 2HB ALA 69 -1.321 7.107 -2.822 552 3HB ALA 69 3HB ALA 69 -2.593 6.166 -1.948 553 H GLU 70 H GLU 70 -4.750 8.503 -2.337 554 HA GLU 70 HA GLU 70 -6.809 6.832 -1.788 555 1HB GLU 70 1HB GLU 70 -8.064 8.665 -1.129 556 2HB GLU 70 2HB GLU 70 -6.369 8.885 -0.663 557 1HG GLU 70 1HG GLU 70 -6.139 10.816 -1.885 558 2HG GLU 70 2HG GLU 70 -6.907 10.090 -3.334 559 H LYS 71 H LYS 71 -6.587 8.560 -4.906 560 HA LYS 71 HA LYS 71 -9.316 7.850 -5.555 561 1HB LYS 71 1HB LYS 71 -7.121 9.505 -6.873 562 2HB LYS 71 2HB LYS 71 -8.666 9.141 -7.707 563 1HG LYS 71 1HG LYS 71 -9.972 10.440 -6.217 564 2HG LYS 71 2HG LYS 71 -8.729 10.388 -4.937 565 1HD LYS 71 1HD LYS 71 -8.729 12.613 -5.809 566 2HD LYS 71 2HD LYS 71 -7.206 11.759 -6.211 567 1HE LYS 71 1HE LYS 71 -8.044 11.400 -8.577 568 2HE LYS 71 2HE LYS 71 -9.544 12.326 -8.172 569 1HZ LYS 71 1HZ LYS 71 -7.674 13.554 -9.267 570 2HZ LYS 71 2HZ LYS 71 -6.794 13.416 -7.845 571 3HZ LYS 71 3HZ LYS 71 -8.261 14.279 -7.860 572 H GLU 72 H GLU 72 -6.027 6.764 -6.388 573 HA GLU 72 HA GLU 72 -7.184 4.986 -8.370 574 1HB GLU 72 1HB GLU 72 -4.412 5.599 -7.353 575 2HB GLU 72 2HB GLU 72 -4.707 4.191 -8.428 576 1HG GLU 72 1HG GLU 72 -5.616 7.044 -9.153 577 2HG GLU 72 2HG GLU 72 -3.957 6.438 -9.511 578 H TYR 73 H TYR 73 -6.291 4.840 -4.943 579 HA TYR 73 HA TYR 73 -5.867 2.125 -4.911 580 1HB TYR 73 1HB TYR 73 -5.193 3.779 -3.103 581 2HB TYR 73 2HB TYR 73 -6.896 3.793 -2.538 582 HD1 TYR 73 HD1 TYR 73 -4.111 1.486 -3.457 583 HD2 TYR 73 HD2 TYR 73 -7.478 2.144 -0.960 584 HE1 TYR 73 HE1 TYR 73 -3.366 -0.347 -2.004 585 HE2 TYR 73 HE2 TYR 73 -6.808 0.236 0.423 586 HH TYR 73 HH TYR 73 -3.830 -1.619 -0.150 587 H ILE 74 H ILE 74 -8.885 3.925 -4.005 588 HA ILE 74 HA ILE 74 -10.634 2.000 -3.664 589 HB ILE 74 HB ILE 74 -11.221 4.223 -3.571 590 1HG1 ILE 74 1HG1 ILE 74 -12.766 3.006 -5.961 591 2HG1 ILE 74 2HG1 ILE 74 -13.008 2.517 -4.262 592 1HG2 ILE 74 1HG2 ILE 74 -11.393 5.777 -5.438 593 2HG2 ILE 74 2HG2 ILE 74 -10.815 4.547 -6.597 594 3HG2 ILE 74 3HG2 ILE 74 -9.722 5.173 -5.299 595 1HD1 ILE 74 1HD1 ILE 74 -13.779 4.875 -3.733 596 2HD1 ILE 74 2HD1 ILE 74 -14.760 4.105 -5.028 597 3HD1 ILE 74 3HD1 ILE 74 -13.524 5.329 -5.458 598 H ALA 75 H ALA 75 -9.553 2.932 -6.915 599 HA ALA 75 HA ALA 75 -11.294 1.108 -8.166 600 1HB ALA 75 1HB ALA 75 -8.793 2.694 -9.126 601 2HB ALA 75 2HB ALA 75 -10.472 3.339 -9.103 602 3HB ALA 75 3HB ALA 75 -10.039 2.004 -10.229 603 H LEU 76 H LEU 76 -7.975 0.757 -7.114 604 HA LEU 76 HA LEU 76 -7.568 -1.705 -8.539 605 1HB LEU 76 1HB LEU 76 -6.261 -0.564 -5.997 606 2HB LEU 76 2HB LEU 76 -5.667 -1.995 -6.899 607 HG LEU 76 HG LEU 76 -5.836 0.835 -8.080 608 1HD1 LEU 76 1HD1 LEU 76 -3.426 -0.616 -6.812 609 2HD1 LEU 76 2HD1 LEU 76 -4.418 0.629 -5.982 610 3HD1 LEU 76 3HD1 LEU 76 -3.476 1.070 -7.469 611 1HD2 LEU 76 1HD2 LEU 76 -4.285 -1.687 -8.977 612 2HD2 LEU 76 2HD2 LEU 76 -4.194 -0.052 -9.742 613 3HD2 LEU 76 3HD2 LEU 76 -5.731 -0.988 -9.797 614 H VAL 77 H VAL 77 -8.374 -0.741 -5.185 615 HA VAL 77 HA VAL 77 -8.396 -3.357 -4.159 616 HB VAL 77 HB VAL 77 -9.073 -0.643 -3.111 617 1HG1 VAL 77 1HG1 VAL 77 -9.134 -1.861 -0.846 618 2HG1 VAL 77 2HG1 VAL 77 -9.377 -3.400 -1.748 619 3HG1 VAL 77 3HG1 VAL 77 -10.611 -2.091 -1.859 620 1HG2 VAL 77 1HG2 VAL 77 -7.040 -1.408 -1.687 621 2HG2 VAL 77 2HG2 VAL 77 -6.665 -1.195 -3.442 622 3HG2 VAL 77 3HG2 VAL 77 -6.922 -2.845 -2.738 623 H ASP 78 H ASP 78 -10.949 -1.399 -5.759 624 HA ASP 78 HA ASP 78 -12.984 -2.999 -4.799 625 1HB ASP 78 1HB ASP 78 -13.066 -0.791 -6.147 626 2HB ASP 78 2HB ASP 78 -12.819 -1.812 -7.623 627 H GLN 79 H GLN 79 -10.630 -3.538 -7.377 628 HA GLN 79 HA GLN 79 -11.941 -5.911 -8.335 629 1HB GLN 79 1HB GLN 79 -9.235 -4.733 -9.088 630 2HB GLN 79 2HB GLN 79 -10.148 -6.022 -9.943 631 1HG GLN 79 1HG GLN 79 -12.052 -4.328 -10.271 632 2HG GLN 79 2HG GLN 79 -10.949 -3.052 -9.659 633 1HE2 GLN 79 1HE2 GLN 79 -8.480 -4.111 -11.022 634 2HE2 GLN 79 2HE2 GLN 79 -8.757 -3.790 -12.707 635 H LEU 80 H LEU 80 -9.641 -5.115 -5.881 636 HA LEU 80 HA LEU 80 -8.703 -7.831 -5.496 637 1HB LEU 80 1HB LEU 80 -8.633 -5.315 -3.782 638 2HB LEU 80 2HB LEU 80 -8.277 -6.931 -3.138 639 HG LEU 80 HG LEU 80 -6.546 -7.245 -4.957 640 1HD1 LEU 80 1HD1 LEU 80 -6.671 -4.179 -5.181 641 2HD1 LEU 80 2HD1 LEU 80 -7.125 -5.352 -6.475 642 3HD1 LEU 80 3HD1 LEU 80 -5.427 -5.267 -5.897 643 1HD2 LEU 80 1HD2 LEU 80 -4.824 -6.085 -3.564 644 2HD2 LEU 80 2HD2 LEU 80 -6.080 -6.854 -2.526 645 3HD2 LEU 80 3HD2 LEU 80 -6.111 -5.073 -2.803 646 H ILE 81 H ILE 81 -11.011 -5.678 -3.747 647 HA ILE 81 HA ILE 81 -11.805 -7.608 -1.991 648 HB ILE 81 HB ILE 81 -12.816 -5.047 -3.038 649 1HG1 ILE 81 1HG1 ILE 81 -10.799 -5.310 -1.468 650 2HG1 ILE 81 2HG1 ILE 81 -12.020 -4.077 -1.043 651 1HG2 ILE 81 1HG2 ILE 81 -14.528 -4.877 -1.166 652 2HG2 ILE 81 2HG2 ILE 81 -14.332 -6.636 -0.864 653 3HG2 ILE 81 3HG2 ILE 81 -14.972 -6.043 -2.443 654 1HD1 ILE 81 1HD1 ILE 81 -12.011 -6.892 0.223 655 2HD1 ILE 81 2HD1 ILE 81 -12.944 -5.450 0.751 656 3HD1 ILE 81 3HD1 ILE 81 -11.160 -5.467 0.935 657 H ALA 82 H ALA 82 -13.331 -6.706 -5.085 658 HA ALA 82 HA ALA 82 -15.600 -8.263 -4.811 659 1HB ALA 82 1HB ALA 82 -14.003 -7.573 -7.348 660 2HB ALA 82 2HB ALA 82 -15.300 -6.575 -6.585 661 3HB ALA 82 3HB ALA 82 -15.712 -8.163 -7.316 662 H LYS 83 H LYS 83 -12.301 -9.352 -5.601 663 HA LYS 83 HA LYS 83 -13.301 -12.032 -6.145 664 1HB LYS 83 1HB LYS 83 -10.490 -10.823 -5.982 665 2HB LYS 83 2HB LYS 83 -10.847 -12.544 -6.367 666 1HG LYS 83 1HG LYS 83 -11.998 -11.790 -8.462 667 2HG LYS 83 2HG LYS 83 -11.658 -10.087 -8.002 668 1HD LYS 83 1HD LYS 83 -9.165 -10.799 -7.824 669 2HD LYS 83 2HD LYS 83 -9.629 -12.275 -8.738 670 1HE LYS 83 1HE LYS 83 -10.488 -10.782 -10.613 671 2HE LYS 83 2HE LYS 83 -10.085 -9.342 -9.586 672 1HZ LYS 83 1HZ LYS 83 -7.725 -10.304 -9.614 673 2HZ LYS 83 2HZ LYS 83 -8.294 -9.491 -10.930 674 3HZ LYS 83 3HZ LYS 83 -8.216 -11.183 -10.987 675 H TYR 84 H TYR 84 -11.590 -10.033 -3.683 676 HA TYR 84 HA TYR 84 -10.709 -12.449 -2.457 677 1HB TYR 84 1HB TYR 84 -10.047 -9.492 -2.009 678 2HB TYR 84 2HB TYR 84 -9.227 -10.836 -1.155 679 HD1 TYR 84 HD1 TYR 84 -9.407 -12.356 -4.233 680 HD2 TYR 84 HD2 TYR 84 -7.705 -8.974 -2.302 681 HE1 TYR 84 HE1 TYR 84 -7.651 -12.272 -5.919 682 HE2 TYR 84 HE2 TYR 84 -5.876 -8.978 -3.876 683 HH TYR 84 HH TYR 84 -5.109 -9.770 -5.750 684 H SER 85 H SER 85 -13.041 -9.985 -1.589 685 HA SER 85 HA SER 85 -12.947 -9.836 1.016 686 1HB SER 85 1HB SER 85 -14.582 -8.721 -0.522 687 2HB SER 85 2HB SER 85 -15.594 -10.195 -0.469 688 HG SER 85 HG SER 85 -16.040 -8.432 1.054 689 H SER 86 H SER 86 -14.748 -12.473 -0.563 690 HA SER 86 HA SER 86 -13.732 -14.366 1.140 691 1HB SER 86 1HB SER 86 -16.660 -13.612 1.708 692 2HB SER 86 2HB SER 86 -16.018 -15.264 2.011 693 HG SER 86 HG SER 86 -14.744 -12.984 3.029 Start of MODEL 17 1 1H VAL 1 1H VAL 1 -11.470 11.223 -3.776 2 2H VAL 1 2H VAL 1 -10.967 9.645 -3.672 3 3H VAL 1 3H VAL 1 -9.894 10.927 -3.369 4 HA VAL 1 HA VAL 1 -10.828 11.474 -1.373 5 HB VAL 1 HB VAL 1 -13.177 9.775 -2.223 6 1HG1 VAL 1 1HG1 VAL 1 -12.934 9.428 0.221 7 2HG1 VAL 1 2HG1 VAL 1 -14.247 10.596 -0.092 8 3HG1 VAL 1 3HG1 VAL 1 -12.654 11.206 0.469 9 1HG2 VAL 1 1HG2 VAL 1 -14.348 11.988 -1.997 10 2HG2 VAL 1 2HG2 VAL 1 -13.088 12.057 -3.260 11 3HG2 VAL 1 3HG2 VAL 1 -12.784 12.788 -1.638 12 H SER 2 H SER 2 -9.754 10.727 0.270 13 HA SER 2 HA SER 2 -8.567 8.197 0.311 14 1HB SER 2 1HB SER 2 -8.519 10.620 2.193 15 2HB SER 2 2HB SER 2 -7.424 9.203 2.350 16 HG SER 2 HG SER 2 -7.560 10.819 0.004 17 H GLN 3 H GLN 3 -11.608 9.036 1.510 18 HA GLN 3 HA GLN 3 -11.419 7.895 4.079 19 1HB GLN 3 1HB GLN 3 -13.820 8.150 2.190 20 2HB GLN 3 2HB GLN 3 -13.915 7.628 3.898 21 1HG GLN 3 1HG GLN 3 -12.962 9.830 4.645 22 2HG GLN 3 2HG GLN 3 -12.935 10.393 2.937 23 1HE2 GLN 3 1HE2 GLN 3 -14.853 10.228 5.763 24 2HE2 GLN 3 2HE2 GLN 3 -16.398 10.577 5.030 25 H LEU 4 H LEU 4 -12.604 6.556 1.011 26 HA LEU 4 HA LEU 4 -13.115 3.935 1.834 27 1HB LEU 4 1HB LEU 4 -12.733 3.619 -0.784 28 2HB LEU 4 2HB LEU 4 -14.185 4.530 -0.190 29 HG LEU 4 HG LEU 4 -11.587 5.946 -0.697 30 1HD1 LEU 4 1HD1 LEU 4 -11.992 6.128 -3.140 31 2HD1 LEU 4 2HD1 LEU 4 -13.459 5.078 -2.981 32 3HD1 LEU 4 3HD1 LEU 4 -11.821 4.405 -2.603 33 1HD2 LEU 4 1HD2 LEU 4 -13.192 7.737 -1.663 34 2HD2 LEU 4 2HD2 LEU 4 -13.709 7.316 0.018 35 3HD2 LEU 4 3HD2 LEU 4 -14.568 6.621 -1.397 36 H PHE 5 H PHE 5 -10.240 5.617 0.683 37 HA PHE 5 HA PHE 5 -8.614 3.451 0.220 38 1HB PHE 5 1HB PHE 5 -8.115 5.792 -0.424 39 2HB PHE 5 2HB PHE 5 -8.066 6.276 1.307 40 HD1 PHE 5 HD1 PHE 5 -6.202 4.801 -1.399 41 HD2 PHE 5 HD2 PHE 5 -6.326 5.556 2.771 42 HE1 PHE 5 HE1 PHE 5 -3.807 4.248 -1.236 43 HE2 PHE 5 HE2 PHE 5 -3.939 5.010 2.965 44 HZ PHE 5 HZ PHE 5 -2.677 4.425 0.954 45 H GLU 6 H GLU 6 -9.165 5.213 3.328 46 HA GLU 6 HA GLU 6 -7.511 3.222 4.634 47 1HB GLU 6 1HB GLU 6 -8.863 5.703 5.695 48 2HB GLU 6 2HB GLU 6 -8.214 4.426 6.777 49 1HG GLU 6 1HG GLU 6 -5.976 4.584 5.644 50 2HG GLU 6 2HG GLU 6 -6.580 6.002 4.719 51 H GLU 7 H GLU 7 -10.833 3.447 3.857 52 HA GLU 7 HA GLU 7 -11.767 1.632 5.850 53 1HB GLU 7 1HB GLU 7 -12.595 2.103 2.923 54 2HB GLU 7 2HB GLU 7 -13.499 1.026 4.036 55 1HG GLU 7 1HG GLU 7 -12.957 4.001 4.515 56 2HG GLU 7 2HG GLU 7 -14.338 3.376 3.533 57 H LYS 8 H LYS 8 -10.965 1.190 2.470 58 HA LYS 8 HA LYS 8 -11.027 -1.663 2.820 59 1HB LYS 8 1HB LYS 8 -10.644 0.027 0.318 60 2HB LYS 8 2HB LYS 8 -10.974 -1.746 0.363 61 1HG LYS 8 1HG LYS 8 -12.861 0.536 1.165 62 2HG LYS 8 2HG LYS 8 -12.978 -0.567 -0.234 63 1HD LYS 8 1HD LYS 8 -13.258 -2.510 1.387 64 2HD LYS 8 2HD LYS 8 -13.284 -1.316 2.724 65 1HE LYS 8 1HE LYS 8 -15.305 -0.202 1.603 66 2HE LYS 8 2HE LYS 8 -15.318 -1.562 0.408 67 1HZ LYS 8 1HZ LYS 8 -15.604 -1.761 3.367 68 2HZ LYS 8 2HZ LYS 8 -15.486 -3.077 2.356 69 3HZ LYS 8 3HZ LYS 8 -16.818 -2.024 2.213 70 H ALA 9 H ALA 9 -8.279 0.611 2.723 71 HA ALA 9 HA ALA 9 -6.577 -1.203 1.480 72 1HB ALA 9 1HB ALA 9 -6.098 1.299 1.745 73 2HB ALA 9 2HB ALA 9 -4.805 0.213 2.328 74 3HB ALA 9 3HB ALA 9 -5.912 1.043 3.514 75 H LYS 10 H LYS 10 -7.440 -0.427 4.757 76 HA LYS 10 HA LYS 10 -5.824 -2.059 6.267 77 1HB LYS 10 1HB LYS 10 -8.247 -0.462 6.423 78 2HB LYS 10 2HB LYS 10 -8.579 -1.978 7.275 79 1HG LYS 10 1HG LYS 10 -6.190 -0.105 7.767 80 2HG LYS 10 2HG LYS 10 -7.684 -0.117 8.743 81 1HD LYS 10 1HD LYS 10 -5.676 -2.452 8.509 82 2HD LYS 10 2HD LYS 10 -5.811 -1.305 9.867 83 1HE LYS 10 1HE LYS 10 -8.145 -2.121 10.336 84 2HE LYS 10 2HE LYS 10 -7.989 -3.325 9.001 85 1HZ LYS 10 1HZ LYS 10 -6.223 -4.399 10.171 86 2HZ LYS 10 2HZ LYS 10 -7.518 -4.236 11.192 87 3HZ LYS 10 3HZ LYS 10 -6.193 -3.237 11.406 88 H ALA 11 H ALA 11 -8.757 -2.839 4.422 89 HA ALA 11 HA ALA 11 -9.099 -5.411 5.590 90 1HB ALA 11 1HB ALA 11 -11.013 -4.089 4.647 91 2HB ALA 11 2HB ALA 11 -10.842 -5.665 3.801 92 3HB ALA 11 3HB ALA 11 -10.259 -4.154 3.018 93 H VAL 12 H VAL 12 -7.907 -4.326 2.277 94 HA VAL 12 HA VAL 12 -7.482 -6.904 1.517 95 HB VAL 12 HB VAL 12 -6.212 -5.925 -0.370 96 1HG1 VAL 12 1HG1 VAL 12 -8.907 -4.608 0.309 97 2HG1 VAL 12 2HG1 VAL 12 -8.678 -6.296 -0.299 98 3HG1 VAL 12 3HG1 VAL 12 -8.189 -4.900 -1.321 99 1HG2 VAL 12 1HG2 VAL 12 -5.134 -3.940 0.703 100 2HG2 VAL 12 2HG2 VAL 12 -6.731 -3.301 1.212 101 3HG2 VAL 12 3HG2 VAL 12 -6.331 -3.359 -0.517 102 H ASN 13 H ASN 13 -5.432 -4.851 3.418 103 HA ASN 13 HA ASN 13 -3.064 -6.358 2.865 104 1HB ASN 13 1HB ASN 13 -3.869 -4.253 4.919 105 2HB ASN 13 2HB ASN 13 -2.383 -5.220 5.201 106 1HD2 ASN 13 1HD2 ASN 13 -3.894 -2.911 2.909 107 2HD2 ASN 13 2HD2 ASN 13 -2.370 -2.439 2.185 108 H GLU 14 H GLU 14 -5.786 -7.066 4.802 109 HA GLU 14 HA GLU 14 -4.268 -9.240 6.060 110 1HB GLU 14 1HB GLU 14 -5.140 -8.894 8.221 111 2HB GLU 14 2HB GLU 14 -4.436 -7.355 7.667 112 1HG GLU 14 1HG GLU 14 -6.801 -6.556 7.088 113 2HG GLU 14 2HG GLU 14 -7.445 -8.071 7.798 114 H LEU 15 H LEU 15 -6.393 -8.885 3.821 115 HA LEU 15 HA LEU 15 -8.642 -10.225 4.771 116 1HB LEU 15 1HB LEU 15 -7.745 -8.768 2.547 117 2HB LEU 15 2HB LEU 15 -7.948 -10.377 1.845 118 HG LEU 15 HG LEU 15 -10.324 -10.329 2.228 119 1HD1 LEU 15 1HD1 LEU 15 -9.944 -7.821 3.974 120 2HD1 LEU 15 2HD1 LEU 15 -10.589 -9.423 4.498 121 3HD1 LEU 15 3HD1 LEU 15 -11.518 -8.417 3.338 122 1HD2 LEU 15 1HD2 LEU 15 -9.580 -7.460 1.432 123 2HD2 LEU 15 2HD2 LEU 15 -10.962 -8.455 0.853 124 3HD2 LEU 15 3HD2 LEU 15 -9.289 -8.895 0.375 125 HA PRO 16 HA PRO 16 -7.039 -14.233 4.712 126 1HB PRO 16 1HB PRO 16 -9.124 -15.901 4.101 127 2HB PRO 16 2HB PRO 16 -9.198 -14.804 5.545 128 1HG PRO 16 1HG PRO 16 -10.465 -14.342 2.783 129 2HG PRO 16 2HG PRO 16 -11.216 -14.117 4.415 130 1HD PRO 16 1HD PRO 16 -9.915 -12.148 2.825 131 2HD PRO 16 2HD PRO 16 -10.154 -11.970 4.635 132 H THR 17 H THR 17 -8.469 -13.074 1.768 133 HA THR 17 HA THR 17 -6.985 -14.994 0.125 134 HB THR 17 HB THR 17 -9.178 -12.999 -0.564 135 HG1 THR 17 HG1 THR 17 -10.443 -14.868 -0.691 136 1HG2 THR 17 1HG2 THR 17 -7.667 -13.768 -2.511 137 2HG2 THR 17 2HG2 THR 17 -9.366 -14.349 -2.660 138 3HG2 THR 17 3HG2 THR 17 -8.078 -15.482 -2.098 139 H LYS 18 H LYS 18 -5.132 -13.902 0.982 140 HA LYS 18 HA LYS 18 -4.713 -11.235 0.913 141 1HB LYS 18 1HB LYS 18 -2.750 -13.569 0.827 142 2HB LYS 18 2HB LYS 18 -2.226 -11.875 1.085 143 1HG LYS 18 1HG LYS 18 -3.692 -11.649 3.039 144 2HG LYS 18 2HG LYS 18 -4.210 -13.347 2.923 145 1HD LYS 18 1HD LYS 18 -1.206 -12.834 3.032 146 2HD LYS 18 2HD LYS 18 -2.161 -12.385 4.465 147 1HE LYS 18 1HE LYS 18 -1.374 -14.612 4.867 148 2HE LYS 18 2HE LYS 18 -3.150 -14.710 4.582 149 1HZ LYS 18 1HZ LYS 18 -1.991 -16.422 3.462 150 2HZ LYS 18 2HZ LYS 18 -0.977 -15.366 2.638 151 3HZ LYS 18 3HZ LYS 18 -2.660 -15.427 2.298 152 HA PRO 19 HA PRO 19 -4.332 -9.955 -2.952 153 1HB PRO 19 1HB PRO 19 -1.884 -8.262 -2.428 154 2HB PRO 19 2HB PRO 19 -3.513 -7.755 -3.018 155 1HG PRO 19 1HG PRO 19 -2.761 -7.305 -0.374 156 2HG PRO 19 2HG PRO 19 -4.429 -7.878 -0.736 157 1HD PRO 19 1HD PRO 19 -1.987 -9.569 0.039 158 2HD PRO 19 2HD PRO 19 -3.660 -9.551 0.757 159 H SER 20 H SER 20 -3.293 -10.118 -5.167 160 HA SER 20 HA SER 20 -1.467 -12.317 -5.058 161 1HB SER 20 1HB SER 20 -3.465 -12.280 -6.515 162 2HB SER 20 2HB SER 20 -2.706 -10.999 -7.501 163 HG SER 20 HG SER 20 -2.500 -13.302 -8.115 164 H THR 21 H THR 21 0.162 -12.425 -6.884 165 HA THR 21 HA THR 21 2.358 -11.320 -5.947 166 HB THR 21 HB THR 21 1.993 -12.246 -8.814 167 HG1 THR 21 HG1 THR 21 2.251 -14.235 -7.973 168 1HG2 THR 21 1HG2 THR 21 4.346 -13.106 -8.431 169 2HG2 THR 21 2HG2 THR 21 4.370 -12.323 -6.809 170 3HG2 THR 21 3HG2 THR 21 4.297 -11.320 -8.309 171 H ASP 22 H ASP 22 0.954 -10.172 -9.078 172 HA ASP 22 HA ASP 22 2.837 -7.977 -9.112 173 1HB ASP 22 1HB ASP 22 0.530 -8.914 -10.948 174 2HB ASP 22 2HB ASP 22 1.532 -7.444 -11.278 175 H GLU 23 H GLU 23 -0.346 -8.551 -8.001 176 HA GLU 23 HA GLU 23 -1.303 -5.891 -8.191 177 1HB GLU 23 1HB GLU 23 -2.173 -8.290 -6.506 178 2HB GLU 23 2HB GLU 23 -3.083 -6.750 -6.583 179 1HG GLU 23 1HG GLU 23 -3.577 -7.007 -8.937 180 2HG GLU 23 2HG GLU 23 -2.417 -8.371 -9.108 181 H LEU 24 H LEU 24 0.239 -7.815 -5.664 182 HA LEU 24 HA LEU 24 0.248 -6.325 -3.508 183 1HB LEU 24 1HB LEU 24 1.497 -8.575 -4.298 184 2HB LEU 24 2HB LEU 24 2.913 -7.519 -4.364 185 HG LEU 24 HG LEU 24 2.911 -8.620 -2.271 186 1HD1 LEU 24 1HD1 LEU 24 1.685 -5.898 -1.517 187 2HD1 LEU 24 2HD1 LEU 24 3.395 -6.136 -2.027 188 3HD1 LEU 24 3HD1 LEU 24 2.765 -6.927 -0.525 189 1HD2 LEU 24 1HD2 LEU 24 1.032 -8.883 -0.755 190 2HD2 LEU 24 2HD2 LEU 24 0.473 -9.350 -2.400 191 3HD2 LEU 24 3HD2 LEU 24 0.019 -7.743 -1.704 192 H LEU 25 H LEU 25 2.812 -5.913 -6.033 193 HA LEU 25 HA LEU 25 4.138 -3.838 -5.026 194 1HB LEU 25 1HB LEU 25 3.380 -4.857 -7.793 195 2HB LEU 25 2HB LEU 25 4.441 -3.423 -7.659 196 HG LEU 25 HG LEU 25 5.624 -5.535 -8.015 197 1HD1 LEU 25 1HD1 LEU 25 6.293 -4.149 -5.327 198 2HD1 LEU 25 2HD1 LEU 25 6.731 -3.538 -6.963 199 3HD1 LEU 25 3HD1 LEU 25 7.447 -5.079 -6.351 200 1HD2 LEU 25 1HD2 LEU 25 4.941 -6.355 -5.139 201 2HD2 LEU 25 2HD2 LEU 25 6.031 -7.207 -6.290 202 3HD2 LEU 25 3HD2 LEU 25 4.259 -7.096 -6.639 203 H GLU 26 H GLU 26 1.276 -3.558 -7.148 204 HA GLU 26 HA GLU 26 1.264 -0.713 -7.035 205 1HB GLU 26 1HB GLU 26 -1.097 -2.601 -7.501 206 2HB GLU 26 2HB GLU 26 -1.030 -0.853 -7.887 207 1HG GLU 26 1HG GLU 26 0.812 -1.333 -9.563 208 2HG GLU 26 2HG GLU 26 0.616 -3.095 -9.234 209 H LEU 27 H LEU 27 -0.369 -3.255 -5.225 210 HA LEU 27 HA LEU 27 -2.076 -1.666 -3.790 211 1HB LEU 27 1HB LEU 27 -2.233 -4.069 -4.408 212 2HB LEU 27 2HB LEU 27 -0.987 -4.475 -3.198 213 HG LEU 27 HG LEU 27 -3.524 -4.901 -2.739 214 1HD1 LEU 27 1HD1 LEU 27 -1.925 -3.350 -0.593 215 2HD1 LEU 27 2HD1 LEU 27 -1.685 -5.085 -1.013 216 3HD1 LEU 27 3HD1 LEU 27 -3.252 -4.536 -0.312 217 1HD2 LEU 27 1HD2 LEU 27 -4.853 -3.087 -1.823 218 2HD2 LEU 27 2HD2 LEU 27 -4.344 -2.696 -3.505 219 3HD2 LEU 27 3HD2 LEU 27 -3.510 -1.910 -2.104 220 H TYR 28 H TYR 28 1.103 -2.944 -2.774 221 HA TYR 28 HA TYR 28 1.225 -1.641 -0.317 222 1HB TYR 28 1HB TYR 28 2.789 -3.435 -0.884 223 2HB TYR 28 2HB TYR 28 3.398 -2.516 -2.280 224 HD1 TYR 28 HD1 TYR 28 3.847 -3.183 1.216 225 HD2 TYR 28 HD2 TYR 28 4.660 -0.368 -1.861 226 HE1 TYR 28 HE1 TYR 28 5.760 -2.343 2.469 227 HE2 TYR 28 HE2 TYR 28 6.440 0.579 -0.565 228 HH TYR 28 HH TYR 28 7.591 -0.959 2.422 229 H ALA 29 H ALA 29 2.477 -0.567 -3.564 230 HA ALA 29 HA ALA 29 3.635 1.697 -2.652 231 1HB ALA 29 1HB ALA 29 3.517 2.472 -5.047 232 2HB ALA 29 2HB ALA 29 2.298 1.180 -5.375 233 3HB ALA 29 3HB ALA 29 3.982 0.743 -4.923 234 H LEU 30 H LEU 30 0.258 1.426 -3.841 235 HA LEU 30 HA LEU 30 -0.273 4.166 -3.296 236 1HB LEU 30 1HB LEU 30 -1.981 1.743 -3.962 237 2HB LEU 30 2HB LEU 30 -2.708 3.302 -3.438 238 HG LEU 30 HG LEU 30 -1.176 4.401 -5.283 239 1HD1 LEU 30 1HD1 LEU 30 -1.144 2.912 -7.376 240 2HD1 LEU 30 2HD1 LEU 30 -1.632 1.529 -6.336 241 3HD1 LEU 30 3HD1 LEU 30 -0.004 2.283 -6.108 242 1HD2 LEU 30 1HD2 LEU 30 -3.094 4.413 -6.693 243 2HD2 LEU 30 2HD2 LEU 30 -3.634 4.329 -4.956 244 3HD2 LEU 30 3HD2 LEU 30 -3.719 2.844 -6.001 245 H TYR 31 H TYR 31 -0.829 1.199 -1.399 246 HA TYR 31 HA TYR 31 -2.402 2.328 0.574 247 1HB TYR 31 1HB TYR 31 -2.215 -0.064 0.417 248 2HB TYR 31 2HB TYR 31 -0.445 0.004 0.711 249 HD1 TYR 31 HD1 TYR 31 0.003 -0.824 2.726 250 HD2 TYR 31 HD2 TYR 31 -3.323 1.802 2.436 251 HE1 TYR 31 HE1 TYR 31 -0.305 -0.928 5.152 252 HE2 TYR 31 HE2 TYR 31 -3.682 1.671 4.782 253 HH TYR 31 HH TYR 31 -2.886 0.993 6.750 254 H LYS 32 H LYS 32 1.135 1.719 0.552 255 HA LYS 32 HA LYS 32 1.722 3.310 2.762 256 1HB LYS 32 1HB LYS 32 3.519 2.596 0.393 257 2HB LYS 32 2HB LYS 32 4.072 3.189 1.982 258 1HG LYS 32 1HG LYS 32 2.826 0.481 1.286 259 2HG LYS 32 2HG LYS 32 4.451 0.864 1.891 260 1HD LYS 32 1HD LYS 32 1.814 0.972 3.473 261 2HD LYS 32 2HD LYS 32 3.160 -0.210 3.584 262 1HE LYS 32 1HE LYS 32 4.693 1.725 4.285 263 2HE LYS 32 2HE LYS 32 3.189 2.752 4.420 264 1HZ LYS 32 1HZ LYS 32 3.903 1.671 6.530 265 2HZ LYS 32 2HZ LYS 32 3.597 0.151 5.844 266 3HZ LYS 32 3HZ LYS 32 2.345 1.237 6.064 267 H GLN 33 H GLN 33 1.230 4.335 -0.646 268 HA GLN 33 HA GLN 33 2.344 6.844 -0.315 269 1HB GLN 33 1HB GLN 33 0.176 5.711 -2.064 270 2HB GLN 33 2HB GLN 33 0.263 7.487 -1.957 271 1HG GLN 33 1HG GLN 33 2.479 7.618 -2.773 272 2HG GLN 33 2HG GLN 33 2.689 5.818 -2.728 273 1HE2 GLN 33 1HE2 GLN 33 1.907 4.602 -4.440 274 2HE2 GLN 33 2HE2 GLN 33 1.048 5.286 -5.817 275 H ALA 34 H ALA 34 -1.173 6.074 0.123 276 HA ALA 34 HA ALA 34 -1.307 8.784 1.252 277 1HB ALA 34 1HB ALA 34 -3.590 7.004 0.372 278 2HB ALA 34 2HB ALA 34 -2.961 8.516 -0.373 279 3HB ALA 34 3HB ALA 34 -3.766 8.582 1.228 280 H THR 35 H THR 35 -0.930 5.575 2.568 281 HA THR 35 HA THR 35 -2.073 6.258 5.027 282 HB THR 35 HB THR 35 0.124 4.265 4.448 283 HG1 THR 35 HG1 THR 35 -1.699 3.628 3.520 284 1HG2 THR 35 1HG2 THR 35 -0.792 3.352 6.668 285 2HG2 THR 35 2HG2 THR 35 -1.709 4.893 6.864 286 3HG2 THR 35 3HG2 THR 35 0.108 4.909 6.864 287 H VAL 36 H VAL 36 1.420 6.401 3.771 288 HA VAL 36 HA VAL 36 2.093 7.741 6.199 289 HB VAL 36 HB VAL 36 3.983 7.334 3.895 290 1HG1 VAL 36 1HG1 VAL 36 5.403 6.981 6.064 291 2HG1 VAL 36 2HG1 VAL 36 3.990 7.519 6.998 292 3HG1 VAL 36 3HG1 VAL 36 4.768 8.664 5.829 293 1HG2 VAL 36 1HG2 VAL 36 3.085 5.213 5.966 294 2HG2 VAL 36 2HG2 VAL 36 4.561 5.130 4.935 295 3HG2 VAL 36 3HG2 VAL 36 2.962 5.068 4.166 296 H GLY 37 H GLY 37 2.132 8.541 2.683 297 1HA GLY 37 1HA GLY 37 1.072 10.380 2.014 298 2HA GLY 37 2HA GLY 37 1.663 11.337 3.431 299 H ASP 38 H ASP 38 4.358 9.922 2.722 300 HA ASP 38 HA ASP 38 4.969 11.044 0.119 301 1HB ASP 38 1HB ASP 38 6.611 11.392 2.719 302 2HB ASP 38 2HB ASP 38 7.316 11.643 1.078 303 H ASN 39 H ASN 39 7.141 9.867 -0.539 304 HA ASN 39 HA ASN 39 7.213 7.198 0.374 305 1HB ASN 39 1HB ASN 39 9.316 6.974 -0.846 306 2HB ASN 39 2HB ASN 39 8.015 7.715 -1.825 307 1HD2 ASN 39 1HD2 ASN 39 11.149 7.844 -1.797 308 2HD2 ASN 39 2HD2 ASN 39 11.386 9.559 -2.053 309 H ASP 40 H ASP 40 7.422 6.895 2.538 310 HA ASP 40 HA ASP 40 9.100 8.657 3.983 311 1HB ASP 40 1HB ASP 40 6.779 7.809 4.566 312 2HB ASP 40 2HB ASP 40 7.520 6.264 5.054 313 H LYS 41 H LYS 41 9.205 4.996 3.963 314 HA LYS 41 HA LYS 41 11.519 5.198 5.575 315 1HB LYS 41 1HB LYS 41 10.137 2.803 4.298 316 2HB LYS 41 2HB LYS 41 11.290 2.740 5.659 317 1HG LYS 41 1HG LYS 41 9.687 4.027 7.083 318 2HG LYS 41 2HG LYS 41 8.490 4.040 5.758 319 1HD LYS 41 1HD LYS 41 9.679 1.557 7.116 320 2HD LYS 41 2HD LYS 41 8.050 2.229 7.421 321 1HE LYS 41 1HE LYS 41 7.319 1.694 5.115 322 2HE LYS 41 2HE LYS 41 8.979 1.166 4.668 323 1HZ LYS 41 1HZ LYS 41 7.830 -0.783 5.178 324 2HZ LYS 41 2HZ LYS 41 7.155 -0.163 6.597 325 3HZ LYS 41 3HZ LYS 41 8.800 -0.480 6.527 326 H GLU 42 H GLU 42 13.150 6.142 4.077 327 HA GLU 42 HA GLU 42 13.795 4.682 1.733 328 1HB GLU 42 1HB GLU 42 13.778 7.147 2.083 329 2HB GLU 42 2HB GLU 42 15.248 6.983 3.083 330 1HG GLU 42 1HG GLU 42 16.473 6.045 1.064 331 2HG GLU 42 2HG GLU 42 14.971 6.207 0.087 332 H LYS 43 H LYS 43 13.903 2.923 3.576 333 HA LYS 43 HA LYS 43 16.473 1.780 3.264 334 1HB LYS 43 1HB LYS 43 16.858 1.222 5.688 335 2HB LYS 43 2HB LYS 43 17.275 2.857 5.116 336 1HG LYS 43 1HG LYS 43 15.337 3.858 6.154 337 2HG LYS 43 2HG LYS 43 14.675 2.256 6.616 338 1HD LYS 43 1HD LYS 43 16.612 1.816 8.062 339 2HD LYS 43 2HD LYS 43 17.380 3.362 7.588 340 1HE LYS 43 1HE LYS 43 15.624 4.673 8.690 341 2HE LYS 43 2HE LYS 43 14.644 3.191 9.020 342 1HZ LYS 43 1HZ LYS 43 16.181 2.458 10.580 343 2HZ LYS 43 2HZ LYS 43 16.038 4.112 10.875 344 3HZ LYS 43 3HZ LYS 43 17.408 3.516 10.097 345 HA PRO 44 HA PRO 44 13.365 -1.450 3.645 346 1HB PRO 44 1HB PRO 44 13.917 -2.765 1.281 347 2HB PRO 44 2HB PRO 44 12.776 -1.374 1.427 348 1HG PRO 44 1HG PRO 44 15.701 -1.267 0.512 349 2HG PRO 44 2HG PRO 44 14.226 -0.510 -0.257 350 1HD PRO 44 1HD PRO 44 15.921 0.875 1.448 351 2HD PRO 44 2HD PRO 44 14.131 1.202 1.387 352 H GLY 45 H GLY 45 14.224 -4.086 3.200 353 1HA GLY 45 1HA GLY 45 15.862 -4.018 5.460 354 2HA GLY 45 2HA GLY 45 15.232 -5.441 4.597 355 H ILE 46 H ILE 46 17.299 -6.272 5.499 356 HA ILE 46 HA ILE 46 19.666 -5.053 4.335 357 HB ILE 46 HB ILE 46 20.958 -5.951 5.968 358 1HG1 ILE 46 1HG1 ILE 46 18.626 -7.672 6.958 359 2HG1 ILE 46 2HG1 ILE 46 20.111 -8.244 6.124 360 1HG2 ILE 46 1HG2 ILE 46 18.266 -5.167 7.300 361 2HG2 ILE 46 2HG2 ILE 46 19.398 -3.980 6.539 362 3HG2 ILE 46 3HG2 ILE 46 19.888 -4.929 7.992 363 1HD1 ILE 46 1HD1 ILE 46 21.516 -7.337 8.013 364 2HD1 ILE 46 2HD1 ILE 46 20.371 -8.637 8.505 365 3HD1 ILE 46 3HD1 ILE 46 19.997 -6.929 8.902 366 H PHE 47 H PHE 47 17.948 -8.103 4.518 367 HA PHE 47 HA PHE 47 19.496 -8.992 2.178 368 1HB PHE 47 1HB PHE 47 18.627 -11.345 2.886 369 2HB PHE 47 2HB PHE 47 19.945 -10.592 3.837 370 HD1 PHE 47 HD1 PHE 47 16.184 -10.858 3.829 371 HD2 PHE 47 HD2 PHE 47 19.774 -10.480 6.074 372 HE1 PHE 47 HE1 PHE 47 14.901 -10.982 5.897 373 HE2 PHE 47 HE2 PHE 47 18.482 -10.541 8.154 374 HZ PHE 47 HZ PHE 47 16.046 -10.739 8.072 375 H ASN 48 H ASN 48 16.841 -7.307 2.829 376 HA ASN 48 HA ASN 48 14.895 -9.144 2.001 377 1HB ASN 48 1HB ASN 48 14.661 -7.248 3.739 378 2HB ASN 48 2HB ASN 48 14.237 -6.222 2.305 379 1HD2 ASN 48 1HD2 ASN 48 12.943 -8.372 4.672 380 2HD2 ASN 48 2HD2 ASN 48 11.499 -8.819 3.787 381 H MET 49 H MET 49 14.730 -9.729 -0.141 382 HA MET 49 HA MET 49 15.399 -7.884 -2.214 383 1HB MET 49 1HB MET 49 14.024 -10.610 -2.343 384 2HB MET 49 2HB MET 49 14.662 -9.686 -3.747 385 1HG MET 49 1HG MET 49 16.952 -9.742 -2.578 386 2HG MET 49 2HG MET 49 16.266 -10.932 -1.443 387 1HE MET 49 1HE MET 49 15.142 -13.100 -2.116 388 2HE MET 49 2HE MET 49 15.331 -13.967 -3.679 389 3HE MET 49 3HE MET 49 14.215 -12.570 -3.562 390 H LYS 50 H LYS 50 12.424 -9.110 -0.751 391 HA LYS 50 HA LYS 50 10.709 -8.117 -2.750 392 1HB LYS 50 1HB LYS 50 10.321 -9.319 -0.011 393 2HB LYS 50 2HB LYS 50 8.958 -8.530 -0.846 394 1HG LYS 50 1HG LYS 50 8.751 -10.801 -1.321 395 2HG LYS 50 2HG LYS 50 9.256 -10.001 -2.837 396 1HD LYS 50 1HD LYS 50 11.587 -10.899 -2.526 397 2HD LYS 50 2HD LYS 50 11.117 -11.508 -0.912 398 1HE LYS 50 1HE LYS 50 11.111 -13.427 -2.357 399 2HE LYS 50 2HE LYS 50 9.388 -13.020 -2.024 400 1HZ LYS 50 1HZ LYS 50 9.659 -11.680 -4.271 401 2HZ LYS 50 2HZ LYS 50 9.402 -13.352 -4.239 402 3HZ LYS 50 3HZ LYS 50 10.943 -12.736 -4.510 403 H ASP 51 H ASP 51 11.398 -6.812 0.547 404 HA ASP 51 HA ASP 51 9.815 -4.551 0.183 405 1HB ASP 51 1HB ASP 51 12.149 -5.188 2.043 406 2HB ASP 51 2HB ASP 51 11.409 -3.534 2.002 407 H ARG 52 H ARG 52 13.236 -5.058 -0.771 408 HA ARG 52 HA ARG 52 13.674 -2.444 -1.539 409 1HB ARG 52 1HB ARG 52 14.700 -5.087 -2.611 410 2HB ARG 52 2HB ARG 52 15.270 -3.525 -3.277 411 1HG ARG 52 1HG ARG 52 16.216 -2.837 -1.146 412 2HG ARG 52 2HG ARG 52 15.496 -4.253 -0.306 413 1HD ARG 52 1HD ARG 52 16.804 -5.807 -1.720 414 2HD ARG 52 2HD ARG 52 17.605 -4.420 -2.569 415 HE ARG 52 HE ARG 52 18.227 -3.786 0.002 416 1HH1 ARG 52 1HH1 ARG 52 18.547 -6.917 -1.760 417 2HH1 ARG 52 2HH1 ARG 52 19.789 -7.439 -0.650 418 1HH2 ARG 52 1HH2 ARG 52 19.920 -4.653 1.352 419 2HH2 ARG 52 2HH2 ARG 52 20.465 -6.276 1.065 420 H TYR 53 H TYR 53 12.101 -5.033 -3.504 421 HA TYR 53 HA TYR 53 11.764 -3.360 -5.742 422 1HB TYR 53 1HB TYR 53 10.026 -5.722 -4.821 423 2HB TYR 53 2HB TYR 53 10.008 -4.982 -6.457 424 HD1 TYR 53 HD1 TYR 53 10.994 -7.715 -4.808 425 HD2 TYR 53 HD2 TYR 53 12.575 -4.816 -7.468 426 HE1 TYR 53 HE1 TYR 53 12.650 -9.352 -5.600 427 HE2 TYR 53 HE2 TYR 53 14.190 -6.449 -8.299 428 HH TYR 53 HH TYR 53 14.708 -8.731 -8.344 429 H LYS 54 H LYS 54 9.584 -4.184 -3.019 430 HA LYS 54 HA LYS 54 7.418 -2.770 -3.855 431 1HB LYS 54 1HB LYS 54 8.449 -3.450 -1.066 432 2HB LYS 54 2HB LYS 54 6.823 -2.764 -1.349 433 1HG LYS 54 1HG LYS 54 6.048 -4.672 -2.533 434 2HG LYS 54 2HG LYS 54 7.695 -5.345 -2.734 435 1HD LYS 54 1HD LYS 54 7.925 -5.617 -0.292 436 2HD LYS 54 2HD LYS 54 6.258 -5.007 -0.036 437 1HE LYS 54 1HE LYS 54 5.343 -6.965 -1.336 438 2HE LYS 54 2HE LYS 54 7.017 -7.546 -1.644 439 1HZ LYS 54 1HZ LYS 54 5.708 -7.303 1.032 440 2HZ LYS 54 2HZ LYS 54 7.297 -7.750 0.808 441 3HZ LYS 54 3HZ LYS 54 6.074 -8.725 0.195 442 H TRP 55 H TRP 55 10.135 -1.608 -1.835 443 HA TRP 55 HA TRP 55 9.022 0.904 -1.440 444 1HB TRP 55 1HB TRP 55 10.886 -0.347 -0.136 445 2HB TRP 55 2HB TRP 55 12.024 0.339 -1.348 446 HD1 TRP 55 HD1 TRP 55 9.643 1.310 1.570 447 HE1 TRP 55 HE1 TRP 55 9.451 3.875 1.704 448 HE3 TRP 55 HE3 TRP 55 12.954 2.553 -2.057 449 HZ2 TRP 55 HZ2 TRP 55 10.995 6.081 0.828 450 HZ3 TRP 55 HZ3 TRP 55 13.569 4.928 -2.340 451 HH2 TRP 55 HH2 TRP 55 12.685 6.636 -0.880 452 H GLU 56 H GLU 56 11.090 -0.300 -4.097 453 HA GLU 56 HA GLU 56 11.580 2.329 -5.046 454 1HB GLU 56 1HB GLU 56 13.142 0.534 -5.412 455 2HB GLU 56 2HB GLU 56 11.965 -0.352 -6.427 456 1HG GLU 56 1HG GLU 56 12.100 1.298 -8.193 457 2HG GLU 56 2HG GLU 56 12.779 2.538 -7.093 458 H ALA 57 H ALA 57 9.014 -0.045 -5.512 459 HA ALA 57 HA ALA 57 7.819 1.368 -7.641 460 1HB ALA 57 1HB ALA 57 7.376 -1.027 -7.228 461 2HB ALA 57 2HB ALA 57 5.841 -0.095 -7.135 462 3HB ALA 57 3HB ALA 57 6.673 -0.637 -5.623 463 H TRP 58 H TRP 58 7.926 1.881 -4.219 464 HA TRP 58 HA TRP 58 5.542 3.437 -4.119 465 1HB TRP 58 1HB TRP 58 6.145 2.029 -2.183 466 2HB TRP 58 2HB TRP 58 7.695 2.902 -1.994 467 HD1 TRP 58 HD1 TRP 58 4.583 5.044 -2.536 468 HE1 TRP 58 HE1 TRP 58 3.988 6.146 -0.242 469 HE3 TRP 58 HE3 TRP 58 7.597 2.334 0.447 470 HZ2 TRP 58 HZ2 TRP 58 5.042 6.145 2.335 471 HZ3 TRP 58 HZ3 TRP 58 7.599 2.753 2.856 472 HH2 TRP 58 HH2 TRP 58 6.438 4.650 3.798 473 H GLU 59 H GLU 59 9.094 4.013 -3.908 474 HA GLU 59 HA GLU 59 8.921 6.749 -3.617 475 1HB GLU 59 1HB GLU 59 11.210 6.860 -3.719 476 2HB GLU 59 2HB GLU 59 10.762 5.304 -2.953 477 1HG GLU 59 1HG GLU 59 12.426 4.544 -4.224 478 2HG GLU 59 2HG GLU 59 11.123 4.352 -5.455 479 H ASN 60 H ASN 60 8.394 4.904 -6.437 480 HA ASN 60 HA ASN 60 8.950 6.902 -8.329 481 1HB ASN 60 1HB ASN 60 8.335 4.422 -8.652 482 2HB ASN 60 2HB ASN 60 6.626 4.875 -8.362 483 1HD2 ASN 60 1HD2 ASN 60 9.490 5.886 -10.370 484 2HD2 ASN 60 2HD2 ASN 60 8.551 6.292 -11.789 485 H LEU 61 H LEU 61 6.190 6.404 -6.128 486 HA LEU 61 HA LEU 61 5.050 8.932 -7.121 487 1HB LEU 61 1HB LEU 61 3.692 6.432 -6.111 488 2HB LEU 61 2HB LEU 61 2.916 8.039 -5.900 489 HG LEU 61 HG LEU 61 3.003 8.529 -8.270 490 1HD1 LEU 61 1HD1 LEU 61 4.858 7.404 -9.166 491 2HD1 LEU 61 2HD1 LEU 61 3.436 6.590 -9.902 492 3HD1 LEU 61 3HD1 LEU 61 4.324 5.783 -8.542 493 1HD2 LEU 61 1HD2 LEU 61 1.000 7.398 -7.252 494 2HD2 LEU 61 2HD2 LEU 61 1.713 5.788 -7.677 495 3HD2 LEU 61 3HD2 LEU 61 1.235 6.942 -8.984 496 H LYS 62 H LYS 62 7.207 8.648 -5.479 497 HA LYS 62 HA LYS 62 7.294 9.308 -3.053 498 1HB LYS 62 1HB LYS 62 8.848 11.336 -3.773 499 2HB LYS 62 2HB LYS 62 9.237 9.651 -4.157 500 1HG LYS 62 1HG LYS 62 9.755 11.017 -6.024 501 2HG LYS 62 2HG LYS 62 8.459 9.877 -6.474 502 1HD LYS 62 1HD LYS 62 6.796 11.610 -6.443 503 2HD LYS 62 2HD LYS 62 7.962 12.812 -5.765 504 1HE LYS 62 1HE LYS 62 9.343 12.639 -7.859 505 2HE LYS 62 2HE LYS 62 8.164 11.452 -8.552 506 1HZ LYS 62 1HZ LYS 62 6.532 13.104 -8.700 507 2HZ LYS 62 2HZ LYS 62 7.953 13.920 -9.136 508 3HZ LYS 62 3HZ LYS 62 7.290 14.126 -7.604 509 H GLY 63 H GLY 63 5.537 11.788 -4.986 510 1HA GLY 63 1HA GLY 63 5.437 13.286 -2.441 511 2HA GLY 63 2HA GLY 63 6.002 13.968 -3.997 512 H LYS 64 H LYS 64 3.740 12.291 -5.302 513 HA LYS 64 HA LYS 64 1.620 14.221 -4.557 514 1HB LYS 64 1HB LYS 64 2.769 13.582 -7.120 515 2HB LYS 64 2HB LYS 64 1.082 12.995 -7.128 516 1HG LYS 64 1HG LYS 64 0.354 15.206 -6.188 517 2HG LYS 64 2HG LYS 64 2.056 15.776 -6.296 518 1HD LYS 64 1HD LYS 64 2.051 15.378 -8.772 519 2HD LYS 64 2HD LYS 64 0.365 14.800 -8.705 520 1HE LYS 64 1HE LYS 64 1.263 17.664 -7.929 521 2HE LYS 64 2HE LYS 64 0.603 17.185 -9.544 522 1HZ LYS 64 1HZ LYS 64 -1.425 16.426 -8.384 523 2HZ LYS 64 2HZ LYS 64 -1.122 18.078 -8.160 524 3HZ LYS 64 3HZ LYS 64 -0.833 16.986 -6.926 525 H SER 65 H SER 65 2.351 11.816 -3.256 526 HA SER 65 HA SER 65 0.861 9.667 -3.781 527 1HB SER 65 1HB SER 65 1.605 10.835 -0.986 528 2HB SER 65 2HB SER 65 1.566 9.092 -1.376 529 HG SER 65 HG SER 65 3.393 9.610 -2.830 530 H GLN 66 H GLN 66 -0.163 12.323 -1.571 531 HA GLN 66 HA GLN 66 -2.487 10.820 -0.855 532 1HB GLN 66 1HB GLN 66 -1.236 13.463 -0.158 533 2HB GLN 66 2HB GLN 66 -2.935 13.124 0.364 534 1HG GLN 66 1HG GLN 66 -2.281 10.965 1.351 535 2HG GLN 66 2HG GLN 66 -0.571 11.199 0.867 536 1HE2 GLN 66 1HE2 GLN 66 -1.686 10.701 3.497 537 2HE2 GLN 66 2HE2 GLN 66 -1.200 12.035 4.521 538 H GLU 67 H GLU 67 -1.774 12.672 -3.526 539 HA GLU 67 HA GLU 67 -4.582 13.403 -3.953 540 1HB GLU 67 1HB GLU 67 -2.049 13.948 -5.588 541 2HB GLU 67 2HB GLU 67 -3.704 14.408 -6.095 542 1HG GLU 67 1HG GLU 67 -3.938 15.838 -4.013 543 2HG GLU 67 2HG GLU 67 -2.246 15.413 -3.569 544 H ASP 68 H ASP 68 -1.976 11.269 -5.232 545 HA ASP 68 HA ASP 68 -3.895 10.362 -7.220 546 1HB ASP 68 1HB ASP 68 -1.441 11.182 -7.683 547 2HB ASP 68 2HB ASP 68 -0.918 9.619 -6.974 548 H ALA 69 H ALA 69 -2.132 8.941 -4.450 549 HA ALA 69 HA ALA 69 -2.731 6.372 -4.961 550 1HB ALA 69 1HB ALA 69 -2.731 7.726 -2.231 551 2HB ALA 69 2HB ALA 69 -1.331 7.060 -3.152 552 3HB ALA 69 3HB ALA 69 -2.607 5.941 -2.539 553 H GLU 70 H GLU 70 -4.733 8.477 -2.836 554 HA GLU 70 HA GLU 70 -6.912 7.012 -2.365 555 1HB GLU 70 1HB GLU 70 -8.242 8.915 -2.215 556 2HB GLU 70 2HB GLU 70 -6.676 9.030 -1.378 557 1HG GLU 70 1HG GLU 70 -5.800 10.670 -2.813 558 2HG GLU 70 2HG GLU 70 -6.837 10.176 -4.193 559 H LYS 71 H LYS 71 -6.491 8.532 -5.633 560 HA LYS 71 HA LYS 71 -9.205 7.772 -6.312 561 1HB LYS 71 1HB LYS 71 -6.958 9.260 -7.789 562 2HB LYS 71 2HB LYS 71 -8.608 9.059 -8.442 563 1HG LYS 71 1HG LYS 71 -9.564 10.543 -6.822 564 2HG LYS 71 2HG LYS 71 -8.114 10.489 -5.773 565 1HD LYS 71 1HD LYS 71 -6.746 11.495 -7.604 566 2HD LYS 71 2HD LYS 71 -8.216 11.657 -8.608 567 1HE LYS 71 1HE LYS 71 -7.733 13.837 -7.653 568 2HE LYS 71 2HE LYS 71 -9.216 13.213 -6.826 569 1HZ LYS 71 1HZ LYS 71 -7.959 12.680 -4.927 570 2HZ LYS 71 2HZ LYS 71 -7.386 14.202 -5.366 571 3HZ LYS 71 3HZ LYS 71 -6.494 12.798 -5.723 572 H GLU 72 H GLU 72 -5.868 6.791 -7.228 573 HA GLU 72 HA GLU 72 -7.063 4.988 -9.147 574 1HB GLU 72 1HB GLU 72 -4.206 5.127 -8.153 575 2HB GLU 72 2HB GLU 72 -4.807 4.191 -9.558 576 1HG GLU 72 1HG GLU 72 -4.785 7.269 -9.269 577 2HG GLU 72 2HG GLU 72 -3.625 6.286 -10.210 578 H TYR 73 H TYR 73 -6.261 4.942 -5.739 579 HA TYR 73 HA TYR 73 -5.824 2.276 -5.473 580 1HB TYR 73 1HB TYR 73 -5.457 4.100 -3.691 581 2HB TYR 73 2HB TYR 73 -7.208 4.009 -3.313 582 HD1 TYR 73 HD1 TYR 73 -7.733 2.462 -1.595 583 HD2 TYR 73 HD2 TYR 73 -4.248 1.842 -3.936 584 HE1 TYR 73 HE1 TYR 73 -7.004 0.717 -0.053 585 HE2 TYR 73 HE2 TYR 73 -3.423 0.209 -2.322 586 HH TYR 73 HH TYR 73 -3.878 -0.977 -0.539 587 H ILE 74 H ILE 74 -9.013 3.956 -4.750 588 HA ILE 74 HA ILE 74 -10.564 1.901 -4.400 589 HB ILE 74 HB ILE 74 -11.132 4.162 -4.436 590 1HG1 ILE 74 1HG1 ILE 74 -12.878 2.287 -4.499 591 2HG1 ILE 74 2HG1 ILE 74 -13.410 3.954 -4.840 592 1HG2 ILE 74 1HG2 ILE 74 -11.276 4.134 -7.491 593 2HG2 ILE 74 2HG2 ILE 74 -10.103 5.005 -6.419 594 3HG2 ILE 74 3HG2 ILE 74 -11.848 5.428 -6.388 595 1HD1 ILE 74 1HD1 ILE 74 -14.569 2.424 -6.331 596 2HD1 ILE 74 2HD1 ILE 74 -13.036 1.772 -6.982 597 3HD1 ILE 74 3HD1 ILE 74 -13.496 3.489 -7.296 598 H ALA 75 H ALA 75 -9.596 2.741 -7.749 599 HA ALA 75 HA ALA 75 -11.128 0.517 -8.671 600 1HB ALA 75 1HB ALA 75 -10.239 1.162 -10.944 601 2HB ALA 75 2HB ALA 75 -9.063 2.276 -10.148 602 3HB ALA 75 3HB ALA 75 -10.822 2.609 -10.045 603 H LEU 76 H LEU 76 -7.955 0.585 -7.417 604 HA LEU 76 HA LEU 76 -7.245 -1.944 -8.636 605 1HB LEU 76 1HB LEU 76 -6.216 -0.612 -6.058 606 2HB LEU 76 2HB LEU 76 -5.540 -2.080 -6.828 607 HG LEU 76 HG LEU 76 -5.560 0.732 -8.057 608 1HD1 LEU 76 1HD1 LEU 76 -3.323 -0.896 -6.676 609 2HD1 LEU 76 2HD1 LEU 76 -4.172 0.530 -5.974 610 3HD1 LEU 76 3HD1 LEU 76 -3.147 0.724 -7.460 611 1HD2 LEU 76 1HD2 LEU 76 -4.082 -1.847 -8.923 612 2HD2 LEU 76 2HD2 LEU 76 -3.913 -0.224 -9.679 613 3HD2 LEU 76 3HD2 LEU 76 -5.483 -1.107 -9.785 614 H VAL 77 H VAL 77 -8.326 -0.756 -5.454 615 HA VAL 77 HA VAL 77 -8.233 -3.296 -4.264 616 HB VAL 77 HB VAL 77 -8.892 -0.516 -3.379 617 1HG1 VAL 77 1HG1 VAL 77 -9.264 -3.154 -1.807 618 2HG1 VAL 77 2HG1 VAL 77 -10.499 -1.860 -2.057 619 3HG1 VAL 77 3HG1 VAL 77 -9.049 -1.535 -1.041 620 1HG2 VAL 77 1HG2 VAL 77 -6.509 -1.200 -3.653 621 2HG2 VAL 77 2HG2 VAL 77 -6.858 -2.786 -2.846 622 3HG2 VAL 77 3HG2 VAL 77 -6.903 -1.278 -1.885 623 H ASP 78 H ASP 78 -10.951 -1.390 -5.734 624 HA ASP 78 HA ASP 78 -12.898 -2.894 -4.469 625 1HB ASP 78 1HB ASP 78 -13.220 -0.735 -5.668 626 2HB ASP 78 2HB ASP 78 -12.807 -1.562 -7.220 627 H GLN 79 H GLN 79 -10.976 -3.470 -7.368 628 HA GLN 79 HA GLN 79 -12.387 -5.884 -8.037 629 1HB GLN 79 1HB GLN 79 -9.938 -4.519 -9.231 630 2HB GLN 79 2HB GLN 79 -10.742 -5.978 -9.905 631 1HG GLN 79 1HG GLN 79 -12.901 -4.696 -10.102 632 2HG GLN 79 2HG GLN 79 -12.092 -3.217 -9.495 633 1HE2 GLN 79 1HE2 GLN 79 -10.350 -2.265 -10.843 634 2HE2 GLN 79 2HE2 GLN 79 -10.410 -2.514 -12.567 635 H LEU 80 H LEU 80 -9.822 -5.077 -5.903 636 HA LEU 80 HA LEU 80 -8.819 -7.771 -5.643 637 1HB LEU 80 1HB LEU 80 -8.655 -5.446 -3.693 638 2HB LEU 80 2HB LEU 80 -7.847 -7.026 -3.576 639 HG LEU 80 HG LEU 80 -7.276 -4.753 -5.513 640 1HD1 LEU 80 1HD1 LEU 80 -6.228 -4.781 -3.210 641 2HD1 LEU 80 2HD1 LEU 80 -5.012 -4.939 -4.543 642 3HD1 LEU 80 3HD1 LEU 80 -5.503 -6.386 -3.583 643 1HD2 LEU 80 1HD2 LEU 80 -5.574 -6.123 -6.658 644 2HD2 LEU 80 2HD2 LEU 80 -7.223 -6.790 -6.939 645 3HD2 LEU 80 3HD2 LEU 80 -6.107 -7.595 -5.780 646 H ILE 81 H ILE 81 -10.932 -5.637 -3.688 647 HA ILE 81 HA ILE 81 -11.743 -7.444 -1.835 648 HB ILE 81 HB ILE 81 -12.728 -4.950 -3.074 649 1HG1 ILE 81 1HG1 ILE 81 -10.734 -5.060 -1.495 650 2HG1 ILE 81 2HG1 ILE 81 -11.992 -3.844 -1.117 651 1HG2 ILE 81 1HG2 ILE 81 -14.281 -6.377 -0.823 652 2HG2 ILE 81 2HG2 ILE 81 -14.906 -5.850 -2.434 653 3HG2 ILE 81 3HG2 ILE 81 -14.441 -4.633 -1.216 654 1HD1 ILE 81 1HD1 ILE 81 -12.882 -5.211 0.729 655 2HD1 ILE 81 2HD1 ILE 81 -11.110 -5.055 0.933 656 3HD1 ILE 81 3HD1 ILE 81 -11.811 -6.587 0.293 657 H ALA 82 H ALA 82 -13.300 -6.697 -4.950 658 HA ALA 82 HA ALA 82 -15.562 -8.181 -4.793 659 1HB ALA 82 1HB ALA 82 -15.335 -8.447 -7.279 660 2HB ALA 82 2HB ALA 82 -13.605 -7.959 -7.155 661 3HB ALA 82 3HB ALA 82 -14.907 -6.787 -6.750 662 H LYS 83 H LYS 83 -12.256 -9.439 -5.368 663 HA LYS 83 HA LYS 83 -13.248 -12.153 -5.601 664 1HB LYS 83 1HB LYS 83 -10.409 -10.975 -5.567 665 2HB LYS 83 2HB LYS 83 -10.845 -12.660 -6.031 666 1HG LYS 83 1HG LYS 83 -11.975 -11.764 -8.052 667 2HG LYS 83 2HG LYS 83 -11.565 -10.090 -7.542 668 1HD LYS 83 1HD LYS 83 -9.099 -10.767 -7.445 669 2HD LYS 83 2HD LYS 83 -9.569 -12.389 -8.030 670 1HE LYS 83 1HE LYS 83 -8.756 -11.183 -9.951 671 2HE LYS 83 2HE LYS 83 -10.571 -11.293 -10.094 672 1HZ LYS 83 1HZ LYS 83 -8.880 -8.979 -9.304 673 2HZ LYS 83 2HZ LYS 83 -10.515 -8.980 -8.966 674 3HZ LYS 83 3HZ LYS 83 -9.964 -9.052 -10.578 675 H TYR 84 H TYR 84 -11.507 -9.940 -3.366 676 HA TYR 84 HA TYR 84 -10.580 -12.242 -1.930 677 1HB TYR 84 1HB TYR 84 -9.782 -9.295 -1.850 678 2HB TYR 84 2HB TYR 84 -8.966 -10.618 -0.948 679 HD1 TYR 84 HD1 TYR 84 -9.401 -12.499 -3.657 680 HD2 TYR 84 HD2 TYR 84 -7.564 -8.826 -2.606 681 HE1 TYR 84 HE1 TYR 84 -7.812 -12.797 -5.458 682 HE2 TYR 84 HE2 TYR 84 -5.936 -9.112 -4.389 683 HH TYR 84 HH TYR 84 -5.416 -10.409 -6.329 684 H SER 85 H SER 85 -12.938 -9.770 -1.259 685 HA SER 85 HA SER 85 -12.832 -9.474 1.381 686 1HB SER 85 1HB SER 85 -14.523 -8.465 -0.136 687 2HB SER 85 2HB SER 85 -15.392 -10.030 -0.202 688 HG SER 85 HG SER 85 -16.270 -8.647 1.335 689 H SER 86 H SER 86 -14.515 -12.263 -0.145 690 HA SER 86 HA SER 86 -13.474 -13.879 1.926 691 1HB SER 86 1HB SER 86 -15.751 -12.929 2.815 692 2HB SER 86 2HB SER 86 -16.533 -13.874 1.518 693 HG SER 86 HG SER 86 -16.360 -14.890 3.630 Start of MODEL 18 1 1H VAL 1 1H VAL 1 -10.960 9.644 -3.555 2 2H VAL 1 2H VAL 1 -10.099 10.977 -2.938 3 3H VAL 1 3H VAL 1 -11.612 11.196 -3.576 4 HA VAL 1 HA VAL 1 -11.781 11.249 -1.228 5 HB VAL 1 HB VAL 1 -12.866 8.588 -2.223 6 1HG1 VAL 1 1HG1 VAL 1 -13.929 10.643 -0.162 7 2HG1 VAL 1 2HG1 VAL 1 -13.204 9.045 0.260 8 3HG1 VAL 1 3HG1 VAL 1 -14.737 9.125 -0.674 9 1HG2 VAL 1 1HG2 VAL 1 -13.955 11.452 -2.630 10 2HG2 VAL 1 2HG2 VAL 1 -14.874 9.937 -2.908 11 3HG2 VAL 1 3HG2 VAL 1 -13.452 10.291 -3.924 12 H SER 2 H SER 2 -9.907 11.108 0.097 13 HA SER 2 HA SER 2 -8.534 8.729 0.495 14 1HB SER 2 1HB SER 2 -8.656 11.267 2.207 15 2HB SER 2 2HB SER 2 -7.487 9.922 2.427 16 HG SER 2 HG SER 2 -7.732 11.723 0.285 17 H GLN 3 H GLN 3 -11.532 9.896 2.006 18 HA GLN 3 HA GLN 3 -11.109 8.365 4.306 19 1HB GLN 3 1HB GLN 3 -12.619 10.303 4.071 20 2HB GLN 3 2HB GLN 3 -13.788 9.292 3.180 21 1HG GLN 3 1HG GLN 3 -14.215 7.916 5.182 22 2HG GLN 3 2HG GLN 3 -12.710 8.517 5.965 23 1HE2 GLN 3 1HE2 GLN 3 -16.076 9.519 5.068 24 2HE2 GLN 3 2HE2 GLN 3 -16.093 10.832 6.204 25 H LEU 4 H LEU 4 -12.451 7.622 1.164 26 HA LEU 4 HA LEU 4 -13.498 5.082 1.693 27 1HB LEU 4 1HB LEU 4 -13.882 6.392 -0.483 28 2HB LEU 4 2HB LEU 4 -12.143 6.162 -0.887 29 HG LEU 4 HG LEU 4 -12.369 3.750 -0.861 30 1HD1 LEU 4 1HD1 LEU 4 -14.317 3.354 0.639 31 2HD1 LEU 4 2HD1 LEU 4 -14.754 2.764 -1.004 32 3HD1 LEU 4 3HD1 LEU 4 -15.379 4.350 -0.429 33 1HD2 LEU 4 1HD2 LEU 4 -14.381 5.238 -2.690 34 2HD2 LEU 4 2HD2 LEU 4 -13.656 3.620 -3.027 35 3HD2 LEU 4 3HD2 LEU 4 -12.606 5.098 -2.966 36 H PHE 5 H PHE 5 -10.392 6.274 0.539 37 HA PHE 5 HA PHE 5 -9.051 4.012 0.002 38 1HB PHE 5 1HB PHE 5 -8.255 6.278 -0.507 39 2HB PHE 5 2HB PHE 5 -8.191 6.694 1.234 40 HD1 PHE 5 HD1 PHE 5 -6.578 5.514 2.732 41 HD2 PHE 5 HD2 PHE 5 -6.300 5.551 -1.506 42 HE1 PHE 5 HE1 PHE 5 -4.233 4.853 2.903 43 HE2 PHE 5 HE2 PHE 5 -3.937 4.941 -1.359 44 HZ PHE 5 HZ PHE 5 -2.906 4.602 0.888 45 H GLU 6 H GLU 6 -9.471 5.510 3.151 46 HA GLU 6 HA GLU 6 -7.740 3.574 4.427 47 1HB GLU 6 1HB GLU 6 -9.345 5.920 5.467 48 2HB GLU 6 2HB GLU 6 -8.658 4.702 6.591 49 1HG GLU 6 1HG GLU 6 -6.388 5.027 5.605 50 2HG GLU 6 2HG GLU 6 -7.013 6.342 4.565 51 H GLU 7 H GLU 7 -11.234 4.041 4.139 52 HA GLU 7 HA GLU 7 -12.103 2.053 5.846 53 1HB GLU 7 1HB GLU 7 -13.636 3.646 4.935 54 2HB GLU 7 2HB GLU 7 -13.098 3.323 3.271 55 1HG GLU 7 1HG GLU 7 -14.132 1.054 3.331 56 2HG GLU 7 2HG GLU 7 -14.797 1.396 4.980 57 H LYS 8 H LYS 8 -11.297 1.766 2.334 58 HA LYS 8 HA LYS 8 -11.659 -1.079 2.565 59 1HB LYS 8 1HB LYS 8 -10.810 0.616 0.181 60 2HB LYS 8 2HB LYS 8 -11.201 -1.135 0.164 61 1HG LYS 8 1HG LYS 8 -13.151 1.164 0.683 62 2HG LYS 8 2HG LYS 8 -13.046 0.054 -0.724 63 1HD LYS 8 1HD LYS 8 -13.418 -1.862 1.046 64 2HD LYS 8 2HD LYS 8 -13.954 -0.556 2.131 65 1HE LYS 8 1HE LYS 8 -15.214 -1.512 -0.522 66 2HE LYS 8 2HE LYS 8 -15.928 -1.558 1.132 67 1HZ LYS 8 1HZ LYS 8 -15.803 0.984 1.002 68 2HZ LYS 8 2HZ LYS 8 -16.928 0.181 0.062 69 3HZ LYS 8 3HZ LYS 8 -15.508 0.742 -0.668 70 H ALA 9 H ALA 9 -8.710 1.045 2.632 71 HA ALA 9 HA ALA 9 -7.010 -0.883 1.759 72 1HB ALA 9 1HB ALA 9 -6.341 1.495 2.094 73 2HB ALA 9 2HB ALA 9 -5.336 0.421 3.119 74 3HB ALA 9 3HB ALA 9 -6.690 1.379 3.858 75 H LYS 10 H LYS 10 -8.064 -0.066 5.017 76 HA LYS 10 HA LYS 10 -6.689 -2.062 6.428 77 1HB LYS 10 1HB LYS 10 -8.983 -0.150 6.713 78 2HB LYS 10 2HB LYS 10 -8.743 -1.388 8.025 79 1HG LYS 10 1HG LYS 10 -6.355 -0.624 8.257 80 2HG LYS 10 2HG LYS 10 -6.641 0.659 7.045 81 1HD LYS 10 1HD LYS 10 -8.063 0.386 9.771 82 2HD LYS 10 2HD LYS 10 -6.694 1.481 9.387 83 1HE LYS 10 1HE LYS 10 -8.136 2.617 7.625 84 2HE LYS 10 2HE LYS 10 -9.538 1.611 8.174 85 1HZ LYS 10 1HZ LYS 10 -9.645 3.639 9.252 86 2HZ LYS 10 2HZ LYS 10 -8.013 3.652 9.691 87 3HZ LYS 10 3HZ LYS 10 -9.108 2.550 10.431 88 H ALA 11 H ALA 11 -9.548 -2.308 4.444 89 HA ALA 11 HA ALA 11 -10.371 -4.812 5.615 90 1HB ALA 11 1HB ALA 11 -11.110 -3.578 2.892 91 2HB ALA 11 2HB ALA 11 -12.051 -3.390 4.420 92 3HB ALA 11 3HB ALA 11 -11.867 -5.010 3.662 93 H VAL 12 H VAL 12 -8.734 -3.838 2.505 94 HA VAL 12 HA VAL 12 -8.504 -6.445 1.705 95 HB VAL 12 HB VAL 12 -7.099 -5.636 -0.113 96 1HG1 VAL 12 1HG1 VAL 12 -9.594 -5.567 -0.141 97 2HG1 VAL 12 2HG1 VAL 12 -8.827 -4.262 -1.122 98 3HG1 VAL 12 3HG1 VAL 12 -9.553 -3.874 0.480 99 1HG2 VAL 12 1HG2 VAL 12 -6.659 -3.179 -0.317 100 2HG2 VAL 12 2HG2 VAL 12 -5.760 -3.856 1.083 101 3HG2 VAL 12 3HG2 VAL 12 -7.271 -2.909 1.337 102 H ASN 13 H ASN 13 -6.398 -4.562 3.747 103 HA ASN 13 HA ASN 13 -4.204 -6.348 3.358 104 1HB ASN 13 1HB ASN 13 -4.867 -4.178 5.426 105 2HB ASN 13 2HB ASN 13 -3.460 -5.270 5.672 106 1HD2 ASN 13 1HD2 ASN 13 -4.714 -2.650 3.592 107 2HD2 ASN 13 2HD2 ASN 13 -3.141 -2.298 2.912 108 H GLU 14 H GLU 14 -7.128 -6.752 5.169 109 HA GLU 14 HA GLU 14 -5.907 -9.184 6.240 110 1HB GLU 14 1HB GLU 14 -5.980 -7.197 7.903 111 2HB GLU 14 2HB GLU 14 -7.745 -7.422 7.914 112 1HG GLU 14 1HG GLU 14 -6.639 -8.549 9.842 113 2HG GLU 14 2HG GLU 14 -7.431 -9.757 8.795 114 H LEU 15 H LEU 15 -7.664 -8.650 3.897 115 HA LEU 15 HA LEU 15 -10.132 -9.754 4.538 116 1HB LEU 15 1HB LEU 15 -8.482 -9.118 2.121 117 2HB LEU 15 2HB LEU 15 -9.736 -10.345 1.841 118 HG LEU 15 HG LEU 15 -10.210 -7.515 2.903 119 1HD1 LEU 15 1HD1 LEU 15 -11.258 -7.097 0.725 120 2HD1 LEU 15 2HD1 LEU 15 -11.069 -8.826 0.259 121 3HD1 LEU 15 3HD1 LEU 15 -9.606 -7.784 0.413 122 1HD2 LEU 15 1HD2 LEU 15 -12.297 -9.666 2.186 123 2HD2 LEU 15 2HD2 LEU 15 -12.635 -7.948 2.573 124 3HD2 LEU 15 3HD2 LEU 15 -11.982 -9.020 3.852 125 HA PRO 16 HA PRO 16 -9.108 -13.855 5.104 126 1HB PRO 16 1HB PRO 16 -11.266 -15.313 4.224 127 2HB PRO 16 2HB PRO 16 -11.462 -14.066 5.519 128 1HG PRO 16 1HG PRO 16 -12.036 -13.712 2.503 129 2HG PRO 16 2HG PRO 16 -13.098 -13.279 3.903 130 1HD PRO 16 1HD PRO 16 -11.306 -11.545 2.601 131 2HD PRO 16 2HD PRO 16 -11.781 -11.317 4.360 132 H THR 17 H THR 17 -9.711 -12.872 1.875 133 HA THR 17 HA THR 17 -8.175 -15.130 0.760 134 HB THR 17 HB THR 17 -10.212 -13.260 -0.486 135 HG1 THR 17 HG1 THR 17 -11.211 -15.270 -0.922 136 1HG2 THR 17 1HG2 THR 17 -8.639 -15.596 -1.823 137 2HG2 THR 17 2HG2 THR 17 -8.272 -13.852 -2.090 138 3HG2 THR 17 3HG2 THR 17 -9.854 -14.504 -2.605 139 H LYS 18 H LYS 18 -6.529 -14.068 1.861 140 HA LYS 18 HA LYS 18 -5.911 -11.518 1.903 141 1HB LYS 18 1HB LYS 18 -4.144 -13.992 2.024 142 2HB LYS 18 2HB LYS 18 -3.474 -12.377 2.383 143 1HG LYS 18 1HG LYS 18 -5.108 -12.018 4.175 144 2HG LYS 18 2HG LYS 18 -5.832 -13.621 3.904 145 1HD LYS 18 1HD LYS 18 -3.815 -14.783 4.531 146 2HD LYS 18 2HD LYS 18 -2.822 -13.305 4.480 147 1HE LYS 18 1HE LYS 18 -5.135 -13.681 6.492 148 2HE LYS 18 2HE LYS 18 -3.434 -14.194 6.834 149 1HZ LYS 18 1HZ LYS 18 -4.432 -11.723 7.303 150 2HZ LYS 18 2HZ LYS 18 -3.645 -11.492 5.825 151 3HZ LYS 18 3HZ LYS 18 -2.814 -12.066 7.158 152 HA PRO 19 HA PRO 19 -4.371 -9.873 -1.648 153 1HB PRO 19 1HB PRO 19 -1.821 -9.204 -0.090 154 2HB PRO 19 2HB PRO 19 -2.677 -8.169 -1.312 155 1HG PRO 19 1HG PRO 19 -3.186 -7.793 1.348 156 2HG PRO 19 2HG PRO 19 -4.593 -7.912 0.203 157 1HD PRO 19 1HD PRO 19 -3.463 -10.081 2.044 158 2HD PRO 19 2HD PRO 19 -5.193 -9.651 1.643 159 H SER 20 H SER 20 -3.382 -10.545 -3.576 160 HA SER 20 HA SER 20 -1.748 -12.866 -3.476 161 1HB SER 20 1HB SER 20 -2.360 -11.198 -5.968 162 2HB SER 20 2HB SER 20 -1.872 -12.922 -5.891 163 HG SER 20 HG SER 20 -3.889 -13.352 -5.724 164 H THR 21 H THR 21 0.410 -13.092 -4.077 165 HA THR 21 HA THR 21 2.100 -11.397 -3.085 166 HB THR 21 HB THR 21 2.748 -13.311 -5.334 167 HG1 THR 21 HG1 THR 21 2.999 -14.727 -3.605 168 1HG2 THR 21 1HG2 THR 21 4.906 -13.561 -4.056 169 2HG2 THR 21 2HG2 THR 21 4.401 -12.252 -2.926 170 3HG2 THR 21 3HG2 THR 21 4.730 -11.881 -4.662 171 H ASP 22 H ASP 22 1.561 -11.383 -6.654 172 HA ASP 22 HA ASP 22 3.408 -9.193 -6.914 173 1HB ASP 22 1HB ASP 22 1.486 -10.563 -8.889 174 2HB ASP 22 2HB ASP 22 2.756 -9.365 -9.349 175 H GLU 23 H GLU 23 -0.022 -9.466 -6.480 176 HA GLU 23 HA GLU 23 -0.626 -6.876 -7.561 177 1HB GLU 23 1HB GLU 23 -2.233 -8.763 -5.774 178 2HB GLU 23 2HB GLU 23 -2.891 -7.316 -6.592 179 1HG GLU 23 1HG GLU 23 -1.726 -9.755 -8.089 180 2HG GLU 23 2HG GLU 23 -3.448 -9.573 -7.620 181 H LEU 24 H LEU 24 -0.027 -8.352 -4.379 182 HA LEU 24 HA LEU 24 -0.575 -6.431 -2.628 183 1HB LEU 24 1HB LEU 24 0.091 -8.824 -2.455 184 2HB LEU 24 2HB LEU 24 1.786 -8.394 -2.804 185 HG LEU 24 HG LEU 24 0.194 -7.391 -0.356 186 1HD1 LEU 24 1HD1 LEU 24 1.169 -9.348 0.842 187 2HD1 LEU 24 2HD1 LEU 24 2.011 -9.865 -0.679 188 3HD1 LEU 24 3HD1 LEU 24 0.219 -9.903 -0.600 189 1HD2 LEU 24 1HD2 LEU 24 2.303 -6.095 -0.701 190 2HD2 LEU 24 2HD2 LEU 24 3.217 -7.635 -0.963 191 3HD2 LEU 24 3HD2 LEU 24 2.531 -7.246 0.666 192 H LEU 25 H LEU 25 2.245 -6.625 -4.774 193 HA LEU 25 HA LEU 25 3.795 -4.630 -3.580 194 1HB LEU 25 1HB LEU 25 3.553 -5.599 -6.491 195 2HB LEU 25 2HB LEU 25 4.936 -4.648 -5.835 196 HG LEU 25 HG LEU 25 4.071 -7.493 -5.019 197 1HD1 LEU 25 1HD1 LEU 25 6.535 -6.478 -6.562 198 2HD1 LEU 25 2HD1 LEU 25 5.094 -7.301 -7.270 199 3HD1 LEU 25 3HD1 LEU 25 6.171 -8.195 -6.121 200 1HD2 LEU 25 1HD2 LEU 25 6.225 -7.511 -3.685 201 2HD2 LEU 25 2HD2 LEU 25 4.991 -6.371 -3.036 202 3HD2 LEU 25 3HD2 LEU 25 6.388 -5.738 -3.995 203 H GLU 26 H GLU 26 1.525 -4.465 -6.302 204 HA GLU 26 HA GLU 26 1.738 -1.682 -6.675 205 1HB GLU 26 1HB GLU 26 -0.719 -3.429 -7.219 206 2HB GLU 26 2HB GLU 26 -0.318 -1.844 -7.950 207 1HG GLU 26 1HG GLU 26 1.748 -2.957 -9.015 208 2HG GLU 26 2HG GLU 26 1.144 -4.535 -8.379 209 H LEU 27 H LEU 27 -0.485 -3.654 -4.791 210 HA LEU 27 HA LEU 27 -2.138 -1.669 -3.828 211 1HB LEU 27 1HB LEU 27 -2.595 -4.062 -4.010 212 2HB LEU 27 2HB LEU 27 -1.365 -4.441 -2.787 213 HG LEU 27 HG LEU 27 -3.911 -4.505 -2.212 214 1HD1 LEU 27 1HD1 LEU 27 -2.014 -4.816 -0.590 215 2HD1 LEU 27 2HD1 LEU 27 -3.434 -3.993 0.158 216 3HD1 LEU 27 3HD1 LEU 27 -1.969 -3.043 -0.304 217 1HD2 LEU 27 1HD2 LEU 27 -4.954 -2.501 -1.344 218 2HD2 LEU 27 2HD2 LEU 27 -4.537 -2.290 -3.080 219 3HD2 LEU 27 3HD2 LEU 27 -3.511 -1.510 -1.807 220 H TYR 28 H TYR 28 0.785 -3.072 -2.322 221 HA TYR 28 HA TYR 28 1.002 -1.585 -0.077 222 1HB TYR 28 1HB TYR 28 2.525 -3.422 -0.631 223 2HB TYR 28 2HB TYR 28 3.140 -2.535 -2.055 224 HD1 TYR 28 HD1 TYR 28 3.466 -3.021 1.520 225 HD2 TYR 28 HD2 TYR 28 4.543 -0.536 -1.761 226 HE1 TYR 28 HE1 TYR 28 5.322 -2.119 2.802 227 HE2 TYR 28 HE2 TYR 28 6.253 0.521 -0.424 228 HH TYR 28 HH TYR 28 6.847 -0.520 2.939 229 H ALA 29 H ALA 29 2.296 -0.633 -3.318 230 HA ALA 29 HA ALA 29 3.458 1.688 -2.549 231 1HB ALA 29 1HB ALA 29 3.717 0.572 -4.768 232 2HB ALA 29 2HB ALA 29 3.302 2.312 -4.968 233 3HB ALA 29 3HB ALA 29 2.041 1.043 -5.206 234 H LEU 30 H LEU 30 0.075 1.350 -3.622 235 HA LEU 30 HA LEU 30 -0.382 4.152 -3.304 236 1HB LEU 30 1HB LEU 30 -2.160 1.741 -3.848 237 2HB LEU 30 2HB LEU 30 -2.816 3.402 -3.614 238 HG LEU 30 HG LEU 30 -2.690 2.861 -5.902 239 1HD1 LEU 30 1HD1 LEU 30 -2.673 5.093 -5.342 240 2HD1 LEU 30 2HD1 LEU 30 -1.526 4.925 -6.732 241 3HD1 LEU 30 3HD1 LEU 30 -0.874 5.164 -5.060 242 1HD2 LEU 30 1HD2 LEU 30 -0.700 1.362 -6.094 243 2HD2 LEU 30 2HD2 LEU 30 0.398 2.769 -5.789 244 3HD2 LEU 30 3HD2 LEU 30 -0.635 2.725 -7.261 245 H TYR 31 H TYR 31 -1.095 1.305 -1.372 246 HA TYR 31 HA TYR 31 -2.673 2.446 0.588 247 1HB TYR 31 1HB TYR 31 -2.535 0.057 0.353 248 2HB TYR 31 2HB TYR 31 -0.768 0.081 0.664 249 HD1 TYR 31 HD1 TYR 31 -0.316 -0.809 2.645 250 HD2 TYR 31 HD2 TYR 31 -3.657 1.824 2.444 251 HE1 TYR 31 HE1 TYR 31 -0.591 -0.949 5.068 252 HE2 TYR 31 HE2 TYR 31 -4.020 1.602 4.780 253 HH TYR 31 HH TYR 31 -2.936 1.068 6.750 254 H LYS 32 H LYS 32 0.881 1.773 0.671 255 HA LYS 32 HA LYS 32 1.364 3.227 2.992 256 1HB LYS 32 1HB LYS 32 3.278 2.541 0.715 257 2HB LYS 32 2HB LYS 32 3.769 3.141 2.312 258 1HG LYS 32 1HG LYS 32 2.468 0.452 1.631 259 2HG LYS 32 2HG LYS 32 4.113 0.801 2.219 260 1HD LYS 32 1HD LYS 32 1.502 1.016 3.826 261 2HD LYS 32 2HD LYS 32 2.800 -0.215 3.949 262 1HE LYS 32 1HE LYS 32 4.418 1.662 4.610 263 2HE LYS 32 2HE LYS 32 2.972 2.758 4.727 264 1HZ LYS 32 1HZ LYS 32 3.280 0.178 6.215 265 2HZ LYS 32 2HZ LYS 32 2.032 1.250 6.377 266 3HZ LYS 32 3HZ LYS 32 3.580 1.692 6.881 267 H GLN 33 H GLN 33 1.321 4.299 -0.400 268 HA GLN 33 HA GLN 33 2.284 6.825 -0.126 269 1HB GLN 33 1HB GLN 33 0.413 5.417 -1.939 270 2HB GLN 33 2HB GLN 33 -0.001 7.124 -1.813 271 1HG GLN 33 1HG GLN 33 2.176 7.857 -2.559 272 2HG GLN 33 2HG GLN 33 2.818 6.174 -2.519 273 1HE2 GLN 33 1HE2 GLN 33 2.143 4.696 -4.107 274 2HE2 GLN 33 2HE2 GLN 33 1.318 5.213 -5.572 275 H ALA 34 H ALA 34 -1.301 6.219 0.195 276 HA ALA 34 HA ALA 34 -1.283 8.851 1.452 277 1HB ALA 34 1HB ALA 34 -3.656 8.903 1.463 278 2HB ALA 34 2HB ALA 34 -3.758 7.232 0.826 279 3HB ALA 34 3HB ALA 34 -3.015 8.545 -0.169 280 H THR 35 H THR 35 -1.047 5.590 2.720 281 HA THR 35 HA THR 35 -2.088 6.147 5.181 282 HB THR 35 HB THR 35 0.220 4.374 4.428 283 HG1 THR 35 HG1 THR 35 -1.694 3.641 3.716 284 1HG2 THR 35 1HG2 THR 35 -1.338 4.797 7.065 285 2HG2 THR 35 2HG2 THR 35 0.458 4.968 6.841 286 3HG2 THR 35 3HG2 THR 35 -0.320 3.344 6.699 287 H VAL 36 H VAL 36 1.514 6.401 4.319 288 HA VAL 36 HA VAL 36 1.722 8.116 6.626 289 HB VAL 36 HB VAL 36 4.028 7.894 6.564 290 1HG1 VAL 36 1HG1 VAL 36 2.493 6.149 7.659 291 2HG1 VAL 36 2HG1 VAL 36 4.101 5.519 7.148 292 3HG1 VAL 36 3HG1 VAL 36 2.654 5.149 6.159 293 1HG2 VAL 36 1HG2 VAL 36 4.425 7.707 4.057 294 2HG2 VAL 36 2HG2 VAL 36 3.584 6.109 4.072 295 3HG2 VAL 36 3HG2 VAL 36 5.126 6.315 4.951 296 H GLY 37 H GLY 37 1.850 8.438 3.089 297 1HA GLY 37 1HA GLY 37 1.151 10.380 2.252 298 2HA GLY 37 2HA GLY 37 1.945 11.323 3.552 299 H ASP 38 H ASP 38 4.530 9.855 3.185 300 HA ASP 38 HA ASP 38 5.318 11.016 0.587 301 1HB ASP 38 1HB ASP 38 7.039 10.664 3.119 302 2HB ASP 38 2HB ASP 38 7.479 11.575 1.632 303 H ASN 39 H ASN 39 7.290 9.761 -0.379 304 HA ASN 39 HA ASN 39 7.420 7.066 0.439 305 1HB ASN 39 1HB ASN 39 9.442 6.829 -0.816 306 2HB ASN 39 2HB ASN 39 8.205 7.697 -1.760 307 1HD2 ASN 39 1HD2 ASN 39 11.247 7.613 -1.881 308 2HD2 ASN 39 2HD2 ASN 39 11.743 9.285 -1.783 309 H ASP 40 H ASP 40 7.490 6.940 2.687 310 HA ASP 40 HA ASP 40 9.222 8.669 4.030 311 1HB ASP 40 1HB ASP 40 6.887 7.913 4.724 312 2HB ASP 40 2HB ASP 40 7.612 6.360 5.237 313 H LYS 41 H LYS 41 9.366 5.020 4.032 314 HA LYS 41 HA LYS 41 11.757 5.250 5.599 315 1HB LYS 41 1HB LYS 41 10.275 2.861 4.414 316 2HB LYS 41 2HB LYS 41 11.697 2.744 5.490 317 1HG LYS 41 1HG LYS 41 10.406 2.708 7.255 318 2HG LYS 41 2HG LYS 41 9.988 4.425 6.943 319 1HD LYS 41 1HD LYS 41 7.969 3.060 7.298 320 2HD LYS 41 2HD LYS 41 8.001 3.768 5.665 321 1HE LYS 41 1HE LYS 41 7.140 1.467 5.597 322 2HE LYS 41 2HE LYS 41 8.692 1.573 4.686 323 1HZ LYS 41 1HZ LYS 41 8.533 -0.399 6.167 324 2HZ LYS 41 2HZ LYS 41 8.421 0.588 7.504 325 3HZ LYS 41 3HZ LYS 41 9.828 0.575 6.562 326 H GLU 42 H GLU 42 13.113 6.327 4.022 327 HA GLU 42 HA GLU 42 13.901 5.061 1.647 328 1HB GLU 42 1HB GLU 42 13.909 7.500 2.321 329 2HB GLU 42 2HB GLU 42 15.377 7.164 3.276 330 1HG GLU 42 1HG GLU 42 16.413 6.286 0.991 331 2HG GLU 42 2HG GLU 42 14.982 7.035 0.207 332 H LYS 43 H LYS 43 14.007 3.148 3.503 333 HA LYS 43 HA LYS 43 16.569 2.045 3.032 334 1HB LYS 43 1HB LYS 43 17.051 3.355 5.115 335 2HB LYS 43 2HB LYS 43 15.764 2.451 5.953 336 1HG LYS 43 1HG LYS 43 17.064 0.291 5.362 337 2HG LYS 43 2HG LYS 43 18.398 1.324 4.778 338 1HD LYS 43 1HD LYS 43 17.154 1.441 7.602 339 2HD LYS 43 2HD LYS 43 18.561 0.424 7.156 340 1HE LYS 43 1HE LYS 43 19.936 2.408 6.624 341 2HE LYS 43 2HE LYS 43 18.534 3.513 6.927 342 1HZ LYS 43 1HZ LYS 43 18.491 2.859 9.186 343 2HZ LYS 43 2HZ LYS 43 20.077 3.281 8.811 344 3HZ LYS 43 3HZ LYS 43 19.650 1.650 8.975 345 HA PRO 44 HA PRO 44 13.697 -1.355 3.481 346 1HB PRO 44 1HB PRO 44 14.155 -2.448 0.978 347 2HB PRO 44 2HB PRO 44 12.850 -1.245 1.298 348 1HG PRO 44 1HG PRO 44 15.660 -0.675 0.196 349 2HG PRO 44 2HG PRO 44 14.060 -0.122 -0.474 350 1HD PRO 44 1HD PRO 44 15.619 1.453 1.184 351 2HD PRO 44 2HD PRO 44 13.804 1.491 1.290 352 H GLY 45 H GLY 45 14.844 -3.705 3.372 353 1HA GLY 45 1HA GLY 45 17.431 -3.197 4.448 354 2HA GLY 45 2HA GLY 45 16.564 -4.740 4.326 355 H ILE 46 H ILE 46 18.628 -5.717 3.820 356 HA ILE 46 HA ILE 46 20.014 -4.551 1.531 357 HB ILE 46 HB ILE 46 22.016 -5.533 2.315 358 1HG1 ILE 46 1HG1 ILE 46 20.368 -6.497 4.738 359 2HG1 ILE 46 2HG1 ILE 46 21.200 -7.531 3.526 360 1HG2 ILE 46 1HG2 ILE 46 22.292 -3.922 4.114 361 2HG2 ILE 46 2HG2 ILE 46 20.543 -3.961 4.516 362 3HG2 ILE 46 3HG2 ILE 46 21.104 -3.229 2.962 363 1HD1 ILE 46 1HD1 ILE 46 22.569 -7.427 5.535 364 2HD1 ILE 46 2HD1 ILE 46 22.581 -5.635 5.518 365 3HD1 ILE 46 3HD1 ILE 46 23.415 -6.551 4.207 366 H PHE 47 H PHE 47 19.303 -7.829 2.791 367 HA PHE 47 HA PHE 47 19.459 -8.917 0.114 368 1HB PHE 47 1HB PHE 47 18.901 -11.094 1.504 369 2HB PHE 47 2HB PHE 47 20.522 -10.351 1.594 370 HD1 PHE 47 HD1 PHE 47 17.196 -9.959 3.361 371 HD2 PHE 47 HD2 PHE 47 21.438 -10.156 3.617 372 HE1 PHE 47 HE1 PHE 47 17.070 -9.489 5.740 373 HE2 PHE 47 HE2 PHE 47 21.311 -9.704 6.015 374 HZ PHE 47 HZ PHE 47 19.134 -9.319 7.075 375 H ASN 48 H ASN 48 17.332 -7.090 1.583 376 HA ASN 48 HA ASN 48 15.001 -8.610 1.693 377 1HB ASN 48 1HB ASN 48 15.557 -5.639 1.876 378 2HB ASN 48 2HB ASN 48 13.929 -6.379 2.089 379 1HD2 ASN 48 1HD2 ASN 48 13.396 -6.823 4.117 380 2HD2 ASN 48 2HD2 ASN 48 14.492 -7.260 5.421 381 H MET 49 H MET 49 15.113 -9.421 -0.655 382 HA MET 49 HA MET 49 14.816 -7.867 -2.846 383 1HB MET 49 1HB MET 49 13.506 -10.601 -2.408 384 2HB MET 49 2HB MET 49 13.967 -9.865 -3.974 385 1HG MET 49 1HG MET 49 15.805 -10.899 -1.754 386 2HG MET 49 2HG MET 49 15.556 -11.582 -3.369 387 1HE MET 49 1HE MET 49 19.277 -10.465 -3.110 388 2HE MET 49 2HE MET 49 18.127 -11.807 -3.421 389 3HE MET 49 3HE MET 49 18.179 -11.026 -1.804 390 H LYS 50 H LYS 50 12.139 -9.221 -0.902 391 HA LYS 50 HA LYS 50 10.080 -8.203 -2.443 392 1HB LYS 50 1HB LYS 50 10.197 -8.702 0.572 393 2HB LYS 50 2HB LYS 50 8.690 -8.478 -0.374 394 1HG LYS 50 1HG LYS 50 9.089 -10.544 -1.632 395 2HG LYS 50 2HG LYS 50 10.709 -10.726 -0.904 396 1HD LYS 50 1HD LYS 50 9.523 -10.764 1.410 397 2HD LYS 50 2HD LYS 50 7.993 -10.918 0.506 398 1HE LYS 50 1HE LYS 50 8.696 -13.146 1.208 399 2HE LYS 50 2HE LYS 50 8.936 -13.051 -0.585 400 1HZ LYS 50 1HZ LYS 50 11.090 -12.536 1.412 401 2HZ LYS 50 2HZ LYS 50 11.245 -12.749 -0.267 402 3HZ LYS 50 3HZ LYS 50 10.807 -14.038 0.735 403 H ASP 51 H ASP 51 11.717 -6.695 0.378 404 HA ASP 51 HA ASP 51 10.091 -4.417 0.360 405 1HB ASP 51 1HB ASP 51 12.916 -4.734 1.500 406 2HB ASP 51 2HB ASP 51 11.712 -3.453 1.921 407 H ARG 52 H ARG 52 13.226 -5.061 -1.253 408 HA ARG 52 HA ARG 52 13.610 -2.523 -2.242 409 1HB ARG 52 1HB ARG 52 14.220 -5.227 -3.513 410 2HB ARG 52 2HB ARG 52 14.754 -3.683 -4.218 411 1HG ARG 52 1HG ARG 52 15.635 -4.833 -1.521 412 2HG ARG 52 2HG ARG 52 16.558 -4.807 -3.041 413 1HD ARG 52 1HD ARG 52 15.775 -2.378 -1.324 414 2HD ARG 52 2HD ARG 52 17.413 -3.126 -1.517 415 HE ARG 52 HE ARG 52 16.488 -2.430 -4.140 416 1HH1 ARG 52 1HH1 ARG 52 17.719 -0.760 -1.205 417 2HH1 ARG 52 2HH1 ARG 52 17.355 0.808 -1.903 418 1HH2 ARG 52 1HH2 ARG 52 16.404 -0.304 -5.014 419 2HH2 ARG 52 2HH2 ARG 52 17.221 0.998 -4.155 420 H TYR 53 H TYR 53 11.516 -5.085 -3.621 421 HA TYR 53 HA TYR 53 10.819 -3.437 -5.835 422 1HB TYR 53 1HB TYR 53 9.654 -6.031 -4.680 423 2HB TYR 53 2HB TYR 53 8.931 -5.207 -6.111 424 HD1 TYR 53 HD1 TYR 53 11.189 -7.678 -5.221 425 HD2 TYR 53 HD2 TYR 53 10.689 -4.431 -7.911 426 HE1 TYR 53 HE1 TYR 53 12.883 -8.645 -6.696 427 HE2 TYR 53 HE2 TYR 53 12.356 -5.404 -9.408 428 HH TYR 53 HH TYR 53 14.089 -8.387 -8.593 429 H LYS 54 H LYS 54 9.133 -4.186 -2.737 430 HA LYS 54 HA LYS 54 6.864 -2.731 -3.211 431 1HB LYS 54 1HB LYS 54 8.501 -3.356 -0.707 432 2HB LYS 54 2HB LYS 54 6.915 -2.543 -0.610 433 1HG LYS 54 1HG LYS 54 5.740 -4.418 -1.558 434 2HG LYS 54 2HG LYS 54 7.275 -5.249 -1.986 435 1HD LYS 54 1HD LYS 54 7.901 -5.417 0.379 436 2HD LYS 54 2HD LYS 54 6.364 -4.623 0.881 437 1HE LYS 54 1HE LYS 54 5.084 -6.521 -0.280 438 2HE LYS 54 2HE LYS 54 6.664 -7.319 -0.617 439 1HZ LYS 54 1HZ LYS 54 5.870 -8.316 1.250 440 2HZ LYS 54 2HZ LYS 54 5.310 -6.921 1.997 441 3HZ LYS 54 3HZ LYS 54 6.969 -7.237 1.923 442 H TRP 55 H TRP 55 9.932 -1.559 -1.683 443 HA TRP 55 HA TRP 55 8.817 0.977 -1.312 444 1HB TRP 55 1HB TRP 55 10.745 -0.301 -0.062 445 2HB TRP 55 2HB TRP 55 11.810 0.473 -1.278 446 HD1 TRP 55 HD1 TRP 55 9.620 1.305 1.871 447 HE1 TRP 55 HE1 TRP 55 9.260 3.839 1.959 448 HE3 TRP 55 HE3 TRP 55 12.654 2.679 -1.948 449 HZ2 TRP 55 HZ2 TRP 55 10.821 6.068 1.178 450 HZ3 TRP 55 HZ3 TRP 55 13.401 5.008 -2.055 451 HH2 TRP 55 HH2 TRP 55 12.541 6.678 -0.497 452 H GLU 56 H GLU 56 10.543 -0.423 -4.048 453 HA GLU 56 HA GLU 56 11.188 2.071 -5.225 454 1HB GLU 56 1HB GLU 56 12.386 -0.011 -5.715 455 2HB GLU 56 2HB GLU 56 10.907 -0.743 -6.411 456 1HG GLU 56 1HG GLU 56 10.894 1.022 -8.214 457 2HG GLU 56 2HG GLU 56 12.333 1.800 -7.458 458 H ALA 57 H ALA 57 8.426 -0.191 -5.464 459 HA ALA 57 HA ALA 57 7.150 1.197 -7.536 460 1HB ALA 57 1HB ALA 57 5.166 -0.201 -6.818 461 2HB ALA 57 2HB ALA 57 6.057 -0.648 -5.314 462 3HB ALA 57 3HB ALA 57 6.667 -1.187 -6.916 463 H TRP 58 H TRP 58 7.485 1.779 -4.161 464 HA TRP 58 HA TRP 58 5.199 3.457 -3.925 465 1HB TRP 58 1HB TRP 58 5.985 1.953 -2.076 466 2HB TRP 58 2HB TRP 58 7.521 2.878 -1.970 467 HD1 TRP 58 HD1 TRP 58 4.386 4.970 -2.390 468 HE1 TRP 58 HE1 TRP 58 3.878 6.122 -0.089 469 HE3 TRP 58 HE3 TRP 58 7.461 2.249 0.544 470 HZ2 TRP 58 HZ2 TRP 58 4.847 5.993 2.461 471 HZ3 TRP 58 HZ3 TRP 58 7.326 2.542 2.978 472 HH2 TRP 58 HH2 TRP 58 6.152 4.420 3.949 473 H GLU 59 H GLU 59 8.761 3.824 -3.939 474 HA GLU 59 HA GLU 59 8.975 6.529 -3.837 475 1HB GLU 59 1HB GLU 59 10.796 4.775 -3.622 476 2HB GLU 59 2HB GLU 59 10.726 4.559 -5.388 477 1HG GLU 59 1HG GLU 59 11.312 7.084 -5.610 478 2HG GLU 59 2HG GLU 59 11.543 7.106 -3.828 479 H ASN 60 H ASN 60 7.986 4.571 -6.575 480 HA ASN 60 HA ASN 60 8.292 6.355 -8.622 481 1HB ASN 60 1HB ASN 60 7.359 3.942 -8.539 482 2HB ASN 60 2HB ASN 60 5.770 4.670 -8.145 483 1HD2 ASN 60 1HD2 ASN 60 6.450 3.042 -10.508 484 2HD2 ASN 60 2HD2 ASN 60 6.209 4.074 -11.883 485 H LEU 61 H LEU 61 5.914 6.439 -6.020 486 HA LEU 61 HA LEU 61 5.056 9.086 -7.000 487 1HB LEU 61 1HB LEU 61 3.347 6.834 -5.980 488 2HB LEU 61 2HB LEU 61 2.852 8.527 -5.680 489 HG LEU 61 HG LEU 61 3.018 9.021 -8.122 490 1HD1 LEU 61 1HD1 LEU 61 4.352 7.257 -9.064 491 2HD1 LEU 61 2HD1 LEU 61 2.681 6.954 -9.651 492 3HD1 LEU 61 3HD1 LEU 61 3.356 5.961 -8.285 493 1HD2 LEU 61 1HD2 LEU 61 0.903 8.626 -6.870 494 2HD2 LEU 61 2HD2 LEU 61 1.036 6.858 -7.172 495 3HD2 LEU 61 3HD2 LEU 61 0.767 7.993 -8.564 496 H LYS 62 H LYS 62 7.244 8.563 -5.395 497 HA LYS 62 HA LYS 62 7.144 9.041 -2.844 498 1HB LYS 62 1HB LYS 62 9.303 10.379 -3.242 499 2HB LYS 62 2HB LYS 62 9.181 8.856 -4.157 500 1HG LYS 62 1HG LYS 62 8.338 10.371 -6.164 501 2HG LYS 62 2HG LYS 62 8.938 11.729 -5.150 502 1HD LYS 62 1HD LYS 62 11.105 10.281 -4.897 503 2HD LYS 62 2HD LYS 62 10.466 9.315 -6.266 504 1HE LYS 62 1HE LYS 62 10.493 11.327 -7.747 505 2HE LYS 62 2HE LYS 62 10.974 12.379 -6.350 506 1HZ LYS 62 1HZ LYS 62 12.984 10.998 -6.133 507 2HZ LYS 62 2HZ LYS 62 12.889 11.823 -7.606 508 3HZ LYS 62 3HZ LYS 62 12.594 10.161 -7.536 509 H GLY 63 H GLY 63 6.346 11.722 -5.003 510 1HA GLY 63 1HA GLY 63 6.339 13.482 -2.636 511 2HA GLY 63 2HA GLY 63 6.675 13.935 -4.339 512 H LYS 64 H LYS 64 4.498 12.546 -5.536 513 HA LYS 64 HA LYS 64 2.265 14.189 -4.471 514 1HB LYS 64 1HB LYS 64 3.144 13.783 -7.336 515 2HB LYS 64 2HB LYS 64 1.416 14.084 -6.934 516 1HG LYS 64 1HG LYS 64 1.923 16.082 -5.686 517 2HG LYS 64 2HG LYS 64 3.673 15.922 -5.971 518 1HD LYS 64 1HD LYS 64 1.519 16.265 -8.157 519 2HD LYS 64 2HD LYS 64 2.494 17.606 -7.502 520 1HE LYS 64 1HE LYS 64 3.705 15.157 -8.966 521 2HE LYS 64 2HE LYS 64 3.260 16.711 -9.763 522 1HZ LYS 64 1HZ LYS 64 4.833 17.865 -8.414 523 2HZ LYS 64 2HZ LYS 64 5.605 16.532 -9.122 524 3HZ LYS 64 3HZ LYS 64 5.205 16.509 -7.500 525 H SER 65 H SER 65 2.214 12.534 -3.109 526 HA SER 65 HA SER 65 0.926 10.062 -3.970 527 1HB SER 65 1HB SER 65 2.648 10.004 -2.110 528 2HB SER 65 2HB SER 65 1.852 11.399 -1.321 529 HG SER 65 HG SER 65 1.354 9.424 -0.307 530 H GLN 66 H GLN 66 -0.026 12.785 -1.760 531 HA GLN 66 HA GLN 66 -2.169 11.106 -1.095 532 1HB GLN 66 1HB GLN 66 -0.982 13.695 -0.249 533 2HB GLN 66 2HB GLN 66 -2.712 13.508 0.162 534 1HG GLN 66 1HG GLN 66 -2.231 11.221 1.130 535 2HG GLN 66 2HG GLN 66 -0.468 11.523 0.889 536 1HE2 GLN 66 1HE2 GLN 66 -0.867 10.947 3.292 537 2HE2 GLN 66 2HE2 GLN 66 -1.024 12.305 4.385 538 H GLU 67 H GLU 67 -1.916 13.219 -3.609 539 HA GLU 67 HA GLU 67 -4.781 13.621 -3.900 540 1HB GLU 67 1HB GLU 67 -4.301 15.159 -5.660 541 2HB GLU 67 2HB GLU 67 -3.347 15.586 -4.208 542 1HG GLU 67 1HG GLU 67 -1.260 14.815 -5.188 543 2HG GLU 67 2HG GLU 67 -2.122 14.013 -6.558 544 H ASP 68 H ASP 68 -2.173 11.527 -5.139 545 HA ASP 68 HA ASP 68 -3.979 10.694 -7.299 546 1HB ASP 68 1HB ASP 68 -0.973 10.496 -6.665 547 2HB ASP 68 2HB ASP 68 -1.715 9.182 -7.625 548 H ALA 69 H ALA 69 -2.221 9.457 -4.511 549 HA ALA 69 HA ALA 69 -2.660 6.887 -4.601 550 1HB ALA 69 1HB ALA 69 -1.344 8.108 -2.923 551 2HB ALA 69 2HB ALA 69 -2.472 6.977 -2.078 552 3HB ALA 69 3HB ALA 69 -2.827 8.760 -2.175 553 H GLU 70 H GLU 70 -4.810 8.965 -2.765 554 HA GLU 70 HA GLU 70 -7.012 7.527 -2.283 555 1HB GLU 70 1HB GLU 70 -8.341 9.540 -2.525 556 2HB GLU 70 2HB GLU 70 -6.868 9.690 -1.539 557 1HG GLU 70 1HG GLU 70 -5.715 11.042 -3.069 558 2HG GLU 70 2HG GLU 70 -6.699 10.543 -4.474 559 H LYS 71 H LYS 71 -6.480 8.865 -5.599 560 HA LYS 71 HA LYS 71 -9.116 7.940 -6.378 561 1HB LYS 71 1HB LYS 71 -7.032 9.770 -7.617 562 2HB LYS 71 2HB LYS 71 -8.434 9.174 -8.556 563 1HG LYS 71 1HG LYS 71 -9.893 10.593 -7.584 564 2HG LYS 71 2HG LYS 71 -9.290 10.246 -5.940 565 1HD LYS 71 1HD LYS 71 -7.365 11.724 -6.264 566 2HD LYS 71 2HD LYS 71 -7.899 12.155 -7.920 567 1HE LYS 71 1HE LYS 71 -9.833 13.381 -7.090 568 2HE LYS 71 2HE LYS 71 -9.681 12.635 -5.447 569 1HZ LYS 71 1HZ LYS 71 -7.790 13.812 -4.995 570 2HZ LYS 71 2HZ LYS 71 -8.787 14.981 -5.711 571 3HZ LYS 71 3HZ LYS 71 -7.509 14.302 -6.583 572 H GLU 72 H GLU 72 -5.697 7.213 -6.896 573 HA GLU 72 HA GLU 72 -6.188 5.308 -8.938 574 1HB GLU 72 1HB GLU 72 -3.933 5.759 -6.938 575 2HB GLU 72 2HB GLU 72 -3.825 4.520 -8.223 576 1HG GLU 72 1HG GLU 72 -4.222 7.530 -8.778 577 2HG GLU 72 2HG GLU 72 -2.623 6.739 -8.644 578 H TYR 73 H TYR 73 -6.336 5.245 -5.437 579 HA TYR 73 HA TYR 73 -5.926 2.537 -5.155 580 1HB TYR 73 1HB TYR 73 -5.722 4.388 -3.363 581 2HB TYR 73 2HB TYR 73 -7.500 4.289 -3.148 582 HD1 TYR 73 HD1 TYR 73 -4.475 2.179 -3.501 583 HD2 TYR 73 HD2 TYR 73 -8.130 2.762 -1.431 584 HE1 TYR 73 HE1 TYR 73 -3.768 0.534 -1.846 585 HE2 TYR 73 HE2 TYR 73 -7.486 1.044 0.190 586 HH TYR 73 HH TYR 73 -4.410 -0.747 -0.172 587 H ILE 74 H ILE 74 -9.044 4.366 -4.812 588 HA ILE 74 HA ILE 74 -10.783 2.473 -4.525 589 HB ILE 74 HB ILE 74 -11.306 4.690 -4.602 590 1HG1 ILE 74 1HG1 ILE 74 -13.072 2.872 -5.120 591 2HG1 ILE 74 2HG1 ILE 74 -13.459 4.596 -5.341 592 1HG2 ILE 74 1HG2 ILE 74 -9.888 5.569 -6.338 593 2HG2 ILE 74 2HG2 ILE 74 -11.582 6.031 -6.668 594 3HG2 ILE 74 3HG2 ILE 74 -10.826 4.737 -7.641 595 1HD1 ILE 74 1HD1 ILE 74 -12.869 2.629 -7.637 596 2HD1 ILE 74 2HD1 ILE 74 -13.196 4.401 -7.818 597 3HD1 ILE 74 3HD1 ILE 74 -14.446 3.309 -7.142 598 H ALA 75 H ALA 75 -9.418 3.129 -7.763 599 HA ALA 75 HA ALA 75 -11.105 1.208 -8.971 600 1HB ALA 75 1HB ALA 75 -9.742 1.770 -11.036 601 2HB ALA 75 2HB ALA 75 -8.509 2.566 -9.992 602 3HB ALA 75 3HB ALA 75 -10.145 3.282 -10.151 603 H LEU 76 H LEU 76 -7.751 0.972 -7.772 604 HA LEU 76 HA LEU 76 -7.564 -1.633 -8.952 605 1HB LEU 76 1HB LEU 76 -5.488 -1.954 -7.864 606 2HB LEU 76 2HB LEU 76 -5.568 -0.419 -8.797 607 HG LEU 76 HG LEU 76 -6.077 0.568 -6.311 608 1HD1 LEU 76 1HD1 LEU 76 -5.834 -1.739 -5.200 609 2HD1 LEU 76 2HD1 LEU 76 -4.597 -0.546 -4.649 610 3HD1 LEU 76 3HD1 LEU 76 -4.156 -1.821 -5.845 611 1HD2 LEU 76 1HD2 LEU 76 -3.328 -0.119 -7.540 612 2HD2 LEU 76 2HD2 LEU 76 -3.603 1.055 -6.204 613 3HD2 LEU 76 3HD2 LEU 76 -4.310 1.367 -7.841 614 H VAL 77 H VAL 77 -8.226 -0.420 -5.688 615 HA VAL 77 HA VAL 77 -8.373 -2.907 -4.412 616 HB VAL 77 HB VAL 77 -9.266 -0.160 -3.729 617 1HG1 VAL 77 1HG1 VAL 77 -9.914 -1.149 -1.481 618 2HG1 VAL 77 2HG1 VAL 77 -9.935 -2.785 -2.240 619 3HG1 VAL 77 3HG1 VAL 77 -11.114 -1.522 -2.773 620 1HG2 VAL 77 1HG2 VAL 77 -7.446 -2.407 -2.601 621 2HG2 VAL 77 2HG2 VAL 77 -7.679 -0.815 -1.813 622 3HG2 VAL 77 3HG2 VAL 77 -6.865 -0.893 -3.426 623 H ASP 78 H ASP 78 -10.833 -1.091 -6.380 624 HA ASP 78 HA ASP 78 -12.927 -2.679 -5.598 625 1HB ASP 78 1HB ASP 78 -12.212 -0.988 -7.984 626 2HB ASP 78 2HB ASP 78 -13.490 -2.217 -8.288 627 H GLN 79 H GLN 79 -10.421 -3.255 -8.025 628 HA GLN 79 HA GLN 79 -11.561 -5.723 -8.912 629 1HB GLN 79 1HB GLN 79 -8.745 -4.597 -9.274 630 2HB GLN 79 2HB GLN 79 -9.438 -5.973 -10.176 631 1HG GLN 79 1HG GLN 79 -10.471 -3.062 -10.304 632 2HG GLN 79 2HG GLN 79 -9.321 -3.826 -11.450 633 1HE2 GLN 79 1HE2 GLN 79 -10.748 -3.373 -13.168 634 2HE2 GLN 79 2HE2 GLN 79 -12.216 -4.291 -13.414 635 H LEU 80 H LEU 80 -9.314 -4.777 -6.362 636 HA LEU 80 HA LEU 80 -8.331 -7.403 -5.815 637 1HB LEU 80 1HB LEU 80 -8.412 -4.879 -4.141 638 2HB LEU 80 2HB LEU 80 -7.546 -6.380 -3.734 639 HG LEU 80 HG LEU 80 -6.940 -4.459 -6.028 640 1HD1 LEU 80 1HD1 LEU 80 -6.113 -3.857 -3.757 641 2HD1 LEU 80 2HD1 LEU 80 -4.762 -4.251 -4.887 642 3HD1 LEU 80 3HD1 LEU 80 -5.277 -5.452 -3.640 643 1HD2 LEU 80 1HD2 LEU 80 -5.039 -5.902 -6.686 644 2HD2 LEU 80 2HD2 LEU 80 -6.613 -6.701 -7.008 645 3HD2 LEU 80 3HD2 LEU 80 -5.622 -7.210 -5.595 646 H ILE 81 H ILE 81 -10.982 -5.411 -4.356 647 HA ILE 81 HA ILE 81 -11.603 -7.446 -2.568 648 HB ILE 81 HB ILE 81 -13.048 -5.110 -3.676 649 1HG1 ILE 81 1HG1 ILE 81 -11.855 -5.661 -0.889 650 2HG1 ILE 81 2HG1 ILE 81 -11.051 -4.740 -2.198 651 1HG2 ILE 81 1HG2 ILE 81 -14.045 -6.947 -1.376 652 2HG2 ILE 81 2HG2 ILE 81 -14.883 -6.678 -2.952 653 3HG2 ILE 81 3HG2 ILE 81 -14.765 -5.354 -1.777 654 1HD1 ILE 81 1HD1 ILE 81 -12.008 -3.158 -0.603 655 2HD1 ILE 81 2HD1 ILE 81 -13.630 -3.918 -0.713 656 3HD1 ILE 81 3HD1 ILE 81 -12.945 -3.050 -2.139 657 H ALA 82 H ALA 82 -12.766 -6.877 -5.886 658 HA ALA 82 HA ALA 82 -14.843 -8.692 -5.903 659 1HB ALA 82 1HB ALA 82 -14.287 -7.093 -7.734 660 2HB ALA 82 2HB ALA 82 -14.402 -8.768 -8.375 661 3HB ALA 82 3HB ALA 82 -12.784 -8.020 -8.096 662 H LYS 83 H LYS 83 -11.368 -9.321 -5.938 663 HA LYS 83 HA LYS 83 -11.812 -12.158 -6.365 664 1HB LYS 83 1HB LYS 83 -9.949 -10.928 -7.500 665 2HB LYS 83 2HB LYS 83 -9.211 -10.588 -5.904 666 1HG LYS 83 1HG LYS 83 -8.774 -12.930 -5.525 667 2HG LYS 83 2HG LYS 83 -9.845 -13.439 -6.875 668 1HD LYS 83 1HD LYS 83 -8.382 -12.479 -8.554 669 2HD LYS 83 2HD LYS 83 -7.380 -11.652 -7.316 670 1HE LYS 83 1HE LYS 83 -6.540 -13.736 -6.430 671 2HE LYS 83 2HE LYS 83 -7.655 -14.725 -7.477 672 1HZ LYS 83 1HZ LYS 83 -5.255 -14.418 -8.271 673 2HZ LYS 83 2HZ LYS 83 -5.682 -12.828 -8.638 674 3HZ LYS 83 3HZ LYS 83 -6.498 -14.093 -9.386 675 H TYR 84 H TYR 84 -10.921 -9.803 -3.838 676 HA TYR 84 HA TYR 84 -10.153 -11.951 -2.109 677 1HB TYR 84 1HB TYR 84 -9.947 -8.927 -1.787 678 2HB TYR 84 2HB TYR 84 -9.207 -10.152 -0.698 679 HD1 TYR 84 HD1 TYR 84 -8.291 -12.071 -3.047 680 HD2 TYR 84 HD2 TYR 84 -7.979 -7.897 -2.329 681 HE1 TYR 84 HE1 TYR 84 -6.249 -12.019 -4.335 682 HE2 TYR 84 HE2 TYR 84 -5.881 -7.842 -3.559 683 HH TYR 84 HH TYR 84 -4.587 -10.767 -5.129 684 H SER 85 H SER 85 -13.088 -10.158 -2.373 685 HA SER 85 HA SER 85 -13.977 -10.357 0.189 686 1HB SER 85 1HB SER 85 -15.229 -9.397 -1.736 687 2HB SER 85 2HB SER 85 -15.576 -11.042 -2.334 688 HG SER 85 HG SER 85 -17.059 -11.220 -0.849 689 H SER 86 H SER 86 -14.389 -12.986 -2.245 690 HA SER 86 HA SER 86 -13.640 -14.876 -0.198 691 1HB SER 86 1HB SER 86 -16.204 -15.176 -1.837 692 2HB SER 86 2HB SER 86 -15.398 -16.519 -0.959 693 HG SER 86 HG SER 86 -17.036 -15.676 0.275 Start of MODEL 19 1 1H VAL 1 1H VAL 1 -10.073 10.865 -2.546 2 2H VAL 1 2H VAL 1 -11.690 11.125 -2.903 3 3H VAL 1 3H VAL 1 -11.055 9.575 -2.997 4 HA VAL 1 HA VAL 1 -11.175 11.223 -0.559 5 HB VAL 1 HB VAL 1 -13.371 10.899 -1.256 6 1HG1 VAL 1 1HG1 VAL 1 -12.832 7.858 -1.337 7 2HG1 VAL 1 2HG1 VAL 1 -13.180 8.923 -2.747 8 3HG1 VAL 1 3HG1 VAL 1 -14.425 8.666 -1.487 9 1HG2 VAL 1 1HG2 VAL 1 -12.846 10.786 1.198 10 2HG2 VAL 1 2HG2 VAL 1 -12.795 8.980 1.081 11 3HG2 VAL 1 3HG2 VAL 1 -14.314 9.867 0.729 12 H SER 2 H SER 2 -9.391 10.793 0.545 13 HA SER 2 HA SER 2 -8.073 8.449 0.758 14 1HB SER 2 1HB SER 2 -7.283 10.767 1.262 15 2HB SER 2 2HB SER 2 -8.183 10.708 2.813 16 HG SER 2 HG SER 2 -6.782 9.228 3.523 17 H GLN 3 H GLN 3 -10.878 9.643 2.671 18 HA GLN 3 HA GLN 3 -10.662 7.886 4.683 19 1HB GLN 3 1HB GLN 3 -12.262 9.775 4.523 20 2HB GLN 3 2HB GLN 3 -13.267 8.847 3.374 21 1HG GLN 3 1HG GLN 3 -13.779 7.160 5.145 22 2HG GLN 3 2HG GLN 3 -12.614 7.961 6.265 23 1HE2 GLN 3 1HE2 GLN 3 -13.734 9.073 7.801 24 2HE2 GLN 3 2HE2 GLN 3 -15.165 10.034 7.520 25 H LEU 4 H LEU 4 -12.195 7.232 1.527 26 HA LEU 4 HA LEU 4 -13.217 4.701 2.189 27 1HB LEU 4 1HB LEU 4 -13.860 6.008 0.081 28 2HB LEU 4 2HB LEU 4 -12.183 5.735 -0.537 29 HG LEU 4 HG LEU 4 -12.432 3.393 -0.587 30 1HD1 LEU 4 1HD1 LEU 4 -14.021 2.872 1.279 31 2HD1 LEU 4 2HD1 LEU 4 -14.732 2.281 -0.261 32 3HD1 LEU 4 3HD1 LEU 4 -15.323 3.818 0.464 33 1HD2 LEU 4 1HD2 LEU 4 -14.877 4.807 -1.876 34 2HD2 LEU 4 2HD2 LEU 4 -14.130 3.268 -2.445 35 3HD2 LEU 4 3HD2 LEU 4 -13.194 4.822 -2.518 36 H PHE 5 H PHE 5 -10.221 5.897 0.785 37 HA PHE 5 HA PHE 5 -8.963 3.574 0.132 38 1HB PHE 5 1HB PHE 5 -7.977 5.440 -0.767 39 2HB PHE 5 2HB PHE 5 -8.323 6.438 0.668 40 HD1 PHE 5 HD1 PHE 5 -6.881 6.153 2.747 41 HD2 PHE 5 HD2 PHE 5 -5.823 4.656 -1.097 42 HE1 PHE 5 HE1 PHE 5 -4.610 5.799 3.526 43 HE2 PHE 5 HE2 PHE 5 -3.555 4.279 -0.329 44 HZ PHE 5 HZ PHE 5 -2.964 4.780 2.058 45 H GLU 6 H GLU 6 -9.300 5.057 3.275 46 HA GLU 6 HA GLU 6 -7.475 3.232 4.553 47 1HB GLU 6 1HB GLU 6 -9.514 5.221 5.628 48 2HB GLU 6 2HB GLU 6 -8.651 4.076 6.709 49 1HG GLU 6 1HG GLU 6 -6.454 4.920 5.937 50 2HG GLU 6 2HG GLU 6 -7.276 6.131 4.878 51 H GLU 7 H GLU 7 -11.007 3.483 4.343 52 HA GLU 7 HA GLU 7 -11.673 1.315 5.938 53 1HB GLU 7 1HB GLU 7 -13.283 2.963 5.349 54 2HB GLU 7 2HB GLU 7 -12.989 2.766 3.602 55 1HG GLU 7 1HG GLU 7 -14.129 0.656 3.509 56 2HG GLU 7 2HG GLU 7 -14.221 0.519 5.308 57 H LYS 8 H LYS 8 -10.933 1.458 2.472 58 HA LYS 8 HA LYS 8 -11.203 -1.363 2.126 59 1HB LYS 8 1HB LYS 8 -9.892 0.806 0.391 60 2HB LYS 8 2HB LYS 8 -10.186 -0.897 -0.093 61 1HG LYS 8 1HG LYS 8 -12.277 1.278 0.383 62 2HG LYS 8 2HG LYS 8 -11.837 0.441 -1.131 63 1HD LYS 8 1HD LYS 8 -12.571 -1.734 0.390 64 2HD LYS 8 2HD LYS 8 -13.540 -0.461 1.188 65 1HE LYS 8 1HE LYS 8 -14.416 0.141 -1.216 66 2HE LYS 8 2HE LYS 8 -13.593 -1.371 -1.774 67 1HZ LYS 8 1HZ LYS 8 -14.954 -2.497 0.075 68 2HZ LYS 8 2HZ LYS 8 -15.787 -1.956 -1.284 69 3HZ LYS 8 3HZ LYS 8 -15.812 -1.053 0.155 70 H ALA 9 H ALA 9 -8.276 0.826 2.590 71 HA ALA 9 HA ALA 9 -6.638 -1.185 1.708 72 1HB ALA 9 1HB ALA 9 -4.797 0.171 2.615 73 2HB ALA 9 2HB ALA 9 -5.965 1.192 3.570 74 3HB ALA 9 3HB ALA 9 -5.959 1.239 1.773 75 H LYS 10 H LYS 10 -7.539 -0.189 4.969 76 HA LYS 10 HA LYS 10 -5.847 -1.931 6.384 77 1HB LYS 10 1HB LYS 10 -8.435 -0.452 6.873 78 2HB LYS 10 2HB LYS 10 -7.618 -1.377 8.207 79 1HG LYS 10 1HG LYS 10 -6.479 1.007 6.614 80 2HG LYS 10 2HG LYS 10 -7.195 1.131 8.230 81 1HD LYS 10 1HD LYS 10 -4.669 -0.511 7.532 82 2HD LYS 10 2HD LYS 10 -4.663 1.164 8.109 83 1HE LYS 10 1HE LYS 10 -5.717 -1.238 9.742 84 2HE LYS 10 2HE LYS 10 -4.114 -0.424 9.914 85 1HZ LYS 10 1HZ LYS 10 -5.478 0.539 11.521 86 2HZ LYS 10 2HZ LYS 10 -6.804 0.682 10.494 87 3HZ LYS 10 3HZ LYS 10 -5.469 1.683 10.282 88 H ALA 11 H ALA 11 -8.730 -2.576 4.584 89 HA ALA 11 HA ALA 11 -9.122 -5.163 5.811 90 1HB ALA 11 1HB ALA 11 -10.288 -3.950 3.232 91 2HB ALA 11 2HB ALA 11 -11.097 -4.026 4.844 92 3HB ALA 11 3HB ALA 11 -10.713 -5.536 3.947 93 H VAL 12 H VAL 12 -7.816 -3.947 2.581 94 HA VAL 12 HA VAL 12 -7.360 -6.534 1.794 95 HB VAL 12 HB VAL 12 -6.341 -5.763 -0.161 96 1HG1 VAL 12 1HG1 VAL 12 -8.071 -4.546 -1.017 97 2HG1 VAL 12 2HG1 VAL 12 -8.459 -3.699 0.534 98 3HG1 VAL 12 3HG1 VAL 12 -8.830 -5.456 0.336 99 1HG2 VAL 12 1HG2 VAL 12 -4.682 -4.117 0.730 100 2HG2 VAL 12 2HG2 VAL 12 -6.018 -3.045 1.275 101 3HG2 VAL 12 3HG2 VAL 12 -5.761 -3.337 -0.474 102 H ASN 13 H ASN 13 -5.396 -4.526 3.807 103 HA ASN 13 HA ASN 13 -3.058 -6.110 3.328 104 1HB ASN 13 1HB ASN 13 -3.859 -4.133 5.543 105 2HB ASN 13 2HB ASN 13 -2.346 -5.096 5.663 106 1HD2 ASN 13 1HD2 ASN 13 -3.991 -2.615 3.599 107 2HD2 ASN 13 2HD2 ASN 13 -2.477 -1.955 3.039 108 H GLU 14 H GLU 14 -5.920 -6.858 5.054 109 HA GLU 14 HA GLU 14 -4.466 -9.016 6.420 110 1HB GLU 14 1HB GLU 14 -5.987 -8.877 8.274 111 2HB GLU 14 2HB GLU 14 -5.189 -7.307 8.044 112 1HG GLU 14 1HG GLU 14 -7.195 -6.313 7.051 113 2HG GLU 14 2HG GLU 14 -8.012 -7.897 6.916 114 H LEU 15 H LEU 15 -6.372 -8.661 3.781 115 HA LEU 15 HA LEU 15 -8.630 -9.993 4.465 116 1HB LEU 15 1HB LEU 15 -7.182 -9.166 1.988 117 2HB LEU 15 2HB LEU 15 -8.414 -10.430 1.722 118 HG LEU 15 HG LEU 15 -8.897 -7.682 2.963 119 1HD1 LEU 15 1HD1 LEU 15 -10.092 -7.140 0.929 120 2HD1 LEU 15 2HD1 LEU 15 -9.968 -8.817 0.311 121 3HD1 LEU 15 3HD1 LEU 15 -8.484 -7.797 0.407 122 1HD2 LEU 15 1HD2 LEU 15 -11.327 -8.148 2.777 123 2HD2 LEU 15 2HD2 LEU 15 -10.556 -9.258 3.955 124 3HD2 LEU 15 3HD2 LEU 15 -10.984 -9.842 2.291 125 HA PRO 16 HA PRO 16 -7.467 -14.010 4.901 126 1HB PRO 16 1HB PRO 16 -9.731 -15.469 4.334 127 2HB PRO 16 2HB PRO 16 -9.750 -14.215 5.641 128 1HG PRO 16 1HG PRO 16 -10.679 -13.853 2.711 129 2HG PRO 16 2HG PRO 16 -11.597 -13.437 4.221 130 1HD PRO 16 1HD PRO 16 -9.996 -11.680 2.743 131 2HD PRO 16 2HD PRO 16 -10.216 -11.490 4.555 132 H THR 17 H THR 17 -8.492 -13.006 1.844 133 HA THR 17 HA THR 17 -7.333 -15.306 0.403 134 HB THR 17 HB THR 17 -9.521 -13.337 -0.399 135 HG1 THR 17 HG1 THR 17 -10.810 -15.093 -0.421 136 1HG2 THR 17 1HG2 THR 17 -8.004 -13.993 -2.362 137 2HG2 THR 17 2HG2 THR 17 -9.677 -14.595 -2.525 138 3HG2 THR 17 3HG2 THR 17 -8.368 -15.730 -2.012 139 H LYS 18 H LYS 18 -5.478 -14.213 1.145 140 HA LYS 18 HA LYS 18 -5.021 -11.644 1.227 141 1HB LYS 18 1HB LYS 18 -3.019 -13.888 0.726 142 2HB LYS 18 2HB LYS 18 -2.506 -12.244 1.209 143 1HG LYS 18 1HG LYS 18 -3.831 -12.389 3.291 144 2HG LYS 18 2HG LYS 18 -4.377 -14.029 2.870 145 1HD LYS 18 1HD LYS 18 -2.029 -14.856 2.832 146 2HD LYS 18 2HD LYS 18 -1.418 -13.199 3.149 147 1HE LYS 18 1HE LYS 18 -2.535 -13.170 5.375 148 2HE LYS 18 2HE LYS 18 -3.210 -14.816 5.086 149 1HZ LYS 18 1HZ LYS 18 -0.297 -14.112 5.207 150 2HZ LYS 18 2HZ LYS 18 -0.929 -15.690 5.071 151 3HZ LYS 18 3HZ LYS 18 -1.196 -14.757 6.437 152 HA PRO 19 HA PRO 19 -4.031 -9.844 -2.593 153 1HB PRO 19 1HB PRO 19 -1.579 -8.743 -1.165 154 2HB PRO 19 2HB PRO 19 -2.675 -7.898 -2.339 155 1HG PRO 19 1HG PRO 19 -3.060 -7.555 0.375 156 2HG PRO 19 2HG PRO 19 -4.497 -7.885 -0.677 157 1HD PRO 19 1HD PRO 19 -2.941 -9.855 1.073 158 2HD PRO 19 2HD PRO 19 -4.738 -9.657 0.827 159 H SER 20 H SER 20 -2.936 -10.579 -4.479 160 HA SER 20 HA SER 20 -0.959 -12.609 -4.134 161 1HB SER 20 1HB SER 20 -2.850 -12.798 -5.735 162 2HB SER 20 2HB SER 20 -2.192 -11.418 -6.656 163 HG SER 20 HG SER 20 -1.076 -14.012 -6.287 164 H THR 21 H THR 21 0.935 -12.658 -5.734 165 HA THR 21 HA THR 21 2.765 -11.166 -4.540 166 HB THR 21 HB THR 21 3.138 -12.392 -7.281 167 HG1 THR 21 HG1 THR 21 2.665 -14.097 -6.300 168 1HG2 THR 21 1HG2 THR 21 5.047 -11.891 -4.900 169 2HG2 THR 21 2HG2 THR 21 5.126 -11.107 -6.530 170 3HG2 THR 21 3HG2 THR 21 5.437 -12.865 -6.366 171 H ASP 22 H ASP 22 1.974 -10.566 -8.019 172 HA ASP 22 HA ASP 22 3.526 -8.204 -8.068 173 1HB ASP 22 1HB ASP 22 1.375 -9.410 -9.907 174 2HB ASP 22 2HB ASP 22 2.178 -7.849 -10.277 175 H GLU 23 H GLU 23 0.251 -8.873 -7.082 176 HA GLU 23 HA GLU 23 -0.640 -6.209 -7.560 177 1HB GLU 23 1HB GLU 23 -2.069 -8.377 -5.963 178 2HB GLU 23 2HB GLU 23 -2.754 -6.919 -6.751 179 1HG GLU 23 1HG GLU 23 -1.584 -8.009 -8.935 180 2HG GLU 23 2HG GLU 23 -1.741 -9.529 -8.000 181 H LEU 24 H LEU 24 0.331 -8.080 -4.666 182 HA LEU 24 HA LEU 24 -0.013 -6.402 -2.664 183 1HB LEU 24 1HB LEU 24 0.874 -8.760 -2.743 184 2HB LEU 24 2HB LEU 24 2.416 -8.139 -3.388 185 HG LEU 24 HG LEU 24 2.712 -6.846 -1.190 186 1HD1 LEU 24 1HD1 LEU 24 1.289 -7.517 0.751 187 2HD1 LEU 24 2HD1 LEU 24 0.303 -8.571 -0.333 188 3HD1 LEU 24 3HD1 LEU 24 0.265 -6.775 -0.538 189 1HD2 LEU 24 1HD2 LEU 24 3.800 -9.053 -1.657 190 2HD2 LEU 24 2HD2 LEU 24 2.335 -9.906 -1.045 191 3HD2 LEU 24 3HD2 LEU 24 3.340 -8.921 0.091 192 H LEU 25 H LEU 25 2.830 -6.321 -4.847 193 HA LEU 25 HA LEU 25 4.258 -4.264 -3.823 194 1HB LEU 25 1HB LEU 25 3.522 -4.901 -6.746 195 2HB LEU 25 2HB LEU 25 4.865 -3.812 -6.279 196 HG LEU 25 HG LEU 25 4.713 -6.778 -5.480 197 1HD1 LEU 25 1HD1 LEU 25 6.316 -7.158 -7.345 198 2HD1 LEU 25 2HD1 LEU 25 6.216 -5.413 -7.811 199 3HD1 LEU 25 3HD1 LEU 25 4.763 -6.466 -7.966 200 1HD2 LEU 25 1HD2 LEU 25 6.184 -5.212 -4.058 201 2HD2 LEU 25 2HD2 LEU 25 7.056 -4.762 -5.554 202 3HD2 LEU 25 3HD2 LEU 25 7.120 -6.473 -4.959 203 H GLU 26 H GLU 26 1.641 -3.913 -6.227 204 HA GLU 26 HA GLU 26 1.814 -1.093 -6.205 205 1HB GLU 26 1HB GLU 26 -0.291 -2.984 -7.355 206 2HB GLU 26 2HB GLU 26 -0.139 -1.232 -7.729 207 1HG GLU 26 1HG GLU 26 2.221 -1.643 -8.534 208 2HG GLU 26 2HG GLU 26 1.982 -3.411 -8.316 209 H LEU 27 H LEU 27 -0.354 -3.431 -4.620 210 HA LEU 27 HA LEU 27 -2.087 -1.495 -3.560 211 1HB LEU 27 1HB LEU 27 -1.504 -4.408 -3.087 212 2HB LEU 27 2HB LEU 27 -2.446 -3.524 -1.834 213 HG LEU 27 HG LEU 27 -4.226 -3.020 -3.298 214 1HD1 LEU 27 1HD1 LEU 27 -2.765 -4.365 -5.651 215 2HD1 LEU 27 2HD1 LEU 27 -2.906 -2.575 -5.440 216 3HD1 LEU 27 3HD1 LEU 27 -4.387 -3.548 -5.634 217 1HD2 LEU 27 1HD2 LEU 27 -3.371 -5.936 -3.749 218 2HD2 LEU 27 2HD2 LEU 27 -5.054 -5.274 -3.740 219 3HD2 LEU 27 3HD2 LEU 27 -4.082 -5.286 -2.223 220 H TYR 28 H TYR 28 0.931 -2.900 -2.267 221 HA TYR 28 HA TYR 28 0.949 -1.433 0.115 222 1HB TYR 28 1HB TYR 28 2.520 -3.272 -0.204 223 2HB TYR 28 2HB TYR 28 3.155 -2.515 -1.694 224 HD1 TYR 28 HD1 TYR 28 3.427 -2.627 1.931 225 HD2 TYR 28 HD2 TYR 28 4.586 -0.579 -1.610 226 HE1 TYR 28 HE1 TYR 28 5.386 -1.722 3.076 227 HE2 TYR 28 HE2 TYR 28 6.389 0.487 -0.440 228 HH TYR 28 HH TYR 28 7.398 -0.659 2.764 229 H ALA 29 H ALA 29 2.478 -0.645 -3.096 230 HA ALA 29 HA ALA 29 3.602 1.646 -2.379 231 1HB ALA 29 1HB ALA 29 2.281 0.967 -5.075 232 2HB ALA 29 2HB ALA 29 3.919 0.456 -4.544 233 3HB ALA 29 3HB ALA 29 3.581 2.197 -4.829 234 H LEU 30 H LEU 30 0.277 1.462 -3.748 235 HA LEU 30 HA LEU 30 -0.209 4.217 -3.381 236 1HB LEU 30 1HB LEU 30 -2.058 1.793 -3.703 237 2HB LEU 30 2HB LEU 30 -2.647 3.473 -3.445 238 HG LEU 30 HG LEU 30 -1.153 4.126 -5.500 239 1HD1 LEU 30 1HD1 LEU 30 -1.929 1.168 -6.046 240 2HD1 LEU 30 2HD1 LEU 30 -0.217 1.773 -5.973 241 3HD1 LEU 30 3HD1 LEU 30 -1.332 2.319 -7.299 242 1HD2 LEU 30 1HD2 LEU 30 -3.192 3.813 -6.833 243 2HD2 LEU 30 2HD2 LEU 30 -3.517 4.416 -5.130 244 3HD2 LEU 30 3HD2 LEU 30 -3.853 2.682 -5.564 245 H TYR 31 H TYR 31 -0.891 1.401 -1.274 246 HA TYR 31 HA TYR 31 -2.449 2.748 0.587 247 1HB TYR 31 1HB TYR 31 -2.430 0.359 0.578 248 2HB TYR 31 2HB TYR 31 -0.655 0.319 0.879 249 HD1 TYR 31 HD1 TYR 31 -3.592 2.153 2.385 250 HD2 TYR 31 HD2 TYR 31 -0.110 -0.184 2.974 251 HE1 TYR 31 HE1 TYR 31 -3.913 2.337 4.785 252 HE2 TYR 31 HE2 TYR 31 -0.367 0.033 5.401 253 HH TYR 31 HH TYR 31 -2.835 2.184 6.776 254 H LYS 32 H LYS 32 1.095 2.084 0.619 255 HA LYS 32 HA LYS 32 1.663 3.758 2.773 256 1HB LYS 32 1HB LYS 32 3.443 2.902 0.438 257 2HB LYS 32 2HB LYS 32 4.020 3.587 1.979 258 1HG LYS 32 1HG LYS 32 2.725 0.864 1.493 259 2HG LYS 32 2HG LYS 32 4.360 1.284 2.057 260 1HD LYS 32 1HD LYS 32 1.729 1.541 3.635 261 2HD LYS 32 2HD LYS 32 3.063 0.372 3.867 262 1HE LYS 32 1HE LYS 32 4.606 2.398 4.349 263 2HE LYS 32 2HE LYS 32 3.102 3.418 4.408 264 1HZ LYS 32 1HZ LYS 32 3.702 1.024 6.081 265 2HZ LYS 32 2HZ LYS 32 2.272 1.922 6.160 266 3HZ LYS 32 3HZ LYS 32 3.751 2.627 6.583 267 H GLN 33 H GLN 33 1.273 4.634 -0.669 268 HA GLN 33 HA GLN 33 2.360 7.162 -0.468 269 1HB GLN 33 1HB GLN 33 0.188 5.972 -2.229 270 2HB GLN 33 2HB GLN 33 0.570 7.703 -2.359 271 1HG GLN 33 1HG GLN 33 2.694 7.408 -3.172 272 2HG GLN 33 2HG GLN 33 2.841 5.757 -2.423 273 1HE2 GLN 33 1HE2 GLN 33 3.478 4.660 -4.336 274 2HE2 GLN 33 2HE2 GLN 33 2.401 4.471 -5.704 275 H ALA 34 H ALA 34 -1.079 6.266 -0.074 276 HA ALA 34 HA ALA 34 -1.561 9.044 0.724 277 1HB ALA 34 1HB ALA 34 -3.218 8.598 -0.778 278 2HB ALA 34 2HB ALA 34 -4.066 8.183 0.742 279 3HB ALA 34 3HB ALA 34 -3.367 6.876 -0.293 280 H THR 35 H THR 35 -0.964 6.022 2.366 281 HA THR 35 HA THR 35 -2.259 6.720 4.710 282 HB THR 35 HB THR 35 0.324 5.179 4.376 283 HG1 THR 35 HG1 THR 35 -1.406 4.111 3.570 284 1HG2 THR 35 1HG2 THR 35 -1.605 5.656 6.754 285 2HG2 THR 35 2HG2 THR 35 0.160 6.102 6.713 286 3HG2 THR 35 3HG2 THR 35 -0.341 4.369 6.700 287 H VAL 36 H VAL 36 1.180 7.319 3.687 288 HA VAL 36 HA VAL 36 1.363 9.276 5.843 289 HB VAL 36 HB VAL 36 3.085 7.947 6.030 290 1HG1 VAL 36 1HG1 VAL 36 4.718 7.461 4.086 291 2HG1 VAL 36 2HG1 VAL 36 3.408 7.940 2.969 292 3HG1 VAL 36 3HG1 VAL 36 3.174 6.561 4.100 293 1HG2 VAL 36 1HG2 VAL 36 4.210 10.333 4.434 294 2HG2 VAL 36 2HG2 VAL 36 5.056 9.329 5.653 295 3HG2 VAL 36 3HG2 VAL 36 3.675 10.357 6.159 296 H GLY 37 H GLY 37 1.984 9.235 2.288 297 1HA GLY 37 1HA GLY 37 1.138 10.935 1.047 298 2HA GLY 37 2HA GLY 37 1.569 12.126 2.361 299 H ASP 38 H ASP 38 4.131 10.560 2.633 300 HA ASP 38 HA ASP 38 5.531 11.412 0.204 301 1HB ASP 38 1HB ASP 38 6.652 11.353 3.074 302 2HB ASP 38 2HB ASP 38 7.542 11.892 1.610 303 H ASN 39 H ASN 39 7.718 9.812 0.112 304 HA ASN 39 HA ASN 39 7.228 7.369 1.433 305 1HB ASN 39 1HB ASN 39 9.434 6.689 1.058 306 2HB ASN 39 2HB ASN 39 8.845 7.522 -0.408 307 1HD2 ASN 39 1HD2 ASN 39 11.386 7.290 1.833 308 2HD2 ASN 39 2HD2 ASN 39 12.236 8.741 1.430 309 H ASP 40 H ASP 40 7.229 6.839 3.528 310 HA ASP 40 HA ASP 40 8.266 8.725 5.438 311 1HB ASP 40 1HB ASP 40 6.069 7.383 5.658 312 2HB ASP 40 2HB ASP 40 7.078 5.939 5.989 313 H LYS 41 H LYS 41 8.852 5.246 4.713 314 HA LYS 41 HA LYS 41 11.392 5.266 6.053 315 1HB LYS 41 1HB LYS 41 9.930 3.199 4.309 316 2HB LYS 41 2HB LYS 41 11.418 2.865 5.215 317 1HG LYS 41 1HG LYS 41 10.300 3.135 7.354 318 2HG LYS 41 2HG LYS 41 8.819 3.774 6.593 319 1HD LYS 41 1HD LYS 41 9.467 1.217 5.357 320 2HD LYS 41 2HD LYS 41 9.522 0.993 7.115 321 1HE LYS 41 1HE LYS 41 7.166 2.356 5.650 322 2HE LYS 41 2HE LYS 41 7.257 0.564 5.947 323 1HZ LYS 41 1HZ LYS 41 7.085 2.738 7.983 324 2HZ LYS 41 2HZ LYS 41 7.582 1.197 8.363 325 3HZ LYS 41 3HZ LYS 41 6.038 1.455 7.757 326 H GLU 42 H GLU 42 13.351 4.681 4.885 327 HA GLU 42 HA GLU 42 13.164 4.682 1.991 328 1HB GLU 42 1HB GLU 42 13.658 7.023 2.865 329 2HB GLU 42 2HB GLU 42 15.265 6.411 3.370 330 1HG GLU 42 1HG GLU 42 15.581 5.636 0.882 331 2HG GLU 42 2HG GLU 42 14.045 6.488 0.514 332 H LYS 43 H LYS 43 13.549 2.884 4.326 333 HA LYS 43 HA LYS 43 15.921 1.516 3.221 334 1HB LYS 43 1HB LYS 43 16.415 2.589 5.419 335 2HB LYS 43 2HB LYS 43 15.205 1.524 6.173 336 1HG LYS 43 1HG LYS 43 16.521 -0.485 5.398 337 2HG LYS 43 2HG LYS 43 17.635 0.603 4.513 338 1HD LYS 43 1HD LYS 43 18.316 1.668 6.682 339 2HD LYS 43 2HD LYS 43 17.190 0.599 7.564 340 1HE LYS 43 1HE LYS 43 19.564 -0.182 7.728 341 2HE LYS 43 2HE LYS 43 18.512 -1.415 6.926 342 1HZ LYS 43 1HZ LYS 43 20.752 -0.871 5.843 343 2HZ LYS 43 2HZ LYS 43 20.036 0.567 5.314 344 3HZ LYS 43 3HZ LYS 43 19.401 -0.891 4.849 345 HA PRO 44 HA PRO 44 13.296 -1.995 3.350 346 1HB PRO 44 1HB PRO 44 13.496 -2.773 0.774 347 2HB PRO 44 2HB PRO 44 12.336 -1.453 1.245 348 1HG PRO 44 1HG PRO 44 15.180 -1.064 0.124 349 2HG PRO 44 2HG PRO 44 13.642 -0.366 -0.534 350 1HD PRO 44 1HD PRO 44 15.298 0.932 1.312 351 2HD PRO 44 2HD PRO 44 13.495 1.199 1.283 352 H GLY 45 H GLY 45 14.628 -4.150 3.241 353 1HA GLY 45 1HA GLY 45 17.227 -3.442 4.047 354 2HA GLY 45 2HA GLY 45 16.467 -5.044 3.972 355 H ILE 46 H ILE 46 18.198 -6.160 3.266 356 HA ILE 46 HA ILE 46 19.617 -5.164 0.900 357 HB ILE 46 HB ILE 46 21.445 -6.700 1.760 358 1HG1 ILE 46 1HG1 ILE 46 20.061 -6.161 4.458 359 2HG1 ILE 46 2HG1 ILE 46 19.956 -7.755 3.659 360 1HG2 ILE 46 1HG2 ILE 46 22.292 -4.801 3.106 361 2HG2 ILE 46 2HG2 ILE 46 20.623 -4.148 3.278 362 3HG2 ILE 46 3HG2 ILE 46 21.423 -4.185 1.656 363 1HD1 ILE 46 1HD1 ILE 46 21.779 -7.792 5.293 364 2HD1 ILE 46 2HD1 ILE 46 22.560 -6.358 4.549 365 3HD1 ILE 46 3HD1 ILE 46 22.477 -7.910 3.640 366 H PHE 47 H PHE 47 19.349 -8.448 2.305 367 HA PHE 47 HA PHE 47 18.753 -9.594 -0.210 368 1HB PHE 47 1HB PHE 47 18.282 -11.655 1.388 369 2HB PHE 47 2HB PHE 47 19.934 -11.018 1.127 370 HD1 PHE 47 HD1 PHE 47 17.064 -10.179 3.457 371 HD2 PHE 47 HD2 PHE 47 21.217 -10.953 2.927 372 HE1 PHE 47 HE1 PHE 47 17.475 -9.571 5.777 373 HE2 PHE 47 HE2 PHE 47 21.616 -10.413 5.275 374 HZ PHE 47 HZ PHE 47 19.760 -9.627 6.681 375 H ASN 48 H ASN 48 16.862 -7.795 1.869 376 HA ASN 48 HA ASN 48 14.405 -9.123 1.684 377 1HB ASN 48 1HB ASN 48 15.029 -6.192 2.222 378 2HB ASN 48 2HB ASN 48 13.473 -7.026 2.553 379 1HD2 ASN 48 1HD2 ASN 48 13.452 -8.790 4.181 380 2HD2 ASN 48 2HD2 ASN 48 14.634 -8.755 5.458 381 H MET 49 H MET 49 14.785 -9.576 -0.718 382 HA MET 49 HA MET 49 14.504 -7.567 -2.615 383 1HB MET 49 1HB MET 49 14.024 -9.374 -4.219 384 2HB MET 49 2HB MET 49 15.483 -9.652 -3.236 385 1HG MET 49 1HG MET 49 14.359 -11.274 -1.816 386 2HG MET 49 2HG MET 49 12.781 -10.962 -2.584 387 1HE MET 49 1HE MET 49 12.808 -10.881 -5.441 388 2HE MET 49 2HE MET 49 11.842 -12.078 -4.515 389 3HE MET 49 3HE MET 49 12.776 -12.607 -5.948 390 H LYS 50 H LYS 50 12.045 -9.370 -0.818 391 HA LYS 50 HA LYS 50 9.929 -8.505 -2.430 392 1HB LYS 50 1HB LYS 50 8.457 -9.405 -0.903 393 2HB LYS 50 2HB LYS 50 9.921 -10.428 -0.810 394 1HG LYS 50 1HG LYS 50 10.583 -9.245 1.316 395 2HG LYS 50 2HG LYS 50 9.115 -8.238 1.197 396 1HD LYS 50 1HD LYS 50 8.558 -9.916 2.749 397 2HD LYS 50 2HD LYS 50 7.673 -10.286 1.248 398 1HE LYS 50 1HE LYS 50 8.516 -12.351 2.250 399 2HE LYS 50 2HE LYS 50 9.409 -12.082 0.701 400 1HZ LYS 50 1HZ LYS 50 11.276 -11.275 1.948 401 2HZ LYS 50 2HZ LYS 50 10.752 -12.747 2.631 402 3HZ LYS 50 3HZ LYS 50 10.408 -11.300 3.406 403 H ASP 51 H ASP 51 11.283 -7.069 0.578 404 HA ASP 51 HA ASP 51 9.568 -4.863 0.536 405 1HB ASP 51 1HB ASP 51 12.350 -5.209 1.813 406 2HB ASP 51 2HB ASP 51 11.234 -3.815 2.091 407 H ARG 52 H ARG 52 12.872 -5.293 -0.811 408 HA ARG 52 HA ARG 52 13.216 -2.739 -1.714 409 1HB ARG 52 1HB ARG 52 14.140 -5.435 -2.717 410 2HB ARG 52 2HB ARG 52 14.584 -3.952 -3.616 411 1HG ARG 52 1HG ARG 52 15.814 -3.018 -1.821 412 2HG ARG 52 2HG ARG 52 15.111 -4.136 -0.613 413 1HD ARG 52 1HD ARG 52 17.525 -4.647 -1.213 414 2HD ARG 52 2HD ARG 52 16.345 -6.004 -1.384 415 HE ARG 52 HE ARG 52 16.859 -4.385 -3.859 416 1HH1 ARG 52 1HH1 ARG 52 18.086 -7.155 -2.027 417 2HH1 ARG 52 2HH1 ARG 52 18.187 -8.205 -3.377 418 1HH2 ARG 52 1HH2 ARG 52 17.003 -5.828 -5.727 419 2HH2 ARG 52 2HH2 ARG 52 17.581 -7.445 -5.451 420 H TYR 53 H TYR 53 11.551 -5.345 -3.595 421 HA TYR 53 HA TYR 53 10.971 -3.649 -5.740 422 1HB TYR 53 1HB TYR 53 9.455 -6.081 -4.661 423 2HB TYR 53 2HB TYR 53 9.177 -5.328 -6.274 424 HD1 TYR 53 HD1 TYR 53 9.430 -7.993 -6.067 425 HD2 TYR 53 HD2 TYR 53 12.598 -5.172 -6.352 426 HE1 TYR 53 HE1 TYR 53 10.832 -9.683 -7.120 427 HE2 TYR 53 HE2 TYR 53 14.008 -6.860 -7.384 428 HH TYR 53 HH TYR 53 12.725 -10.094 -8.157 429 H LYS 54 H LYS 54 9.009 -4.507 -2.881 430 HA LYS 54 HA LYS 54 6.753 -3.109 -3.367 431 1HB LYS 54 1HB LYS 54 7.973 -4.541 -1.245 432 2HB LYS 54 2HB LYS 54 7.750 -2.950 -0.539 433 1HG LYS 54 1HG LYS 54 5.701 -3.642 0.005 434 2HG LYS 54 2HG LYS 54 5.274 -3.331 -1.700 435 1HD LYS 54 1HD LYS 54 4.426 -5.492 -1.193 436 2HD LYS 54 2HD LYS 54 5.878 -5.763 -2.215 437 1HE LYS 54 1HE LYS 54 5.634 -7.406 -0.377 438 2HE LYS 54 2HE LYS 54 7.203 -6.510 -0.304 439 1HZ LYS 54 1HZ LYS 54 6.409 -5.211 1.491 440 2HZ LYS 54 2HZ LYS 54 6.014 -6.800 1.848 441 3HZ LYS 54 3HZ LYS 54 4.812 -5.766 1.328 442 H TRP 55 H TRP 55 9.647 -1.958 -1.695 443 HA TRP 55 HA TRP 55 8.639 0.607 -1.209 444 1HB TRP 55 1HB TRP 55 10.298 -0.787 0.136 445 2HB TRP 55 2HB TRP 55 11.538 -0.367 -1.096 446 HD1 TRP 55 HD1 TRP 55 9.536 1.144 1.897 447 HE1 TRP 55 HE1 TRP 55 9.614 3.699 1.693 448 HE3 TRP 55 HE3 TRP 55 12.831 1.570 -1.938 449 HZ2 TRP 55 HZ2 TRP 55 11.400 5.602 0.566 450 HZ3 TRP 55 HZ3 TRP 55 13.772 3.765 -2.456 451 HH2 TRP 55 HH2 TRP 55 13.040 5.759 -1.269 452 H GLU 56 H GLU 56 10.624 -0.708 -3.884 453 HA GLU 56 HA GLU 56 11.365 1.821 -4.864 454 1HB GLU 56 1HB GLU 56 12.585 -0.265 -5.372 455 2HB GLU 56 2HB GLU 56 11.164 -0.907 -6.238 456 1HG GLU 56 1HG GLU 56 11.347 0.896 -7.953 457 2HG GLU 56 2HG GLU 56 12.666 1.684 -7.023 458 H ALA 57 H ALA 57 8.550 -0.282 -5.345 459 HA ALA 57 HA ALA 57 7.448 1.230 -7.423 460 1HB ALA 57 1HB ALA 57 6.093 -0.577 -5.322 461 2HB ALA 57 2HB ALA 57 6.827 -1.146 -6.859 462 3HB ALA 57 3HB ALA 57 5.377 -0.074 -6.902 463 H TRP 58 H TRP 58 7.663 1.738 -4.025 464 HA TRP 58 HA TRP 58 5.403 3.471 -3.855 465 1HB TRP 58 1HB TRP 58 5.948 2.026 -1.934 466 2HB TRP 58 2HB TRP 58 7.580 2.769 -1.790 467 HD1 TRP 58 HD1 TRP 58 4.709 5.147 -2.340 468 HE1 TRP 58 HE1 TRP 58 4.139 6.303 -0.040 469 HE3 TRP 58 HE3 TRP 58 7.579 2.328 0.669 470 HZ2 TRP 58 HZ2 TRP 58 5.173 6.254 2.499 471 HZ3 TRP 58 HZ3 TRP 58 7.670 2.808 3.066 472 HH2 TRP 58 HH2 TRP 58 6.479 4.694 4.012 473 H GLU 59 H GLU 59 8.942 3.687 -3.570 474 HA GLU 59 HA GLU 59 9.485 6.257 -3.256 475 1HB GLU 59 1HB GLU 59 11.005 4.280 -3.316 476 2HB GLU 59 2HB GLU 59 10.884 4.209 -5.083 477 1HG GLU 59 1HG GLU 59 12.046 6.619 -3.526 478 2HG GLU 59 2HG GLU 59 13.005 5.210 -4.081 479 H ASN 60 H ASN 60 8.658 4.694 -6.349 480 HA ASN 60 HA ASN 60 9.265 6.783 -8.004 481 1HB ASN 60 1HB ASN 60 8.277 4.265 -8.310 482 2HB ASN 60 2HB ASN 60 6.745 5.147 -8.549 483 1HD2 ASN 60 1HD2 ASN 60 10.035 4.562 -9.732 484 2HD2 ASN 60 2HD2 ASN 60 9.760 5.134 -11.357 485 H LEU 61 H LEU 61 6.510 6.506 -5.870 486 HA LEU 61 HA LEU 61 5.468 9.057 -6.928 487 1HB LEU 61 1HB LEU 61 4.127 6.481 -6.179 488 2HB LEU 61 2HB LEU 61 3.249 7.975 -5.772 489 HG LEU 61 HG LEU 61 3.600 8.767 -8.155 490 1HD1 LEU 61 1HD1 LEU 61 4.517 5.855 -8.455 491 2HD1 LEU 61 2HD1 LEU 61 5.322 7.374 -9.048 492 3HD1 LEU 61 3HD1 LEU 61 3.820 6.800 -9.853 493 1HD2 LEU 61 1HD2 LEU 61 1.411 7.944 -7.378 494 2HD2 LEU 61 2HD2 LEU 61 1.933 6.224 -7.593 495 3HD2 LEU 61 3HD2 LEU 61 1.715 7.305 -9.034 496 H LYS 62 H LYS 62 7.450 8.478 -4.781 497 HA LYS 62 HA LYS 62 6.454 8.762 -2.316 498 1HB LYS 62 1HB LYS 62 8.742 9.290 -1.667 499 2HB LYS 62 2HB LYS 62 8.747 8.142 -3.025 500 1HG LYS 62 1HG LYS 62 9.138 10.150 -4.597 501 2HG LYS 62 2HG LYS 62 9.361 11.173 -3.134 502 1HD LYS 62 1HD LYS 62 11.131 9.558 -2.332 503 2HD LYS 62 2HD LYS 62 10.844 8.603 -3.834 504 1HE LYS 62 1HE LYS 62 11.631 10.595 -5.220 505 2HE LYS 62 2HE LYS 62 12.018 11.471 -3.681 506 1HZ LYS 62 1HZ LYS 62 13.099 8.867 -4.608 507 2HZ LYS 62 2HZ LYS 62 13.460 9.565 -3.099 508 3HZ LYS 62 3HZ LYS 62 13.979 10.300 -4.527 509 H GLY 63 H GLY 63 6.018 11.499 -4.320 510 1HA GLY 63 1HA GLY 63 5.755 13.031 -1.811 511 2HA GLY 63 2HA GLY 63 6.577 13.701 -3.271 512 H LYS 64 H LYS 64 4.640 12.290 -5.095 513 HA LYS 64 HA LYS 64 2.903 14.562 -5.081 514 1HB LYS 64 1HB LYS 64 4.321 13.330 -6.984 515 2HB LYS 64 2HB LYS 64 2.981 12.142 -6.998 516 1HG LYS 64 1HG LYS 64 1.409 14.098 -7.433 517 2HG LYS 64 2HG LYS 64 2.878 15.147 -7.547 518 1HD LYS 64 1HD LYS 64 3.731 13.732 -9.457 519 2HD LYS 64 2HD LYS 64 2.350 12.625 -9.251 520 1HE LYS 64 1HE LYS 64 1.882 13.959 -11.194 521 2HE LYS 64 2HE LYS 64 0.756 14.500 -9.893 522 1HZ LYS 64 1HZ LYS 64 1.762 16.299 -11.151 523 2HZ LYS 64 2HZ LYS 64 3.316 15.873 -10.620 524 3HZ LYS 64 3HZ LYS 64 2.147 16.434 -9.538 525 H SER 65 H SER 65 2.575 11.205 -4.241 526 HA SER 65 HA SER 65 0.055 11.086 -5.525 527 1HB SER 65 1HB SER 65 1.895 9.404 -5.569 528 2HB SER 65 2HB SER 65 1.371 8.885 -3.925 529 HG SER 65 HG SER 65 0.263 7.649 -5.405 530 H GLN 66 H GLN 66 0.208 12.470 -2.486 531 HA GLN 66 HA GLN 66 -1.941 11.035 -1.392 532 1HB GLN 66 1HB GLN 66 -0.211 13.179 -0.784 533 2HB GLN 66 2HB GLN 66 -1.812 13.937 -0.744 534 1HG GLN 66 1HG GLN 66 -1.202 11.212 0.522 535 2HG GLN 66 2HG GLN 66 -0.897 12.746 1.468 536 1HE2 GLN 66 1HE2 GLN 66 -2.753 10.342 1.730 537 2HE2 GLN 66 2HE2 GLN 66 -4.367 10.992 1.876 538 H GLU 67 H GLU 67 -1.706 12.864 -4.107 539 HA GLU 67 HA GLU 67 -4.536 13.537 -4.295 540 1HB GLU 67 1HB GLU 67 -2.132 14.100 -6.127 541 2HB GLU 67 2HB GLU 67 -3.824 14.615 -6.443 542 1HG GLU 67 1HG GLU 67 -3.762 15.825 -4.143 543 2HG GLU 67 2HG GLU 67 -1.992 15.511 -4.123 544 H ASP 68 H ASP 68 -2.134 11.298 -5.720 545 HA ASP 68 HA ASP 68 -4.193 10.374 -7.539 546 1HB ASP 68 1HB ASP 68 -1.662 11.001 -8.125 547 2HB ASP 68 2HB ASP 68 -1.313 9.340 -7.528 548 H ALA 69 H ALA 69 -2.007 8.876 -5.088 549 HA ALA 69 HA ALA 69 -2.721 6.412 -5.077 550 1HB ALA 69 1HB ALA 69 -1.159 7.262 -3.543 551 2HB ALA 69 2HB ALA 69 -2.385 6.275 -2.660 552 3HB ALA 69 3HB ALA 69 -2.434 8.084 -2.579 553 H GLU 70 H GLU 70 -4.572 8.706 -2.934 554 HA GLU 70 HA GLU 70 -6.729 7.260 -2.298 555 1HB GLU 70 1HB GLU 70 -7.999 9.247 -2.137 556 2HB GLU 70 2HB GLU 70 -6.386 9.334 -1.397 557 1HG GLU 70 1HG GLU 70 -5.532 10.866 -2.910 558 2HG GLU 70 2HG GLU 70 -6.549 10.293 -4.268 559 H LYS 71 H LYS 71 -6.335 8.471 -5.650 560 HA LYS 71 HA LYS 71 -9.124 7.922 -6.246 561 1HB LYS 71 1HB LYS 71 -6.964 8.809 -8.218 562 2HB LYS 71 2HB LYS 71 -8.734 8.971 -8.369 563 1HG LYS 71 1HG LYS 71 -6.835 10.507 -6.518 564 2HG LYS 71 2HG LYS 71 -7.519 11.079 -8.070 565 1HD LYS 71 1HD LYS 71 -9.864 10.713 -6.901 566 2HD LYS 71 2HD LYS 71 -8.924 10.725 -5.378 567 1HE LYS 71 1HE LYS 71 -9.085 12.932 -7.540 568 2HE LYS 71 2HE LYS 71 -9.777 13.014 -5.874 569 1HZ LYS 71 1HZ LYS 71 -7.645 14.226 -6.204 570 2HZ LYS 71 2HZ LYS 71 -6.852 12.775 -6.465 571 3HZ LYS 71 3HZ LYS 71 -7.559 13.069 -4.982 572 H GLU 72 H GLU 72 -5.838 6.827 -7.109 573 HA GLU 72 HA GLU 72 -6.851 4.872 -8.923 574 1HB GLU 72 1HB GLU 72 -4.151 5.405 -7.632 575 2HB GLU 72 2HB GLU 72 -4.405 4.062 -8.801 576 1HG GLU 72 1HG GLU 72 -4.754 7.078 -9.358 577 2HG GLU 72 2HG GLU 72 -3.355 6.061 -9.820 578 H TYR 73 H TYR 73 -6.284 4.949 -5.463 579 HA TYR 73 HA TYR 73 -5.940 2.274 -5.067 580 1HB TYR 73 1HB TYR 73 -5.645 4.225 -3.367 581 2HB TYR 73 2HB TYR 73 -7.403 4.119 -3.044 582 HD1 TYR 73 HD1 TYR 73 -4.284 2.274 -3.354 583 HD2 TYR 73 HD2 TYR 73 -8.069 2.358 -1.454 584 HE1 TYR 73 HE1 TYR 73 -3.538 0.465 -1.869 585 HE2 TYR 73 HE2 TYR 73 -7.383 0.476 -0.027 586 HH TYR 73 HH TYR 73 -4.089 -0.943 -0.381 587 H ILE 74 H ILE 74 -9.023 4.112 -4.474 588 HA ILE 74 HA ILE 74 -10.711 2.176 -4.065 589 HB ILE 74 HB ILE 74 -11.209 4.412 -3.956 590 1HG1 ILE 74 1HG1 ILE 74 -13.128 2.777 -4.406 591 2HG1 ILE 74 2HG1 ILE 74 -13.418 4.521 -4.639 592 1HG2 ILE 74 1HG2 ILE 74 -11.671 5.890 -5.890 593 2HG2 ILE 74 2HG2 ILE 74 -10.965 4.665 -6.995 594 3HG2 ILE 74 3HG2 ILE 74 -9.952 5.430 -5.702 595 1HD1 ILE 74 1HD1 ILE 74 -14.580 3.294 -6.373 596 2HD1 ILE 74 2HD1 ILE 74 -13.077 2.510 -6.943 597 3HD1 ILE 74 3HD1 ILE 74 -13.291 4.293 -7.112 598 H ALA 75 H ALA 75 -9.683 2.969 -7.401 599 HA ALA 75 HA ALA 75 -11.453 1.075 -8.501 600 1HB ALA 75 1HB ALA 75 -10.149 1.540 -10.624 601 2HB ALA 75 2HB ALA 75 -8.877 2.369 -9.649 602 3HB ALA 75 3HB ALA 75 -10.534 3.065 -9.763 603 H LEU 76 H LEU 76 -7.983 0.819 -7.767 604 HA LEU 76 HA LEU 76 -7.623 -1.774 -8.768 605 1HB LEU 76 1HB LEU 76 -6.346 -0.093 -6.569 606 2HB LEU 76 2HB LEU 76 -5.878 -1.809 -6.670 607 HG LEU 76 HG LEU 76 -5.685 0.014 -9.103 608 1HD1 LEU 76 1HD1 LEU 76 -3.294 0.364 -8.495 609 2HD1 LEU 76 2HD1 LEU 76 -3.524 -0.597 -6.984 610 3HD1 LEU 76 3HD1 LEU 76 -4.379 0.983 -7.185 611 1HD2 LEU 76 1HD2 LEU 76 -5.621 -2.452 -9.549 612 2HD2 LEU 76 2HD2 LEU 76 -4.346 -2.655 -8.291 613 3HD2 LEU 76 3HD2 LEU 76 -3.988 -1.729 -9.799 614 H VAL 77 H VAL 77 -8.428 -0.651 -5.469 615 HA VAL 77 HA VAL 77 -8.511 -3.292 -4.394 616 HB VAL 77 HB VAL 77 -8.935 -0.549 -3.304 617 1HG1 VAL 77 1HG1 VAL 77 -8.763 -1.988 -1.103 618 2HG1 VAL 77 2HG1 VAL 77 -9.213 -3.392 -2.150 619 3HG1 VAL 77 3HG1 VAL 77 -10.365 -2.025 -1.962 620 1HG2 VAL 77 1HG2 VAL 77 -6.584 -1.260 -3.984 621 2HG2 VAL 77 2HG2 VAL 77 -6.840 -2.839 -3.159 622 3HG2 VAL 77 3HG2 VAL 77 -6.748 -1.340 -2.187 623 H ASP 78 H ASP 78 -11.044 -1.235 -5.959 624 HA ASP 78 HA ASP 78 -13.068 -2.751 -4.808 625 1HB ASP 78 1HB ASP 78 -13.046 -0.585 -6.507 626 2HB ASP 78 2HB ASP 78 -13.397 -1.879 -7.700 627 H GLN 79 H GLN 79 -11.240 -3.110 -7.813 628 HA GLN 79 HA GLN 79 -12.545 -5.444 -8.711 629 1HB GLN 79 1HB GLN 79 -9.899 -4.079 -9.400 630 2HB GLN 79 2HB GLN 79 -10.595 -5.427 -10.355 631 1HG GLN 79 1HG GLN 79 -12.487 -4.114 -11.068 632 2HG GLN 79 2HG GLN 79 -12.174 -2.838 -9.848 633 1HE2 GLN 79 1HE2 GLN 79 -11.900 -1.089 -11.124 634 2HE2 GLN 79 2HE2 GLN 79 -10.631 -0.901 -12.299 635 H LEU 80 H LEU 80 -9.837 -4.810 -6.629 636 HA LEU 80 HA LEU 80 -8.828 -7.538 -6.506 637 1HB LEU 80 1HB LEU 80 -7.876 -4.877 -5.717 638 2HB LEU 80 2HB LEU 80 -7.367 -6.303 -4.777 639 HG LEU 80 HG LEU 80 -6.717 -7.497 -6.786 640 1HD1 LEU 80 1HD1 LEU 80 -6.463 -6.383 -9.033 641 2HD1 LEU 80 2HD1 LEU 80 -7.451 -5.005 -8.445 642 3HD1 LEU 80 3HD1 LEU 80 -8.184 -6.649 -8.595 643 1HD2 LEU 80 1HD2 LEU 80 -4.974 -6.016 -5.732 644 2HD2 LEU 80 2HD2 LEU 80 -5.488 -4.677 -6.859 645 3HD2 LEU 80 3HD2 LEU 80 -4.737 -6.175 -7.513 646 H ILE 81 H ILE 81 -10.760 -5.477 -4.284 647 HA ILE 81 HA ILE 81 -11.057 -7.615 -2.504 648 HB ILE 81 HB ILE 81 -12.601 -5.161 -3.080 649 1HG1 ILE 81 1HG1 ILE 81 -11.039 -6.200 -0.624 650 2HG1 ILE 81 2HG1 ILE 81 -10.374 -5.114 -1.882 651 1HG2 ILE 81 1HG2 ILE 81 -13.356 -7.226 -0.898 652 2HG2 ILE 81 2HG2 ILE 81 -14.388 -6.742 -2.303 653 3HG2 ILE 81 3HG2 ILE 81 -14.030 -5.568 -1.019 654 1HD1 ILE 81 1HD1 ILE 81 -12.150 -3.390 -1.251 655 2HD1 ILE 81 2HD1 ILE 81 -10.969 -3.754 0.065 656 3HD1 ILE 81 3HD1 ILE 81 -12.619 -4.450 0.137 657 H ALA 82 H ALA 82 -12.865 -6.840 -5.473 658 HA ALA 82 HA ALA 82 -14.854 -8.704 -5.186 659 1HB ALA 82 1HB ALA 82 -13.317 -8.028 -7.751 660 2HB ALA 82 2HB ALA 82 -14.675 -7.069 -7.062 661 3HB ALA 82 3HB ALA 82 -14.969 -8.741 -7.656 662 H LYS 83 H LYS 83 -11.459 -9.385 -5.722 663 HA LYS 83 HA LYS 83 -12.013 -12.225 -5.998 664 1HB LYS 83 1HB LYS 83 -10.255 -11.202 -7.434 665 2HB LYS 83 2HB LYS 83 -9.350 -10.703 -5.969 666 1HG LYS 83 1HG LYS 83 -8.987 -13.050 -5.352 667 2HG LYS 83 2HG LYS 83 -10.042 -13.608 -6.691 668 1HD LYS 83 1HD LYS 83 -8.527 -12.622 -8.370 669 2HD LYS 83 2HD LYS 83 -7.486 -11.927 -7.083 670 1HE LYS 83 1HE LYS 83 -6.881 -14.176 -6.276 671 2HE LYS 83 2HE LYS 83 -8.015 -14.943 -7.476 672 1HZ LYS 83 1HZ LYS 83 -5.635 -14.898 -8.199 673 2HZ LYS 83 2HZ LYS 83 -5.694 -13.218 -8.227 674 3HZ LYS 83 3HZ LYS 83 -6.689 -14.093 -9.257 675 H TYR 84 H TYR 84 -10.569 -9.839 -3.744 676 HA TYR 84 HA TYR 84 -9.557 -11.968 -2.146 677 1HB TYR 84 1HB TYR 84 -9.315 -8.932 -1.868 678 2HB TYR 84 2HB TYR 84 -8.381 -10.160 -0.956 679 HD1 TYR 84 HD1 TYR 84 -7.781 -7.825 -3.140 680 HD2 TYR 84 HD2 TYR 84 -7.581 -12.066 -3.072 681 HE1 TYR 84 HE1 TYR 84 -5.849 -7.745 -4.601 682 HE2 TYR 84 HE2 TYR 84 -5.670 -11.992 -4.594 683 HH TYR 84 HH TYR 84 -4.601 -9.483 -6.299 684 H SER 85 H SER 85 -12.420 -10.115 -1.926 685 HA SER 85 HA SER 85 -12.868 -9.659 0.623 686 1HB SER 85 1HB SER 85 -14.422 -9.295 -1.328 687 2HB SER 85 2HB SER 85 -14.945 -10.999 -1.177 688 HG SER 85 HG SER 85 -16.216 -9.373 -0.132 689 H SER 86 H SER 86 -13.297 -12.936 -0.763 690 HA SER 86 HA SER 86 -12.980 -14.131 1.782 691 1HB SER 86 1HB SER 86 -15.761 -14.089 0.481 692 2HB SER 86 2HB SER 86 -15.265 -15.333 1.682 693 HG SER 86 HG SER 86 -14.842 -12.649 2.274 Start of MODEL 20 1 1H VAL 1 1H VAL 1 -11.886 10.149 -2.836 2 2H VAL 1 2H VAL 1 -11.070 8.699 -2.809 3 3H VAL 1 3H VAL 1 -10.306 10.161 -2.357 4 HA VAL 1 HA VAL 1 -11.796 10.323 -0.473 5 HB VAL 1 HB VAL 1 -12.791 7.551 -1.183 6 1HG1 VAL 1 1HG1 VAL 1 -12.884 8.295 1.290 7 2HG1 VAL 1 2HG1 VAL 1 -14.506 8.104 0.534 8 3HG1 VAL 1 3HG1 VAL 1 -13.807 9.743 0.746 9 1HG2 VAL 1 1HG2 VAL 1 -14.097 10.298 -1.723 10 2HG2 VAL 1 2HG2 VAL 1 -14.945 8.719 -1.752 11 3HG2 VAL 1 3HG2 VAL 1 -13.662 9.034 -2.949 12 H SER 2 H SER 2 -9.947 10.341 0.804 13 HA SER 2 HA SER 2 -8.228 8.240 1.220 14 1HB SER 2 1HB SER 2 -7.442 9.682 3.109 15 2HB SER 2 2HB SER 2 -7.597 10.559 1.539 16 HG SER 2 HG SER 2 -8.471 11.745 3.227 17 H GLN 3 H GLN 3 -11.170 9.207 2.888 18 HA GLN 3 HA GLN 3 -10.860 7.515 5.045 19 1HB GLN 3 1HB GLN 3 -13.409 8.443 3.629 20 2HB GLN 3 2HB GLN 3 -13.440 7.543 5.171 21 1HG GLN 3 1HG GLN 3 -12.038 10.265 4.760 22 2HG GLN 3 2HG GLN 3 -13.657 10.020 5.498 23 1HE2 GLN 3 1HE2 GLN 3 -13.727 8.573 7.472 24 2HE2 GLN 3 2HE2 GLN 3 -12.339 8.573 8.539 25 H LEU 4 H LEU 4 -12.339 6.788 1.900 26 HA LEU 4 HA LEU 4 -13.302 4.242 2.386 27 1HB LEU 4 1HB LEU 4 -13.793 5.628 0.305 28 2HB LEU 4 2HB LEU 4 -12.059 5.490 -0.168 29 HG LEU 4 HG LEU 4 -12.199 3.106 -0.395 30 1HD1 LEU 4 1HD1 LEU 4 -14.104 2.521 1.167 31 2HD1 LEU 4 2HD1 LEU 4 -14.476 1.962 -0.506 32 3HD1 LEU 4 3HD1 LEU 4 -15.242 3.463 0.131 33 1HD2 LEU 4 1HD2 LEU 4 -14.394 4.605 -1.976 34 2HD2 LEU 4 2HD2 LEU 4 -13.461 3.157 -2.517 35 3HD2 LEU 4 3HD2 LEU 4 -12.619 4.737 -2.275 36 H PHE 5 H PHE 5 -10.318 5.458 1.016 37 HA PHE 5 HA PHE 5 -8.891 3.266 0.487 38 1HB PHE 5 1HB PHE 5 -8.111 5.364 -0.265 39 2HB PHE 5 2HB PHE 5 -8.385 6.125 1.330 40 HD1 PHE 5 HD1 PHE 5 -5.985 4.330 -0.727 41 HD2 PHE 5 HD2 PHE 5 -6.829 5.881 3.138 42 HE1 PHE 5 HE1 PHE 5 -3.716 3.818 -0.039 43 HE2 PHE 5 HE2 PHE 5 -4.533 5.382 3.850 44 HZ PHE 5 HZ PHE 5 -3.010 4.266 2.318 45 H GLU 6 H GLU 6 -9.363 4.702 3.676 46 HA GLU 6 HA GLU 6 -7.452 2.853 4.835 47 1HB GLU 6 1HB GLU 6 -9.087 5.115 5.983 48 2HB GLU 6 2HB GLU 6 -8.450 3.839 7.070 49 1HG GLU 6 1HG GLU 6 -6.155 4.152 6.038 50 2HG GLU 6 2HG GLU 6 -6.770 5.630 5.223 51 H GLU 7 H GLU 7 -10.971 2.978 4.559 52 HA GLU 7 HA GLU 7 -11.508 0.898 6.365 53 1HB GLU 7 1HB GLU 7 -12.910 1.327 3.675 54 2HB GLU 7 2HB GLU 7 -13.588 0.521 5.111 55 1HG GLU 7 1HG GLU 7 -12.747 3.465 5.242 56 2HG GLU 7 2HG GLU 7 -14.161 2.997 4.244 57 H LYS 8 H LYS 8 -10.913 0.949 2.911 58 HA LYS 8 HA LYS 8 -11.093 -1.914 2.755 59 1HB LYS 8 1HB LYS 8 -10.612 0.112 0.543 60 2HB LYS 8 2HB LYS 8 -11.157 -1.599 0.365 61 1HG LYS 8 1HG LYS 8 -12.719 0.723 1.608 62 2HG LYS 8 2HG LYS 8 -12.993 -0.032 0.019 63 1HD LYS 8 1HD LYS 8 -13.687 -2.141 1.051 64 2HD LYS 8 2HD LYS 8 -13.245 -1.544 2.687 65 1HE LYS 8 1HE LYS 8 -15.015 0.182 2.622 66 2HE LYS 8 2HE LYS 8 -15.467 -0.310 0.941 67 1HZ LYS 8 1HZ LYS 8 -16.882 -1.299 2.660 68 2HZ LYS 8 2HZ LYS 8 -15.545 -2.143 3.300 69 3HZ LYS 8 3HZ LYS 8 -16.088 -2.433 1.722 70 H ALA 9 H ALA 9 -8.327 0.352 2.815 71 HA ALA 9 HA ALA 9 -6.570 -1.400 1.610 72 1HB ALA 9 1HB ALA 9 -5.928 0.977 2.094 73 2HB ALA 9 2HB ALA 9 -4.804 -0.153 2.902 74 3HB ALA 9 3HB ALA 9 -6.097 0.686 3.856 75 H LYS 10 H LYS 10 -7.407 -0.840 4.974 76 HA LYS 10 HA LYS 10 -5.798 -2.786 6.188 77 1HB LYS 10 1HB LYS 10 -8.238 -1.090 6.708 78 2HB LYS 10 2HB LYS 10 -7.771 -2.298 7.968 79 1HG LYS 10 1HG LYS 10 -5.857 -0.107 6.890 80 2HG LYS 10 2HG LYS 10 -6.926 0.099 8.301 81 1HD LYS 10 1HD LYS 10 -5.868 -1.922 9.379 82 2HD LYS 10 2HD LYS 10 -4.683 -1.986 8.032 83 1HE LYS 10 1HE LYS 10 -3.893 0.338 8.626 84 2HE LYS 10 2HE LYS 10 -5.104 0.394 9.969 85 1HZ LYS 10 1HZ LYS 10 -2.832 -1.520 9.699 86 2HZ LYS 10 2HZ LYS 10 -3.996 -1.595 10.899 87 3HZ LYS 10 3HZ LYS 10 -2.976 -0.239 10.801 88 H ALA 11 H ALA 11 -8.819 -3.077 4.432 89 HA ALA 11 HA ALA 11 -9.412 -5.681 5.445 90 1HB ALA 11 1HB ALA 11 -10.334 -4.313 2.842 91 2HB ALA 11 2HB ALA 11 -11.177 -4.198 4.431 92 3HB ALA 11 3HB ALA 11 -11.036 -5.784 3.592 93 H VAL 12 H VAL 12 -7.944 -4.438 2.302 94 HA VAL 12 HA VAL 12 -7.641 -7.014 1.418 95 HB VAL 12 HB VAL 12 -6.337 -6.076 -0.425 96 1HG1 VAL 12 1HG1 VAL 12 -8.800 -6.265 -0.362 97 2HG1 VAL 12 2HG1 VAL 12 -8.215 -4.864 -1.336 98 3HG1 VAL 12 3HG1 VAL 12 -8.920 -4.590 0.301 99 1HG2 VAL 12 1HG2 VAL 12 -6.154 -3.550 -0.552 100 2HG2 VAL 12 2HG2 VAL 12 -5.109 -4.193 0.760 101 3HG2 VAL 12 3HG2 VAL 12 -6.685 -3.415 1.135 102 H ASN 13 H ASN 13 -5.531 -5.146 3.441 103 HA ASN 13 HA ASN 13 -3.278 -6.841 2.936 104 1HB ASN 13 1HB ASN 13 -3.933 -4.764 5.083 105 2HB ASN 13 2HB ASN 13 -2.473 -5.800 5.217 106 1HD2 ASN 13 1HD2 ASN 13 -4.010 -3.279 3.153 107 2HD2 ASN 13 2HD2 ASN 13 -2.496 -2.805 2.421 108 H GLU 14 H GLU 14 -6.124 -7.390 4.719 109 HA GLU 14 HA GLU 14 -4.812 -9.556 6.208 110 1HB GLU 14 1HB GLU 14 -6.301 -7.205 7.177 111 2HB GLU 14 2HB GLU 14 -6.990 -8.706 7.810 112 1HG GLU 14 1HG GLU 14 -4.001 -7.989 8.051 113 2HG GLU 14 2HG GLU 14 -5.262 -7.649 9.286 114 H LEU 15 H LEU 15 -6.816 -9.120 3.707 115 HA LEU 15 HA LEU 15 -9.086 -10.484 4.497 116 1HB LEU 15 1HB LEU 15 -8.057 -9.014 2.331 117 2HB LEU 15 2HB LEU 15 -8.309 -10.608 1.608 118 HG LEU 15 HG LEU 15 -10.711 -10.475 1.996 119 1HD1 LEU 15 1HD1 LEU 15 -10.902 -9.439 4.238 120 2HD1 LEU 15 2HD1 LEU 15 -11.804 -8.468 3.027 121 3HD1 LEU 15 3HD1 LEU 15 -10.197 -7.901 3.611 122 1HD2 LEU 15 1HD2 LEU 15 -9.718 -7.733 1.040 123 2HD2 LEU 15 2HD2 LEU 15 -11.241 -8.586 0.564 124 3HD2 LEU 15 3HD2 LEU 15 -9.639 -9.264 0.088 125 HA PRO 16 HA PRO 16 -7.684 -14.475 4.631 126 1HB PRO 16 1HB PRO 16 -9.805 -16.072 3.938 127 2HB PRO 16 2HB PRO 16 -9.939 -14.883 5.300 128 1HG PRO 16 1HG PRO 16 -10.901 -14.504 2.399 129 2HG PRO 16 2HG PRO 16 -11.820 -14.185 3.931 130 1HD PRO 16 1HD PRO 16 -10.291 -12.329 2.435 131 2HD PRO 16 2HD PRO 16 -10.651 -12.094 4.220 132 H THR 17 H THR 17 -8.675 -13.352 1.553 133 HA THR 17 HA THR 17 -7.090 -15.379 0.128 134 HB THR 17 HB THR 17 -9.128 -13.350 -0.860 135 HG1 THR 17 HG1 THR 17 -10.396 -15.114 -1.233 136 1HG2 THR 17 1HG2 THR 17 -7.883 -15.771 -2.372 137 2HG2 THR 17 2HG2 THR 17 -7.290 -14.074 -2.540 138 3HG2 THR 17 3HG2 THR 17 -8.962 -14.475 -3.031 139 H LYS 18 H LYS 18 -5.382 -14.260 1.266 140 HA LYS 18 HA LYS 18 -4.877 -11.654 1.180 141 1HB LYS 18 1HB LYS 18 -2.884 -13.963 1.211 142 2HB LYS 18 2HB LYS 18 -2.425 -12.269 1.558 143 1HG LYS 18 1HG LYS 18 -4.131 -12.180 3.386 144 2HG LYS 18 2HG LYS 18 -4.478 -13.916 3.155 145 1HD LYS 18 1HD LYS 18 -2.136 -14.496 3.754 146 2HD LYS 18 2HD LYS 18 -1.713 -12.752 3.819 147 1HE LYS 18 1HE LYS 18 -3.365 -12.429 5.702 148 2HE LYS 18 2HE LYS 18 -3.698 -14.204 5.703 149 1HZ LYS 18 1HZ LYS 18 -2.016 -13.402 7.349 150 2HZ LYS 18 2HZ LYS 18 -0.974 -13.049 6.055 151 3HZ LYS 18 3HZ LYS 18 -1.443 -14.621 6.315 152 HA PRO 19 HA PRO 19 -4.204 -10.310 -2.631 153 1HB PRO 19 1HB PRO 19 -1.636 -8.892 -1.818 154 2HB PRO 19 2HB PRO 19 -3.042 -8.239 -2.760 155 1HG PRO 19 1HG PRO 19 -2.822 -7.714 -0.050 156 2HG PRO 19 2HG PRO 19 -4.425 -8.234 -0.710 157 1HD PRO 19 1HD PRO 19 -2.286 -9.969 0.649 158 2HD PRO 19 2HD PRO 19 -4.087 -9.877 0.936 159 H SER 20 H SER 20 -3.236 -10.707 -4.751 160 HA SER 20 HA SER 20 -1.109 -12.623 -4.781 161 1HB SER 20 1HB SER 20 -3.141 -12.714 -6.278 162 2HB SER 20 2HB SER 20 -2.522 -11.273 -7.131 163 HG SER 20 HG SER 20 -1.524 -12.710 -8.249 164 H THR 21 H THR 21 0.739 -12.364 -6.354 165 HA THR 21 HA THR 21 2.438 -10.810 -5.126 166 HB THR 21 HB THR 21 2.775 -11.710 -8.002 167 HG1 THR 21 HG1 THR 21 3.448 -13.578 -7.064 168 1HG2 THR 21 1HG2 THR 21 4.690 -10.273 -7.115 169 2HG2 THR 21 2HG2 THR 21 5.171 -11.998 -7.231 170 3HG2 THR 21 3HG2 THR 21 4.744 -11.301 -5.633 171 H ASP 22 H ASP 22 1.374 -9.891 -8.483 172 HA ASP 22 HA ASP 22 2.895 -7.508 -8.298 173 1HB ASP 22 1HB ASP 22 2.117 -7.189 -10.624 174 2HB ASP 22 2HB ASP 22 2.860 -8.799 -10.353 175 H GLU 23 H GLU 23 -0.119 -8.385 -7.250 176 HA GLU 23 HA GLU 23 -1.430 -5.826 -7.679 177 1HB GLU 23 1HB GLU 23 -2.316 -8.489 -6.463 178 2HB GLU 23 2HB GLU 23 -3.373 -7.046 -6.594 179 1HG GLU 23 1HG GLU 23 -3.374 -7.096 -8.994 180 2HG GLU 23 2HG GLU 23 -1.975 -8.214 -9.076 181 H LEU 24 H LEU 24 -0.257 -7.932 -4.996 182 HA LEU 24 HA LEU 24 -0.662 -6.394 -2.843 183 1HB LEU 24 1HB LEU 24 0.052 -8.764 -3.207 184 2HB LEU 24 2HB LEU 24 1.684 -8.214 -3.649 185 HG LEU 24 HG LEU 24 0.424 -7.599 -0.904 186 1HD1 LEU 24 1HD1 LEU 24 0.183 -10.030 -1.364 187 2HD1 LEU 24 2HD1 LEU 24 1.470 -9.764 -0.120 188 3HD1 LEU 24 3HD1 LEU 24 1.911 -10.135 -1.839 189 1HD2 LEU 24 1HD2 LEU 24 3.321 -7.974 -1.923 190 2HD2 LEU 24 2HD2 LEU 24 2.863 -7.758 -0.185 191 3HD2 LEU 24 3HD2 LEU 24 2.585 -6.417 -1.363 192 H LEU 25 H LEU 25 1.999 -6.133 -5.222 193 HA LEU 25 HA LEU 25 3.379 -4.221 -3.661 194 1HB LEU 25 1HB LEU 25 5.062 -4.418 -5.133 195 2HB LEU 25 2HB LEU 25 4.179 -5.941 -5.421 196 HG LEU 25 HG LEU 25 3.046 -4.670 -7.422 197 1HD1 LEU 25 1HD1 LEU 25 5.552 -2.921 -6.915 198 2HD1 LEU 25 2HD1 LEU 25 3.859 -2.337 -6.962 199 3HD1 LEU 25 3HD1 LEU 25 4.623 -2.958 -8.464 200 1HD2 LEU 25 1HD2 LEU 25 6.039 -5.397 -7.460 201 2HD2 LEU 25 2HD2 LEU 25 4.909 -5.395 -8.871 202 3HD2 LEU 25 3HD2 LEU 25 4.676 -6.578 -7.521 203 H GLU 26 H GLU 26 1.089 -3.948 -6.385 204 HA GLU 26 HA GLU 26 1.311 -1.157 -6.597 205 1HB GLU 26 1HB GLU 26 0.478 -2.795 -8.293 206 2HB GLU 26 2HB GLU 26 -1.023 -3.001 -7.352 207 1HG GLU 26 1HG GLU 26 -1.625 -0.613 -7.738 208 2HG GLU 26 2HG GLU 26 -0.010 -0.297 -8.465 209 H LEU 27 H LEU 27 -0.853 -3.302 -4.777 210 HA LEU 27 HA LEU 27 -2.309 -1.412 -3.396 211 1HB LEU 27 1HB LEU 27 -1.295 -4.218 -2.819 212 2HB LEU 27 2HB LEU 27 -2.189 -3.326 -1.537 213 HG LEU 27 HG LEU 27 -3.443 -3.887 -4.288 214 1HD1 LEU 27 1HD1 LEU 27 -3.443 -5.449 -1.619 215 2HD1 LEU 27 2HD1 LEU 27 -2.824 -6.012 -3.219 216 3HD1 LEU 27 3HD1 LEU 27 -4.593 -5.753 -2.975 217 1HD2 LEU 27 1HD2 LEU 27 -5.503 -3.512 -2.882 218 2HD2 LEU 27 2HD2 LEU 27 -4.510 -2.028 -3.167 219 3HD2 LEU 27 3HD2 LEU 27 -4.441 -2.878 -1.566 220 H TYR 28 H TYR 28 0.877 -2.835 -2.448 221 HA TYR 28 HA TYR 28 1.185 -1.380 -0.130 222 1HB TYR 28 1HB TYR 28 2.644 -3.219 -0.524 223 2HB TYR 28 2HB TYR 28 3.197 -2.542 -2.089 224 HD1 TYR 28 HD1 TYR 28 3.829 -2.670 1.477 225 HD2 TYR 28 HD2 TYR 28 4.632 -0.530 -2.110 226 HE1 TYR 28 HE1 TYR 28 5.917 -1.861 2.415 227 HE2 TYR 28 HE2 TYR 28 6.588 0.444 -1.123 228 HH TYR 28 HH TYR 28 8.015 -0.933 1.743 229 H ALA 29 H ALA 29 2.376 -0.428 -3.442 230 HA ALA 29 HA ALA 29 3.540 1.882 -2.639 231 1HB ALA 29 1HB ALA 29 2.105 1.239 -5.287 232 2HB ALA 29 2HB ALA 29 3.807 0.812 -4.886 233 3HB ALA 29 3HB ALA 29 3.334 2.540 -5.039 234 H LEU 30 H LEU 30 0.147 1.531 -3.807 235 HA LEU 30 HA LEU 30 -0.409 4.245 -3.291 236 1HB LEU 30 1HB LEU 30 -2.122 1.792 -3.843 237 2HB LEU 30 2HB LEU 30 -2.862 3.350 -3.344 238 HG LEU 30 HG LEU 30 -1.343 4.409 -5.248 239 1HD1 LEU 30 1HD1 LEU 30 -0.221 2.287 -6.056 240 2HD1 LEU 30 2HD1 LEU 30 -1.422 2.850 -7.299 241 3HD1 LEU 30 3HD1 LEU 30 -1.848 1.506 -6.171 242 1HD2 LEU 30 1HD2 LEU 30 -3.746 4.489 -4.884 243 2HD2 LEU 30 2HD2 LEU 30 -3.967 2.913 -5.762 244 3HD2 LEU 30 3HD2 LEU 30 -3.295 4.361 -6.649 245 H TYR 31 H TYR 31 -0.922 1.317 -1.295 246 HA TYR 31 HA TYR 31 -2.401 2.447 0.715 247 1HB TYR 31 1HB TYR 31 -2.141 0.087 0.662 248 2HB TYR 31 2HB TYR 31 -0.368 0.225 0.948 249 HD1 TYR 31 HD1 TYR 31 0.292 -0.040 3.087 250 HD2 TYR 31 HD2 TYR 31 -3.517 1.716 2.450 251 HE1 TYR 31 HE1 TYR 31 -0.006 0.214 5.496 252 HE2 TYR 31 HE2 TYR 31 -3.905 1.807 4.831 253 HH TYR 31 HH TYR 31 -2.861 1.780 6.864 254 H LYS 32 H LYS 32 1.182 2.000 0.534 255 HA LYS 32 HA LYS 32 1.797 3.579 2.726 256 1HB LYS 32 1HB LYS 32 3.456 2.770 0.288 257 2HB LYS 32 2HB LYS 32 4.140 3.515 1.753 258 1HG LYS 32 1HG LYS 32 2.794 0.764 1.532 259 2HG LYS 32 2HG LYS 32 4.511 1.151 1.793 260 1HD LYS 32 1HD LYS 32 2.174 1.547 3.751 261 2HD LYS 32 2HD LYS 32 3.541 0.397 3.854 262 1HE LYS 32 1HE LYS 32 5.126 2.399 3.998 263 2HE LYS 32 2HE LYS 32 3.668 3.483 4.105 264 1HZ LYS 32 1HZ LYS 32 4.570 1.396 6.009 265 2HZ LYS 32 2HZ LYS 32 3.020 1.999 6.088 266 3HZ LYS 32 3HZ LYS 32 4.301 3.047 6.308 267 H GLN 33 H GLN 33 1.278 4.576 -0.670 268 HA GLN 33 HA GLN 33 2.304 7.125 -0.421 269 1HB GLN 33 1HB GLN 33 0.237 5.775 -2.123 270 2HB GLN 33 2HB GLN 33 0.186 7.558 -2.108 271 1HG GLN 33 1HG GLN 33 2.058 7.898 -3.233 272 2HG GLN 33 2HG GLN 33 2.906 6.422 -2.609 273 1HE2 GLN 33 1HE2 GLN 33 -0.062 7.188 -4.550 274 2HE2 GLN 33 2HE2 GLN 33 0.223 5.939 -5.746 275 H ALA 34 H ALA 34 -1.124 6.109 0.125 276 HA ALA 34 HA ALA 34 -1.562 8.819 1.129 277 1HB ALA 34 1HB ALA 34 -3.306 8.175 -0.288 278 2HB ALA 34 2HB ALA 34 -3.986 8.086 1.367 279 3HB ALA 34 3HB ALA 34 -3.484 6.576 0.502 280 H THR 35 H THR 35 -0.795 5.716 2.554 281 HA THR 35 HA THR 35 -1.796 6.264 5.038 282 HB THR 35 HB THR 35 0.516 4.513 4.263 283 HG1 THR 35 HG1 THR 35 -1.375 3.762 3.560 284 1HG2 THR 35 1HG2 THR 35 0.754 5.069 6.696 285 2HG2 THR 35 2HG2 THR 35 -0.013 3.441 6.503 286 3HG2 THR 35 3HG2 THR 35 -1.039 4.858 6.922 287 H VAL 36 H VAL 36 1.743 6.669 3.993 288 HA VAL 36 HA VAL 36 2.017 8.444 6.270 289 HB VAL 36 HB VAL 36 3.668 6.994 6.233 290 1HG1 VAL 36 1HG1 VAL 36 5.197 6.567 4.234 291 2HG1 VAL 36 2HG1 VAL 36 4.025 7.454 3.203 292 3HG1 VAL 36 3HG1 VAL 36 3.550 5.927 4.043 293 1HG2 VAL 36 1HG2 VAL 36 4.371 9.404 6.565 294 2HG2 VAL 36 2HG2 VAL 36 4.921 9.441 4.840 295 3HG2 VAL 36 3HG2 VAL 36 5.686 8.317 6.009 296 H GLY 37 H GLY 37 1.908 8.627 2.677 297 1HA GLY 37 1HA GLY 37 0.935 10.534 1.885 298 2HA GLY 37 2HA GLY 37 1.900 11.528 3.063 299 H ASP 38 H ASP 38 4.314 10.089 2.621 300 HA ASP 38 HA ASP 38 5.112 11.158 -0.005 301 1HB ASP 38 1HB ASP 38 6.497 11.407 2.759 302 2HB ASP 38 2HB ASP 38 7.112 12.119 1.221 303 H ASN 39 H ASN 39 7.354 10.093 -0.593 304 HA ASN 39 HA ASN 39 7.641 7.507 0.431 305 1HB ASN 39 1HB ASN 39 9.839 7.378 -0.447 306 2HB ASN 39 2HB ASN 39 8.750 8.159 -1.638 307 1HD2 ASN 39 1HD2 ASN 39 11.854 8.290 -0.808 308 2HD2 ASN 39 2HD2 ASN 39 12.155 9.997 -0.832 309 H ASP 40 H ASP 40 8.224 6.692 2.288 310 HA ASP 40 HA ASP 40 9.353 8.508 4.271 311 1HB ASP 40 1HB ASP 40 7.118 7.374 4.592 312 2HB ASP 40 2HB ASP 40 7.956 5.794 4.596 313 H LYS 41 H LYS 41 9.674 4.924 4.190 314 HA LYS 41 HA LYS 41 12.200 5.325 5.375 315 1HB LYS 41 1HB LYS 41 10.743 2.765 4.598 316 2HB LYS 41 2HB LYS 41 12.111 2.909 5.751 317 1HG LYS 41 1HG LYS 41 10.680 4.398 7.208 318 2HG LYS 41 2HG LYS 41 9.296 4.116 6.102 319 1HD LYS 41 1HD LYS 41 10.820 1.926 7.624 320 2HD LYS 41 2HD LYS 41 9.270 2.661 8.141 321 1HE LYS 41 1HE LYS 41 8.138 1.837 6.068 322 2HE LYS 41 2HE LYS 41 9.681 1.115 5.489 323 1HZ LYS 41 1HZ LYS 41 8.414 -0.610 6.619 324 2HZ LYS 41 2HZ LYS 41 8.235 0.353 7.998 325 3HZ LYS 41 3HZ LYS 41 9.738 -0.195 7.568 326 H GLU 42 H GLU 42 13.437 6.209 3.601 327 HA GLU 42 HA GLU 42 13.887 4.694 1.263 328 1HB GLU 42 1HB GLU 42 13.796 7.158 1.493 329 2HB GLU 42 2HB GLU 42 15.361 7.134 2.355 330 1HG GLU 42 1HG GLU 42 16.504 6.231 0.313 331 2HG GLU 42 2HG GLU 42 14.927 6.022 -0.509 332 H LYS 43 H LYS 43 14.334 3.023 3.169 333 HA LYS 43 HA LYS 43 16.932 2.017 2.594 334 1HB LYS 43 1HB LYS 43 17.526 1.717 5.097 335 2HB LYS 43 2HB LYS 43 17.895 3.254 4.278 336 1HG LYS 43 1HG LYS 43 15.975 4.396 5.299 337 2HG LYS 43 2HG LYS 43 15.361 2.846 5.928 338 1HD LYS 43 1HD LYS 43 16.324 3.470 7.825 339 2HD LYS 43 2HD LYS 43 17.811 2.787 7.128 340 1HE LYS 43 1HE LYS 43 16.951 5.781 7.081 341 2HE LYS 43 2HE LYS 43 18.076 5.026 8.270 342 1HZ LYS 43 1HZ LYS 43 19.514 5.848 6.807 343 2HZ LYS 43 2HZ LYS 43 18.547 5.627 5.420 344 3HZ LYS 43 3HZ LYS 43 19.358 4.331 6.137 345 HA PRO 44 HA PRO 44 13.902 -1.206 3.585 346 1HB PRO 44 1HB PRO 44 14.191 -2.698 1.266 347 2HB PRO 44 2HB PRO 44 13.029 -1.326 1.441 348 1HG PRO 44 1HG PRO 44 15.820 -1.211 0.191 349 2HG PRO 44 2HG PRO 44 14.250 -0.581 -0.476 350 1HD PRO 44 1HD PRO 44 16.022 1.044 0.900 351 2HD PRO 44 2HD PRO 44 14.223 1.249 1.088 352 H GLY 45 H GLY 45 14.631 -3.413 4.211 353 1HA GLY 45 1HA GLY 45 17.131 -2.965 5.342 354 2HA GLY 45 2HA GLY 45 16.051 -4.359 5.570 355 H ILE 46 H ILE 46 17.005 -6.199 5.332 356 HA ILE 46 HA ILE 46 19.502 -6.276 3.786 357 HB ILE 46 HB ILE 46 20.069 -8.058 5.585 358 1HG1 ILE 46 1HG1 ILE 46 18.151 -6.255 7.193 359 2HG1 ILE 46 2HG1 ILE 46 17.731 -7.928 6.715 360 1HG2 ILE 46 1HG2 ILE 46 21.192 -5.850 5.101 361 2HG2 ILE 46 2HG2 ILE 46 21.151 -6.254 6.851 362 3HG2 ILE 46 3HG2 ILE 46 19.998 -5.044 6.195 363 1HD1 ILE 46 1HD1 ILE 46 18.596 -7.914 9.011 364 2HD1 ILE 46 2HD1 ILE 46 20.104 -7.086 8.507 365 3HD1 ILE 46 3HD1 ILE 46 19.773 -8.767 7.952 366 H PHE 47 H PHE 47 17.401 -8.782 5.249 367 HA PHE 47 HA PHE 47 17.540 -10.395 2.899 368 1HB PHE 47 1HB PHE 47 15.762 -11.726 4.388 369 2HB PHE 47 2HB PHE 47 17.491 -11.699 4.800 370 HD1 PHE 47 HD1 PHE 47 14.490 -9.461 5.482 371 HD2 PHE 47 HD2 PHE 47 17.995 -11.399 6.924 372 HE1 PHE 47 HE1 PHE 47 14.168 -8.423 7.654 373 HE2 PHE 47 HE2 PHE 47 17.660 -10.370 9.110 374 HZ PHE 47 HZ PHE 47 15.795 -8.808 9.460 375 H ASN 48 H ASN 48 16.092 -7.613 3.317 376 HA ASN 48 HA ASN 48 13.384 -8.125 2.703 377 1HB ASN 48 1HB ASN 48 15.164 -5.649 2.982 378 2HB ASN 48 2HB ASN 48 13.406 -5.544 2.622 379 1HD2 ASN 48 1HD2 ASN 48 11.869 -6.545 4.084 380 2HD2 ASN 48 2HD2 ASN 48 12.224 -6.663 5.779 381 H MET 49 H MET 49 14.299 -9.423 0.728 382 HA MET 49 HA MET 49 15.202 -8.005 -1.505 383 1HB MET 49 1HB MET 49 15.495 -10.487 -0.897 384 2HB MET 49 2HB MET 49 13.817 -10.742 -1.437 385 1HG MET 49 1HG MET 49 15.373 -11.355 -3.225 386 2HG MET 49 2HG MET 49 14.438 -9.922 -3.723 387 1HE MET 49 1HE MET 49 18.945 -10.147 -2.566 388 2HE MET 49 2HE MET 49 17.791 -11.509 -2.733 389 3HE MET 49 3HE MET 49 17.676 -10.395 -1.325 390 H LYS 50 H LYS 50 11.936 -8.907 -0.449 391 HA LYS 50 HA LYS 50 10.740 -8.187 -2.940 392 1HB LYS 50 1HB LYS 50 9.462 -8.564 -0.186 393 2HB LYS 50 2HB LYS 50 8.616 -8.510 -1.766 394 1HG LYS 50 1HG LYS 50 9.753 -10.595 -2.474 395 2HG LYS 50 2HG LYS 50 10.660 -10.654 -0.927 396 1HD LYS 50 1HD LYS 50 8.537 -10.846 0.356 397 2HD LYS 50 2HD LYS 50 7.601 -10.695 -1.159 398 1HE LYS 50 1HE LYS 50 7.631 -13.036 -0.509 399 2HE LYS 50 2HE LYS 50 8.610 -12.843 -2.013 400 1HZ LYS 50 1HZ LYS 50 9.622 -14.279 -0.323 401 2HZ LYS 50 2HZ LYS 50 9.749 -12.978 0.747 402 3HZ LYS 50 3HZ LYS 50 10.603 -12.973 -0.710 403 H ASP 51 H ASP 51 11.240 -6.641 0.252 404 HA ASP 51 HA ASP 51 9.837 -4.326 -0.278 405 1HB ASP 51 1HB ASP 51 12.341 -4.582 1.454 406 2HB ASP 51 2HB ASP 51 11.081 -3.308 1.568 407 H ARG 52 H ARG 52 13.291 -5.043 -0.930 408 HA ARG 52 HA ARG 52 14.069 -2.641 -1.915 409 1HB ARG 52 1HB ARG 52 14.733 -5.479 -2.772 410 2HB ARG 52 2HB ARG 52 15.511 -4.069 -3.554 411 1HG ARG 52 1HG ARG 52 16.390 -3.249 -1.446 412 2HG ARG 52 2HG ARG 52 15.616 -4.581 -0.534 413 1HD ARG 52 1HD ARG 52 17.050 -6.265 -1.690 414 2HD ARG 52 2HD ARG 52 17.797 -4.947 -2.701 415 HE ARG 52 HE ARG 52 18.096 -4.002 -0.096 416 1HH1 ARG 52 1HH1 ARG 52 19.474 -6.792 -1.883 417 2HH1 ARG 52 2HH1 ARG 52 20.710 -7.003 -0.672 418 1HH2 ARG 52 1HH2 ARG 52 19.836 -4.162 1.169 419 2HH2 ARG 52 2HH2 ARG 52 21.108 -5.237 0.756 420 H TYR 53 H TYR 53 12.084 -4.998 -3.705 421 HA TYR 53 HA TYR 53 12.000 -3.287 -6.007 422 1HB TYR 53 1HB TYR 53 10.419 -5.794 -5.180 423 2HB TYR 53 2HB TYR 53 10.191 -4.943 -6.755 424 HD1 TYR 53 HD1 TYR 53 11.768 -7.658 -5.373 425 HD2 TYR 53 HD2 TYR 53 12.548 -4.337 -7.911 426 HE1 TYR 53 HE1 TYR 53 13.527 -8.927 -6.488 427 HE2 TYR 53 HE2 TYR 53 14.342 -5.572 -8.984 428 HH TYR 53 HH TYR 53 15.050 -8.963 -8.184 429 H LYS 54 H LYS 54 9.663 -4.108 -3.372 430 HA LYS 54 HA LYS 54 7.590 -2.650 -4.364 431 1HB LYS 54 1HB LYS 54 8.447 -3.291 -1.494 432 2HB LYS 54 2HB LYS 54 6.850 -2.592 -1.895 433 1HG LYS 54 1HG LYS 54 6.125 -4.527 -3.084 434 2HG LYS 54 2HG LYS 54 7.752 -5.289 -3.041 435 1HD LYS 54 1HD LYS 54 7.736 -5.322 -0.594 436 2HD LYS 54 2HD LYS 54 6.154 -4.468 -0.547 437 1HE LYS 54 1HE LYS 54 5.114 -6.504 -1.754 438 2HE LYS 54 2HE LYS 54 6.688 -7.365 -1.507 439 1HZ LYS 54 1HZ LYS 54 5.382 -7.913 0.360 440 2HZ LYS 54 2HZ LYS 54 4.799 -6.337 0.560 441 3HZ LYS 54 3HZ LYS 54 6.388 -6.693 0.925 442 H TRP 55 H TRP 55 10.180 -1.559 -2.157 443 HA TRP 55 HA TRP 55 9.026 0.930 -1.667 444 1HB TRP 55 1HB TRP 55 10.781 -0.379 -0.313 445 2HB TRP 55 2HB TRP 55 12.002 0.286 -1.445 446 HD1 TRP 55 HD1 TRP 55 9.858 1.262 1.647 447 HE1 TRP 55 HE1 TRP 55 9.583 3.799 1.718 448 HE3 TRP 55 HE3 TRP 55 12.891 2.507 -2.218 449 HZ2 TRP 55 HZ2 TRP 55 11.070 6.029 0.769 450 HZ3 TRP 55 HZ3 TRP 55 13.445 4.886 -2.558 451 HH2 TRP 55 HH2 TRP 55 12.606 6.595 -1.086 452 H GLU 56 H GLU 56 11.073 -0.245 -4.299 453 HA GLU 56 HA GLU 56 11.669 2.374 -5.230 454 1HB GLU 56 1HB GLU 56 13.076 0.301 -5.577 455 2HB GLU 56 2HB GLU 56 11.900 -0.199 -6.831 456 1HG GLU 56 1HG GLU 56 12.294 2.046 -7.989 457 2HG GLU 56 2HG GLU 56 13.486 2.468 -6.718 458 H ALA 57 H ALA 57 9.113 -0.009 -5.821 459 HA ALA 57 HA ALA 57 7.930 1.480 -7.916 460 1HB ALA 57 1HB ALA 57 5.981 -0.042 -7.518 461 2HB ALA 57 2HB ALA 57 6.757 -0.617 -5.993 462 3HB ALA 57 3HB ALA 57 7.524 -0.957 -7.581 463 H TRP 58 H TRP 58 8.087 1.966 -4.519 464 HA TRP 58 HA TRP 58 5.638 3.449 -4.395 465 1HB TRP 58 1HB TRP 58 6.202 2.009 -2.511 466 2HB TRP 58 2HB TRP 58 7.744 2.896 -2.251 467 HD1 TRP 58 HD1 TRP 58 4.542 4.970 -2.815 468 HE1 TRP 58 HE1 TRP 58 4.085 6.196 -0.553 469 HE3 TRP 58 HE3 TRP 58 7.688 2.356 0.127 470 HZ2 TRP 58 HZ2 TRP 58 5.274 6.273 1.973 471 HZ3 TRP 58 HZ3 TRP 58 7.777 2.854 2.526 472 HH2 TRP 58 HH2 TRP 58 6.607 4.755 3.450 473 H GLU 59 H GLU 59 9.215 4.108 -4.066 474 HA GLU 59 HA GLU 59 8.906 6.850 -3.955 475 1HB GLU 59 1HB GLU 59 11.228 7.124 -4.514 476 2HB GLU 59 2HB GLU 59 10.929 6.013 -3.151 477 1HG GLU 59 1HG GLU 59 11.802 4.213 -4.189 478 2HG GLU 59 2HG GLU 59 11.197 4.653 -5.833 479 H ASN 60 H ASN 60 8.369 4.835 -6.618 480 HA ASN 60 HA ASN 60 8.844 6.628 -8.697 481 1HB ASN 60 1HB ASN 60 8.045 4.139 -8.633 482 2HB ASN 60 2HB ASN 60 6.392 4.789 -8.413 483 1HD2 ASN 60 1HD2 ASN 60 9.234 4.643 -10.573 484 2HD2 ASN 60 2HD2 ASN 60 8.396 5.078 -12.040 485 H LEU 61 H LEU 61 6.351 6.543 -6.215 486 HA LEU 61 HA LEU 61 5.158 8.999 -7.290 487 1HB LEU 61 1HB LEU 61 3.902 6.450 -6.342 488 2HB LEU 61 2HB LEU 61 3.076 7.928 -5.841 489 HG LEU 61 HG LEU 61 2.973 8.769 -8.132 490 1HD1 LEU 61 1HD1 LEU 61 3.320 7.012 -10.034 491 2HD1 LEU 61 2HD1 LEU 61 4.380 6.146 -8.837 492 3HD1 LEU 61 3HD1 LEU 61 4.763 7.853 -9.353 493 1HD2 LEU 61 1HD2 LEU 61 1.866 5.904 -7.760 494 2HD2 LEU 61 2HD2 LEU 61 1.246 7.148 -8.942 495 3HD2 LEU 61 3HD2 LEU 61 1.118 7.436 -7.158 496 H LYS 62 H LYS 62 7.369 8.705 -5.529 497 HA LYS 62 HA LYS 62 7.016 9.121 -2.941 498 1HB LYS 62 1HB LYS 62 9.215 10.402 -3.100 499 2HB LYS 62 2HB LYS 62 9.189 8.900 -4.057 500 1HG LYS 62 1HG LYS 62 8.622 10.314 -6.116 501 2HG LYS 62 2HG LYS 62 8.925 11.776 -5.130 502 1HD LYS 62 1HD LYS 62 10.890 9.450 -5.419 503 2HD LYS 62 2HD LYS 62 10.827 10.796 -6.597 504 1HE LYS 62 1HE LYS 62 11.469 12.461 -4.887 505 2HE LYS 62 2HE LYS 62 11.413 11.210 -3.579 506 1HZ LYS 62 1HZ LYS 62 13.215 10.099 -4.489 507 2HZ LYS 62 2HZ LYS 62 13.677 11.711 -4.588 508 3HZ LYS 62 3HZ LYS 62 13.151 10.913 -5.972 509 H GLY 63 H GLY 63 6.184 11.658 -5.244 510 1HA GLY 63 1HA GLY 63 6.905 13.688 -3.290 511 2HA GLY 63 2HA GLY 63 6.575 13.860 -5.046 512 H LYS 64 H LYS 64 4.125 12.616 -5.280 513 HA LYS 64 HA LYS 64 2.583 14.804 -3.956 514 1HB LYS 64 1HB LYS 64 2.864 13.913 -6.775 515 2HB LYS 64 2HB LYS 64 1.164 14.167 -6.279 516 1HG LYS 64 1HG LYS 64 1.616 16.363 -5.425 517 2HG LYS 64 2HG LYS 64 3.386 16.161 -5.727 518 1HD LYS 64 1HD LYS 64 2.807 15.822 -8.222 519 2HD LYS 64 2HD LYS 64 1.154 16.394 -7.839 520 1HE LYS 64 1HE LYS 64 2.160 18.588 -7.012 521 2HE LYS 64 2HE LYS 64 3.802 17.971 -7.457 522 1HZ LYS 64 1HZ LYS 64 1.526 18.272 -9.356 523 2HZ LYS 64 2HZ LYS 64 3.102 17.875 -9.766 524 3HZ LYS 64 3HZ LYS 64 2.753 19.402 -9.159 525 H SER 65 H SER 65 2.631 11.420 -4.716 526 HA SER 65 HA SER 65 -0.037 11.530 -5.461 527 1HB SER 65 1HB SER 65 2.315 10.166 -6.099 528 2HB SER 65 2HB SER 65 1.303 8.866 -5.422 529 HG SER 65 HG SER 65 0.859 10.580 -7.628 530 H GLN 66 H GLN 66 0.029 11.877 -2.583 531 HA GLN 66 HA GLN 66 -1.359 9.586 -1.527 532 1HB GLN 66 1HB GLN 66 -0.299 10.786 0.157 533 2HB GLN 66 2HB GLN 66 -0.480 12.353 -0.690 534 1HG GLN 66 1HG GLN 66 -2.753 12.607 -0.121 535 2HG GLN 66 2HG GLN 66 -2.905 10.940 0.562 536 1HE2 GLN 66 1HE2 GLN 66 -1.334 10.487 2.446 537 2HE2 GLN 66 2HE2 GLN 66 -1.150 11.777 3.622 538 H GLU 67 H GLU 67 -1.886 12.684 -3.107 539 HA GLU 67 HA GLU 67 -4.674 12.814 -2.774 540 1HB GLU 67 1HB GLU 67 -4.535 14.683 -4.326 541 2HB GLU 67 2HB GLU 67 -3.272 14.827 -3.080 542 1HG GLU 67 1HG GLU 67 -1.487 14.345 -4.587 543 2HG GLU 67 2HG GLU 67 -2.584 13.647 -5.828 544 H ASP 68 H ASP 68 -2.490 11.493 -5.207 545 HA ASP 68 HA ASP 68 -4.682 10.638 -6.863 546 1HB ASP 68 1HB ASP 68 -1.679 9.976 -6.787 547 2HB ASP 68 2HB ASP 68 -2.772 9.448 -8.123 548 H ALA 69 H ALA 69 -2.279 8.915 -4.699 549 HA ALA 69 HA ALA 69 -3.059 6.498 -4.861 550 1HB ALA 69 1HB ALA 69 -2.777 6.188 -2.362 551 2HB ALA 69 2HB ALA 69 -2.641 7.989 -2.249 552 3HB ALA 69 3HB ALA 69 -1.463 7.036 -3.228 553 H GLU 70 H GLU 70 -4.873 8.565 -2.483 554 HA GLU 70 HA GLU 70 -6.930 6.910 -1.877 555 1HB GLU 70 1HB GLU 70 -8.307 8.763 -1.427 556 2HB GLU 70 2HB GLU 70 -6.679 8.834 -0.709 557 1HG GLU 70 1HG GLU 70 -6.008 10.691 -1.916 558 2HG GLU 70 2HG GLU 70 -6.929 10.194 -3.374 559 H LYS 71 H LYS 71 -6.919 8.780 -4.992 560 HA LYS 71 HA LYS 71 -9.563 7.800 -5.587 561 1HB LYS 71 1HB LYS 71 -7.570 9.652 -7.008 562 2HB LYS 71 2HB LYS 71 -9.235 9.339 -7.592 563 1HG LYS 71 1HG LYS 71 -10.228 10.440 -5.668 564 2HG LYS 71 2HG LYS 71 -8.651 10.493 -4.806 565 1HD LYS 71 1HD LYS 71 -7.682 11.938 -6.528 566 2HD LYS 71 2HD LYS 71 -9.218 11.930 -7.452 567 1HE LYS 71 1HE LYS 71 -9.177 14.033 -6.243 568 2HE LYS 71 2HE LYS 71 -10.374 12.989 -5.374 569 1HZ LYS 71 1HZ LYS 71 -8.687 12.502 -3.737 570 2HZ LYS 71 2HZ LYS 71 -8.790 14.183 -3.943 571 3HZ LYS 71 3HZ LYS 71 -7.512 13.359 -4.647 572 H GLU 72 H GLU 72 -6.270 6.929 -6.475 573 HA GLU 72 HA GLU 72 -7.363 5.279 -8.616 574 1HB GLU 72 1HB GLU 72 -4.555 5.651 -7.529 575 2HB GLU 72 2HB GLU 72 -5.005 4.544 -8.883 576 1HG GLU 72 1HG GLU 72 -5.958 6.588 -10.114 577 2HG GLU 72 2HG GLU 72 -5.315 7.617 -8.784 578 H TYR 73 H TYR 73 -6.461 5.002 -5.218 579 HA TYR 73 HA TYR 73 -6.058 2.308 -5.171 580 1HB TYR 73 1HB TYR 73 -5.497 4.002 -3.353 581 2HB TYR 73 2HB TYR 73 -7.225 4.003 -2.865 582 HD1 TYR 73 HD1 TYR 73 -4.390 1.743 -3.681 583 HD2 TYR 73 HD2 TYR 73 -7.738 2.443 -1.170 584 HE1 TYR 73 HE1 TYR 73 -3.582 0.005 -2.159 585 HE2 TYR 73 HE2 TYR 73 -7.009 0.637 0.307 586 HH TYR 73 HH TYR 73 -3.898 -1.075 -0.334 587 H ILE 74 H ILE 74 -9.119 4.097 -4.405 588 HA ILE 74 HA ILE 74 -10.865 2.180 -4.055 589 HB ILE 74 HB ILE 74 -11.422 4.416 -4.073 590 1HG1 ILE 74 1HG1 ILE 74 -13.004 3.040 -6.350 591 2HG1 ILE 74 2HG1 ILE 74 -13.247 2.743 -4.610 592 1HG2 ILE 74 1HG2 ILE 74 -11.581 5.859 -6.060 593 2HG2 ILE 74 2HG2 ILE 74 -11.050 4.532 -7.127 594 3HG2 ILE 74 3HG2 ILE 74 -9.920 5.212 -5.891 595 1HD1 ILE 74 1HD1 ILE 74 -14.962 4.291 -5.422 596 2HD1 ILE 74 2HD1 ILE 74 -13.741 5.379 -6.155 597 3HD1 ILE 74 3HD1 ILE 74 -13.861 5.236 -4.359 598 H ALA 75 H ALA 75 -9.741 2.964 -7.358 599 HA ALA 75 HA ALA 75 -11.409 0.945 -8.438 600 1HB ALA 75 1HB ALA 75 -9.073 2.538 -9.689 601 2HB ALA 75 2HB ALA 75 -10.798 3.057 -9.678 602 3HB ALA 75 3HB ALA 75 -10.308 1.608 -10.619 603 H LEU 76 H LEU 76 -8.155 0.819 -7.241 604 HA LEU 76 HA LEU 76 -7.521 -1.696 -8.452 605 1HB LEU 76 1HB LEU 76 -6.527 -0.489 -5.786 606 2HB LEU 76 2HB LEU 76 -5.836 -1.905 -6.602 607 HG LEU 76 HG LEU 76 -5.873 0.963 -7.701 608 1HD1 LEU 76 1HD1 LEU 76 -3.614 -0.761 -6.481 609 2HD1 LEU 76 2HD1 LEU 76 -4.470 0.584 -5.640 610 3HD1 LEU 76 3HD1 LEU 76 -3.482 0.924 -7.129 611 1HD2 LEU 76 1HD2 LEU 76 -4.202 0.079 -9.359 612 2HD2 LEU 76 2HD2 LEU 76 -5.821 -0.672 -9.589 613 3HD2 LEU 76 3HD2 LEU 76 -4.499 -1.596 -8.768 614 H VAL 77 H VAL 77 -8.586 -0.666 -5.192 615 HA VAL 77 HA VAL 77 -8.614 -3.246 -4.174 616 HB VAL 77 HB VAL 77 -9.488 -0.566 -3.164 617 1HG1 VAL 77 1HG1 VAL 77 -10.959 -2.145 -1.951 618 2HG1 VAL 77 2HG1 VAL 77 -9.503 -1.880 -0.903 619 3HG1 VAL 77 3HG1 VAL 77 -9.649 -3.382 -1.883 620 1HG2 VAL 77 1HG2 VAL 77 -7.006 -1.098 -3.457 621 2HG2 VAL 77 2HG2 VAL 77 -7.306 -2.688 -2.644 622 3HG2 VAL 77 3HG2 VAL 77 -7.435 -1.170 -1.700 623 H ASP 78 H ASP 78 -11.145 -1.321 -5.841 624 HA ASP 78 HA ASP 78 -13.277 -2.846 -4.978 625 1HB ASP 78 1HB ASP 78 -12.565 -1.082 -7.341 626 2HB ASP 78 2HB ASP 78 -13.923 -2.227 -7.634 627 H GLN 79 H GLN 79 -10.982 -3.436 -7.613 628 HA GLN 79 HA GLN 79 -12.437 -5.807 -8.422 629 1HB GLN 79 1HB GLN 79 -9.728 -4.773 -9.381 630 2HB GLN 79 2HB GLN 79 -10.690 -6.087 -10.121 631 1HG GLN 79 1HG GLN 79 -11.383 -3.096 -9.991 632 2HG GLN 79 2HG GLN 79 -10.942 -4.050 -11.444 633 1HE2 GLN 79 1HE2 GLN 79 -13.423 -2.443 -10.633 634 2HE2 GLN 79 2HE2 GLN 79 -14.744 -3.535 -10.953 635 H LEU 80 H LEU 80 -9.806 -4.966 -6.313 636 HA LEU 80 HA LEU 80 -8.701 -7.608 -6.074 637 1HB LEU 80 1HB LEU 80 -8.343 -5.148 -4.389 638 2HB LEU 80 2HB LEU 80 -7.405 -6.663 -4.265 639 HG LEU 80 HG LEU 80 -7.584 -4.977 -6.837 640 1HD1 LEU 80 1HD1 LEU 80 -5.269 -5.127 -4.838 641 2HD1 LEU 80 2HD1 LEU 80 -6.411 -3.726 -4.985 642 3HD1 LEU 80 3HD1 LEU 80 -5.323 -4.169 -6.360 643 1HD2 LEU 80 1HD2 LEU 80 -5.648 -6.245 -7.630 644 2HD2 LEU 80 2HD2 LEU 80 -7.035 -7.343 -7.345 645 3HD2 LEU 80 3HD2 LEU 80 -5.667 -7.279 -6.165 646 H ILE 81 H ILE 81 -11.043 -5.670 -4.074 647 HA ILE 81 HA ILE 81 -11.447 -7.847 -2.365 648 HB ILE 81 HB ILE 81 -12.922 -5.364 -3.025 649 1HG1 ILE 81 1HG1 ILE 81 -11.386 -6.354 -0.534 650 2HG1 ILE 81 2HG1 ILE 81 -10.779 -5.213 -1.770 651 1HG2 ILE 81 1HG2 ILE 81 -14.450 -5.741 -1.047 652 2HG2 ILE 81 2HG2 ILE 81 -13.742 -7.379 -0.822 653 3HG2 ILE 81 3HG2 ILE 81 -14.723 -6.978 -2.292 654 1HD1 ILE 81 1HD1 ILE 81 -12.628 -3.586 -1.115 655 2HD1 ILE 81 2HD1 ILE 81 -11.442 -3.933 0.197 656 3HD1 ILE 81 3HD1 ILE 81 -13.068 -4.694 0.239 657 H ALA 82 H ALA 82 -13.031 -6.936 -5.440 658 HA ALA 82 HA ALA 82 -15.092 -8.760 -5.311 659 1HB ALA 82 1HB ALA 82 -14.836 -6.996 -7.056 660 2HB ALA 82 2HB ALA 82 -15.107 -8.610 -7.789 661 3HB ALA 82 3HB ALA 82 -13.449 -7.902 -7.763 662 H LYS 83 H LYS 83 -11.659 -9.426 -5.820 663 HA LYS 83 HA LYS 83 -12.192 -12.164 -6.577 664 1HB LYS 83 1HB LYS 83 -10.540 -10.825 -7.805 665 2HB LYS 83 2HB LYS 83 -9.639 -10.504 -6.295 666 1HG LYS 83 1HG LYS 83 -8.956 -12.828 -6.129 667 2HG LYS 83 2HG LYS 83 -10.155 -13.350 -7.347 668 1HD LYS 83 1HD LYS 83 -7.811 -13.332 -8.182 669 2HD LYS 83 2HD LYS 83 -8.940 -12.356 -9.168 670 1HE LYS 83 1HE LYS 83 -8.026 -10.256 -8.393 671 2HE LYS 83 2HE LYS 83 -7.148 -11.059 -7.039 672 1HZ LYS 83 1HZ LYS 83 -5.665 -10.514 -8.816 673 2HZ LYS 83 2HZ LYS 83 -6.542 -11.452 -9.936 674 3HZ LYS 83 3HZ LYS 83 -5.754 -12.179 -8.652 675 H TYR 84 H TYR 84 -11.117 -10.127 -3.858 676 HA TYR 84 HA TYR 84 -10.058 -12.466 -2.539 677 1HB TYR 84 1HB TYR 84 -9.657 -9.475 -2.041 678 2HB TYR 84 2HB TYR 84 -8.808 -10.795 -1.183 679 HD1 TYR 84 HD1 TYR 84 -8.199 -12.530 -3.646 680 HD2 TYR 84 HD2 TYR 84 -7.814 -8.392 -2.826 681 HE1 TYR 84 HE1 TYR 84 -6.213 -12.437 -5.075 682 HE2 TYR 84 HE2 TYR 84 -5.870 -8.268 -4.292 683 HH TYR 84 HH TYR 84 -5.007 -9.688 -6.394 684 H SER 85 H SER 85 -12.823 -10.407 -2.138 685 HA SER 85 HA SER 85 -13.063 -9.979 0.421 686 1HB SER 85 1HB SER 85 -15.540 -10.236 0.198 687 2HB SER 85 2HB SER 85 -14.780 -9.292 -1.115 688 HG SER 85 HG SER 85 -16.348 -10.917 -1.731 689 H SER 86 H SER 86 -14.073 -13.100 -0.945 690 HA SER 86 HA SER 86 -13.057 -14.503 1.231 691 1HB SER 86 1HB SER 86 -15.235 -13.644 2.321 692 2HB SER 86 2HB SER 86 -16.126 -14.601 1.090 693 HG SER 86 HG SER 86 -14.822 -16.395 1.859
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