NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
5356 | 1h9f | 5043 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ARG 1 H1 ARG 1 9.470 -9.648 -13.185 2 H2 ARG 1 H2 ARG 1 8.958 -10.748 -14.375 3 H3 ARG 1 H3 ARG 1 10.342 -9.802 -14.635 4 HA ARG 1 HA ARG 1 9.180 -7.929 -15.122 5 1HB ARG 1 1HB ARG 1 7.961 -10.407 -16.076 6 2HB ARG 1 2HB ARG 1 6.759 -9.127 -15.964 7 1HG ARG 1 1HG ARG 1 8.187 -9.451 -18.171 8 2HG ARG 1 2HG ARG 1 7.785 -7.832 -17.609 9 1HD ARG 1 1HD ARG 1 9.963 -7.464 -16.762 10 2HD ARG 1 2HD ARG 1 10.329 -9.192 -16.699 11 HE ARG 1 HE ARG 1 9.859 -8.483 -19.438 12 1HH1 ARG 1 1HH1 ARG 1 12.226 -8.947 -17.062 13 2HH1 ARG 1 2HH1 ARG 1 13.521 -8.260 -17.984 14 1HH2 ARG 1 1HH2 ARG 1 11.464 -7.152 -20.546 15 2HH2 ARG 1 2HH2 ARG 1 13.090 -7.244 -19.956 16 H GLN 2 H GLN 2 8.640 -6.704 -13.312 17 HA GLN 2 HA GLN 2 6.261 -7.476 -11.728 18 1HB GLN 2 1HB GLN 2 8.567 -6.458 -10.869 19 2HB GLN 2 2HB GLN 2 7.775 -4.932 -11.256 20 1HG GLN 2 1HG GLN 2 7.375 -5.589 -8.897 21 2HG GLN 2 2HG GLN 2 5.872 -5.537 -9.821 22 2HE2 GLN 2 2HE2 GLN 2 8.165 -8.185 -10.291 23 1HE2 GLN 2 1HE2 GLN 2 7.216 -9.379 -9.547 24 H GLU 3 H GLU 3 7.414 -4.713 -13.679 25 HA GLU 3 HA GLU 3 6.212 -2.946 -14.664 26 1HB GLU 3 1HB GLU 3 3.929 -4.911 -14.894 27 2HB GLU 3 2HB GLU 3 4.386 -3.628 -16.012 28 1HG GLU 3 1HG GLU 3 5.694 -6.313 -15.582 29 2HG GLU 3 2HG GLU 3 5.174 -5.561 -17.089 30 H ASP 4 H ASP 4 5.770 -1.452 -13.077 31 HA ASP 4 HA ASP 4 4.490 -0.243 -11.507 32 1HB ASP 4 1HB ASP 4 2.024 -1.793 -12.029 33 2HB ASP 4 2HB ASP 4 2.296 -0.054 -12.055 34 H LYS 5 H LYS 5 4.069 -0.453 -9.340 35 HA LYS 5 HA LYS 5 3.784 -3.237 -8.291 36 1HB LYS 5 1HB LYS 5 5.987 -2.240 -7.774 37 2HB LYS 5 2HB LYS 5 5.186 -0.854 -7.046 38 1HG LYS 5 1HG LYS 5 5.968 -2.499 -5.352 39 2HG LYS 5 2HG LYS 5 4.223 -2.285 -5.305 40 1HD LYS 5 1HD LYS 5 3.835 -4.353 -6.444 41 2HD LYS 5 2HD LYS 5 5.534 -4.502 -6.895 42 1HE LYS 5 1HE LYS 5 6.182 -5.119 -4.732 43 2HE LYS 5 2HE LYS 5 4.767 -4.368 -3.989 44 1HZ LYS 5 1HZ LYS 5 3.873 -6.320 -5.769 45 2HZ LYS 5 2HZ LYS 5 5.092 -7.023 -4.821 46 3HZ LYS 5 3HZ LYS 5 3.744 -6.306 -4.076 47 H ASP 6 H ASP 6 3.278 0.171 -7.268 48 HA ASP 6 HA ASP 6 1.046 -0.543 -5.530 49 1HB ASP 6 1HB ASP 6 0.651 2.034 -5.671 50 2HB ASP 6 2HB ASP 6 2.121 1.464 -4.879 51 H ASP 7 H ASP 7 1.226 -0.656 -8.802 52 HA ASP 7 HA ASP 7 -0.782 0.713 -10.024 53 1HB ASP 7 1HB ASP 7 -1.061 -1.112 -11.528 54 2HB ASP 7 2HB ASP 7 0.605 -1.223 -10.957 55 H LEU 8 H LEU 8 -1.364 -2.178 -7.965 56 HA LEU 8 HA LEU 8 -4.146 -2.347 -8.205 57 1HB LEU 8 1HB LEU 8 -2.829 -3.897 -6.791 58 2HB LEU 8 2HB LEU 8 -2.550 -2.597 -5.632 59 HG LEU 8 HG LEU 8 -5.358 -3.301 -6.425 60 1HD1 LEU 8 1HD1 LEU 8 -3.688 -5.242 -5.444 61 2HD1 LEU 8 2HD1 LEU 8 -4.363 -4.564 -3.963 62 3HD1 LEU 8 3HD1 LEU 8 -5.436 -5.215 -5.202 63 1HD2 LEU 8 1HD2 LEU 8 -4.021 -1.686 -4.404 64 2HD2 LEU 8 2HD2 LEU 8 -5.668 -1.582 -5.022 65 3HD2 LEU 8 3HD2 LEU 8 -5.283 -2.735 -3.744 66 H ASP 9 H ASP 9 -5.791 -0.942 -7.716 67 HA ASP 9 HA ASP 9 -5.330 1.721 -6.893 68 1HB ASP 9 1HB ASP 9 -7.831 0.041 -6.513 69 2HB ASP 9 2HB ASP 9 -7.761 1.800 -6.405 70 H VAL 10 H VAL 10 -3.914 1.660 -5.068 71 HA VAL 10 HA VAL 10 -4.500 0.161 -2.699 72 HB VAL 10 HB VAL 10 -2.281 1.069 -3.495 73 1HG1 VAL 10 1HG1 VAL 10 -3.462 3.453 -3.609 74 2HG1 VAL 10 2HG1 VAL 10 -2.784 3.549 -1.989 75 3HG1 VAL 10 3HG1 VAL 10 -1.723 3.264 -3.363 76 1HG2 VAL 10 1HG2 VAL 10 -3.323 0.851 -0.798 77 2HG2 VAL 10 2HG2 VAL 10 -1.825 0.226 -1.486 78 3HG2 VAL 10 3HG2 VAL 10 -1.891 1.881 -0.902 79 H THR 11 H THR 11 -6.068 2.806 -3.962 80 HA THR 11 HA THR 11 -6.697 3.910 -1.261 81 HB THR 11 HB THR 11 -6.186 5.802 -2.445 82 HG1 THR 11 HG1 THR 11 -8.190 6.683 -3.266 83 1HG2 THR 11 1HG2 THR 11 -7.194 4.327 -4.871 84 2HG2 THR 11 2HG2 THR 11 -6.894 6.062 -4.905 85 3HG2 THR 11 3HG2 THR 11 -5.574 4.950 -4.557 86 H GLU 12 H GLU 12 -8.523 3.188 -4.309 87 HA GLU 12 HA GLU 12 -11.060 3.254 -2.983 88 1HB GLU 12 1HB GLU 12 -11.956 2.586 -5.023 89 2HB GLU 12 2HB GLU 12 -10.408 3.232 -5.559 90 1HG GLU 12 1HG GLU 12 -9.694 0.672 -4.981 91 2HG GLU 12 2HG GLU 12 -11.361 0.437 -5.483 92 H LEU 13 H LEU 13 -8.558 0.914 -3.232 93 HA LEU 13 HA LEU 13 -9.557 -1.563 -2.900 94 1HB LEU 13 1HB LEU 13 -7.579 -2.101 -1.807 95 2HB LEU 13 2HB LEU 13 -7.162 -0.541 -2.496 96 HG LEU 13 HG LEU 13 -8.207 -0.980 0.299 97 1HD1 LEU 13 1HD1 LEU 13 -5.875 -1.827 -0.140 98 2HD1 LEU 13 2HD1 LEU 13 -5.429 -0.195 -0.640 99 3HD1 LEU 13 3HD1 LEU 13 -5.927 -0.502 1.024 100 1HD2 LEU 13 1HD2 LEU 13 -7.221 1.490 -1.148 101 2HD2 LEU 13 2HD2 LEU 13 -8.835 1.215 -0.489 102 3HD2 LEU 13 3HD2 LEU 13 -7.459 1.407 0.594 103 H THR 14 H THR 14 -10.134 -2.899 -1.057 104 HA THR 14 HA THR 14 -12.109 -1.509 0.609 105 HB THR 14 HB THR 14 -12.477 -3.918 1.483 106 HG1 THR 14 HG1 THR 14 -11.482 -5.498 0.372 107 1HG2 THR 14 1HG2 THR 14 -12.856 -3.105 -1.405 108 2HG2 THR 14 2HG2 THR 14 -13.574 -4.564 -0.721 109 3HG2 THR 14 3HG2 THR 14 -14.022 -2.980 -0.087 110 H ASN 15 H ASN 15 -12.111 -2.687 3.021 111 HA ASN 15 HA ASN 15 -9.547 -1.762 4.173 112 1HB ASN 15 1HB ASN 15 -12.200 -2.411 5.482 113 2HB ASN 15 2HB ASN 15 -10.780 -1.802 6.332 114 2HD2 ASN 15 2HD2 ASN 15 -12.695 -0.939 3.384 115 1HD2 ASN 15 1HD2 ASN 15 -12.670 0.732 3.685 116 H GLU 16 H GLU 16 -11.788 -4.509 4.758 117 HA GLU 16 HA GLU 16 -9.964 -6.057 6.272 118 1HB GLU 16 1HB GLU 16 -11.353 -8.000 5.652 119 2HB GLU 16 2HB GLU 16 -12.353 -6.630 6.123 120 1HG GLU 16 1HG GLU 16 -11.617 -6.883 3.242 121 2HG GLU 16 2HG GLU 16 -12.811 -8.016 3.875 122 H ASP 17 H ASP 17 -10.115 -5.529 2.829 123 HA ASP 17 HA ASP 17 -8.357 -7.840 2.312 124 1HB ASP 17 1HB ASP 17 -10.209 -7.301 0.746 125 2HB ASP 17 2HB ASP 17 -9.415 -5.775 0.368 126 H LEU 18 H LEU 18 -8.003 -4.336 2.662 127 HA LEU 18 HA LEU 18 -5.368 -4.447 1.380 128 1HB LEU 18 1HB LEU 18 -5.204 -2.167 1.616 129 2HB LEU 18 2HB LEU 18 -6.949 -2.373 1.521 130 HG LEU 18 HG LEU 18 -6.847 -2.479 4.111 131 1HD1 LEU 18 1HD1 LEU 18 -4.098 -2.096 3.450 132 2HD1 LEU 18 2HD1 LEU 18 -4.671 -0.636 4.255 133 3HD1 LEU 18 3HD1 LEU 18 -4.821 -2.202 5.055 134 1HD2 LEU 18 1HD2 LEU 18 -7.629 -0.582 2.489 135 2HD2 LEU 18 2HD2 LEU 18 -7.334 -0.185 4.180 136 3HD2 LEU 18 3HD2 LEU 18 -6.123 0.201 2.963 137 H LEU 19 H LEU 19 -6.643 -5.109 4.444 138 HA LEU 19 HA LEU 19 -4.496 -4.381 6.141 139 1HB LEU 19 1HB LEU 19 -6.451 -6.688 6.220 140 2HB LEU 19 2HB LEU 19 -5.196 -6.522 7.442 141 HG LEU 19 HG LEU 19 -7.546 -4.720 6.898 142 1HD1 LEU 19 1HD1 LEU 19 -6.315 -6.130 9.274 143 2HD1 LEU 19 2HD1 LEU 19 -7.558 -4.889 9.461 144 3HD1 LEU 19 3HD1 LEU 19 -7.920 -6.373 8.578 145 1HD2 LEU 19 1HD2 LEU 19 -4.864 -3.976 8.027 146 2HD2 LEU 19 2HD2 LEU 19 -5.963 -3.016 7.029 147 3HD2 LEU 19 3HD2 LEU 19 -6.315 -3.274 8.738 148 H ASP 20 H ASP 20 -4.686 -6.711 3.619 149 HA ASP 20 HA ASP 20 -2.466 -8.351 4.594 150 1HB ASP 20 1HB ASP 20 -4.454 -8.808 2.788 151 2HB ASP 20 2HB ASP 20 -3.129 -8.383 1.705 152 H GLN 21 H GLN 21 -2.915 -5.622 2.407 153 HA GLN 21 HA GLN 21 -0.272 -5.665 1.301 154 1HB GLN 21 1HB GLN 21 -2.268 -3.379 1.582 155 2HB GLN 21 2HB GLN 21 -0.782 -3.306 0.661 156 1HG GLN 21 1HG GLN 21 -1.571 -4.726 -1.008 157 2HG GLN 21 2HG GLN 21 -2.779 -5.458 0.051 158 2HE2 GLN 21 2HE2 GLN 21 -2.115 -2.667 -2.032 159 1HE2 GLN 21 1HE2 GLN 21 -3.641 -1.955 -1.857 160 H LEU 22 H LEU 22 -1.627 -4.438 4.268 161 HA LEU 22 HA LEU 22 0.850 -2.870 4.758 162 1HB LEU 22 1HB LEU 22 -1.913 -2.864 5.898 163 2HB LEU 22 2HB LEU 22 -0.592 -2.383 6.955 164 HG LEU 22 HG LEU 22 -0.034 -1.060 4.597 165 1HD1 LEU 22 1HD1 LEU 22 -2.325 -1.705 3.797 166 2HD1 LEU 22 2HD1 LEU 22 -2.998 -0.819 5.169 167 3HD1 LEU 22 3HD1 LEU 22 -2.099 0.037 3.916 168 1HD2 LEU 22 1HD2 LEU 22 -0.367 -0.410 7.225 169 2HD2 LEU 22 2HD2 LEU 22 -0.069 0.762 5.953 170 3HD2 LEU 22 3HD2 LEU 22 -1.714 0.442 6.490 171 H VAL 23 H VAL 23 -1.177 -5.296 6.394 172 HA VAL 23 HA VAL 23 0.630 -5.781 8.517 173 HB VAL 23 HB VAL 23 -1.350 -7.709 7.267 174 1HG1 VAL 23 1HG1 VAL 23 0.427 -7.805 9.638 175 2HG1 VAL 23 2HG1 VAL 23 -1.235 -8.330 9.907 176 3HG1 VAL 23 3HG1 VAL 23 -0.246 -9.124 8.682 177 1HG2 VAL 23 1HG2 VAL 23 -2.055 -5.341 8.242 178 2HG2 VAL 23 2HG2 VAL 23 -3.013 -6.779 8.592 179 3HG2 VAL 23 3HG2 VAL 23 -1.862 -6.174 9.784 180 H LYS 24 H LYS 24 1.217 -6.506 5.206 181 HA LYS 24 HA LYS 24 2.935 -8.721 6.203 182 1HB LYS 24 1HB LYS 24 2.882 -9.749 4.041 183 2HB LYS 24 2HB LYS 24 1.227 -9.259 4.390 184 1HG LYS 24 1HG LYS 24 1.247 -8.110 2.466 185 2HG LYS 24 2HG LYS 24 2.386 -7.000 3.217 186 1HD LYS 24 1HD LYS 24 2.967 -9.424 1.475 187 2HD LYS 24 2HD LYS 24 3.408 -7.752 1.165 188 1HE LYS 24 1HE LYS 24 5.056 -7.801 2.984 189 2HE LYS 24 2HE LYS 24 4.554 -9.437 3.420 190 1HZ LYS 24 1HZ LYS 24 5.252 -9.103 0.647 191 2HZ LYS 24 2HZ LYS 24 6.540 -8.849 1.724 192 3HZ LYS 24 3HZ LYS 24 5.693 -10.321 1.742 193 H TYR 25 H TYR 25 3.076 -5.747 4.327 194 HA TYR 25 HA TYR 25 5.848 -6.126 3.595 195 1HB TYR 25 1HB TYR 25 3.973 -3.786 3.713 196 2HB TYR 25 2HB TYR 25 5.706 -3.492 3.583 197 HD1 TYR 25 HD1 TYR 25 2.740 -4.838 1.923 198 HD2 TYR 25 HD2 TYR 25 6.975 -4.241 1.620 199 HE1 TYR 25 HE1 TYR 25 2.634 -5.361 -0.506 200 HE2 TYR 25 HE2 TYR 25 6.881 -4.764 -0.805 201 HH TYR 25 HH TYR 25 5.569 -5.681 -2.435 202 H GLY 26 H GLY 26 4.358 -5.830 6.571 203 1HA GLY 26 1HA GLY 26 6.871 -4.798 7.774 204 2HA GLY 26 2HA GLY 26 5.689 -5.832 8.601 205 H VAL 27 H VAL 27 3.473 -4.354 7.301 206 HA VAL 27 HA VAL 27 3.703 -1.748 8.795 207 HB VAL 27 HB VAL 27 1.751 -2.324 6.544 208 1HG1 VAL 27 1HG1 VAL 27 1.181 -0.503 8.119 209 2HG1 VAL 27 2HG1 VAL 27 2.753 0.242 7.815 210 3HG1 VAL 27 3HG1 VAL 27 1.567 0.134 6.511 211 1HG2 VAL 27 1HG2 VAL 27 4.470 -2.232 6.184 212 2HG2 VAL 27 2HG2 VAL 27 3.286 -1.724 4.965 213 3HG2 VAL 27 3HG2 VAL 27 4.038 -0.528 6.029 214 H ASN 28 H ASN 28 2.347 -1.428 10.482 215 HA ASN 28 HA ASN 28 -0.085 -3.153 10.655 216 1HB ASN 28 1HB ASN 28 1.447 -4.134 12.205 217 2HB ASN 28 2HB ASN 28 1.953 -2.555 12.807 218 2HD2 ASN 28 2HD2 ASN 28 -1.456 -3.064 12.153 219 1HD2 ASN 28 1HD2 ASN 28 -1.952 -3.161 13.773 220 HA PRO 29 HA PRO 29 -1.369 1.181 11.118 221 1HB PRO 29 1HB PRO 29 -3.729 0.775 9.716 222 2HB PRO 29 2HB PRO 29 -2.200 1.254 8.982 223 1HG PRO 29 1HG PRO 29 -3.602 -1.350 8.911 224 2HG PRO 29 2HG PRO 29 -2.382 -0.674 7.802 225 1HD PRO 29 1HD PRO 29 -1.916 -2.614 9.836 226 2HD PRO 29 2HD PRO 29 -0.693 -1.799 8.874 227 H GLY 30 H GLY 30 -3.667 -1.610 11.338 228 1HA GLY 30 1HA GLY 30 -4.437 -0.570 14.013 229 2HA GLY 30 2HA GLY 30 -4.711 -2.211 13.447 230 HA PRO 31 HA PRO 31 -8.637 0.157 12.875 231 1HB PRO 31 1HB PRO 31 -8.588 2.864 13.297 232 2HB PRO 31 2HB PRO 31 -8.717 1.675 14.594 233 1HG PRO 31 1HG PRO 31 -6.427 3.382 13.785 234 2HG PRO 31 2HG PRO 31 -6.752 2.614 15.348 235 1HD PRO 31 1HD PRO 31 -4.946 1.729 13.317 236 2HD PRO 31 2HD PRO 31 -5.383 0.840 14.787 237 H ILE 32 H ILE 32 -8.740 -0.204 10.623 238 HA ILE 32 HA ILE 32 -7.792 1.975 8.837 239 HB ILE 32 HB ILE 32 -8.972 -0.726 8.144 240 1HG1 ILE 32 1HG1 ILE 32 -6.569 -0.406 9.335 241 2HG1 ILE 32 2HG1 ILE 32 -6.872 -1.626 8.106 242 1HG2 ILE 32 1HG2 ILE 32 -8.108 1.649 6.613 243 2HG2 ILE 32 2HG2 ILE 32 -7.603 0.087 5.968 244 3HG2 ILE 32 3HG2 ILE 32 -9.315 0.428 6.216 245 1HD1 ILE 32 1HD1 ILE 32 -6.098 1.051 7.093 246 2HD1 ILE 32 2HD1 ILE 32 -4.839 0.138 7.933 247 3HD1 ILE 32 3HD1 ILE 32 -5.648 -0.555 6.528 248 H VAL 33 H VAL 33 -9.792 2.906 10.296 249 HA VAL 33 HA VAL 33 -12.460 2.438 9.632 250 HB VAL 33 HB VAL 33 -12.608 5.083 9.881 251 1HG1 VAL 33 1HG1 VAL 33 -12.680 2.884 11.615 252 2HG1 VAL 33 2HG1 VAL 33 -11.614 4.041 12.411 253 3HG1 VAL 33 3HG1 VAL 33 -13.255 4.513 11.968 254 1HG2 VAL 33 1HG2 VAL 33 -9.905 4.912 9.654 255 2HG2 VAL 33 2HG2 VAL 33 -10.719 6.182 10.567 256 3HG2 VAL 33 3HG2 VAL 33 -10.077 4.771 11.404 257 H GLY 34 H GLY 34 -13.789 4.180 8.228 258 1HA GLY 34 1HA GLY 34 -14.360 4.713 6.010 259 2HA GLY 34 2HA GLY 34 -12.980 3.749 5.486 260 H THR 35 H THR 35 -11.763 5.872 7.684 261 HA THR 35 HA THR 35 -11.283 7.985 5.645 262 HB THR 35 HB THR 35 -10.409 9.067 7.995 263 HG1 THR 35 HG1 THR 35 -12.445 8.468 9.291 264 1HG2 THR 35 1HG2 THR 35 -12.045 9.934 6.228 265 2HG2 THR 35 2HG2 THR 35 -13.312 9.134 7.159 266 3HG2 THR 35 3HG2 THR 35 -12.361 10.428 7.892 267 H THR 36 H THR 36 -9.847 5.288 6.836 268 HA THR 36 HA THR 36 -7.156 6.532 6.956 269 HB THR 36 HB THR 36 -6.546 4.122 7.719 270 HG1 THR 36 HG1 THR 36 -8.729 3.412 7.088 271 1HG2 THR 36 1HG2 THR 36 -8.267 6.019 9.331 272 2HG2 THR 36 2HG2 THR 36 -7.230 4.763 10.023 273 3HG2 THR 36 3HG2 THR 36 -6.514 6.119 9.130 274 H ARG 37 H ARG 37 -8.821 3.830 5.250 275 HA ARG 37 HA ARG 37 -6.839 2.751 3.759 276 1HB ARG 37 1HB ARG 37 -9.316 3.800 2.391 277 2HB ARG 37 2HB ARG 37 -8.291 2.483 1.848 278 1HG ARG 37 1HG ARG 37 -9.764 1.148 2.924 279 2HG ARG 37 2HG ARG 37 -8.861 1.626 4.374 280 1HD ARG 37 1HD ARG 37 -11.659 2.301 3.641 281 2HD ARG 37 2HD ARG 37 -10.852 2.534 5.192 282 HE ARG 37 HE ARG 37 -9.993 4.719 4.264 283 1HH1 ARG 37 1HH1 ARG 37 -13.082 3.511 3.635 284 2HH1 ARG 37 2HH1 ARG 37 -13.494 4.710 2.455 285 1HH2 ARG 37 1HH2 ARG 37 -10.310 6.079 2.344 286 2HH2 ARG 37 2HH2 ARG 37 -11.925 6.164 1.723 287 H LYS 38 H LYS 38 -8.229 5.962 2.875 288 HA LYS 38 HA LYS 38 -6.530 6.524 0.710 289 1HB LYS 38 1HB LYS 38 -7.758 8.285 2.842 290 2HB LYS 38 2HB LYS 38 -6.821 8.938 1.509 291 1HG LYS 38 1HG LYS 38 -8.608 7.111 0.334 292 2HG LYS 38 2HG LYS 38 -9.559 8.016 1.512 293 1HD LYS 38 1HD LYS 38 -7.847 9.867 0.173 294 2HD LYS 38 2HD LYS 38 -8.636 8.879 -1.058 295 1HE LYS 38 1HE LYS 38 -10.063 10.315 1.203 296 2HE LYS 38 2HE LYS 38 -9.992 10.876 -0.468 297 1HZ LYS 38 1HZ LYS 38 -10.903 8.527 -0.976 298 2HZ LYS 38 2HZ LYS 38 -11.395 8.545 0.650 299 3HZ LYS 38 3HZ LYS 38 -11.965 9.730 -0.425 300 H LEU 39 H LEU 39 -6.093 7.250 4.158 301 HA LEU 39 HA LEU 39 -3.517 8.353 4.124 302 1HB LEU 39 1HB LEU 39 -5.240 7.929 6.074 303 2HB LEU 39 2HB LEU 39 -4.387 6.404 6.265 304 HG LEU 39 HG LEU 39 -3.301 7.775 7.787 305 1HD1 LEU 39 1HD1 LEU 39 -4.542 9.825 6.657 306 2HD1 LEU 39 2HD1 LEU 39 -3.115 10.083 7.663 307 3HD1 LEU 39 3HD1 LEU 39 -2.965 10.087 5.906 308 1HD2 LEU 39 1HD2 LEU 39 -1.760 6.774 5.982 309 2HD2 LEU 39 2HD2 LEU 39 -1.629 8.415 5.351 310 3HD2 LEU 39 3HD2 LEU 39 -1.089 8.055 6.988 311 H TYR 40 H TYR 40 -4.250 4.938 4.872 312 HA TYR 40 HA TYR 40 -1.528 4.108 4.620 313 1HB TYR 40 1HB TYR 40 -4.134 2.570 4.618 314 2HB TYR 40 2HB TYR 40 -2.543 1.814 4.706 315 HD1 TYR 40 HD1 TYR 40 -0.905 3.046 6.447 316 HD2 TYR 40 HD2 TYR 40 -5.188 2.997 6.659 317 HE1 TYR 40 HE1 TYR 40 -0.780 3.574 8.861 318 HE2 TYR 40 HE2 TYR 40 -5.075 3.519 9.079 319 HH TYR 40 HH TYR 40 -3.600 3.444 10.911 320 H GLU 41 H GLU 41 -3.703 5.036 2.284 321 HA GLU 41 HA GLU 41 -3.164 3.167 0.178 322 1HB GLU 41 1HB GLU 41 -4.609 4.526 -0.975 323 2HB GLU 41 2HB GLU 41 -4.778 5.413 0.528 324 1HG GLU 41 1HG GLU 41 -2.995 6.935 -0.101 325 2HG GLU 41 2HG GLU 41 -2.658 5.971 -1.534 326 H LYS 42 H LYS 42 -1.324 5.721 1.672 327 HA LYS 42 HA LYS 42 0.683 5.435 -0.490 328 1HB LYS 42 1HB LYS 42 -0.080 7.720 -0.398 329 2HB LYS 42 2HB LYS 42 0.084 7.761 1.357 330 1HG LYS 42 1HG LYS 42 1.964 8.868 0.002 331 2HG LYS 42 2HG LYS 42 2.460 7.712 1.239 332 1HD LYS 42 1HD LYS 42 3.704 7.197 -0.758 333 2HD LYS 42 2HD LYS 42 2.487 5.943 -0.558 334 1HE LYS 42 1HE LYS 42 1.203 7.956 -2.034 335 2HE LYS 42 2HE LYS 42 2.819 7.857 -2.728 336 1HZ LYS 42 1HZ LYS 42 1.184 5.446 -2.222 337 2HZ LYS 42 2HZ LYS 42 1.071 6.312 -3.673 338 3HZ LYS 42 3HZ LYS 42 2.542 5.602 -3.226 339 H LYS 43 H LYS 43 0.212 5.765 3.018 340 HA LYS 43 HA LYS 43 2.786 5.580 4.017 341 1HB LYS 43 1HB LYS 43 0.151 4.834 4.978 342 2HB LYS 43 2HB LYS 43 1.392 3.739 5.597 343 1HG LYS 43 1HG LYS 43 1.605 6.767 5.707 344 2HG LYS 43 2HG LYS 43 0.980 5.786 7.031 345 1HD LYS 43 1HD LYS 43 3.246 4.443 6.637 346 2HD LYS 43 2HD LYS 43 3.772 5.992 5.976 347 1HE LYS 43 1HE LYS 43 2.457 5.708 8.690 348 2HE LYS 43 2HE LYS 43 4.206 5.692 8.457 349 1HZ LYS 43 1HZ LYS 43 3.092 7.866 7.059 350 2HZ LYS 43 2HZ LYS 43 2.535 7.905 8.660 351 3HZ LYS 43 3HZ LYS 43 4.203 7.887 8.343 352 H LEU 44 H LEU 44 0.838 2.909 2.722 353 HA LEU 44 HA LEU 44 2.982 0.993 3.283 354 1HB LEU 44 1HB LEU 44 1.194 -0.326 3.478 355 2HB LEU 44 2HB LEU 44 0.146 0.968 2.906 356 HG LEU 44 HG LEU 44 0.950 0.295 0.566 357 1HD1 LEU 44 1HD1 LEU 44 -0.826 -1.456 2.270 358 2HD1 LEU 44 2HD1 LEU 44 -1.314 0.000 1.406 359 3HD1 LEU 44 3HD1 LEU 44 -0.835 -1.440 0.505 360 1HD2 LEU 44 1HD2 LEU 44 2.283 -1.643 2.279 361 2HD2 LEU 44 2HD2 LEU 44 1.169 -2.472 1.181 362 3HD2 LEU 44 3HD2 LEU 44 2.438 -1.433 0.527 363 H LEU 45 H LEU 45 1.799 2.946 0.686 364 HA LEU 45 HA LEU 45 2.918 1.435 -1.486 365 1HB LEU 45 1HB LEU 45 1.695 4.059 -1.106 366 2HB LEU 45 2HB LEU 45 2.892 4.025 -2.374 367 HG LEU 45 HG LEU 45 1.721 1.967 -3.239 368 1HD1 LEU 45 1HD1 LEU 45 0.186 2.606 -0.844 369 2HD1 LEU 45 2HD1 LEU 45 -0.734 2.157 -2.268 370 3HD1 LEU 45 3HD1 LEU 45 0.463 1.052 -1.626 371 1HD2 LEU 45 1HD2 LEU 45 1.314 4.310 -4.120 372 2HD2 LEU 45 2HD2 LEU 45 -0.023 3.184 -4.351 373 3HD2 LEU 45 3HD2 LEU 45 -0.087 4.372 -3.050 374 H LYS 46 H LYS 46 4.291 3.575 0.888 375 HA LYS 46 HA LYS 46 6.662 4.311 -0.603 376 1HB LYS 46 1HB LYS 46 6.164 4.070 2.387 377 2HB LYS 46 2HB LYS 46 7.629 4.751 1.680 378 1HG LYS 46 1HG LYS 46 5.922 6.262 0.350 379 2HG LYS 46 2HG LYS 46 4.834 5.847 1.675 380 1HD LYS 46 1HD LYS 46 6.449 6.694 3.307 381 2HD LYS 46 2HD LYS 46 7.607 7.029 2.020 382 1HE LYS 46 1HE LYS 46 6.599 9.124 2.366 383 2HE LYS 46 2HE LYS 46 5.688 8.475 1.001 384 1HZ LYS 46 1HZ LYS 46 4.837 8.114 3.815 385 2HZ LYS 46 2HZ LYS 46 4.333 9.430 2.866 386 3HZ LYS 46 3HZ LYS 46 3.926 7.849 2.406 387 H LEU 47 H LEU 47 5.596 1.592 1.262 388 HA LEU 47 HA LEU 47 8.216 0.196 1.027 389 1HB LEU 47 1HB LEU 47 5.649 -0.750 2.317 390 2HB LEU 47 2HB LEU 47 7.266 -1.392 2.583 391 HG LEU 47 HG LEU 47 6.697 1.495 3.179 392 1HD1 LEU 47 1HD1 LEU 47 8.830 -0.423 3.574 393 2HD1 LEU 47 2HD1 LEU 47 8.845 1.319 3.847 394 3HD1 LEU 47 3HD1 LEU 47 8.305 0.231 5.125 395 1HD2 LEU 47 1HD2 LEU 47 5.306 -0.707 4.358 396 2HD2 LEU 47 2HD2 LEU 47 6.453 -0.094 5.553 397 3HD2 LEU 47 3HD2 LEU 47 5.259 0.991 4.842 398 H ARG 48 H ARG 48 5.689 0.764 -0.897 399 HA ARG 48 HA ARG 48 5.802 -1.904 -2.217 400 1HB ARG 48 1HB ARG 48 3.808 -2.043 -0.939 401 2HB ARG 48 2HB ARG 48 3.389 -0.365 -1.257 402 1HG ARG 48 1HG ARG 48 3.644 -2.168 -3.604 403 2HG ARG 48 2HG ARG 48 2.243 -2.390 -2.567 404 1HD ARG 48 1HD ARG 48 2.745 0.432 -3.024 405 2HD ARG 48 2HD ARG 48 2.594 -0.408 -4.556 406 HE ARG 48 HE ARG 48 0.357 0.385 -3.357 407 1HH1 ARG 48 1HH1 ARG 48 0.606 -1.712 -1.225 408 2HH1 ARG 48 2HH1 ARG 48 -0.319 -3.018 -1.886 409 1HH2 ARG 48 1HH2 ARG 48 -0.331 -1.729 -5.106 410 2HH2 ARG 48 2HH2 ARG 48 -0.861 -3.021 -4.082 411 H GLU 49 H GLU 49 6.603 1.166 -2.658 412 HA GLU 49 HA GLU 49 5.211 1.660 -5.206 413 1HB GLU 49 1HB GLU 49 7.011 3.181 -3.397 414 2HB GLU 49 2HB GLU 49 7.179 3.539 -5.116 415 1HG GLU 49 1HG GLU 49 4.702 3.876 -5.234 416 2HG GLU 49 2HG GLU 49 4.621 3.653 -3.489 417 H GLN 50 H GLN 50 6.307 -0.638 -5.676 418 HA GLN 50 HA GLN 50 7.985 -1.857 -6.808 419 1HB GLN 50 1HB GLN 50 8.476 -0.932 -8.970 420 2HB GLN 50 2HB GLN 50 6.839 -0.418 -8.560 421 1HG GLN 50 1HG GLN 50 7.581 1.777 -7.959 422 2HG GLN 50 2HG GLN 50 9.275 1.287 -7.989 423 2HE2 GLN 50 2HE2 GLN 50 9.275 3.254 -9.599 424 1HE2 GLN 50 1HE2 GLN 50 8.982 2.886 -11.231 425 H GLY 51 H GLY 51 8.935 -0.294 -4.501 426 1HA GLY 51 1HA GLY 51 11.664 -0.707 -4.573 427 2HA GLY 51 2HA GLY 51 10.938 0.579 -3.608 428 H THR 52 H THR 52 13.492 0.510 -5.178 429 HA THR 52 HA THR 52 13.183 2.154 -7.519 430 HB THR 52 HB THR 52 13.843 3.574 -4.921 431 HG1 THR 52 HG1 THR 52 11.744 3.780 -5.215 432 1HG2 THR 52 1HG2 THR 52 14.985 4.000 -7.481 433 2HG2 THR 52 2HG2 THR 52 13.804 5.285 -7.234 434 3HG2 THR 52 3HG2 THR 52 15.102 5.046 -6.066 435 H GLU 53 H GLU 53 15.456 1.787 -4.731 436 HA GLU 53 HA GLU 53 17.576 1.251 -6.767 437 1HB GLU 53 1HB GLU 53 19.183 2.119 -5.116 438 2HB GLU 53 2HB GLU 53 17.939 3.325 -5.456 439 1HG GLU 53 1HG GLU 53 17.135 1.547 -3.295 440 2HG GLU 53 2HG GLU 53 18.661 2.352 -2.931 441 H SER 54 H SER 54 19.093 0.532 -4.032 442 HA SER 54 HA SER 54 17.885 -2.173 -3.724 443 1HB SER 54 1HB SER 54 20.809 -1.538 -4.218 444 2HB SER 54 2HB SER 54 20.213 -3.117 -3.708 445 HG SER 54 HG SER 54 20.361 -2.175 -6.151 446 H ARG 55 H ARG 55 17.535 -0.040 -1.934 447 HA ARG 55 HA ARG 55 19.036 -1.086 0.415 448 1HB ARG 55 1HB ARG 55 20.188 0.975 -0.303 449 2HB ARG 55 2HB ARG 55 18.660 1.854 -0.236 450 1HG ARG 55 1HG ARG 55 18.588 1.833 2.081 451 2HG ARG 55 2HG ARG 55 19.528 0.346 2.200 452 1HD ARG 55 1HD ARG 55 20.554 3.126 1.543 453 2HD ARG 55 2HD ARG 55 20.940 2.147 2.964 454 HE ARG 55 HE ARG 55 21.723 0.615 0.691 455 1HH1 ARG 55 1HH1 ARG 55 22.667 3.175 2.760 456 2HH1 ARG 55 2HH1 ARG 55 24.211 3.406 2.011 457 1HH2 ARG 55 1HH2 ARG 55 23.626 1.107 -0.518 458 2HH2 ARG 55 2HH2 ARG 55 24.754 2.236 0.154 459 H SER 56 H SER 56 17.919 -0.574 2.471 460 HA SER 56 HA SER 56 15.050 0.164 2.109 461 1HB SER 56 1HB SER 56 14.563 -1.657 3.851 462 2HB SER 56 2HB SER 56 14.962 -2.216 2.227 463 HG SER 56 HG SER 56 16.184 -2.806 4.479 464 H SER 57 H SER 57 16.537 2.128 2.972 465 HA SER 57 HA SER 57 16.816 3.625 4.759 466 1HB SER 57 1HB SER 57 15.180 1.670 6.392 467 2HB SER 57 2HB SER 57 15.371 3.403 6.660 468 HG SER 57 HG SER 57 13.615 2.111 5.095 No H/Q in entry = 468 Start of MODEL 2 1 H1 ARG 1 H1 ARG 1 4.263 -7.859 -9.907 2 H2 ARG 1 H2 ARG 1 2.939 -8.134 -8.880 3 H3 ARG 1 H3 ARG 1 4.518 -8.355 -8.302 4 HA ARG 1 HA ARG 1 4.841 -10.306 -9.468 5 1HB ARG 1 1HB ARG 1 3.224 -10.662 -7.673 6 2HB ARG 1 2HB ARG 1 1.903 -10.160 -8.726 7 1HG ARG 1 1HG ARG 1 2.226 -12.684 -8.474 8 2HG ARG 1 2HG ARG 1 2.164 -12.078 -10.129 9 1HD ARG 1 1HD ARG 1 4.657 -12.028 -10.176 10 2HD ARG 1 2HD ARG 1 4.681 -12.715 -8.548 11 HE ARG 1 HE ARG 1 3.090 -14.418 -10.231 12 1HH1 ARG 1 1HH1 ARG 1 5.907 -14.412 -8.545 13 2HH1 ARG 1 2HH1 ARG 1 6.815 -15.398 -9.643 14 1HH2 ARG 1 1HH2 ARG 1 4.444 -15.235 -12.168 15 2HH2 ARG 1 2HH2 ARG 1 5.987 -15.864 -11.694 16 H GLN 2 H GLN 2 2.617 -8.128 -10.959 17 HA GLN 2 HA GLN 2 2.790 -9.751 -13.459 18 1HB GLN 2 1HB GLN 2 0.337 -8.185 -12.615 19 2HB GLN 2 2HB GLN 2 0.490 -9.267 -13.999 20 1HG GLN 2 1HG GLN 2 1.148 -10.445 -11.354 21 2HG GLN 2 2HG GLN 2 -0.550 -10.045 -11.618 22 2HE2 GLN 2 2HE2 GLN 2 -1.670 -11.143 -13.410 23 1HE2 GLN 2 1HE2 GLN 2 -1.032 -12.559 -14.099 24 H GLU 3 H GLU 3 2.295 -6.558 -11.986 25 HA GLU 3 HA GLU 3 3.903 -5.306 -14.066 26 1HB GLU 3 1HB GLU 3 0.959 -5.282 -14.229 27 2HB GLU 3 2HB GLU 3 1.703 -3.687 -14.334 28 1HG GLU 3 1HG GLU 3 2.362 -6.100 -16.051 29 2HG GLU 3 2HG GLU 3 1.528 -4.636 -16.575 30 H ASP 4 H ASP 4 4.903 -3.568 -13.147 31 HA ASP 4 HA ASP 4 5.508 -2.083 -11.386 32 1HB ASP 4 1HB ASP 4 2.621 -1.361 -11.094 33 2HB ASP 4 2HB ASP 4 4.026 -0.310 -11.244 34 H LYS 5 H LYS 5 4.249 -1.249 -9.113 35 HA LYS 5 HA LYS 5 3.484 -3.767 -7.707 36 1HB LYS 5 1HB LYS 5 5.898 -2.779 -7.308 37 2HB LYS 5 2HB LYS 5 5.046 -1.611 -6.302 38 1HG LYS 5 1HG LYS 5 5.586 -3.323 -4.783 39 2HG LYS 5 2HG LYS 5 3.928 -3.720 -5.230 40 1HD LYS 5 1HD LYS 5 4.640 -5.731 -5.955 41 2HD LYS 5 2HD LYS 5 5.620 -4.917 -7.174 42 1HE LYS 5 1HE LYS 5 7.059 -6.333 -5.801 43 2HE LYS 5 2HE LYS 5 7.431 -4.641 -5.476 44 1HZ LYS 5 1HZ LYS 5 5.971 -4.753 -3.537 45 2HZ LYS 5 2HZ LYS 5 5.688 -6.401 -3.837 46 3HZ LYS 5 3HZ LYS 5 7.246 -5.865 -3.423 47 H ASP 6 H ASP 6 3.666 -0.215 -7.203 48 HA ASP 6 HA ASP 6 1.154 -0.270 -5.649 49 1HB ASP 6 1HB ASP 6 1.494 2.099 -5.370 50 2HB ASP 6 2HB ASP 6 3.074 1.343 -5.164 51 H ASP 7 H ASP 7 0.837 -1.240 -8.309 52 HA ASP 7 HA ASP 7 -0.236 0.912 -9.962 53 1HB ASP 7 1HB ASP 7 -0.856 -0.979 -11.494 54 2HB ASP 7 2HB ASP 7 0.858 -0.920 -11.081 55 H LEU 8 H LEU 8 -1.664 -1.988 -8.375 56 HA LEU 8 HA LEU 8 -4.315 -1.536 -9.084 57 1HB LEU 8 1HB LEU 8 -4.863 -3.186 -7.653 58 2HB LEU 8 2HB LEU 8 -3.122 -3.377 -7.517 59 HG LEU 8 HG LEU 8 -3.937 -1.356 -5.644 60 1HD1 LEU 8 1HD1 LEU 8 -2.643 -4.021 -5.740 61 2HD1 LEU 8 2HD1 LEU 8 -2.046 -2.506 -5.070 62 3HD1 LEU 8 3HD1 LEU 8 -3.217 -3.467 -4.166 63 1HD2 LEU 8 1HD2 LEU 8 -5.902 -3.456 -6.043 64 2HD2 LEU 8 2HD2 LEU 8 -5.196 -3.550 -4.429 65 3HD2 LEU 8 3HD2 LEU 8 -5.972 -2.060 -4.966 66 H ASP 9 H ASP 9 -6.003 -1.017 -7.115 67 HA ASP 9 HA ASP 9 -5.604 1.865 -6.666 68 1HB ASP 9 1HB ASP 9 -7.890 -0.055 -6.335 69 2HB ASP 9 2HB ASP 9 -7.979 1.580 -5.682 70 H VAL 10 H VAL 10 -3.968 1.793 -5.000 71 HA VAL 10 HA VAL 10 -4.229 0.315 -2.559 72 HB VAL 10 HB VAL 10 -2.169 1.329 -3.517 73 1HG1 VAL 10 1HG1 VAL 10 -3.675 3.615 -3.649 74 2HG1 VAL 10 2HG1 VAL 10 -2.607 3.922 -2.278 75 3HG1 VAL 10 3HG1 VAL 10 -1.920 3.527 -3.857 76 1HG2 VAL 10 1HG2 VAL 10 -2.994 1.474 -0.717 77 2HG2 VAL 10 2HG2 VAL 10 -1.568 0.746 -1.437 78 3HG2 VAL 10 3HG2 VAL 10 -1.587 2.475 -1.132 79 H THR 11 H THR 11 -5.990 2.937 -3.737 80 HA THR 11 HA THR 11 -6.609 3.879 -0.970 81 HB THR 11 HB THR 11 -6.081 5.821 -2.123 82 HG1 THR 11 HG1 THR 11 -8.007 6.863 -2.415 83 1HG2 THR 11 1HG2 THR 11 -7.352 4.511 -4.525 84 2HG2 THR 11 2HG2 THR 11 -6.959 6.225 -4.493 85 3HG2 THR 11 3HG2 THR 11 -5.679 5.028 -4.323 86 H GLU 12 H GLU 12 -8.268 3.004 -4.041 87 HA GLU 12 HA GLU 12 -10.876 3.023 -2.783 88 1HB GLU 12 1HB GLU 12 -11.718 2.389 -4.851 89 2HB GLU 12 2HB GLU 12 -10.190 3.108 -5.346 90 1HG GLU 12 1HG GLU 12 -9.859 1.136 -6.424 91 2HG GLU 12 2HG GLU 12 -9.433 0.520 -4.826 92 H LEU 13 H LEU 13 -8.290 0.752 -3.059 93 HA LEU 13 HA LEU 13 -9.259 -1.760 -2.789 94 1HB LEU 13 1HB LEU 13 -7.306 -2.330 -1.629 95 2HB LEU 13 2HB LEU 13 -6.853 -0.779 -2.324 96 HG LEU 13 HG LEU 13 -7.933 -1.224 0.451 97 1HD1 LEU 13 1HD1 LEU 13 -5.541 -1.966 -0.096 98 2HD1 LEU 13 2HD1 LEU 13 -5.188 -0.265 -0.399 99 3HD1 LEU 13 3HD1 LEU 13 -5.692 -0.786 1.207 100 1HD2 LEU 13 1HD2 LEU 13 -6.940 1.298 -0.906 101 2HD2 LEU 13 2HD2 LEU 13 -8.604 0.969 -0.432 102 3HD2 LEU 13 3HD2 LEU 13 -7.361 1.166 0.798 103 H THR 14 H THR 14 -10.020 -3.126 -1.087 104 HA THR 14 HA THR 14 -12.014 -1.783 0.560 105 HB THR 14 HB THR 14 -12.370 -4.221 1.378 106 HG1 THR 14 HG1 THR 14 -11.460 -5.562 -0.483 107 1HG2 THR 14 1HG2 THR 14 -12.692 -3.277 -1.475 108 2HG2 THR 14 2HG2 THR 14 -13.376 -4.801 -0.905 109 3HG2 THR 14 3HG2 THR 14 -13.900 -3.277 -0.188 110 H ASN 15 H ASN 15 -12.142 -2.967 2.940 111 HA ASN 15 HA ASN 15 -9.649 -2.050 4.255 112 1HB ASN 15 1HB ASN 15 -11.148 -2.300 6.350 113 2HB ASN 15 2HB ASN 15 -11.502 -0.989 5.226 114 2HD2 ASN 15 2HD2 ASN 15 -13.350 -1.317 3.714 115 1HD2 ASN 15 1HD2 ASN 15 -14.571 -2.432 4.098 116 H GLU 16 H GLU 16 -11.957 -4.756 4.702 117 HA GLU 16 HA GLU 16 -10.249 -6.277 6.392 118 1HB GLU 16 1HB GLU 16 -12.703 -6.638 6.082 119 2HB GLU 16 2HB GLU 16 -12.363 -7.331 4.499 120 1HG GLU 16 1HG GLU 16 -10.862 -8.998 5.613 121 2HG GLU 16 2HG GLU 16 -11.381 -8.364 7.175 122 H ASP 17 H ASP 17 -9.973 -5.682 3.042 123 HA ASP 17 HA ASP 17 -8.384 -8.181 2.685 124 1HB ASP 17 1HB ASP 17 -9.832 -6.373 0.793 125 2HB ASP 17 2HB ASP 17 -8.483 -7.335 0.198 126 H LEU 18 H LEU 18 -8.033 -4.659 2.716 127 HA LEU 18 HA LEU 18 -5.388 -4.833 1.476 128 1HB LEU 18 1HB LEU 18 -5.223 -2.540 1.650 129 2HB LEU 18 2HB LEU 18 -6.958 -2.778 1.466 130 HG LEU 18 HG LEU 18 -6.988 -2.769 4.063 131 1HD1 LEU 18 1HD1 LEU 18 -4.225 -2.415 3.563 132 2HD1 LEU 18 2HD1 LEU 18 -4.830 -0.876 4.179 133 3HD1 LEU 18 3HD1 LEU 18 -5.047 -2.352 5.122 134 1HD2 LEU 18 1HD2 LEU 18 -7.680 -0.947 2.287 135 2HD2 LEU 18 2HD2 LEU 18 -7.572 -0.514 3.992 136 3HD2 LEU 18 3HD2 LEU 18 -6.254 -0.111 2.896 137 H LEU 19 H LEU 19 -6.667 -5.307 4.588 138 HA LEU 19 HA LEU 19 -4.594 -4.491 6.289 139 1HB LEU 19 1HB LEU 19 -6.364 -6.946 6.332 140 2HB LEU 19 2HB LEU 19 -5.151 -6.679 7.580 141 HG LEU 19 HG LEU 19 -7.622 -5.062 6.973 142 1HD1 LEU 19 1HD1 LEU 19 -6.336 -6.356 9.393 143 2HD1 LEU 19 2HD1 LEU 19 -7.694 -5.235 9.530 144 3HD1 LEU 19 3HD1 LEU 19 -7.890 -6.752 8.651 145 1HD2 LEU 19 1HD2 LEU 19 -5.053 -4.140 8.261 146 2HD2 LEU 19 2HD2 LEU 19 -6.077 -3.289 7.100 147 3HD2 LEU 19 3HD2 LEU 19 -6.603 -3.475 8.772 148 H ASP 20 H ASP 20 -4.853 -7.646 4.574 149 HA ASP 20 HA ASP 20 -2.306 -8.614 5.322 150 1HB ASP 20 1HB ASP 20 -4.309 -9.475 3.616 151 2HB ASP 20 2HB ASP 20 -2.983 -9.135 2.506 152 H GLN 21 H GLN 21 -3.267 -6.332 2.816 153 HA GLN 21 HA GLN 21 -0.807 -6.063 1.462 154 1HB GLN 21 1HB GLN 21 -3.356 -4.884 1.422 155 2HB GLN 21 2HB GLN 21 -2.260 -3.545 1.692 156 1HG GLN 21 1HG GLN 21 -1.820 -5.595 -0.469 157 2HG GLN 21 2HG GLN 21 -2.748 -4.136 -0.725 158 2HE2 GLN 21 2HE2 GLN 21 -1.434 -2.601 -1.743 159 1HE2 GLN 21 1HE2 GLN 21 0.205 -2.362 -1.388 160 H LEU 22 H LEU 22 -1.955 -4.518 4.443 161 HA LEU 22 HA LEU 22 0.577 -2.995 4.590 162 1HB LEU 22 1HB LEU 22 -2.062 -2.884 5.998 163 2HB LEU 22 2HB LEU 22 -0.643 -2.398 6.921 164 HG LEU 22 HG LEU 22 -0.222 -1.118 4.546 165 1HD1 LEU 22 1HD1 LEU 22 -2.476 -1.805 3.742 166 2HD1 LEU 22 2HD1 LEU 22 -3.189 -1.001 5.143 167 3HD1 LEU 22 3HD1 LEU 22 -2.346 -0.057 3.913 168 1HD2 LEU 22 1HD2 LEU 22 -0.556 -0.406 7.166 169 2HD2 LEU 22 2HD2 LEU 22 -0.313 0.746 5.864 170 3HD2 LEU 22 3HD2 LEU 22 -1.942 0.378 6.422 171 H VAL 23 H VAL 23 -1.273 -5.049 6.847 172 HA VAL 23 HA VAL 23 0.641 -5.635 8.715 173 HB VAL 23 HB VAL 23 -1.325 -7.615 7.524 174 1HG1 VAL 23 1HG1 VAL 23 0.298 -7.582 10.073 175 2HG1 VAL 23 2HG1 VAL 23 -1.150 -8.574 9.894 176 3HG1 VAL 23 3HG1 VAL 23 0.236 -8.840 8.837 177 1HG2 VAL 23 1HG2 VAL 23 -2.226 -5.391 8.465 178 2HG2 VAL 23 2HG2 VAL 23 -2.913 -6.873 9.122 179 3HG2 VAL 23 3HG2 VAL 23 -1.693 -5.986 10.037 180 H LYS 24 H LYS 24 0.828 -6.698 5.339 181 HA LYS 24 HA LYS 24 2.789 -8.688 6.323 182 1HB LYS 24 1HB LYS 24 2.643 -9.813 4.213 183 2HB LYS 24 2HB LYS 24 0.994 -9.361 4.633 184 1HG LYS 24 1HG LYS 24 0.874 -8.315 2.655 185 2HG LYS 24 2HG LYS 24 1.991 -7.120 3.301 186 1HD LYS 24 1HD LYS 24 2.601 -9.587 1.634 187 2HD LYS 24 2HD LYS 24 2.946 -7.912 1.235 188 1HE LYS 24 1HE LYS 24 4.693 -7.808 2.944 189 2HE LYS 24 2HE LYS 24 4.277 -9.428 3.508 190 1HZ LYS 24 1HZ LYS 24 4.803 -10.235 1.247 191 2HZ LYS 24 2HZ LYS 24 5.373 -8.685 0.861 192 3HZ LYS 24 3HZ LYS 24 6.140 -9.592 2.076 193 H TYR 25 H TYR 25 2.684 -5.800 4.344 194 HA TYR 25 HA TYR 25 5.399 -6.110 3.417 195 1HB TYR 25 1HB TYR 25 3.372 -3.932 3.481 196 2HB TYR 25 2HB TYR 25 5.063 -3.445 3.377 197 HD1 TYR 25 HD1 TYR 25 6.490 -4.237 1.513 198 HD2 TYR 25 HD2 TYR 25 2.282 -5.072 1.673 199 HE1 TYR 25 HE1 TYR 25 6.534 -4.884 -0.886 200 HE2 TYR 25 HE2 TYR 25 2.313 -5.705 -0.733 201 HH TYR 25 HH TYR 25 4.254 -4.904 -2.816 202 H GLY 26 H GLY 26 4.167 -5.790 6.486 203 1HA GLY 26 1HA GLY 26 6.729 -4.656 7.454 204 2HA GLY 26 2HA GLY 26 5.619 -5.659 8.406 205 H VAL 27 H VAL 27 3.272 -4.282 7.282 206 HA VAL 27 HA VAL 27 3.614 -1.610 8.637 207 HB VAL 27 HB VAL 27 1.561 -2.279 6.510 208 1HG1 VAL 27 1HG1 VAL 27 1.009 -0.422 8.039 209 2HG1 VAL 27 2HG1 VAL 27 2.563 0.335 7.681 210 3HG1 VAL 27 3HG1 VAL 27 1.350 0.185 6.410 211 1HG2 VAL 27 1HG2 VAL 27 4.229 -2.185 5.995 212 2HG2 VAL 27 2HG2 VAL 27 3.001 -1.635 4.845 213 3HG2 VAL 27 3HG2 VAL 27 3.829 -0.472 5.886 214 H ASN 28 H ASN 28 2.316 -1.191 10.363 215 HA ASN 28 HA ASN 28 -0.039 -2.988 10.759 216 1HB ASN 28 1HB ASN 28 1.543 -3.749 12.350 217 2HB ASN 28 2HB ASN 28 2.052 -2.108 12.750 218 2HD2 ASN 28 2HD2 ASN 28 -1.365 -2.986 12.360 219 1HD2 ASN 28 1HD2 ASN 28 -1.780 -2.803 13.996 220 HA PRO 29 HA PRO 29 -1.577 1.292 10.834 221 1HB PRO 29 1HB PRO 29 -3.921 0.597 9.515 222 2HB PRO 29 2HB PRO 29 -2.442 1.114 8.711 223 1HG PRO 29 1HG PRO 29 -3.652 -1.575 8.898 224 2HG PRO 29 2HG PRO 29 -2.490 -0.917 7.716 225 1HD PRO 29 1HD PRO 29 -1.875 -2.630 9.904 226 2HD PRO 29 2HD PRO 29 -0.722 -1.821 8.853 227 H GLY 30 H GLY 30 -3.642 -1.629 11.355 228 1HA GLY 30 1HA GLY 30 -4.473 -0.433 13.938 229 2HA GLY 30 2HA GLY 30 -4.690 -2.116 13.473 230 HA PRO 31 HA PRO 31 -8.705 0.021 12.724 231 1HB PRO 31 1HB PRO 31 -8.822 2.725 13.157 232 2HB PRO 31 2HB PRO 31 -8.921 1.526 14.446 233 1HG PRO 31 1HG PRO 31 -6.713 3.368 13.715 234 2HG PRO 31 2HG PRO 31 -7.034 2.567 15.261 235 1HD PRO 31 1HD PRO 31 -5.128 1.809 13.266 236 2HD PRO 31 2HD PRO 31 -5.536 0.894 14.728 237 H ILE 32 H ILE 32 -8.567 -0.369 10.440 238 HA ILE 32 HA ILE 32 -7.657 1.839 8.692 239 HB ILE 32 HB ILE 32 -8.888 -0.843 7.988 240 1HG1 ILE 32 1HG1 ILE 32 -6.457 -0.554 9.139 241 2HG1 ILE 32 2HG1 ILE 32 -6.796 -1.765 7.913 242 1HG2 ILE 32 1HG2 ILE 32 -7.984 1.513 6.438 243 2HG2 ILE 32 2HG2 ILE 32 -7.553 -0.069 5.788 244 3HG2 ILE 32 3HG2 ILE 32 -9.245 0.339 6.072 245 1HD1 ILE 32 1HD1 ILE 32 -5.900 0.968 7.060 246 2HD1 ILE 32 2HD1 ILE 32 -4.710 -0.209 7.620 247 3HD1 ILE 32 3HD1 ILE 32 -5.726 -0.577 6.225 248 H VAL 33 H VAL 33 -9.659 2.792 10.150 249 HA VAL 33 HA VAL 33 -12.327 2.392 9.431 250 HB VAL 33 HB VAL 33 -12.448 5.016 9.767 251 1HG1 VAL 33 1HG1 VAL 33 -12.433 2.750 11.469 252 2HG1 VAL 33 2HG1 VAL 33 -11.490 3.995 12.288 253 3HG1 VAL 33 3HG1 VAL 33 -13.149 4.329 11.794 254 1HG2 VAL 33 1HG2 VAL 33 -9.747 4.838 9.528 255 2HG2 VAL 33 2HG2 VAL 33 -10.552 6.090 10.474 256 3HG2 VAL 33 3HG2 VAL 33 -9.915 4.657 11.276 257 H GLY 34 H GLY 34 -13.613 4.150 8.053 258 1HA GLY 34 1HA GLY 34 -14.125 4.784 5.848 259 2HA GLY 34 2HA GLY 34 -12.754 3.808 5.323 260 H THR 35 H THR 35 -11.725 5.939 7.677 261 HA THR 35 HA THR 35 -11.097 8.087 5.721 262 HB THR 35 HB THR 35 -10.220 8.882 8.261 263 HG1 THR 35 HG1 THR 35 -12.289 8.539 9.385 264 1HG2 THR 35 1HG2 THR 35 -11.410 10.169 6.415 265 2HG2 THR 35 2HG2 THR 35 -12.916 9.491 7.033 266 3HG2 THR 35 3HG2 THR 35 -11.935 10.539 8.057 267 H THR 36 H THR 36 -9.718 5.316 6.804 268 HA THR 36 HA THR 36 -7.004 6.507 6.986 269 HB THR 36 HB THR 36 -6.439 4.071 7.691 270 HG1 THR 36 HG1 THR 36 -8.439 3.190 7.082 271 1HG2 THR 36 1HG2 THR 36 -8.172 5.934 9.329 272 2HG2 THR 36 2HG2 THR 36 -7.175 4.638 10.003 273 3HG2 THR 36 3HG2 THR 36 -6.416 6.008 9.173 274 H ARG 37 H ARG 37 -8.592 3.721 5.312 275 HA ARG 37 HA ARG 37 -6.636 2.784 3.722 276 1HB ARG 37 1HB ARG 37 -9.241 3.706 2.508 277 2HB ARG 37 2HB ARG 37 -8.152 2.512 1.829 278 1HG ARG 37 1HG ARG 37 -9.516 1.035 2.884 279 2HG ARG 37 2HG ARG 37 -8.505 1.420 4.281 280 1HD ARG 37 1HD ARG 37 -11.362 1.935 3.945 281 2HD ARG 37 2HD ARG 37 -10.380 2.247 5.368 282 HE ARG 37 HE ARG 37 -9.918 4.502 4.483 283 1HH1 ARG 37 1HH1 ARG 37 -10.329 5.883 2.622 284 2HH1 ARG 37 2HH1 ARG 37 -11.911 5.798 1.922 285 1HH2 ARG 37 1HH2 ARG 37 -12.838 2.961 3.676 286 2HH2 ARG 37 2HH2 ARG 37 -13.324 4.148 2.515 287 H LYS 38 H LYS 38 -8.068 6.023 3.159 288 HA LYS 38 HA LYS 38 -6.531 6.648 0.837 289 1HB LYS 38 1HB LYS 38 -7.665 8.386 3.047 290 2HB LYS 38 2HB LYS 38 -6.862 9.049 1.623 291 1HG LYS 38 1HG LYS 38 -8.707 7.148 0.649 292 2HG LYS 38 2HG LYS 38 -9.568 8.061 1.887 293 1HD LYS 38 1HD LYS 38 -9.325 10.083 0.755 294 2HD LYS 38 2HD LYS 38 -7.889 9.540 -0.112 295 1HE LYS 38 1HE LYS 38 -9.295 7.985 -1.439 296 2HE LYS 38 2HE LYS 38 -10.725 8.574 -0.592 297 1HZ LYS 38 1HZ LYS 38 -9.735 10.871 -1.393 298 2HZ LYS 38 2HZ LYS 38 -9.088 9.892 -2.618 299 3HZ LYS 38 3HZ LYS 38 -10.768 9.946 -2.374 300 H LEU 39 H LEU 39 -5.976 7.450 4.264 301 HA LEU 39 HA LEU 39 -3.392 8.538 4.079 302 1HB LEU 39 1HB LEU 39 -5.080 8.013 6.148 303 2HB LEU 39 2HB LEU 39 -3.951 6.681 6.345 304 HG LEU 39 HG LEU 39 -3.168 9.593 6.208 305 1HD1 LEU 39 1HD1 LEU 39 -3.273 7.638 8.528 306 2HD1 LEU 39 2HD1 LEU 39 -2.631 9.279 8.611 307 3HD1 LEU 39 3HD1 LEU 39 -4.349 9.016 8.300 308 1HD2 LEU 39 1HD2 LEU 39 -1.643 7.007 6.610 309 2HD2 LEU 39 2HD2 LEU 39 -1.389 8.207 5.343 310 3HD2 LEU 39 3HD2 LEU 39 -0.963 8.584 7.015 311 H TYR 40 H TYR 40 -4.133 5.157 4.945 312 HA TYR 40 HA TYR 40 -1.444 4.260 4.678 313 1HB TYR 40 1HB TYR 40 -4.106 2.823 4.623 314 2HB TYR 40 2HB TYR 40 -2.564 1.974 4.608 315 HD1 TYR 40 HD1 TYR 40 -0.803 2.877 6.413 316 HD2 TYR 40 HD2 TYR 40 -5.072 3.272 6.693 317 HE1 TYR 40 HE1 TYR 40 -0.614 3.181 8.863 318 HE2 TYR 40 HE2 TYR 40 -4.882 3.587 9.144 319 HH TYR 40 HH TYR 40 -2.944 2.781 10.956 320 H GLU 41 H GLU 41 -3.736 5.115 2.325 321 HA GLU 41 HA GLU 41 -3.099 3.367 0.173 322 1HB GLU 41 1HB GLU 41 -4.492 4.742 -1.010 323 2HB GLU 41 2HB GLU 41 -4.764 5.547 0.528 324 1HG GLU 41 1HG GLU 41 -3.027 7.170 0.056 325 2HG GLU 41 2HG GLU 41 -2.556 6.277 -1.386 326 H LYS 42 H LYS 42 -1.241 5.815 1.756 327 HA LYS 42 HA LYS 42 0.749 5.614 -0.438 328 1HB LYS 42 1HB LYS 42 0.091 7.903 -0.242 329 2HB LYS 42 2HB LYS 42 0.103 7.841 1.517 330 1HG LYS 42 1HG LYS 42 2.101 8.998 0.378 331 2HG LYS 42 2HG LYS 42 2.470 7.796 1.613 332 1HD LYS 42 1HD LYS 42 3.906 7.321 -0.244 333 2HD LYS 42 2HD LYS 42 2.644 6.098 -0.262 334 1HE LYS 42 1HE LYS 42 1.588 8.201 -1.768 335 2HE LYS 42 2HE LYS 42 3.276 8.102 -2.267 336 1HZ LYS 42 1HZ LYS 42 1.465 5.759 -2.105 337 2HZ LYS 42 2HZ LYS 42 1.743 6.633 -3.532 338 3HZ LYS 42 3HZ LYS 42 3.019 5.805 -2.779 339 H LYS 43 H LYS 43 0.360 5.945 3.107 340 HA LYS 43 HA LYS 43 2.900 5.538 4.073 341 1HB LYS 43 1HB LYS 43 0.348 5.237 5.145 342 2HB LYS 43 2HB LYS 43 1.118 3.661 5.387 343 1HG LYS 43 1HG LYS 43 1.803 4.842 7.282 344 2HG LYS 43 2HG LYS 43 3.157 5.059 6.192 345 1HD LYS 43 1HD LYS 43 2.297 7.261 5.529 346 2HD LYS 43 2HD LYS 43 0.883 7.032 6.559 347 1HE LYS 43 1HE LYS 43 3.764 7.130 7.509 348 2HE LYS 43 2HE LYS 43 2.579 8.422 7.691 349 1HZ LYS 43 1HZ LYS 43 1.220 6.441 8.760 350 2HZ LYS 43 2HZ LYS 43 2.786 5.879 9.101 351 3HZ LYS 43 3HZ LYS 43 2.290 7.396 9.670 352 H LEU 44 H LEU 44 0.770 2.941 2.871 353 HA LEU 44 HA LEU 44 2.877 0.954 3.250 354 1HB LEU 44 1HB LEU 44 1.034 -0.305 3.449 355 2HB LEU 44 2HB LEU 44 0.027 1.047 2.936 356 HG LEU 44 HG LEU 44 0.729 0.438 0.564 357 1HD1 LEU 44 1HD1 LEU 44 -1.087 -1.080 2.391 358 2HD1 LEU 44 2HD1 LEU 44 -1.500 0.056 1.106 359 3HD1 LEU 44 3HD1 LEU 44 -0.955 -1.580 0.703 360 1HD2 LEU 44 1HD2 LEU 44 2.153 -1.531 2.141 361 2HD2 LEU 44 2HD2 LEU 44 0.998 -2.349 1.083 362 3HD2 LEU 44 3HD2 LEU 44 2.216 -1.278 0.391 363 H LEU 45 H LEU 45 1.290 2.687 0.642 364 HA LEU 45 HA LEU 45 2.361 1.426 -1.627 365 1HB LEU 45 1HB LEU 45 1.024 3.837 -1.111 366 2HB LEU 45 2HB LEU 45 2.510 4.293 -1.881 367 HG LEU 45 HG LEU 45 1.885 2.358 -3.556 368 1HD1 LEU 45 1HD1 LEU 45 -0.033 1.690 -2.197 369 2HD1 LEU 45 2HD1 LEU 45 -0.721 3.267 -2.504 370 3HD1 LEU 45 3HD1 LEU 45 -0.476 2.156 -3.841 371 1HD2 LEU 45 1HD2 LEU 45 0.539 5.062 -3.480 372 2HD2 LEU 45 2HD2 LEU 45 2.135 4.733 -4.161 373 3HD2 LEU 45 3HD2 LEU 45 0.693 4.055 -4.923 374 H LYS 46 H LYS 46 3.963 3.509 0.707 375 HA LYS 46 HA LYS 46 6.203 4.139 -0.970 376 1HB LYS 46 1HB LYS 46 5.411 5.132 1.374 377 2HB LYS 46 2HB LYS 46 6.536 3.927 1.999 378 1HG LYS 46 1HG LYS 46 7.926 5.791 1.705 379 2HG LYS 46 2HG LYS 46 8.172 4.905 0.200 380 1HD LYS 46 1HD LYS 46 7.214 6.543 -1.037 381 2HD LYS 46 2HD LYS 46 5.868 6.715 0.090 382 1HE LYS 46 1HE LYS 46 8.626 7.773 0.730 383 2HE LYS 46 2HE LYS 46 7.441 8.738 -0.152 384 1HZ LYS 46 1HZ LYS 46 6.460 7.449 2.251 385 2HZ LYS 46 2HZ LYS 46 7.619 8.665 2.508 386 3HZ LYS 46 3HZ LYS 46 6.188 9.023 1.670 387 H LEU 47 H LEU 47 5.680 1.717 1.567 388 HA LEU 47 HA LEU 47 8.216 0.380 1.234 389 1HB LEU 47 1HB LEU 47 5.574 -0.666 2.280 390 2HB LEU 47 2HB LEU 47 7.147 -1.407 2.556 391 HG LEU 47 HG LEU 47 6.726 1.457 3.337 392 1HD1 LEU 47 1HD1 LEU 47 8.503 -0.846 4.055 393 2HD1 LEU 47 2HD1 LEU 47 8.927 0.836 3.740 394 3HD1 LEU 47 3HD1 LEU 47 8.194 0.386 5.279 395 1HD2 LEU 47 1HD2 LEU 47 5.164 -0.760 4.312 396 2HD2 LEU 47 2HD2 LEU 47 6.231 -0.195 5.598 397 3HD2 LEU 47 3HD2 LEU 47 5.113 0.929 4.826 398 H ARG 48 H ARG 48 5.479 0.566 -0.731 399 HA ARG 48 HA ARG 48 6.209 -1.981 -2.116 400 1HB ARG 48 1HB ARG 48 4.158 -2.559 -1.215 401 2HB ARG 48 2HB ARG 48 3.604 -0.895 -1.142 402 1HG ARG 48 1HG ARG 48 3.942 -2.310 -3.778 403 2HG ARG 48 2HG ARG 48 2.461 -2.466 -2.836 404 1HD ARG 48 1HD ARG 48 3.376 0.313 -3.068 405 2HD ARG 48 2HD ARG 48 3.001 -0.414 -4.627 406 HE ARG 48 HE ARG 48 1.065 0.510 -2.852 407 1HH1 ARG 48 1HH1 ARG 48 1.850 -2.269 -4.735 408 2HH1 ARG 48 2HH1 ARG 48 0.256 -2.937 -4.661 409 1HH2 ARG 48 1HH2 ARG 48 -0.995 -0.429 -2.642 410 2HH2 ARG 48 2HH2 ARG 48 -1.347 -1.900 -3.476 411 H GLU 49 H GLU 49 6.419 1.245 -2.448 412 HA GLU 49 HA GLU 49 5.273 1.548 -5.101 413 1HB GLU 49 1HB GLU 49 5.123 3.491 -3.784 414 2HB GLU 49 2HB GLU 49 6.758 3.301 -3.150 415 1HG GLU 49 1HG GLU 49 7.711 4.259 -4.957 416 2HG GLU 49 2HG GLU 49 6.532 3.568 -6.070 417 H GLN 50 H GLN 50 6.665 -0.352 -5.748 418 HA GLN 50 HA GLN 50 9.491 -0.185 -6.026 419 1HB GLN 50 1HB GLN 50 8.426 -2.313 -6.295 420 2HB GLN 50 2HB GLN 50 7.339 -1.687 -7.532 421 1HG GLN 50 1HG GLN 50 9.880 -1.185 -8.583 422 2HG GLN 50 2HG GLN 50 10.046 -2.763 -7.815 423 2HE2 GLN 50 2HE2 GLN 50 9.939 -4.119 -9.661 424 1HE2 GLN 50 1HE2 GLN 50 8.607 -4.168 -10.713 425 H GLY 51 H GLY 51 10.776 0.584 -7.721 426 1HA GLY 51 1HA GLY 51 10.174 1.263 -10.312 427 2HA GLY 51 2HA GLY 51 11.340 2.181 -9.363 428 H THR 52 H THR 52 10.780 4.240 -8.682 429 HA THR 52 HA THR 52 8.441 5.442 -9.940 430 HB THR 52 HB THR 52 7.947 6.367 -7.412 431 HG1 THR 52 HG1 THR 52 8.491 3.602 -7.161 432 1HG2 THR 52 1HG2 THR 52 6.757 3.910 -8.741 433 2HG2 THR 52 2HG2 THR 52 6.022 4.781 -7.397 434 3HG2 THR 52 3HG2 THR 52 6.221 5.578 -8.954 435 H GLU 53 H GLU 53 9.027 7.537 -10.466 436 HA GLU 53 HA GLU 53 11.610 8.548 -9.672 437 1HB GLU 53 1HB GLU 53 10.921 10.591 -10.898 438 2HB GLU 53 2HB GLU 53 10.606 9.134 -11.839 439 1HG GLU 53 1HG GLU 53 8.246 9.231 -10.703 440 2HG GLU 53 2HG GLU 53 8.655 10.922 -10.411 441 H SER 54 H SER 54 8.324 9.039 -8.521 442 HA SER 54 HA SER 54 7.628 9.962 -6.463 443 1HB SER 54 1HB SER 54 10.076 9.209 -5.804 444 2HB SER 54 2HB SER 54 10.404 10.941 -5.882 445 HG SER 54 HG SER 54 8.333 9.720 -4.379 446 H ARG 55 H ARG 55 7.204 11.407 -8.704 447 HA ARG 55 HA ARG 55 8.223 14.153 -8.145 448 1HB ARG 55 1HB ARG 55 7.221 12.739 -10.575 449 2HB ARG 55 2HB ARG 55 6.907 14.471 -10.456 450 1HG ARG 55 1HG ARG 55 9.646 13.236 -10.059 451 2HG ARG 55 2HG ARG 55 9.084 13.882 -11.600 452 1HD ARG 55 1HD ARG 55 9.308 15.428 -8.994 453 2HD ARG 55 2HD ARG 55 10.391 15.579 -10.384 454 HE ARG 55 HE ARG 55 7.710 16.057 -11.299 455 1HH1 ARG 55 1HH1 ARG 55 8.295 18.198 -12.345 456 2HH1 ARG 55 2HH1 ARG 55 8.592 19.479 -11.217 457 1HH2 ARG 55 1HH2 ARG 55 8.903 17.363 -8.487 458 2HH2 ARG 55 2HH2 ARG 55 8.937 19.006 -9.033 459 H SER 56 H SER 56 6.707 14.213 -6.252 460 HA SER 56 HA SER 56 3.833 14.281 -6.878 461 1HB SER 56 1HB SER 56 4.218 15.332 -4.310 462 2HB SER 56 2HB SER 56 3.791 13.667 -4.706 463 HG SER 56 HG SER 56 5.675 13.739 -3.457 464 H SER 57 H SER 57 4.544 16.108 -8.517 465 HA SER 57 HA SER 57 4.870 18.741 -7.231 466 1HB SER 57 1HB SER 57 4.333 18.384 -10.162 467 2HB SER 57 2HB SER 57 5.369 19.561 -9.354 468 HG SER 57 HG SER 57 6.597 17.563 -8.710 No H/Q in entry = 468 Start of MODEL 3 1 H1 ARG 1 H1 ARG 1 10.658 -0.574 -13.092 2 H2 ARG 1 H2 ARG 1 11.898 -0.937 -14.196 3 H3 ARG 1 H3 ARG 1 11.630 0.669 -13.721 4 HA ARG 1 HA ARG 1 9.711 0.884 -14.963 5 1HB ARG 1 1HB ARG 1 11.636 0.755 -16.448 6 2HB ARG 1 2HB ARG 1 11.568 -1.007 -16.440 7 1HG ARG 1 1HG ARG 1 10.521 -0.218 -18.481 8 2HG ARG 1 2HG ARG 1 9.258 -0.854 -17.425 9 1HD ARG 1 1HD ARG 1 8.345 1.204 -18.118 10 2HD ARG 1 2HD ARG 1 9.085 1.619 -16.567 11 HE ARG 1 HE ARG 1 11.043 2.022 -18.625 12 1HH1 ARG 1 1HH1 ARG 1 8.837 3.572 -16.620 13 2HH1 ARG 1 2HH1 ARG 1 8.761 5.037 -17.541 14 1HH2 ARG 1 1HH2 ARG 1 10.597 3.775 -20.198 15 2HH2 ARG 1 2HH2 ARG 1 9.758 5.152 -19.566 16 H GLN 2 H GLN 2 10.379 -2.361 -13.960 17 HA GLN 2 HA GLN 2 7.665 -3.185 -14.916 18 1HB GLN 2 1HB GLN 2 10.104 -4.902 -14.355 19 2HB GLN 2 2HB GLN 2 8.520 -5.515 -14.830 20 1HG GLN 2 1HG GLN 2 9.638 -3.391 -16.568 21 2HG GLN 2 2HG GLN 2 10.498 -4.931 -16.605 22 2HE2 GLN 2 2HE2 GLN 2 8.986 -3.987 -18.865 23 1HE2 GLN 2 1HE2 GLN 2 7.661 -5.024 -19.086 24 H GLU 3 H GLU 3 7.016 -5.230 -13.381 25 HA GLU 3 HA GLU 3 6.016 -5.589 -11.267 26 1HB GLU 3 1HB GLU 3 7.679 -6.061 -9.548 27 2HB GLU 3 2HB GLU 3 8.346 -6.591 -11.095 28 1HG GLU 3 1HG GLU 3 9.830 -4.787 -11.222 29 2HG GLU 3 2HG GLU 3 8.896 -3.808 -10.093 30 H ASP 4 H ASP 4 5.612 -2.959 -12.080 31 HA ASP 4 HA ASP 4 6.374 -0.777 -10.634 32 1HB ASP 4 1HB ASP 4 3.536 -1.634 -11.265 33 2HB ASP 4 2HB ASP 4 3.943 -0.035 -10.648 34 H LYS 5 H LYS 5 4.284 -3.360 -9.405 35 HA LYS 5 HA LYS 5 3.996 -4.052 -7.169 36 1HB LYS 5 1HB LYS 5 6.312 -2.648 -6.945 37 2HB LYS 5 2HB LYS 5 5.242 -1.654 -5.961 38 1HG LYS 5 1HG LYS 5 6.270 -3.336 -4.542 39 2HG LYS 5 2HG LYS 5 4.555 -3.700 -4.706 40 1HD LYS 5 1HD LYS 5 6.114 -4.936 -6.838 41 2HD LYS 5 2HD LYS 5 6.707 -5.428 -5.255 42 1HE LYS 5 1HE LYS 5 4.482 -6.181 -4.601 43 2HE LYS 5 2HE LYS 5 3.795 -5.566 -6.107 44 1HZ LYS 5 1HZ LYS 5 6.013 -7.301 -6.563 45 2HZ LYS 5 2HZ LYS 5 4.783 -8.076 -5.684 46 3HZ LYS 5 3HZ LYS 5 4.435 -7.376 -7.189 47 H ASP 6 H ASP 6 3.948 -0.441 -7.069 48 HA ASP 6 HA ASP 6 1.338 -0.545 -5.722 49 1HB ASP 6 1HB ASP 6 1.524 2.033 -6.106 50 2HB ASP 6 2HB ASP 6 2.624 1.267 -4.958 51 H ASP 7 H ASP 7 1.258 -1.728 -8.345 52 HA ASP 7 HA ASP 7 0.165 0.153 -10.245 53 1HB ASP 7 1HB ASP 7 -0.501 -1.822 -11.511 54 2HB ASP 7 2HB ASP 7 1.119 -2.088 -10.866 55 H LEU 8 H LEU 8 -1.016 -1.425 -7.435 56 HA LEU 8 HA LEU 8 -3.847 -1.343 -8.157 57 1HB LEU 8 1HB LEU 8 -2.615 -2.864 -6.393 58 2HB LEU 8 2HB LEU 8 -2.818 -1.474 -5.329 59 HG LEU 8 HG LEU 8 -5.322 -1.849 -6.565 60 1HD1 LEU 8 1HD1 LEU 8 -4.003 -4.434 -5.720 61 2HD1 LEU 8 2HD1 LEU 8 -5.755 -4.240 -5.772 62 3HD1 LEU 8 3HD1 LEU 8 -4.807 -4.082 -7.250 63 1HD2 LEU 8 1HD2 LEU 8 -4.127 -1.787 -3.933 64 2HD2 LEU 8 2HD2 LEU 8 -5.750 -1.307 -4.428 65 3HD2 LEU 8 3HD2 LEU 8 -5.419 -2.986 -4.000 66 H ASP 9 H ASP 9 -5.391 0.046 -6.900 67 HA ASP 9 HA ASP 9 -4.537 2.809 -6.906 68 1HB ASP 9 1HB ASP 9 -7.017 1.331 -6.642 69 2HB ASP 9 2HB ASP 9 -6.930 2.610 -5.430 70 H VAL 10 H VAL 10 -4.818 0.309 -4.478 71 HA VAL 10 HA VAL 10 -4.179 0.219 -2.244 72 HB VAL 10 HB VAL 10 -2.728 2.733 -2.082 73 1HG1 VAL 10 1HG1 VAL 10 -2.420 1.066 -4.535 74 2HG1 VAL 10 2HG1 VAL 10 -2.249 2.809 -4.326 75 3HG1 VAL 10 3HG1 VAL 10 -0.972 1.723 -3.778 76 1HG2 VAL 10 1HG2 VAL 10 -2.374 -0.159 -1.597 77 2HG2 VAL 10 2HG2 VAL 10 -0.896 0.706 -2.018 78 3HG2 VAL 10 3HG2 VAL 10 -1.849 1.216 -0.624 79 H THR 11 H THR 11 -6.258 2.522 -3.374 80 HA THR 11 HA THR 11 -6.760 3.473 -0.592 81 HB THR 11 HB THR 11 -6.213 5.539 -1.353 82 HG1 THR 11 HG1 THR 11 -8.520 5.564 -1.295 83 1HG2 THR 11 1HG2 THR 11 -6.596 4.388 -4.120 84 2HG2 THR 11 2HG2 THR 11 -6.248 6.094 -3.851 85 3HG2 THR 11 3HG2 THR 11 -5.089 4.867 -3.336 86 H GLU 12 H GLU 12 -8.336 3.405 -3.825 87 HA GLU 12 HA GLU 12 -10.997 3.313 -2.815 88 1HB GLU 12 1HB GLU 12 -11.654 2.609 -5.006 89 2HB GLU 12 2HB GLU 12 -10.237 3.630 -5.257 90 1HG GLU 12 1HG GLU 12 -8.819 1.568 -5.279 91 2HG GLU 12 2HG GLU 12 -10.286 0.599 -5.179 92 H LEU 13 H LEU 13 -8.484 0.958 -3.099 93 HA LEU 13 HA LEU 13 -9.722 -1.496 -3.043 94 1HB LEU 13 1HB LEU 13 -7.688 -2.284 -2.301 95 2HB LEU 13 2HB LEU 13 -7.190 -0.629 -2.636 96 HG LEU 13 HG LEU 13 -8.097 -1.699 0.034 97 1HD1 LEU 13 1HD1 LEU 13 -5.446 -1.183 -1.269 98 2HD1 LEU 13 2HD1 LEU 13 -5.594 -0.885 0.462 99 3HD1 LEU 13 3HD1 LEU 13 -5.916 -2.494 -0.187 100 1HD2 LEU 13 1HD2 LEU 13 -8.619 0.753 -0.530 101 2HD2 LEU 13 2HD2 LEU 13 -7.679 0.460 0.931 102 3HD2 LEU 13 3HD2 LEU 13 -6.874 0.999 -0.540 103 H THR 14 H THR 14 -10.229 -2.943 -1.156 104 HA THR 14 HA THR 14 -12.152 -1.549 0.545 105 HB THR 14 HB THR 14 -12.464 -3.990 1.417 106 HG1 THR 14 HG1 THR 14 -11.698 -5.289 -0.573 107 1HG2 THR 14 1HG2 THR 14 -12.995 -3.034 -1.400 108 2HG2 THR 14 2HG2 THR 14 -13.642 -4.555 -0.784 109 3HG2 THR 14 3HG2 THR 14 -14.102 -3.032 -0.025 110 H ASN 15 H ASN 15 -12.200 -2.719 2.938 111 HA ASN 15 HA ASN 15 -9.684 -1.777 4.176 112 1HB ASN 15 1HB ASN 15 -11.104 -2.069 6.322 113 2HB ASN 15 2HB ASN 15 -11.531 -0.762 5.216 114 2HD2 ASN 15 2HD2 ASN 15 -12.688 -3.676 6.702 115 1HD2 ASN 15 1HD2 ASN 15 -14.179 -3.747 5.894 116 H GLU 16 H GLU 16 -11.926 -4.515 4.719 117 HA GLU 16 HA GLU 16 -10.143 -6.021 6.324 118 1HB GLU 16 1HB GLU 16 -11.662 -7.810 6.081 119 2HB GLU 16 2HB GLU 16 -12.656 -6.368 5.898 120 1HG GLU 16 1HG GLU 16 -11.685 -6.963 3.315 121 2HG GLU 16 2HG GLU 16 -12.200 -8.501 4.006 122 H ASP 17 H ASP 17 -10.206 -5.583 2.884 123 HA ASP 17 HA ASP 17 -8.486 -7.951 2.460 124 1HB ASP 17 1HB ASP 17 -10.131 -6.197 0.759 125 2HB ASP 17 2HB ASP 17 -8.619 -6.727 0.024 126 H LEU 18 H LEU 18 -8.123 -4.443 2.689 127 HA LEU 18 HA LEU 18 -5.494 -4.571 1.409 128 1HB LEU 18 1HB LEU 18 -5.321 -2.284 1.650 129 2HB LEU 18 2HB LEU 18 -7.063 -2.504 1.509 130 HG LEU 18 HG LEU 18 -7.037 -2.572 4.098 131 1HD1 LEU 18 1HD1 LEU 18 -4.277 -2.274 3.565 132 2HD1 LEU 18 2HD1 LEU 18 -4.832 -0.745 4.246 133 3HD1 LEU 18 3HD1 LEU 18 -5.069 -2.249 5.140 134 1HD2 LEU 18 1HD2 LEU 18 -7.853 -0.710 2.566 135 2HD2 LEU 18 2HD2 LEU 18 -7.359 -0.217 4.190 136 3HD2 LEU 18 3HD2 LEU 18 -6.280 0.046 2.820 137 H LEU 19 H LEU 19 -6.733 -5.070 4.570 138 HA LEU 19 HA LEU 19 -4.565 -4.325 6.185 139 1HB LEU 19 1HB LEU 19 -6.410 -6.723 6.335 140 2HB LEU 19 2HB LEU 19 -5.178 -6.421 7.555 141 HG LEU 19 HG LEU 19 -7.637 -4.798 6.912 142 1HD1 LEU 19 1HD1 LEU 19 -6.321 -6.020 9.347 143 2HD1 LEU 19 2HD1 LEU 19 -7.612 -4.823 9.495 144 3HD1 LEU 19 3HD1 LEU 19 -7.925 -6.359 8.687 145 1HD2 LEU 19 1HD2 LEU 19 -5.043 -3.833 8.122 146 2HD2 LEU 19 2HD2 LEU 19 -6.053 -3.044 6.906 147 3HD2 LEU 19 3HD2 LEU 19 -6.584 -3.116 8.584 148 H ASP 20 H ASP 20 -5.016 -7.470 4.486 149 HA ASP 20 HA ASP 20 -2.494 -8.551 5.156 150 1HB ASP 20 1HB ASP 20 -4.569 -9.330 3.517 151 2HB ASP 20 2HB ASP 20 -3.288 -9.002 2.351 152 H GLN 21 H GLN 21 -3.408 -6.179 2.733 153 HA GLN 21 HA GLN 21 -0.930 -6.032 1.339 154 1HB GLN 21 1HB GLN 21 -3.453 -4.829 1.202 155 2HB GLN 21 2HB GLN 21 -2.369 -3.481 1.510 156 1HG GLN 21 1HG GLN 21 -1.457 -5.421 -0.545 157 2HG GLN 21 2HG GLN 21 -2.878 -4.477 -0.961 158 2HE2 GLN 21 2HE2 GLN 21 -1.937 -2.897 -2.386 159 1HE2 GLN 21 1HE2 GLN 21 -0.677 -1.876 -1.895 160 H LEU 22 H LEU 22 -2.044 -4.396 4.294 161 HA LEU 22 HA LEU 22 0.487 -2.874 4.404 162 1HB LEU 22 1HB LEU 22 -2.129 -2.767 5.828 163 2HB LEU 22 2HB LEU 22 -0.710 -2.333 6.776 164 HG LEU 22 HG LEU 22 -0.266 -1.019 4.412 165 1HD1 LEU 22 1HD1 LEU 22 -2.577 -1.623 3.684 166 2HD1 LEU 22 2HD1 LEU 22 -3.202 -0.772 5.101 167 3HD1 LEU 22 3HD1 LEU 22 -2.353 0.116 3.834 168 1HD2 LEU 22 1HD2 LEU 22 -0.511 -0.356 7.056 169 2HD2 LEU 22 2HD2 LEU 22 -0.234 0.809 5.778 170 3HD2 LEU 22 3HD2 LEU 22 -1.867 0.511 6.354 171 H VAL 23 H VAL 23 -1.304 -4.998 6.635 172 HA VAL 23 HA VAL 23 0.678 -5.540 8.480 173 HB VAL 23 HB VAL 23 -1.335 -7.540 7.414 174 1HG1 VAL 23 1HG1 VAL 23 0.523 -7.450 9.740 175 2HG1 VAL 23 2HG1 VAL 23 -1.089 -8.103 10.028 176 3HG1 VAL 23 3HG1 VAL 23 -0.046 -8.834 8.807 177 1HG2 VAL 23 1HG2 VAL 23 -2.013 -5.121 8.403 178 2HG2 VAL 23 2HG2 VAL 23 -2.974 -6.568 8.700 179 3HG2 VAL 23 3HG2 VAL 23 -1.827 -6.005 9.915 180 H LYS 24 H LYS 24 0.835 -6.522 5.115 181 HA LYS 24 HA LYS 24 2.694 -8.635 6.029 182 1HB LYS 24 1HB LYS 24 2.478 -9.715 3.917 183 2HB LYS 24 2HB LYS 24 0.857 -9.172 4.334 184 1HG LYS 24 1HG LYS 24 0.803 -8.094 2.370 185 2HG LYS 24 2HG LYS 24 1.999 -6.983 3.020 186 1HD LYS 24 1HD LYS 24 2.438 -9.477 1.338 187 2HD LYS 24 2HD LYS 24 2.901 -7.828 0.950 188 1HE LYS 24 1HE LYS 24 4.632 -7.862 2.697 189 2HE LYS 24 2HE LYS 24 4.125 -9.481 3.187 190 1HZ LYS 24 1HZ LYS 24 4.554 -10.084 0.762 191 2HZ LYS 24 2HZ LYS 24 5.438 -8.638 0.691 192 3HZ LYS 24 3HZ LYS 24 5.895 -9.860 1.781 193 H TYR 25 H TYR 25 2.758 -5.700 4.038 194 HA TYR 25 HA TYR 25 5.486 -6.158 3.200 195 1HB TYR 25 1HB TYR 25 3.718 -3.728 3.322 196 2HB TYR 25 2HB TYR 25 5.431 -3.540 3.092 197 HD1 TYR 25 HD1 TYR 25 6.555 -4.278 1.093 198 HD2 TYR 25 HD2 TYR 25 2.342 -4.909 1.633 199 HE1 TYR 25 HE1 TYR 25 6.338 -4.865 -1.311 200 HE2 TYR 25 HE2 TYR 25 2.117 -5.486 -0.774 201 HH TYR 25 HH TYR 25 4.778 -6.168 -2.750 202 H GLY 26 H GLY 26 4.144 -5.735 6.223 203 1HA GLY 26 1HA GLY 26 6.729 -4.735 7.292 204 2HA GLY 26 2HA GLY 26 5.574 -5.739 8.190 205 H VAL 27 H VAL 27 3.277 -4.290 7.056 206 HA VAL 27 HA VAL 27 3.650 -1.646 8.453 207 HB VAL 27 HB VAL 27 1.614 -2.249 6.289 208 1HG1 VAL 27 1HG1 VAL 27 1.068 -0.431 7.873 209 2HG1 VAL 27 2HG1 VAL 27 2.622 0.331 7.523 210 3HG1 VAL 27 3HG1 VAL 27 1.406 0.202 6.254 211 1HG2 VAL 27 1HG2 VAL 27 4.333 -2.106 5.875 212 2HG2 VAL 27 2HG2 VAL 27 3.114 -1.657 4.674 213 3HG2 VAL 27 3HG2 VAL 27 3.852 -0.419 5.696 214 H ASN 28 H ASN 28 2.400 -1.269 10.195 215 HA ASN 28 HA ASN 28 -0.091 -2.880 10.495 216 1HB ASN 28 1HB ASN 28 1.776 -2.133 12.760 217 2HB ASN 28 2HB ASN 28 0.332 -3.145 12.860 218 2HD2 ASN 28 2HD2 ASN 28 2.250 -4.644 13.786 219 1HD2 ASN 28 1HD2 ASN 28 2.977 -5.663 12.635 220 HA PRO 29 HA PRO 29 -1.194 1.487 10.864 221 1HB PRO 29 1HB PRO 29 -3.673 1.122 9.645 222 2HB PRO 29 2HB PRO 29 -2.178 1.494 8.790 223 1HG PRO 29 1HG PRO 29 -3.687 -1.043 8.939 224 2HG PRO 29 2HG PRO 29 -2.513 -0.472 7.733 225 1HD PRO 29 1HD PRO 29 -2.005 -2.329 9.846 226 2HD PRO 29 2HD PRO 29 -0.809 -1.646 8.750 227 H GLY 30 H GLY 30 -3.727 -1.090 11.327 228 1HA GLY 30 1HA GLY 30 -3.984 -0.048 14.098 229 2HA GLY 30 2HA GLY 30 -4.476 -1.645 13.572 230 HA PRO 31 HA PRO 31 -8.066 1.336 13.679 231 1HB PRO 31 1HB PRO 31 -7.606 3.982 13.133 232 2HB PRO 31 2HB PRO 31 -7.419 3.247 14.725 233 1HG PRO 31 1HG PRO 31 -5.367 4.182 12.806 234 2HG PRO 31 2HG PRO 31 -5.225 3.898 14.548 235 1HD PRO 31 1HD PRO 31 -4.358 2.188 12.410 236 2HD PRO 31 2HD PRO 31 -4.288 1.822 14.142 237 H ILE 32 H ILE 32 -7.409 0.134 11.127 238 HA ILE 32 HA ILE 32 -8.075 2.056 9.019 239 HB ILE 32 HB ILE 32 -8.450 -0.957 8.916 240 1HG1 ILE 32 1HG1 ILE 32 -6.034 0.270 9.485 241 2HG1 ILE 32 2HG1 ILE 32 -6.209 -1.300 8.715 242 1HG2 ILE 32 1HG2 ILE 32 -9.344 0.816 7.174 243 2HG2 ILE 32 2HG2 ILE 32 -7.694 0.750 6.580 244 3HG2 ILE 32 3HG2 ILE 32 -8.659 -0.714 6.641 245 1HD1 ILE 32 1HD1 ILE 32 -6.267 1.169 6.998 246 2HD1 ILE 32 2HD1 ILE 32 -4.717 0.554 7.581 247 3HD1 ILE 32 3HD1 ILE 32 -5.761 -0.465 6.589 248 H VAL 33 H VAL 33 -9.945 3.095 9.868 249 HA VAL 33 HA VAL 33 -12.275 1.465 10.614 250 HB VAL 33 HB VAL 33 -12.759 4.349 10.438 251 1HG1 VAL 33 1HG1 VAL 33 -12.816 2.275 12.644 252 2HG1 VAL 33 2HG1 VAL 33 -13.387 3.932 12.827 253 3HG1 VAL 33 3HG1 VAL 33 -14.189 2.843 11.695 254 1HG2 VAL 33 1HG2 VAL 33 -10.373 3.317 11.983 255 2HG2 VAL 33 2HG2 VAL 33 -10.466 4.750 10.949 256 3HG2 VAL 33 3HG2 VAL 33 -11.270 4.734 12.521 257 H GLY 34 H GLY 34 -12.073 4.306 8.393 258 1HA GLY 34 1HA GLY 34 -14.432 3.997 7.030 259 2HA GLY 34 2HA GLY 34 -13.377 2.805 6.271 260 H THR 35 H THR 35 -12.132 5.855 7.564 261 HA THR 35 HA THR 35 -11.821 6.834 4.776 262 HB THR 35 HB THR 35 -11.187 8.765 6.854 263 HG1 THR 35 HG1 THR 35 -12.711 7.962 8.125 264 1HG2 THR 35 1HG2 THR 35 -13.167 8.612 4.569 265 2HG2 THR 35 2HG2 THR 35 -12.949 10.046 5.572 266 3HG2 THR 35 3HG2 THR 35 -11.615 9.450 4.585 267 H THR 36 H THR 36 -10.098 5.235 7.079 268 HA THR 36 HA THR 36 -7.634 6.756 6.821 269 HB THR 36 HB THR 36 -6.722 4.621 7.995 270 HG1 THR 36 HG1 THR 36 -9.460 4.349 8.587 271 1HG2 THR 36 1HG2 THR 36 -8.827 6.454 9.127 272 2HG2 THR 36 2HG2 THR 36 -7.731 5.469 10.105 273 3HG2 THR 36 3HG2 THR 36 -7.084 6.754 9.068 274 H ARG 37 H ARG 37 -9.117 4.864 4.655 275 HA ARG 37 HA ARG 37 -6.873 3.255 3.776 276 1HB ARG 37 1HB ARG 37 -9.527 3.901 2.542 277 2HB ARG 37 2HB ARG 37 -8.233 3.426 1.452 278 1HG ARG 37 1HG ARG 37 -8.954 1.322 1.950 279 2HG ARG 37 2HG ARG 37 -7.949 1.536 3.396 280 1HD ARG 37 1HD ARG 37 -10.952 1.940 3.145 281 2HD ARG 37 2HD ARG 37 -10.091 0.926 4.289 282 HE ARG 37 HE ARG 37 -10.293 3.882 4.438 283 1HH1 ARG 37 1HH1 ARG 37 -11.380 2.666 6.684 284 2HH1 ARG 37 2HH1 ARG 37 -10.077 2.479 7.793 285 1HH2 ARG 37 1HH2 ARG 37 -7.639 2.759 5.368 286 2HH2 ARG 37 2HH2 ARG 37 -7.947 2.504 7.046 287 H LYS 38 H LYS 38 -8.286 6.080 1.997 288 HA LYS 38 HA LYS 38 -6.280 6.661 0.255 289 1HB LYS 38 1HB LYS 38 -8.312 8.088 0.710 290 2HB LYS 38 2HB LYS 38 -7.443 8.780 2.081 291 1HG LYS 38 1HG LYS 38 -5.567 9.312 0.410 292 2HG LYS 38 2HG LYS 38 -6.744 8.950 -0.853 293 1HD LYS 38 1HD LYS 38 -7.206 10.969 1.361 294 2HD LYS 38 2HD LYS 38 -6.627 11.392 -0.249 295 1HE LYS 38 1HE LYS 38 -8.760 9.943 -0.973 296 2HE LYS 38 2HE LYS 38 -9.329 10.461 0.615 297 1HZ LYS 38 1HZ LYS 38 -8.464 12.762 -0.220 298 2HZ LYS 38 2HZ LYS 38 -8.704 12.070 -1.754 299 3HZ LYS 38 3HZ LYS 38 -10.003 12.202 -0.673 300 H LEU 39 H LEU 39 -6.100 6.972 3.748 301 HA LEU 39 HA LEU 39 -3.585 8.410 3.822 302 1HB LEU 39 1HB LEU 39 -5.477 7.931 5.712 303 2HB LEU 39 2HB LEU 39 -4.401 6.583 6.048 304 HG LEU 39 HG LEU 39 -3.401 9.418 5.870 305 1HD1 LEU 39 1HD1 LEU 39 -4.225 7.822 8.317 306 2HD1 LEU 39 2HD1 LEU 39 -3.446 9.403 8.344 307 3HD1 LEU 39 3HD1 LEU 39 -5.074 9.233 7.686 308 1HD2 LEU 39 1HD2 LEU 39 -2.313 6.806 6.966 309 2HD2 LEU 39 2HD2 LEU 39 -1.684 7.710 5.588 310 3HD2 LEU 39 3HD2 LEU 39 -1.534 8.369 7.219 311 H TYR 40 H TYR 40 -4.384 5.027 4.587 312 HA TYR 40 HA TYR 40 -1.595 4.231 4.547 313 1HB TYR 40 1HB TYR 40 -4.189 2.651 4.584 314 2HB TYR 40 2HB TYR 40 -2.596 1.925 4.765 315 HD1 TYR 40 HD1 TYR 40 -1.046 3.414 6.484 316 HD2 TYR 40 HD2 TYR 40 -5.318 3.004 6.575 317 HE1 TYR 40 HE1 TYR 40 -1.048 3.991 8.893 318 HE2 TYR 40 HE2 TYR 40 -5.327 3.591 8.981 319 HH TYR 40 HH TYR 40 -3.069 5.105 10.513 320 H GLU 41 H GLU 41 -3.579 5.095 2.096 321 HA GLU 41 HA GLU 41 -3.073 3.013 0.171 322 1HB GLU 41 1HB GLU 41 -4.489 4.272 -1.129 323 2HB GLU 41 2HB GLU 41 -4.702 5.274 0.301 324 1HG GLU 41 1HG GLU 41 -2.900 6.741 -0.409 325 2HG GLU 41 2HG GLU 41 -2.548 5.668 -1.758 326 H LYS 42 H LYS 42 -1.350 5.702 1.492 327 HA LYS 42 HA LYS 42 0.777 5.372 -0.604 328 1HB LYS 42 1HB LYS 42 -0.274 7.653 0.910 329 2HB LYS 42 2HB LYS 42 1.485 7.535 0.990 330 1HG LYS 42 1HG LYS 42 0.739 8.857 -0.958 331 2HG LYS 42 2HG LYS 42 1.602 7.398 -1.443 332 1HD LYS 42 1HD LYS 42 -1.100 6.652 -1.162 333 2HD LYS 42 2HD LYS 42 -1.117 8.175 -2.047 334 1HE LYS 42 1HE LYS 42 0.156 7.301 -3.814 335 2HE LYS 42 2HE LYS 42 0.806 5.994 -2.825 336 1HZ LYS 42 1HZ LYS 42 -2.077 6.194 -3.475 337 2HZ LYS 42 2HZ LYS 42 -0.980 5.379 -4.484 338 3HZ LYS 42 3HZ LYS 42 -1.226 4.848 -2.889 339 H LYS 43 H LYS 43 0.345 5.900 2.874 340 HA LYS 43 HA LYS 43 2.817 5.529 3.944 341 1HB LYS 43 1HB LYS 43 0.142 4.859 4.836 342 2HB LYS 43 2HB LYS 43 1.353 3.751 5.499 343 1HG LYS 43 1HG LYS 43 1.766 6.743 5.515 344 2HG LYS 43 2HG LYS 43 0.889 5.934 6.804 345 1HD LYS 43 1HD LYS 43 2.854 4.424 7.138 346 2HD LYS 43 2HD LYS 43 3.734 5.367 5.936 347 1HE LYS 43 1HE LYS 43 4.403 6.360 7.957 348 2HE LYS 43 2HE LYS 43 3.092 7.413 7.424 349 1HZ LYS 43 1HZ LYS 43 1.744 5.564 8.790 350 2HZ LYS 43 2HZ LYS 43 3.200 5.579 9.665 351 3HZ LYS 43 3HZ LYS 43 2.312 7.011 9.474 352 H LEU 44 H LEU 44 0.789 2.875 2.725 353 HA LEU 44 HA LEU 44 2.919 0.957 3.277 354 1HB LEU 44 1HB LEU 44 1.166 -0.400 3.458 355 2HB LEU 44 2HB LEU 44 0.099 0.914 2.972 356 HG LEU 44 HG LEU 44 0.853 0.294 0.573 357 1HD1 LEU 44 1HD1 LEU 44 -1.386 0.026 1.748 358 2HD1 LEU 44 2HD1 LEU 44 -1.083 -1.076 0.403 359 3HD1 LEU 44 3HD1 LEU 44 -0.906 -1.642 2.065 360 1HD2 LEU 44 1HD2 LEU 44 2.469 -1.447 1.902 361 2HD2 LEU 44 2HD2 LEU 44 1.052 -2.472 1.672 362 3HD2 LEU 44 3HD2 LEU 44 1.866 -1.770 0.272 363 H LEU 45 H LEU 45 1.562 2.739 0.592 364 HA LEU 45 HA LEU 45 2.614 1.312 -1.593 365 1HB LEU 45 1HB LEU 45 1.214 3.601 -1.342 366 2HB LEU 45 2HB LEU 45 2.798 4.271 -1.718 367 HG LEU 45 HG LEU 45 2.048 1.988 -3.408 368 1HD1 LEU 45 1HD1 LEU 45 3.810 4.085 -3.485 369 2HD1 LEU 45 2HD1 LEU 45 3.345 3.127 -4.888 370 3HD1 LEU 45 3HD1 LEU 45 2.534 4.656 -4.559 371 1HD2 LEU 45 1HD2 LEU 45 -0.124 3.376 -2.850 372 2HD2 LEU 45 2HD2 LEU 45 0.589 4.535 -3.971 373 3HD2 LEU 45 3HD2 LEU 45 0.216 2.901 -4.516 374 H LYS 46 H LYS 46 4.237 3.599 0.601 375 HA LYS 46 HA LYS 46 6.639 3.983 -0.834 376 1HB LYS 46 1HB LYS 46 6.224 3.633 2.152 377 2HB LYS 46 2HB LYS 46 7.719 4.217 1.422 378 1HG LYS 46 1HG LYS 46 5.463 5.671 0.349 379 2HG LYS 46 2HG LYS 46 5.445 5.746 2.112 380 1HD LYS 46 1HD LYS 46 7.995 6.227 0.576 381 2HD LYS 46 2HD LYS 46 6.833 7.530 0.821 382 1HE LYS 46 1HE LYS 46 6.925 7.097 3.279 383 2HE LYS 46 2HE LYS 46 8.175 5.886 2.989 384 1HZ LYS 46 1HZ LYS 46 8.359 8.752 2.231 385 2HZ LYS 46 2HZ LYS 46 9.110 8.045 3.582 386 3HZ LYS 46 3HZ LYS 46 9.568 7.583 2.013 387 H LEU 47 H LEU 47 6.127 1.524 1.706 388 HA LEU 47 HA LEU 47 8.444 -0.018 1.079 389 1HB LEU 47 1HB LEU 47 5.875 -1.101 2.265 390 2HB LEU 47 2HB LEU 47 7.504 -1.638 2.519 391 HG LEU 47 HG LEU 47 7.067 1.171 3.242 392 1HD1 LEU 47 1HD1 LEU 47 8.627 -1.200 4.063 393 2HD1 LEU 47 2HD1 LEU 47 9.091 0.503 4.060 394 3HD1 LEU 47 3HD1 LEU 47 8.132 -0.148 5.390 395 1HD2 LEU 47 1HD2 LEU 47 5.197 -0.848 4.094 396 2HD2 LEU 47 2HD2 LEU 47 6.173 -0.354 5.478 397 3HD2 LEU 47 3HD2 LEU 47 5.258 0.853 4.571 398 H ARG 48 H ARG 48 5.314 0.205 -0.265 399 HA ARG 48 HA ARG 48 5.560 -2.318 -1.795 400 1HB ARG 48 1HB ARG 48 3.451 -2.007 -0.681 401 2HB ARG 48 2HB ARG 48 3.306 -0.362 -1.283 402 1HG ARG 48 1HG ARG 48 3.586 -2.464 -3.348 403 2HG ARG 48 2HG ARG 48 2.076 -2.475 -2.433 404 1HD ARG 48 1HD ARG 48 2.776 0.240 -3.114 405 2HD ARG 48 2HD ARG 48 2.776 -0.747 -4.566 406 HE ARG 48 HE ARG 48 0.440 0.157 -3.244 407 1HH1 ARG 48 1HH1 ARG 48 1.837 -2.735 -4.555 408 2HH1 ARG 48 2HH1 ARG 48 0.307 -3.481 -4.858 409 1HH2 ARG 48 1HH2 ARG 48 -1.551 -0.828 -3.655 410 2HH2 ARG 48 2HH2 ARG 48 -1.594 -2.415 -4.348 411 H GLU 49 H GLU 49 7.024 0.355 -2.280 412 HA GLU 49 HA GLU 49 6.064 0.893 -5.042 413 1HB GLU 49 1HB GLU 49 7.558 2.491 -2.995 414 2HB GLU 49 2HB GLU 49 7.902 2.801 -4.697 415 1HG GLU 49 1HG GLU 49 5.117 2.631 -4.574 416 2HG GLU 49 2HG GLU 49 5.561 3.533 -3.128 417 H GLN 50 H GLN 50 6.987 -1.099 -5.707 418 HA GLN 50 HA GLN 50 9.204 -2.444 -5.704 419 1HB GLN 50 1HB GLN 50 8.458 -3.032 -7.741 420 2HB GLN 50 2HB GLN 50 7.581 -1.516 -7.890 421 1HG GLN 50 1HG GLN 50 10.548 -1.657 -8.445 422 2HG GLN 50 2HG GLN 50 9.365 -2.063 -9.686 423 2HE2 GLN 50 2HE2 GLN 50 7.345 -0.163 -9.161 424 1HE2 GLN 50 1HE2 GLN 50 7.962 1.397 -9.415 425 H GLY 51 H GLY 51 11.374 -2.198 -5.541 426 1HA GLY 51 1HA GLY 51 13.465 -1.138 -5.459 427 2HA GLY 51 2HA GLY 51 12.580 0.383 -5.339 428 H THR 52 H THR 52 14.634 0.880 -6.755 429 HA THR 52 HA THR 52 13.855 0.507 -9.621 430 HB THR 52 HB THR 52 15.211 2.707 -9.894 431 HG1 THR 52 HG1 THR 52 15.138 3.959 -7.956 432 1HG2 THR 52 1HG2 THR 52 12.501 2.466 -8.592 433 2HG2 THR 52 2HG2 THR 52 13.169 4.039 -9.029 434 3HG2 THR 52 3HG2 THR 52 12.884 2.826 -10.276 435 H GLU 53 H GLU 53 16.836 1.787 -8.156 436 HA GLU 53 HA GLU 53 18.346 -0.213 -9.759 437 1HB GLU 53 1HB GLU 53 20.294 1.237 -9.381 438 2HB GLU 53 2HB GLU 53 18.956 2.175 -10.031 439 1HG GLU 53 1HG GLU 53 18.366 2.640 -7.544 440 2HG GLU 53 2HG GLU 53 20.020 2.130 -7.235 441 H SER 54 H SER 54 18.249 1.141 -6.449 442 HA SER 54 HA SER 54 18.542 -0.028 -4.413 443 1HB SER 54 1HB SER 54 19.606 -2.405 -5.927 444 2HB SER 54 2HB SER 54 18.797 -2.365 -4.360 445 HG SER 54 HG SER 54 16.885 -1.795 -5.420 446 H ARG 55 H ARG 55 21.018 -0.515 -6.928 447 HA ARG 55 HA ARG 55 23.376 -0.649 -6.684 448 1HB ARG 55 1HB ARG 55 24.263 1.518 -6.208 449 2HB ARG 55 2HB ARG 55 22.695 1.781 -6.968 450 1HG ARG 55 1HG ARG 55 21.728 1.879 -4.595 451 2HG ARG 55 2HG ARG 55 23.394 1.986 -4.029 452 1HD ARG 55 1HD ARG 55 22.238 4.218 -4.348 453 2HD ARG 55 2HD ARG 55 23.752 4.044 -5.241 454 HE ARG 55 HE ARG 55 21.517 3.210 -6.903 455 1HH1 ARG 55 1HH1 ARG 55 22.786 4.558 -8.705 456 2HH1 ARG 55 2HH1 ARG 55 22.439 6.249 -8.570 457 1HH2 ARG 55 1HH2 ARG 55 21.204 6.007 -5.338 458 2HH2 ARG 55 2HH2 ARG 55 21.544 7.071 -6.663 459 H SER 56 H SER 56 24.853 0.738 -4.538 460 HA SER 56 HA SER 56 25.936 -0.030 -2.586 461 1HB SER 56 1HB SER 56 23.001 0.110 -1.915 462 2HB SER 56 2HB SER 56 24.176 -0.396 -0.699 463 HG SER 56 HG SER 56 25.301 1.646 -1.613 464 H SER 57 H SER 57 25.127 -2.115 -4.591 465 HA SER 57 HA SER 57 25.171 -4.456 -4.727 466 1HB SER 57 1HB SER 57 26.772 -3.726 -2.478 467 2HB SER 57 2HB SER 57 25.844 -5.158 -2.035 468 HG SER 57 HG SER 57 27.703 -5.821 -3.061 No H/Q in entry = 468 Start of MODEL 4 1 H1 ARG 1 H1 ARG 1 0.812 -1.935 -20.214 2 H2 ARG 1 H2 ARG 1 1.254 -0.323 -20.513 3 H3 ARG 1 H3 ARG 1 2.170 -1.593 -21.171 4 HA ARG 1 HA ARG 1 3.432 -1.729 -19.374 5 1HB ARG 1 1HB ARG 1 3.255 0.691 -19.355 6 2HB ARG 1 2HB ARG 1 1.706 0.612 -18.514 7 1HG ARG 1 1HG ARG 1 3.429 1.115 -16.883 8 2HG ARG 1 2HG ARG 1 2.874 -0.537 -16.608 9 1HD ARG 1 1HD ARG 1 5.168 -0.902 -16.598 10 2HD ARG 1 2HD ARG 1 4.849 -1.093 -18.327 11 HE ARG 1 HE ARG 1 5.370 1.680 -17.835 12 1HH1 ARG 1 1HH1 ARG 1 6.717 -0.891 -19.344 13 2HH1 ARG 1 2HH1 ARG 1 8.371 -0.508 -18.998 14 1HH2 ARG 1 1HH2 ARG 1 7.593 1.957 -16.686 15 2HH2 ARG 1 2HH2 ARG 1 8.867 1.104 -17.493 16 H GLN 2 H GLN 2 2.564 -3.817 -18.748 17 HA GLN 2 HA GLN 2 0.619 -3.717 -16.484 18 1HB GLN 2 1HB GLN 2 1.466 -6.257 -17.850 19 2HB GLN 2 2HB GLN 2 -0.060 -5.882 -17.049 20 1HG GLN 2 1HG GLN 2 -0.762 -5.665 -19.230 21 2HG GLN 2 2HG GLN 2 -0.154 -4.027 -18.989 22 2HE2 GLN 2 2HE2 GLN 2 0.879 -7.257 -20.197 23 1HE2 GLN 2 1HE2 GLN 2 2.026 -6.649 -21.291 24 H GLU 3 H GLU 3 1.138 -5.860 -15.020 25 HA GLU 3 HA GLU 3 2.583 -6.710 -13.379 26 1HB GLU 3 1HB GLU 3 3.713 -7.513 -15.544 27 2HB GLU 3 2HB GLU 3 4.826 -6.162 -15.329 28 1HG GLU 3 1HG GLU 3 5.850 -8.067 -14.283 29 2HG GLU 3 2HG GLU 3 5.255 -7.038 -12.981 30 H ASP 4 H ASP 4 2.852 -5.385 -11.643 31 HA ASP 4 HA ASP 4 5.053 -3.483 -11.588 32 1HB ASP 4 1HB ASP 4 2.369 -2.562 -12.254 33 2HB ASP 4 2HB ASP 4 2.971 -1.796 -10.784 34 H LYS 5 H LYS 5 4.635 -2.085 -9.381 35 HA LYS 5 HA LYS 5 3.873 -4.130 -7.340 36 1HB LYS 5 1HB LYS 5 6.295 -3.282 -7.442 37 2HB LYS 5 2HB LYS 5 5.665 -1.742 -6.875 38 1HG LYS 5 1HG LYS 5 6.313 -2.887 -4.895 39 2HG LYS 5 2HG LYS 5 4.563 -3.074 -4.971 40 1HD LYS 5 1HD LYS 5 5.897 -5.190 -4.435 41 2HD LYS 5 2HD LYS 5 4.732 -5.321 -5.750 42 1HE LYS 5 1HE LYS 5 7.027 -6.316 -6.221 43 2HE LYS 5 2HE LYS 5 6.456 -5.145 -7.409 44 1HZ LYS 5 1HZ LYS 5 7.848 -3.880 -5.272 45 2HZ LYS 5 2HZ LYS 5 8.820 -5.050 -6.031 46 3HZ LYS 5 3HZ LYS 5 8.130 -3.792 -6.943 47 H ASP 6 H ASP 6 4.022 -0.551 -7.702 48 HA ASP 6 HA ASP 6 1.745 -0.295 -5.842 49 1HB ASP 6 1HB ASP 6 1.990 2.207 -6.655 50 2HB ASP 6 2HB ASP 6 3.165 1.551 -5.513 51 H ASP 7 H ASP 7 1.100 -1.799 -8.118 52 HA ASP 7 HA ASP 7 -0.271 -0.029 -10.014 53 1HB ASP 7 1HB ASP 7 0.850 -2.467 -10.322 54 2HB ASP 7 2HB ASP 7 -0.815 -2.952 -9.995 55 H LEU 8 H LEU 8 -1.024 -1.970 -7.188 56 HA LEU 8 HA LEU 8 -3.863 -2.106 -7.553 57 1HB LEU 8 1HB LEU 8 -2.402 -3.354 -5.822 58 2HB LEU 8 2HB LEU 8 -2.504 -1.883 -4.859 59 HG LEU 8 HG LEU 8 -5.146 -2.488 -5.744 60 1HD1 LEU 8 1HD1 LEU 8 -3.484 -4.853 -5.046 61 2HD1 LEU 8 2HD1 LEU 8 -5.070 -4.759 -4.279 62 3HD1 LEU 8 3HD1 LEU 8 -4.938 -4.755 -6.038 63 1HD2 LEU 8 1HD2 LEU 8 -3.923 -1.555 -3.497 64 2HD2 LEU 8 2HD2 LEU 8 -5.607 -2.077 -3.550 65 3HD2 LEU 8 3HD2 LEU 8 -4.358 -3.183 -2.979 66 H ASP 9 H ASP 9 -5.488 -0.778 -6.418 67 HA ASP 9 HA ASP 9 -5.067 2.021 -6.787 68 1HB ASP 9 1HB ASP 9 -7.227 0.277 -5.945 69 2HB ASP 9 2HB ASP 9 -7.189 1.743 -4.967 70 H VAL 10 H VAL 10 -4.918 -0.018 -3.876 71 HA VAL 10 HA VAL 10 -3.980 0.383 -1.781 72 HB VAL 10 HB VAL 10 -2.808 3.001 -2.251 73 1HG1 VAL 10 1HG1 VAL 10 -2.604 0.969 -4.396 74 2HG1 VAL 10 2HG1 VAL 10 -2.379 2.717 -4.464 75 3HG1 VAL 10 3HG1 VAL 10 -1.088 1.679 -3.859 76 1HG2 VAL 10 1HG2 VAL 10 -1.715 0.229 -1.695 77 2HG2 VAL 10 2HG2 VAL 10 -0.742 1.702 -1.652 78 3HG2 VAL 10 3HG2 VAL 10 -2.057 1.472 -0.497 79 H THR 11 H THR 11 -6.159 2.579 -3.255 80 HA THR 11 HA THR 11 -6.658 3.843 -0.604 81 HB THR 11 HB THR 11 -6.453 5.791 -1.730 82 HG1 THR 11 HG1 THR 11 -8.653 5.151 -3.337 83 1HG2 THR 11 1HG2 THR 11 -5.294 4.616 -3.585 84 2HG2 THR 11 2HG2 THR 11 -6.858 4.303 -4.340 85 3HG2 THR 11 3HG2 THR 11 -6.280 5.958 -4.165 86 H GLU 12 H GLU 12 -8.348 2.839 -3.619 87 HA GLU 12 HA GLU 12 -10.925 2.702 -2.319 88 1HB GLU 12 1HB GLU 12 -11.720 1.723 -4.333 89 2HB GLU 12 2HB GLU 12 -10.423 2.792 -4.861 90 1HG GLU 12 1HG GLU 12 -9.606 0.965 -5.929 91 2HG GLU 12 2HG GLU 12 -9.065 0.453 -4.332 92 H LEU 13 H LEU 13 -8.196 0.603 -2.676 93 HA LEU 13 HA LEU 13 -8.834 -1.953 -2.250 94 1HB LEU 13 1HB LEU 13 -6.823 -2.216 -1.067 95 2HB LEU 13 2HB LEU 13 -6.586 -0.671 -1.881 96 HG LEU 13 HG LEU 13 -7.501 -1.089 0.957 97 1HD1 LEU 13 1HD1 LEU 13 -4.976 -1.250 0.005 98 2HD1 LEU 13 2HD1 LEU 13 -5.087 0.497 0.213 99 3HD1 LEU 13 3HD1 LEU 13 -5.330 -0.572 1.591 100 1HD2 LEU 13 1HD2 LEU 13 -8.524 0.925 -0.215 101 2HD2 LEU 13 2HD2 LEU 13 -7.579 1.281 1.223 102 3HD2 LEU 13 3HD2 LEU 13 -6.887 1.550 -0.370 103 H THR 14 H THR 14 -10.210 -3.119 -1.061 104 HA THR 14 HA THR 14 -12.007 -1.998 0.798 105 HB THR 14 HB THR 14 -12.615 -4.295 1.375 106 HG1 THR 14 HG1 THR 14 -10.292 -4.918 1.403 107 1HG2 THR 14 1HG2 THR 14 -12.913 -3.196 -1.031 108 2HG2 THR 14 2HG2 THR 14 -11.857 -4.526 -1.506 109 3HG2 THR 14 3HG2 THR 14 -13.400 -4.862 -0.721 110 H ASN 15 H ASN 15 -12.222 -2.659 3.144 111 HA ASN 15 HA ASN 15 -9.832 -1.889 4.576 112 1HB ASN 15 1HB ASN 15 -11.168 -2.000 6.548 113 2HB ASN 15 2HB ASN 15 -12.220 -1.390 5.270 114 2HD2 ASN 15 2HD2 ASN 15 -13.837 -2.894 4.367 115 1HD2 ASN 15 1HD2 ASN 15 -14.282 -4.298 5.211 116 H GLU 16 H GLU 16 -11.488 -4.973 4.013 117 HA GLU 16 HA GLU 16 -9.667 -6.381 5.841 118 1HB GLU 16 1HB GLU 16 -11.839 -7.310 5.802 119 2HB GLU 16 2HB GLU 16 -11.940 -7.232 4.046 120 1HG GLU 16 1HG GLU 16 -9.809 -8.915 5.334 121 2HG GLU 16 2HG GLU 16 -11.455 -9.533 5.209 122 H ASP 17 H ASP 17 -10.332 -6.545 2.322 123 HA ASP 17 HA ASP 17 -8.148 -8.272 1.732 124 1HB ASP 17 1HB ASP 17 -10.055 -7.734 0.163 125 2HB ASP 17 2HB ASP 17 -9.279 -6.181 -0.144 126 H LEU 18 H LEU 18 -8.022 -5.019 2.767 127 HA LEU 18 HA LEU 18 -5.414 -4.662 1.385 128 1HB LEU 18 1HB LEU 18 -5.599 -2.412 1.620 129 2HB LEU 18 2HB LEU 18 -7.299 -2.836 1.544 130 HG LEU 18 HG LEU 18 -7.249 -2.877 4.101 131 1HD1 LEU 18 1HD1 LEU 18 -4.487 -2.321 3.538 132 2HD1 LEU 18 2HD1 LEU 18 -5.186 -0.955 4.407 133 3HD1 LEU 18 3HD1 LEU 18 -5.254 -2.574 5.106 134 1HD2 LEU 18 1HD2 LEU 18 -8.186 -1.031 2.648 135 2HD2 LEU 18 2HD2 LEU 18 -7.624 -0.501 4.227 136 3HD2 LEU 18 3HD2 LEU 18 -6.635 -0.215 2.806 137 H LEU 19 H LEU 19 -6.757 -5.430 4.465 138 HA LEU 19 HA LEU 19 -4.612 -4.560 6.127 139 1HB LEU 19 1HB LEU 19 -6.628 -6.793 6.349 140 2HB LEU 19 2HB LEU 19 -5.332 -6.654 7.530 141 HG LEU 19 HG LEU 19 -7.627 -4.782 7.013 142 1HD1 LEU 19 1HD1 LEU 19 -6.311 -6.100 9.399 143 2HD1 LEU 19 2HD1 LEU 19 -7.539 -4.842 9.570 144 3HD1 LEU 19 3HD1 LEU 19 -7.943 -6.367 8.780 145 1HD2 LEU 19 1HD2 LEU 19 -4.886 -4.073 8.043 146 2HD2 LEU 19 2HD2 LEU 19 -5.941 -3.150 6.969 147 3HD2 LEU 19 3HD2 LEU 19 -6.307 -3.259 8.690 148 H ASP 20 H ASP 20 -4.859 -7.122 3.808 149 HA ASP 20 HA ASP 20 -2.549 -8.591 4.896 150 1HB ASP 20 1HB ASP 20 -4.622 -9.405 3.362 151 2HB ASP 20 2HB ASP 20 -3.454 -9.038 2.093 152 H GLN 21 H GLN 21 -3.221 -6.042 2.669 153 HA GLN 21 HA GLN 21 -0.720 -6.152 1.249 154 1HB GLN 21 1HB GLN 21 -2.822 -5.310 0.239 155 2HB GLN 21 2HB GLN 21 -2.910 -4.043 1.464 156 1HG GLN 21 1HG GLN 21 -1.965 -2.847 -0.099 157 2HG GLN 21 2HG GLN 21 -0.489 -3.539 0.559 158 2HE2 GLN 21 2HE2 GLN 21 -1.055 -2.622 -2.278 159 1HE2 GLN 21 1HE2 GLN 21 -0.763 -3.994 -3.237 160 H LEU 22 H LEU 22 -1.968 -4.652 4.159 161 HA LEU 22 HA LEU 22 0.432 -2.926 4.387 162 1HB LEU 22 1HB LEU 22 -2.259 -3.015 5.645 163 2HB LEU 22 2HB LEU 22 -0.936 -2.550 6.708 164 HG LEU 22 HG LEU 22 -0.423 -1.123 4.411 165 1HD1 LEU 22 1HD1 LEU 22 -2.708 -1.821 3.612 166 2HD1 LEU 22 2HD1 LEU 22 -3.388 -0.987 5.015 167 3HD1 LEU 22 3HD1 LEU 22 -2.528 -0.072 3.773 168 1HD2 LEU 22 1HD2 LEU 22 -0.787 -0.595 7.074 169 2HD2 LEU 22 2HD2 LEU 22 -0.525 0.644 5.862 170 3HD2 LEU 22 3HD2 LEU 22 -2.159 0.244 6.369 171 H VAL 23 H VAL 23 -1.344 -5.319 6.328 172 HA VAL 23 HA VAL 23 0.552 -5.651 8.365 173 HB VAL 23 HB VAL 23 -1.384 -7.688 7.235 174 1HG1 VAL 23 1HG1 VAL 23 0.238 -7.603 9.788 175 2HG1 VAL 23 2HG1 VAL 23 -1.178 -8.635 9.590 176 3HG1 VAL 23 3HG1 VAL 23 0.231 -8.864 8.556 177 1HG2 VAL 23 1HG2 VAL 23 -2.130 -5.359 8.236 178 2HG2 VAL 23 2HG2 VAL 23 -2.989 -6.831 8.688 179 3HG2 VAL 23 3HG2 VAL 23 -1.779 -6.145 9.774 180 H LYS 24 H LYS 24 0.986 -6.682 5.058 181 HA LYS 24 HA LYS 24 2.908 -8.660 6.163 182 1HB LYS 24 1HB LYS 24 2.865 -9.837 4.076 183 2HB LYS 24 2HB LYS 24 1.192 -9.430 4.442 184 1HG LYS 24 1HG LYS 24 1.088 -8.424 2.442 185 2HG LYS 24 2HG LYS 24 2.163 -7.189 3.081 186 1HD LYS 24 1HD LYS 24 2.866 -9.680 1.486 187 2HD LYS 24 2HD LYS 24 3.186 -8.006 1.057 188 1HE LYS 24 1HE LYS 24 4.882 -7.827 2.817 189 2HE LYS 24 2HE LYS 24 4.495 -9.452 3.389 190 1HZ LYS 24 1HZ LYS 24 5.231 -9.073 0.580 191 2HZ LYS 24 2HZ LYS 24 6.454 -9.062 1.755 192 3HZ LYS 24 3HZ LYS 24 5.454 -10.424 1.586 193 H TYR 25 H TYR 25 2.807 -5.823 4.088 194 HA TYR 25 HA TYR 25 5.555 -6.071 3.258 195 1HB TYR 25 1HB TYR 25 3.556 -3.837 3.376 196 2HB TYR 25 2HB TYR 25 5.260 -3.450 3.143 197 HD1 TYR 25 HD1 TYR 25 6.462 -4.171 1.147 198 HD2 TYR 25 HD2 TYR 25 2.315 -5.100 1.709 199 HE1 TYR 25 HE1 TYR 25 6.291 -4.828 -1.242 200 HE2 TYR 25 HE2 TYR 25 2.127 -5.751 -0.678 201 HH TYR 25 HH TYR 25 3.865 -4.910 -2.949 202 H GLY 26 H GLY 26 4.157 -5.661 6.285 203 1HA GLY 26 1HA GLY 26 6.692 -4.517 7.337 204 2HA GLY 26 2HA GLY 26 5.600 -5.574 8.249 205 H VAL 27 H VAL 27 3.205 -4.281 7.171 206 HA VAL 27 HA VAL 27 3.454 -1.607 8.543 207 HB VAL 27 HB VAL 27 1.446 -2.303 6.376 208 1HG1 VAL 27 1HG1 VAL 27 2.317 0.319 7.632 209 2HG1 VAL 27 2HG1 VAL 27 1.141 0.153 6.326 210 3HG1 VAL 27 3HG1 VAL 27 0.785 -0.507 7.932 211 1HG2 VAL 27 1HG2 VAL 27 4.160 -2.016 5.979 212 2HG2 VAL 27 2HG2 VAL 27 2.921 -1.658 4.768 213 3HG2 VAL 27 3HG2 VAL 27 3.578 -0.364 5.774 214 H ASN 28 H ASN 28 2.151 -1.243 10.253 215 HA ASN 28 HA ASN 28 -0.202 -3.045 10.621 216 1HB ASN 28 1HB ASN 28 1.376 -3.857 12.199 217 2HB ASN 28 2HB ASN 28 1.903 -2.230 12.629 218 2HD2 ASN 28 2HD2 ASN 28 -1.515 -3.152 12.234 219 1HD2 ASN 28 1HD2 ASN 28 -1.933 -2.956 13.868 220 HA PRO 29 HA PRO 29 -1.653 1.250 10.753 221 1HB PRO 29 1HB PRO 29 -4.045 0.616 9.496 222 2HB PRO 29 2HB PRO 29 -2.569 1.088 8.658 223 1HG PRO 29 1HG PRO 29 -3.856 -1.561 8.862 224 2HG PRO 29 2HG PRO 29 -2.683 -0.948 7.677 225 1HD PRO 29 1HD PRO 29 -2.110 -2.666 9.881 226 2HD PRO 29 2HD PRO 29 -0.940 -1.926 8.796 227 H GLY 30 H GLY 30 -3.828 -1.584 11.348 228 1HA GLY 30 1HA GLY 30 -4.512 -0.340 13.951 229 2HA GLY 30 2HA GLY 30 -4.831 -2.012 13.503 230 HA PRO 31 HA PRO 31 -8.748 0.339 12.882 231 1HB PRO 31 1HB PRO 31 -8.700 3.051 13.273 232 2HB PRO 31 2HB PRO 31 -8.821 1.875 14.584 233 1HG PRO 31 1HG PRO 31 -6.541 3.581 13.752 234 2HG PRO 31 2HG PRO 31 -6.850 2.816 15.319 235 1HD PRO 31 1HD PRO 31 -5.066 1.932 13.265 236 2HD PRO 31 2HD PRO 31 -5.465 1.057 14.752 237 H ILE 32 H ILE 32 -8.607 -0.134 10.593 238 HA ILE 32 HA ILE 32 -7.743 2.043 8.781 239 HB ILE 32 HB ILE 32 -9.017 -0.635 8.143 240 1HG1 ILE 32 1HG1 ILE 32 -6.502 -0.296 9.206 241 2HG1 ILE 32 2HG1 ILE 32 -6.964 -1.613 8.138 242 1HG2 ILE 32 1HG2 ILE 32 -8.085 1.697 6.562 243 2HG2 ILE 32 2HG2 ILE 32 -7.758 0.097 5.902 244 3HG2 ILE 32 3HG2 ILE 32 -9.414 0.584 6.253 245 1HD1 ILE 32 1HD1 ILE 32 -6.095 0.939 6.856 246 2HD1 ILE 32 2HD1 ILE 32 -4.854 -0.074 7.601 247 3HD1 ILE 32 3HD1 ILE 32 -5.879 -0.729 6.319 248 H VAL 33 H VAL 33 -9.738 2.980 10.308 249 HA VAL 33 HA VAL 33 -12.408 2.563 9.673 250 HB VAL 33 HB VAL 33 -12.527 5.206 9.915 251 1HG1 VAL 33 1HG1 VAL 33 -12.544 3.004 11.670 252 2HG1 VAL 33 2HG1 VAL 33 -11.507 4.206 12.437 253 3HG1 VAL 33 3HG1 VAL 33 -13.163 4.623 12.000 254 1HG2 VAL 33 1HG2 VAL 33 -9.827 5.000 9.640 255 2HG2 VAL 33 2HG2 VAL 33 -10.613 6.293 10.546 256 3HG2 VAL 33 3HG2 VAL 33 -9.975 4.888 11.395 257 H GLY 34 H GLY 34 -13.762 4.265 8.292 258 1HA GLY 34 1HA GLY 34 -14.380 4.794 6.085 259 2HA GLY 34 2HA GLY 34 -12.989 3.862 5.534 260 H THR 35 H THR 35 -11.756 5.977 7.719 261 HA THR 35 HA THR 35 -11.353 8.113 5.688 262 HB THR 35 HB THR 35 -10.481 8.967 8.258 263 HG1 THR 35 HG1 THR 35 -11.779 7.449 9.204 264 1HG2 THR 35 1HG2 THR 35 -11.449 10.291 6.331 265 2HG2 THR 35 2HG2 THR 35 -13.036 9.686 6.804 266 3HG2 THR 35 3HG2 THR 35 -12.113 10.699 7.913 267 H THR 36 H THR 36 -9.830 5.445 6.879 268 HA THR 36 HA THR 36 -7.187 6.788 6.970 269 HB THR 36 HB THR 36 -6.424 4.460 7.755 270 HG1 THR 36 HG1 THR 36 -8.645 3.674 7.057 271 1HG2 THR 36 1HG2 THR 36 -8.320 6.212 9.328 272 2HG2 THR 36 2HG2 THR 36 -7.288 4.974 10.058 273 3HG2 THR 36 3HG2 THR 36 -6.562 6.363 9.227 274 H ARG 37 H ARG 37 -8.843 4.146 5.198 275 HA ARG 37 HA ARG 37 -6.835 3.047 3.739 276 1HB ARG 37 1HB ARG 37 -9.300 4.166 2.397 277 2HB ARG 37 2HB ARG 37 -8.247 2.923 1.747 278 1HG ARG 37 1HG ARG 37 -9.702 1.473 2.705 279 2HG ARG 37 2HG ARG 37 -8.798 1.830 4.184 280 1HD ARG 37 1HD ARG 37 -11.613 2.468 3.584 281 2HD ARG 37 2HD ARG 37 -10.758 2.678 5.113 282 HE ARG 37 HE ARG 37 -10.031 4.934 4.245 283 1HH1 ARG 37 1HH1 ARG 37 -13.086 3.621 3.679 284 2HH1 ARG 37 2HH1 ARG 37 -13.589 4.838 2.556 285 1HH2 ARG 37 1HH2 ARG 37 -10.469 6.340 2.377 286 2HH2 ARG 37 2HH2 ARG 37 -12.108 6.377 1.818 287 H LYS 38 H LYS 38 -8.155 6.296 2.875 288 HA LYS 38 HA LYS 38 -6.395 6.902 0.774 289 1HB LYS 38 1HB LYS 38 -8.024 8.404 2.659 290 2HB LYS 38 2HB LYS 38 -6.513 9.247 2.321 291 1HG LYS 38 1HG LYS 38 -7.016 8.739 -0.166 292 2HG LYS 38 2HG LYS 38 -8.656 8.385 0.379 293 1HD LYS 38 1HD LYS 38 -8.848 10.624 1.350 294 2HD LYS 38 2HD LYS 38 -7.179 10.983 0.904 295 1HE LYS 38 1HE LYS 38 -7.843 11.618 -1.150 296 2HE LYS 38 2HE LYS 38 -8.571 10.034 -1.421 297 1HZ LYS 38 1HZ LYS 38 -10.348 11.170 0.225 298 2HZ LYS 38 2HZ LYS 38 -9.810 12.528 -0.637 299 3HZ LYS 38 3HZ LYS 38 -10.466 11.200 -1.469 300 H LEU 39 H LEU 39 -5.922 7.415 4.257 301 HA LEU 39 HA LEU 39 -3.284 8.370 4.292 302 1HB LEU 39 1HB LEU 39 -4.661 8.167 6.361 303 2HB LEU 39 2HB LEU 39 -4.622 6.413 6.200 304 HG LEU 39 HG LEU 39 -2.161 6.439 6.445 305 1HD1 LEU 39 1HD1 LEU 39 -3.728 7.841 8.639 306 2HD1 LEU 39 2HD1 LEU 39 -3.551 6.097 8.433 307 3HD1 LEU 39 3HD1 LEU 39 -2.151 7.081 8.866 308 1HD2 LEU 39 1HD2 LEU 39 -2.672 9.381 6.445 309 2HD2 LEU 39 2HD2 LEU 39 -1.439 8.787 7.555 310 3HD2 LEU 39 3HD2 LEU 39 -1.279 8.487 5.823 311 H TYR 40 H TYR 40 -4.257 4.992 4.765 312 HA TYR 40 HA TYR 40 -1.590 3.997 4.475 313 1HB TYR 40 1HB TYR 40 -4.317 2.685 4.514 314 2HB TYR 40 2HB TYR 40 -2.808 1.777 4.494 315 HD1 TYR 40 HD1 TYR 40 -5.221 3.167 6.612 316 HD2 TYR 40 HD2 TYR 40 -0.972 2.735 6.195 317 HE1 TYR 40 HE1 TYR 40 -4.943 3.592 9.041 318 HE2 TYR 40 HE2 TYR 40 -0.685 3.134 8.623 319 HH TYR 40 HH TYR 40 -1.760 3.324 10.596 320 H GLU 41 H GLU 41 -3.597 5.243 2.184 321 HA GLU 41 HA GLU 41 -3.107 3.333 0.051 322 1HB GLU 41 1HB GLU 41 -4.595 4.606 -1.126 323 2HB GLU 41 2HB GLU 41 -4.862 5.462 0.393 324 1HG GLU 41 1HG GLU 41 -3.138 7.092 -0.190 325 2HG GLU 41 2HG GLU 41 -2.767 6.180 -1.649 326 H LYS 42 H LYS 42 -1.360 5.828 1.624 327 HA LYS 42 HA LYS 42 0.658 5.688 -0.535 328 1HB LYS 42 1HB LYS 42 -0.200 7.954 -0.392 329 2HB LYS 42 2HB LYS 42 0.000 7.965 1.358 330 1HG LYS 42 1HG LYS 42 1.815 9.145 -0.055 331 2HG LYS 42 2HG LYS 42 2.360 8.036 1.204 332 1HD LYS 42 1HD LYS 42 3.623 7.524 -0.774 333 2HD LYS 42 2HD LYS 42 2.448 6.232 -0.564 334 1HE LYS 42 1HE LYS 42 1.085 8.140 -2.081 335 2HE LYS 42 2HE LYS 42 2.716 8.156 -2.749 336 1HZ LYS 42 1HZ LYS 42 1.113 5.700 -2.316 337 2HZ LYS 42 2HZ LYS 42 1.236 6.502 -3.802 338 3HZ LYS 42 3HZ LYS 42 2.611 5.800 -3.096 339 H LYS 43 H LYS 43 0.063 5.816 2.954 340 HA LYS 43 HA LYS 43 2.653 5.681 3.978 341 1HB LYS 43 1HB LYS 43 0.043 5.179 4.976 342 2HB LYS 43 2HB LYS 43 1.036 3.772 5.397 343 1HG LYS 43 1HG LYS 43 1.600 5.103 7.173 344 2HG LYS 43 2HG LYS 43 2.774 5.733 6.023 345 1HD LYS 43 1HD LYS 43 1.444 7.643 5.551 346 2HD LYS 43 2HD LYS 43 0.006 6.920 6.273 347 1HE LYS 43 1HE LYS 43 2.365 7.204 8.056 348 2HE LYS 43 2HE LYS 43 1.569 8.702 7.577 349 1HZ LYS 43 1HZ LYS 43 -0.378 6.782 8.230 350 2HZ LYS 43 2HZ LYS 43 0.743 6.874 9.503 351 3HZ LYS 43 3HZ LYS 43 -0.064 8.272 8.984 352 H LEU 44 H LEU 44 0.640 3.009 2.764 353 HA LEU 44 HA LEU 44 2.853 1.140 3.206 354 1HB LEU 44 1HB LEU 44 1.160 -0.273 3.540 355 2HB LEU 44 2HB LEU 44 0.034 1.030 3.180 356 HG LEU 44 HG LEU 44 0.666 0.357 0.684 357 1HD1 LEU 44 1HD1 LEU 44 -1.487 0.306 2.267 358 2HD1 LEU 44 2HD1 LEU 44 -1.496 -0.363 0.635 359 3HD1 LEU 44 3HD1 LEU 44 -1.277 -1.427 2.026 360 1HD2 LEU 44 1HD2 LEU 44 1.967 -1.620 2.165 361 2HD2 LEU 44 2HD2 LEU 44 0.439 -2.384 1.720 362 3HD2 LEU 44 3HD2 LEU 44 1.512 -1.763 0.462 363 H LEU 45 H LEU 45 1.415 3.016 0.694 364 HA LEU 45 HA LEU 45 2.262 1.518 -1.580 365 1HB LEU 45 1HB LEU 45 0.998 3.972 -1.203 366 2HB LEU 45 2HB LEU 45 2.514 4.387 -1.939 367 HG LEU 45 HG LEU 45 1.302 2.120 -3.245 368 1HD1 LEU 45 1HD1 LEU 45 3.197 3.872 -3.837 369 2HD1 LEU 45 2HD1 LEU 45 2.187 3.180 -5.102 370 3HD1 LEU 45 3HD1 LEU 45 1.834 4.785 -4.474 371 1HD2 LEU 45 1HD2 LEU 45 -0.142 4.774 -3.180 372 2HD2 LEU 45 2HD2 LEU 45 -0.445 3.514 -4.372 373 3HD2 LEU 45 3HD2 LEU 45 -0.783 3.220 -2.671 374 H LYS 46 H LYS 46 3.904 3.806 0.537 375 HA LYS 46 HA LYS 46 6.204 4.182 -1.092 376 1HB LYS 46 1HB LYS 46 5.620 5.559 0.928 377 2HB LYS 46 2HB LYS 46 6.105 4.197 1.938 378 1HG LYS 46 1HG LYS 46 8.155 4.742 -0.020 379 2HG LYS 46 2HG LYS 46 7.773 6.215 0.873 380 1HD LYS 46 1HD LYS 46 7.880 4.657 2.975 381 2HD LYS 46 2HD LYS 46 8.789 3.580 1.915 382 1HE LYS 46 1HE LYS 46 10.542 4.842 2.716 383 2HE LYS 46 2HE LYS 46 10.077 5.865 1.358 384 1HZ LYS 46 1HZ LYS 46 9.065 6.175 4.132 385 2HZ LYS 46 2HZ LYS 46 10.319 7.099 3.454 386 3HZ LYS 46 3HZ LYS 46 8.750 7.205 2.818 387 H LEU 47 H LEU 47 5.180 1.596 0.975 388 HA LEU 47 HA LEU 47 7.841 0.290 0.945 389 1HB LEU 47 1HB LEU 47 5.173 -0.603 2.070 390 2HB LEU 47 2HB LEU 47 6.712 -1.426 2.323 391 HG LEU 47 HG LEU 47 6.358 1.471 3.074 392 1HD1 LEU 47 1HD1 LEU 47 8.404 -0.596 3.307 393 2HD1 LEU 47 2HD1 LEU 47 8.543 1.144 3.562 394 3HD1 LEU 47 3HD1 LEU 47 8.001 0.100 4.876 395 1HD2 LEU 47 1HD2 LEU 47 5.036 -0.838 4.223 396 2HD2 LEU 47 2HD2 LEU 47 6.150 -0.125 5.392 397 3HD2 LEU 47 3HD2 LEU 47 4.880 0.865 4.672 398 H ARG 48 H ARG 48 4.829 0.286 -0.724 399 HA ARG 48 HA ARG 48 5.513 -2.275 -2.093 400 1HB ARG 48 1HB ARG 48 3.365 -2.688 -1.449 401 2HB ARG 48 2HB ARG 48 3.013 -0.988 -1.200 402 1HG ARG 48 1HG ARG 48 3.178 -2.215 -3.961 403 2HG ARG 48 2HG ARG 48 1.682 -2.155 -3.035 404 1HD ARG 48 1HD ARG 48 2.804 0.426 -2.850 405 2HD ARG 48 2HD ARG 48 2.960 -0.031 -4.536 406 HE ARG 48 HE ARG 48 0.687 0.668 -4.533 407 1HH1 ARG 48 1HH1 ARG 48 1.236 -0.610 -1.456 408 2HH1 ARG 48 2HH1 ARG 48 -0.369 -1.225 -1.256 409 1HH2 ARG 48 1HH2 ARG 48 -1.332 -0.489 -4.508 410 2HH2 ARG 48 2HH2 ARG 48 -1.835 -1.144 -2.987 411 H GLU 49 H GLU 49 6.164 0.845 -2.518 412 HA GLU 49 HA GLU 49 5.293 1.104 -5.299 413 1HB GLU 49 1HB GLU 49 5.184 3.157 -4.166 414 2HB GLU 49 2HB GLU 49 6.677 2.857 -3.279 415 1HG GLU 49 1HG GLU 49 7.956 3.697 -4.924 416 2HG GLU 49 2HG GLU 49 7.020 2.896 -6.181 417 H GLN 50 H GLN 50 6.614 -1.025 -5.517 418 HA GLN 50 HA GLN 50 8.584 -2.144 -6.196 419 1HB GLN 50 1HB GLN 50 9.544 -1.166 -8.172 420 2HB GLN 50 2HB GLN 50 7.827 -0.755 -8.180 421 1HG GLN 50 1HG GLN 50 8.270 1.470 -7.401 422 2HG GLN 50 2HG GLN 50 9.951 1.079 -7.039 423 2HE2 GLN 50 2HE2 GLN 50 11.264 0.331 -9.063 424 1HE2 GLN 50 1HE2 GLN 50 10.933 1.130 -10.523 425 H GLY 51 H GLY 51 11.069 -0.847 -7.008 426 1HA GLY 51 1HA GLY 51 12.017 0.097 -4.330 427 2HA GLY 51 2HA GLY 51 12.683 0.702 -5.848 428 H THR 52 H THR 52 14.427 -0.392 -4.021 429 HA THR 52 HA THR 52 15.094 -3.025 -5.277 430 HB THR 52 HB THR 52 17.478 -2.425 -4.652 431 HG1 THR 52 HG1 THR 52 17.871 -0.323 -4.080 432 1HG2 THR 52 1HG2 THR 52 15.941 -0.643 -6.559 433 2HG2 THR 52 2HG2 THR 52 17.701 -0.745 -6.510 434 3HG2 THR 52 3HG2 THR 52 16.747 -2.165 -6.943 435 H GLU 53 H GLU 53 13.886 -4.159 -3.620 436 HA GLU 53 HA GLU 53 15.241 -4.108 -0.951 437 1HB GLU 53 1HB GLU 53 13.141 -4.597 0.106 438 2HB GLU 53 2HB GLU 53 12.838 -3.261 -1.000 439 1HG GLU 53 1HG GLU 53 12.430 -5.438 -2.625 440 2HG GLU 53 2HG GLU 53 11.823 -6.016 -1.074 441 H SER 54 H SER 54 15.743 -5.773 -3.419 442 HA SER 54 HA SER 54 16.026 -8.043 -3.981 443 1HB SER 54 1HB SER 54 16.956 -9.384 -2.187 444 2HB SER 54 2HB SER 54 17.547 -7.733 -1.993 445 HG SER 54 HG SER 54 16.587 -7.662 -0.147 446 H ARG 55 H ARG 55 15.213 -10.155 -1.866 447 HA ARG 55 HA ARG 55 13.321 -11.483 -1.472 448 1HB ARG 55 1HB ARG 55 12.450 -9.690 -0.149 449 2HB ARG 55 2HB ARG 55 12.079 -8.723 -1.578 450 1HG ARG 55 1HG ARG 55 10.198 -9.976 -2.105 451 2HG ARG 55 2HG ARG 55 10.823 -11.433 -1.333 452 1HD ARG 55 1HD ARG 55 9.688 -8.969 0.028 453 2HD ARG 55 2HD ARG 55 9.025 -10.607 0.048 454 HE ARG 55 HE ARG 55 11.656 -10.788 1.129 455 1HH1 ARG 55 1HH1 ARG 55 8.538 -10.884 2.138 456 2HH1 ARG 55 2HH1 ARG 55 8.789 -10.161 3.692 457 1HH2 ARG 55 1HH2 ARG 55 12.028 -9.142 2.987 458 2HH2 ARG 55 2HH2 ARG 55 10.766 -9.175 4.172 459 H SER 56 H SER 56 13.839 -12.302 -3.719 460 HA SER 56 HA SER 56 13.006 -13.072 -5.776 461 1HB SER 56 1HB SER 56 10.446 -11.570 -5.401 462 2HB SER 56 2HB SER 56 10.707 -13.195 -6.032 463 HG SER 56 HG SER 56 10.837 -13.981 -4.042 464 H SER 57 H SER 57 14.395 -10.486 -5.473 465 HA SER 57 HA SER 57 14.822 -8.528 -6.709 466 1HB SER 57 1HB SER 57 15.071 -8.933 -8.984 467 2HB SER 57 2HB SER 57 15.014 -10.584 -8.367 468 HG SER 57 HG SER 57 13.587 -10.193 -10.149 No H/Q in entry = 468 Start of MODEL 5 1 H1 ARG 1 H1 ARG 1 10.656 -8.592 -15.555 2 H2 ARG 1 H2 ARG 1 9.572 -9.848 -15.908 3 H3 ARG 1 H3 ARG 1 10.683 -9.331 -17.085 4 HA ARG 1 HA ARG 1 9.544 -7.418 -17.560 5 1HB ARG 1 1HB ARG 1 7.926 -9.818 -17.108 6 2HB ARG 1 2HB ARG 1 6.957 -8.359 -16.943 7 1HG ARG 1 1HG ARG 1 7.273 -9.522 -19.305 8 2HG ARG 1 2HG ARG 1 7.221 -7.766 -19.180 9 1HD ARG 1 1HD ARG 1 9.555 -7.562 -19.459 10 2HD ARG 1 2HD ARG 1 9.855 -9.231 -18.960 11 HE ARG 1 HE ARG 1 8.277 -9.279 -21.360 12 1HH1 ARG 1 1HH1 ARG 1 9.746 -10.758 -22.595 13 2HH1 ARG 1 2HH1 ARG 1 11.273 -10.068 -23.036 14 1HH2 ARG 1 1HH2 ARG 1 10.975 -7.367 -20.880 15 2HH2 ARG 1 2HH2 ARG 1 11.969 -8.148 -22.065 16 H GLN 2 H GLN 2 9.158 -8.510 -14.296 17 HA GLN 2 HA GLN 2 8.273 -7.455 -12.383 18 1HB GLN 2 1HB GLN 2 9.209 -5.270 -12.004 19 2HB GLN 2 2HB GLN 2 10.393 -6.185 -12.934 20 1HG GLN 2 1HG GLN 2 9.844 -5.049 -14.950 21 2HG GLN 2 2HG GLN 2 8.354 -4.395 -14.268 22 2HE2 GLN 2 2HE2 GLN 2 9.969 -2.477 -15.319 23 1HE2 GLN 2 1HE2 GLN 2 10.807 -1.629 -14.110 24 H GLU 3 H GLU 3 7.140 -5.008 -11.896 25 HA GLU 3 HA GLU 3 5.082 -4.494 -13.944 26 1HB GLU 3 1HB GLU 3 4.057 -6.333 -12.741 27 2HB GLU 3 2HB GLU 3 4.429 -5.581 -11.190 28 1HG GLU 3 1HG GLU 3 2.442 -4.526 -11.286 29 2HG GLU 3 2HG GLU 3 3.030 -3.634 -12.688 30 H ASP 4 H ASP 4 4.638 -3.838 -10.526 31 HA ASP 4 HA ASP 4 5.947 -1.300 -10.422 32 1HB ASP 4 1HB ASP 4 3.479 -1.322 -11.892 33 2HB ASP 4 2HB ASP 4 3.245 -0.399 -10.407 34 H LYS 5 H LYS 5 3.276 -3.330 -9.345 35 HA LYS 5 HA LYS 5 2.758 -3.970 -7.133 36 1HB LYS 5 1HB LYS 5 5.263 -2.836 -6.793 37 2HB LYS 5 2HB LYS 5 4.247 -1.877 -5.729 38 1HG LYS 5 1HG LYS 5 4.734 -4.854 -5.673 39 2HG LYS 5 2HG LYS 5 4.940 -3.679 -4.376 40 1HD LYS 5 1HD LYS 5 2.878 -4.216 -3.660 41 2HD LYS 5 2HD LYS 5 2.244 -3.455 -5.116 42 1HE LYS 5 1HE LYS 5 1.401 -5.754 -4.925 43 2HE LYS 5 2HE LYS 5 2.465 -5.616 -6.323 44 1HZ LYS 5 1HZ LYS 5 3.305 -6.592 -3.648 45 2HZ LYS 5 2HZ LYS 5 2.918 -7.592 -4.961 46 3HZ LYS 5 3HZ LYS 5 4.258 -6.552 -5.054 47 H ASP 6 H ASP 6 3.362 -0.420 -7.022 48 HA ASP 6 HA ASP 6 0.936 0.113 -5.580 49 1HB ASP 6 1HB ASP 6 1.293 2.484 -6.712 50 2HB ASP 6 2HB ASP 6 2.373 1.918 -5.439 51 H ASP 7 H ASP 7 1.346 -0.912 -8.762 52 HA ASP 7 HA ASP 7 -0.450 0.440 -10.349 53 1HB ASP 7 1HB ASP 7 0.801 -1.859 -10.719 54 2HB ASP 7 2HB ASP 7 -0.737 -2.545 -10.196 55 H LEU 8 H LEU 8 -1.159 -1.511 -7.515 56 HA LEU 8 HA LEU 8 -4.020 -1.628 -7.958 57 1HB LEU 8 1HB LEU 8 -2.580 -3.082 -6.342 58 2HB LEU 8 2HB LEU 8 -2.711 -1.721 -5.231 59 HG LEU 8 HG LEU 8 -5.313 -2.361 -6.344 60 1HD1 LEU 8 1HD1 LEU 8 -3.664 -4.622 -5.973 61 2HD1 LEU 8 2HD1 LEU 8 -4.747 -4.570 -4.581 62 3HD1 LEU 8 3HD1 LEU 8 -5.411 -4.602 -6.214 63 1HD2 LEU 8 1HD2 LEU 8 -4.044 -1.718 -3.807 64 2HD2 LEU 8 2HD2 LEU 8 -5.700 -1.413 -4.340 65 3HD2 LEU 8 3HD2 LEU 8 -5.277 -2.967 -3.620 66 H ASP 9 H ASP 9 -5.575 -0.154 -7.278 67 HA ASP 9 HA ASP 9 -4.926 2.565 -7.059 68 1HB ASP 9 1HB ASP 9 -7.297 0.909 -6.708 69 2HB ASP 9 2HB ASP 9 -7.299 2.285 -5.606 70 H VAL 10 H VAL 10 -4.681 0.114 -4.650 71 HA VAL 10 HA VAL 10 -4.329 0.149 -2.348 72 HB VAL 10 HB VAL 10 -2.288 1.015 -3.596 73 1HG1 VAL 10 1HG1 VAL 10 -3.203 3.549 -2.299 74 2HG1 VAL 10 2HG1 VAL 10 -1.575 3.282 -2.915 75 3HG1 VAL 10 3HG1 VAL 10 -2.946 3.261 -4.016 76 1HG2 VAL 10 1HG2 VAL 10 -2.864 1.099 -0.702 77 2HG2 VAL 10 2HG2 VAL 10 -1.746 0.078 -1.597 78 3HG2 VAL 10 3HG2 VAL 10 -1.313 1.749 -1.239 79 H THR 11 H THR 11 -6.493 2.085 -3.436 80 HA THR 11 HA THR 11 -6.815 3.486 -0.836 81 HB THR 11 HB THR 11 -6.054 5.278 -2.224 82 HG1 THR 11 HG1 THR 11 -8.033 6.493 -2.451 83 1HG2 THR 11 1HG2 THR 11 -6.951 3.759 -4.337 84 2HG2 THR 11 2HG2 THR 11 -8.101 5.092 -4.316 85 3HG2 THR 11 3HG2 THR 11 -6.373 5.418 -4.455 86 H GLU 12 H GLU 12 -8.529 2.870 -3.945 87 HA GLU 12 HA GLU 12 -11.124 2.842 -2.709 88 1HB GLU 12 1HB GLU 12 -11.936 1.951 -4.771 89 2HB GLU 12 2HB GLU 12 -10.594 3.000 -5.223 90 1HG GLU 12 1HG GLU 12 -9.492 1.273 -6.147 91 2HG GLU 12 2HG GLU 12 -9.610 0.338 -4.658 92 H LEU 13 H LEU 13 -8.499 0.641 -2.876 93 HA LEU 13 HA LEU 13 -9.431 -1.894 -2.608 94 1HB LEU 13 1HB LEU 13 -7.397 -2.360 -1.602 95 2HB LEU 13 2HB LEU 13 -7.061 -0.732 -2.175 96 HG LEU 13 HG LEU 13 -7.984 -1.507 0.587 97 1HD1 LEU 13 1HD1 LEU 13 -5.595 -1.978 0.070 98 2HD1 LEU 13 2HD1 LEU 13 -5.393 -0.311 -0.464 99 3HD1 LEU 13 3HD1 LEU 13 -5.738 -0.656 1.228 100 1HD2 LEU 13 1HD2 LEU 13 -8.802 0.745 -0.435 101 2HD2 LEU 13 2HD2 LEU 13 -8.083 0.746 1.170 102 3HD2 LEU 13 3HD2 LEU 13 -7.128 1.254 -0.222 103 H THR 14 H THR 14 -9.983 -3.247 -0.710 104 HA THR 14 HA THR 14 -12.056 -1.891 0.856 105 HB THR 14 HB THR 14 -12.854 -4.033 1.389 106 HG1 THR 14 HG1 THR 14 -10.145 -4.762 1.142 107 1HG2 THR 14 1HG2 THR 14 -12.253 -3.513 -1.212 108 2HG2 THR 14 2HG2 THR 14 -11.382 -5.029 -0.980 109 3HG2 THR 14 3HG2 THR 14 -13.118 -4.956 -0.681 110 H ASN 15 H ASN 15 -12.190 -2.643 3.291 111 HA ASN 15 HA ASN 15 -9.777 -1.619 4.579 112 1HB ASN 15 1HB ASN 15 -11.945 -2.785 6.235 113 2HB ASN 15 2HB ASN 15 -11.079 -1.260 6.418 114 2HD2 ASN 15 2HD2 ASN 15 -11.540 0.044 4.021 115 1HD2 ASN 15 1HD2 ASN 15 -13.203 0.268 3.771 116 H GLU 16 H GLU 16 -11.381 -4.787 4.340 117 HA GLU 16 HA GLU 16 -9.423 -5.968 6.201 118 1HB GLU 16 1HB GLU 16 -11.601 -7.245 4.517 119 2HB GLU 16 2HB GLU 16 -10.604 -8.101 5.690 120 1HG GLU 16 1HG GLU 16 -11.650 -5.784 6.982 121 2HG GLU 16 2HG GLU 16 -12.986 -6.585 6.154 122 H ASP 17 H ASP 17 -10.299 -6.379 2.770 123 HA ASP 17 HA ASP 17 -8.203 -8.152 2.093 124 1HB ASP 17 1HB ASP 17 -10.209 -6.739 0.690 125 2HB ASP 17 2HB ASP 17 -8.683 -6.319 -0.082 126 H LEU 18 H LEU 18 -7.952 -4.821 2.986 127 HA LEU 18 HA LEU 18 -5.359 -4.646 1.561 128 1HB LEU 18 1HB LEU 18 -5.349 -2.358 1.876 129 2HB LEU 18 2HB LEU 18 -7.051 -2.706 1.617 130 HG LEU 18 HG LEU 18 -7.285 -2.743 4.153 131 1HD1 LEU 18 1HD1 LEU 18 -4.426 -2.200 3.856 132 2HD1 LEU 18 2HD1 LEU 18 -5.241 -1.021 4.883 133 3HD1 LEU 18 3HD1 LEU 18 -5.314 -2.739 5.276 134 1HD2 LEU 18 1HD2 LEU 18 -7.951 -0.828 2.685 135 2HD2 LEU 18 2HD2 LEU 18 -7.420 -0.313 4.284 136 3HD2 LEU 18 3HD2 LEU 18 -6.340 -0.152 2.904 137 H LEU 19 H LEU 19 -6.651 -5.209 4.723 138 HA LEU 19 HA LEU 19 -4.392 -4.395 6.251 139 1HB LEU 19 1HB LEU 19 -6.510 -6.501 6.700 140 2HB LEU 19 2HB LEU 19 -5.178 -6.309 7.833 141 HG LEU 19 HG LEU 19 -7.426 -4.412 7.217 142 1HD1 LEU 19 1HD1 LEU 19 -6.089 -5.608 9.648 143 2HD1 LEU 19 2HD1 LEU 19 -7.187 -4.230 9.785 144 3HD1 LEU 19 3HD1 LEU 19 -7.773 -5.764 9.135 145 1HD2 LEU 19 1HD2 LEU 19 -4.615 -3.680 7.959 146 2HD2 LEU 19 2HD2 LEU 19 -5.809 -2.766 7.029 147 3HD2 LEU 19 3HD2 LEU 19 -5.928 -2.846 8.783 148 H ASP 20 H ASP 20 -4.808 -6.951 4.000 149 HA ASP 20 HA ASP 20 -2.588 -8.559 5.110 150 1HB ASP 20 1HB ASP 20 -4.753 -9.222 3.562 151 2HB ASP 20 2HB ASP 20 -3.494 -9.069 2.338 152 H GLN 21 H GLN 21 -3.220 -6.108 2.764 153 HA GLN 21 HA GLN 21 -0.748 -6.295 1.314 154 1HB GLN 21 1HB GLN 21 -2.929 -5.451 0.400 155 2HB GLN 21 2HB GLN 21 -2.850 -4.105 1.534 156 1HG GLN 21 1HG GLN 21 -1.936 -3.042 -0.115 157 2HG GLN 21 2HG GLN 21 -0.472 -3.859 0.385 158 2HE2 GLN 21 2HE2 GLN 21 -1.657 -2.967 -2.382 159 1HE2 GLN 21 1HE2 GLN 21 -1.461 -4.363 -3.329 160 H LEU 22 H LEU 22 -1.917 -4.724 4.203 161 HA LEU 22 HA LEU 22 0.479 -2.999 4.356 162 1HB LEU 22 1HB LEU 22 -2.224 -3.018 5.582 163 2HB LEU 22 2HB LEU 22 -0.914 -2.544 6.658 164 HG LEU 22 HG LEU 22 -0.295 -1.170 4.387 165 1HD1 LEU 22 1HD1 LEU 22 -2.550 -1.951 3.479 166 2HD1 LEU 22 2HD1 LEU 22 -3.282 -0.921 4.709 167 3HD1 LEU 22 3HD1 LEU 22 -2.274 -0.210 3.455 168 1HD2 LEU 22 1HD2 LEU 22 -0.854 -0.569 6.988 169 2HD2 LEU 22 2HD2 LEU 22 -0.555 0.647 5.762 170 3HD2 LEU 22 3HD2 LEU 22 -2.207 0.208 6.178 171 H VAL 23 H VAL 23 -1.319 -5.277 6.427 172 HA VAL 23 HA VAL 23 0.577 -5.616 8.448 173 HB VAL 23 HB VAL 23 -1.369 -7.634 7.295 174 1HG1 VAL 23 1HG1 VAL 23 0.641 -7.818 9.463 175 2HG1 VAL 23 2HG1 VAL 23 -0.971 -8.411 9.865 176 3HG1 VAL 23 3HG1 VAL 23 -0.096 -9.098 8.497 177 1HG2 VAL 23 1HG2 VAL 23 -2.111 -5.395 8.442 178 2HG2 VAL 23 2HG2 VAL 23 -2.897 -6.900 8.908 179 3HG2 VAL 23 3HG2 VAL 23 -1.632 -6.213 9.930 180 H LYS 24 H LYS 24 0.939 -6.699 5.137 181 HA LYS 24 HA LYS 24 2.916 -8.641 6.186 182 1HB LYS 24 1HB LYS 24 2.876 -9.746 4.050 183 2HB LYS 24 2HB LYS 24 1.201 -9.377 4.451 184 1HG LYS 24 1HG LYS 24 1.059 -8.299 2.492 185 2HG LYS 24 2HG LYS 24 2.121 -7.072 3.170 186 1HD LYS 24 1HD LYS 24 2.851 -9.482 1.467 187 2HD LYS 24 2HD LYS 24 3.137 -7.787 1.107 188 1HE LYS 24 1HE LYS 24 4.855 -7.650 2.839 189 2HE LYS 24 2HE LYS 24 4.491 -9.292 3.375 190 1HZ LYS 24 1HZ LYS 24 4.935 -9.670 0.775 191 2HZ LYS 24 2HZ LYS 24 5.998 -8.386 1.086 192 3HZ LYS 24 3HZ LYS 24 6.125 -9.826 1.978 193 H TYR 25 H TYR 25 2.761 -5.743 4.226 194 HA TYR 25 HA TYR 25 5.514 -5.933 3.364 195 1HB TYR 25 1HB TYR 25 3.399 -3.830 3.409 196 2HB TYR 25 2HB TYR 25 5.072 -3.290 3.316 197 HD1 TYR 25 HD1 TYR 25 6.520 -3.984 1.437 198 HD2 TYR 25 HD2 TYR 25 2.359 -5.016 1.582 199 HE1 TYR 25 HE1 TYR 25 6.583 -4.559 -0.976 200 HE2 TYR 25 HE2 TYR 25 2.411 -5.582 -0.834 201 HH TYR 25 HH TYR 25 5.426 -5.711 -2.619 202 H GLY 26 H GLY 26 4.176 -5.683 6.396 203 1HA GLY 26 1HA GLY 26 6.645 -4.426 7.461 204 2HA GLY 26 2HA GLY 26 5.563 -5.500 8.365 205 H VAL 27 H VAL 27 3.153 -4.277 7.262 206 HA VAL 27 HA VAL 27 3.291 -1.607 8.660 207 HB VAL 27 HB VAL 27 1.400 -2.282 6.392 208 1HG1 VAL 27 1HG1 VAL 27 0.709 -0.464 7.917 209 2HG1 VAL 27 2HG1 VAL 27 2.261 0.339 7.664 210 3HG1 VAL 27 3HG1 VAL 27 1.128 0.180 6.322 211 1HG2 VAL 27 1HG2 VAL 27 4.127 -2.029 6.092 212 2HG2 VAL 27 2HG2 VAL 27 2.936 -1.666 4.838 213 3HG2 VAL 27 3HG2 VAL 27 3.572 -0.373 5.858 214 H ASN 28 H ASN 28 2.072 -1.567 10.467 215 HA ASN 28 HA ASN 28 -0.453 -3.138 10.460 216 1HB ASN 28 1HB ASN 28 0.079 -3.161 13.083 217 2HB ASN 28 2HB ASN 28 0.663 -4.439 12.022 218 2HD2 ASN 28 2HD2 ASN 28 2.903 -3.652 10.859 219 1HD2 ASN 28 1HD2 ASN 28 4.047 -2.986 11.927 220 HA PRO 29 HA PRO 29 -1.472 1.204 11.173 221 1HB PRO 29 1HB PRO 29 -3.844 0.973 9.772 222 2HB PRO 29 2HB PRO 29 -2.300 1.389 9.034 223 1HG PRO 29 1HG PRO 29 -3.892 -1.099 8.980 224 2HG PRO 29 2HG PRO 29 -2.697 -0.509 7.815 225 1HD PRO 29 1HD PRO 29 -2.267 -2.516 9.751 226 2HD PRO 29 2HD PRO 29 -1.009 -1.718 8.813 227 H GLY 30 H GLY 30 -3.280 -1.737 11.871 228 1HA GLY 30 1HA GLY 30 -4.437 -0.438 14.227 229 2HA GLY 30 2HA GLY 30 -4.568 -2.146 13.820 230 HA PRO 31 HA PRO 31 -8.650 -0.317 12.798 231 1HB PRO 31 1HB PRO 31 -9.045 2.313 13.448 232 2HB PRO 31 2HB PRO 31 -9.121 0.996 14.618 233 1HG PRO 31 1HG PRO 31 -7.048 3.080 14.220 234 2HG PRO 31 2HG PRO 31 -7.401 2.116 15.663 235 1HD PRO 31 1HD PRO 31 -5.297 1.710 13.763 236 2HD PRO 31 2HD PRO 31 -5.721 0.636 15.108 237 H ILE 32 H ILE 32 -9.004 -0.273 10.623 238 HA ILE 32 HA ILE 32 -7.920 2.010 9.047 239 HB ILE 32 HB ILE 32 -9.129 -0.577 8.054 240 1HG1 ILE 32 1HG1 ILE 32 -6.750 -0.414 9.384 241 2HG1 ILE 32 2HG1 ILE 32 -7.095 -1.579 8.113 242 1HG2 ILE 32 1HG2 ILE 32 -7.649 1.682 6.707 243 2HG2 ILE 32 2HG2 ILE 32 -8.035 0.150 5.929 244 3HG2 ILE 32 3HG2 ILE 32 -9.332 1.216 6.464 245 1HD1 ILE 32 1HD1 ILE 32 -6.149 1.057 7.156 246 2HD1 ILE 32 2HD1 ILE 32 -4.967 0.110 8.060 247 3HD1 ILE 32 3HD1 ILE 32 -5.727 -0.566 6.622 248 H VAL 33 H VAL 33 -9.807 3.094 10.337 249 HA VAL 33 HA VAL 33 -12.521 2.653 9.751 250 HB VAL 33 HB VAL 33 -12.595 5.311 9.925 251 1HG1 VAL 33 1HG1 VAL 33 -12.804 3.197 11.702 252 2HG1 VAL 33 2HG1 VAL 33 -11.597 4.234 12.461 253 3HG1 VAL 33 3HG1 VAL 33 -13.189 4.879 12.067 254 1HG2 VAL 33 1HG2 VAL 33 -9.913 5.074 9.681 255 2HG2 VAL 33 2HG2 VAL 33 -10.681 6.375 10.589 256 3HG2 VAL 33 3HG2 VAL 33 -10.062 4.958 11.435 257 H GLY 34 H GLY 34 -13.805 4.424 8.309 258 1HA GLY 34 1HA GLY 34 -14.381 4.921 6.089 259 2HA GLY 34 2HA GLY 34 -13.082 3.847 5.580 260 H THR 35 H THR 35 -11.617 5.975 7.615 261 HA THR 35 HA THR 35 -11.079 7.932 5.436 262 HB THR 35 HB THR 35 -10.107 8.920 7.910 263 HG1 THR 35 HG1 THR 35 -11.530 8.299 9.298 264 1HG2 THR 35 1HG2 THR 35 -12.423 9.598 6.095 265 2HG2 THR 35 2HG2 THR 35 -12.030 10.567 7.514 266 3HG2 THR 35 3HG2 THR 35 -10.858 10.400 6.207 267 H THR 36 H THR 36 -9.764 5.253 6.783 268 HA THR 36 HA THR 36 -7.028 6.342 6.951 269 HB THR 36 HB THR 36 -6.510 3.894 7.581 270 HG1 THR 36 HG1 THR 36 -8.969 3.587 6.848 271 1HG2 THR 36 1HG2 THR 36 -8.267 5.771 9.160 272 2HG2 THR 36 2HG2 THR 36 -7.464 4.367 9.883 273 3HG2 THR 36 3HG2 THR 36 -6.504 5.682 9.173 274 H ARG 37 H ARG 37 -8.640 3.706 5.061 275 HA ARG 37 HA ARG 37 -6.608 2.802 3.512 276 1HB ARG 37 1HB ARG 37 -9.101 3.827 2.162 277 2HB ARG 37 2HB ARG 37 -8.072 2.502 1.651 278 1HG ARG 37 1HG ARG 37 -9.550 1.168 2.730 279 2HG ARG 37 2HG ARG 37 -8.714 1.699 4.204 280 1HD ARG 37 1HD ARG 37 -11.471 2.396 3.259 281 2HD ARG 37 2HD ARG 37 -10.795 2.550 4.878 282 HE ARG 37 HE ARG 37 -9.726 4.732 3.977 283 1HH1 ARG 37 1HH1 ARG 37 -10.244 6.298 2.300 284 2HH1 ARG 37 2HH1 ARG 37 -11.914 6.460 1.872 285 1HH2 ARG 37 1HH2 ARG 37 -12.903 3.625 3.609 286 2HH2 ARG 37 2HH2 ARG 37 -13.422 4.944 2.615 287 H LYS 38 H LYS 38 -8.085 6.037 2.929 288 HA LYS 38 HA LYS 38 -6.489 6.770 0.721 289 1HB LYS 38 1HB LYS 38 -8.264 8.240 1.381 290 2HB LYS 38 2HB LYS 38 -7.621 8.389 3.016 291 1HG LYS 38 1HG LYS 38 -6.275 10.084 2.396 292 2HG LYS 38 2HG LYS 38 -5.615 9.134 1.066 293 1HD LYS 38 1HD LYS 38 -6.680 11.095 0.123 294 2HD LYS 38 2HD LYS 38 -7.682 9.695 -0.261 295 1HE LYS 38 1HE LYS 38 -9.427 10.616 0.823 296 2HE LYS 38 2HE LYS 38 -8.472 10.731 2.301 297 1HZ LYS 38 1HZ LYS 38 -7.720 12.690 0.360 298 2HZ LYS 38 2HZ LYS 38 -9.357 12.824 0.797 299 3HZ LYS 38 3HZ LYS 38 -8.154 12.894 1.990 300 H LEU 39 H LEU 39 -5.896 7.336 4.190 301 HA LEU 39 HA LEU 39 -3.284 8.399 4.002 302 1HB LEU 39 1HB LEU 39 -5.031 7.672 6.071 303 2HB LEU 39 2HB LEU 39 -3.687 6.560 6.262 304 HG LEU 39 HG LEU 39 -3.202 9.510 5.952 305 1HD1 LEU 39 1HD1 LEU 39 -3.689 7.940 8.503 306 2HD1 LEU 39 2HD1 LEU 39 -3.101 9.601 8.434 307 3HD1 LEU 39 3HD1 LEU 39 -4.726 9.217 7.865 308 1HD2 LEU 39 1HD2 LEU 39 -1.698 7.117 7.036 309 2HD2 LEU 39 2HD2 LEU 39 -1.247 8.127 5.662 310 3HD2 LEU 39 3HD2 LEU 39 -1.157 8.775 7.303 311 H TYR 40 H TYR 40 -4.124 5.036 4.815 312 HA TYR 40 HA TYR 40 -1.472 4.047 4.449 313 1HB TYR 40 1HB TYR 40 -4.153 2.625 4.463 314 2HB TYR 40 2HB TYR 40 -2.594 1.813 4.599 315 HD1 TYR 40 HD1 TYR 40 -0.971 3.351 6.312 316 HD2 TYR 40 HD2 TYR 40 -5.221 2.786 6.531 317 HE1 TYR 40 HE1 TYR 40 -0.912 3.866 8.737 318 HE2 TYR 40 HE2 TYR 40 -5.159 3.296 8.949 319 HH TYR 40 HH TYR 40 -3.891 3.784 10.699 320 H GLU 41 H GLU 41 -3.593 5.163 2.149 321 HA GLU 41 HA GLU 41 -3.174 3.242 0.021 322 1HB GLU 41 1HB GLU 41 -4.715 4.609 -1.006 323 2HB GLU 41 2HB GLU 41 -4.702 5.599 0.438 324 1HG GLU 41 1HG GLU 41 -3.025 7.047 -0.446 325 2HG GLU 41 2HG GLU 41 -2.668 5.925 -1.755 326 H LYS 42 H LYS 42 -1.314 5.808 1.454 327 HA LYS 42 HA LYS 42 0.660 5.435 -0.717 328 1HB LYS 42 1HB LYS 42 -0.036 7.730 -0.713 329 2HB LYS 42 2HB LYS 42 0.064 7.826 1.044 330 1HG LYS 42 1HG LYS 42 2.004 8.874 -0.259 331 2HG LYS 42 2HG LYS 42 2.448 7.730 1.007 332 1HD LYS 42 1HD LYS 42 3.748 7.131 -0.905 333 2HD LYS 42 2HD LYS 42 2.463 5.938 -0.800 334 1HE LYS 42 1HE LYS 42 1.821 8.365 -2.379 335 2HE LYS 42 2HE LYS 42 3.059 7.324 -3.075 336 1HZ LYS 42 1HZ LYS 42 0.358 6.430 -2.211 337 2HZ LYS 42 2HZ LYS 42 0.828 6.715 -3.814 338 3HZ LYS 42 3HZ LYS 42 1.539 5.455 -2.934 339 H LYS 43 H LYS 43 0.177 5.806 2.778 340 HA LYS 43 HA LYS 43 2.762 5.620 3.775 341 1HB LYS 43 1HB LYS 43 0.118 5.006 4.757 342 2HB LYS 43 2HB LYS 43 1.290 3.827 5.367 343 1HG LYS 43 1HG LYS 43 1.748 6.820 5.451 344 2HG LYS 43 2HG LYS 43 1.009 5.931 6.772 345 1HD LYS 43 1HD LYS 43 2.963 4.782 7.286 346 2HD LYS 43 2HD LYS 43 3.607 4.946 5.654 347 1HE LYS 43 1HE LYS 43 4.533 6.982 6.091 348 2HE LYS 43 2HE LYS 43 3.157 7.504 7.063 349 1HZ LYS 43 1HZ LYS 43 5.175 5.534 7.984 350 2HZ LYS 43 2HZ LYS 43 5.251 7.194 8.331 351 3HZ LYS 43 3HZ LYS 43 3.954 6.262 8.910 352 H LEU 44 H LEU 44 0.730 2.958 2.600 353 HA LEU 44 HA LEU 44 2.902 1.058 3.106 354 1HB LEU 44 1HB LEU 44 1.151 -0.277 3.490 355 2HB LEU 44 2HB LEU 44 0.062 1.020 3.008 356 HG LEU 44 HG LEU 44 0.773 0.222 0.594 357 1HD1 LEU 44 1HD1 LEU 44 -1.449 0.325 1.913 358 2HD1 LEU 44 2HD1 LEU 44 -1.354 -0.719 0.499 359 3HD1 LEU 44 3HD1 LEU 44 -1.215 -1.411 2.116 360 1HD2 LEU 44 1HD2 LEU 44 1.993 -1.706 2.249 361 2HD2 LEU 44 2HD2 LEU 44 0.518 -2.489 1.655 362 3HD2 LEU 44 3HD2 LEU 44 1.709 -1.861 0.510 363 H LEU 45 H LEU 45 1.488 2.901 0.553 364 HA LEU 45 HA LEU 45 2.349 1.343 -1.689 365 1HB LEU 45 1HB LEU 45 0.773 3.439 -1.544 366 2HB LEU 45 2HB LEU 45 2.269 4.339 -1.763 367 HG LEU 45 HG LEU 45 1.722 2.046 -3.615 368 1HD1 LEU 45 1HD1 LEU 45 3.015 4.781 -3.804 369 2HD1 LEU 45 2HD1 LEU 45 3.803 3.209 -3.896 370 3HD1 LEU 45 3HD1 LEU 45 2.754 3.745 -5.206 371 1HD2 LEU 45 1HD2 LEU 45 -0.004 4.392 -3.291 372 2HD2 LEU 45 2HD2 LEU 45 0.642 4.235 -4.925 373 3HD2 LEU 45 3HD2 LEU 45 -0.282 2.912 -4.213 374 H LYS 46 H LYS 46 4.033 3.526 0.494 375 HA LYS 46 HA LYS 46 6.324 3.903 -1.266 376 1HB LYS 46 1HB LYS 46 5.907 4.278 1.713 377 2HB LYS 46 2HB LYS 46 7.472 4.547 0.946 378 1HG LYS 46 1HG LYS 46 6.808 6.587 0.264 379 2HG LYS 46 2HG LYS 46 5.446 5.874 -0.601 380 1HD LYS 46 1HD LYS 46 4.281 7.170 0.906 381 2HD LYS 46 2HD LYS 46 4.451 5.704 1.871 382 1HE LYS 46 1HE LYS 46 6.577 6.679 2.822 383 2HE LYS 46 2HE LYS 46 6.187 8.185 1.992 384 1HZ LYS 46 1HZ LYS 46 4.061 8.212 3.188 385 2HZ LYS 46 2HZ LYS 46 4.530 6.818 4.042 386 3HZ LYS 46 3HZ LYS 46 5.389 8.271 4.242 387 H LEU 47 H LEU 47 5.980 2.024 1.770 388 HA LEU 47 HA LEU 47 8.276 0.416 1.553 389 1HB LEU 47 1HB LEU 47 5.472 -0.424 2.358 390 2HB LEU 47 2HB LEU 47 6.930 -1.342 2.715 391 HG LEU 47 HG LEU 47 6.693 1.523 3.591 392 1HD1 LEU 47 1HD1 LEU 47 8.816 -0.004 3.688 393 2HD1 LEU 47 2HD1 LEU 47 8.383 0.930 5.119 394 3HD1 LEU 47 3HD1 LEU 47 7.986 -0.786 5.032 395 1HD2 LEU 47 1HD2 LEU 47 4.927 -0.582 4.338 396 2HD2 LEU 47 2HD2 LEU 47 6.021 -0.315 5.698 397 3HD2 LEU 47 3HD2 LEU 47 5.060 1.022 5.065 398 H ARG 48 H ARG 48 5.287 0.424 -0.162 399 HA ARG 48 HA ARG 48 5.556 -2.108 -1.517 400 1HB ARG 48 1HB ARG 48 3.379 -1.059 -1.125 401 2HB ARG 48 2HB ARG 48 3.863 0.348 -2.064 402 1HG ARG 48 1HG ARG 48 4.313 -1.476 -3.928 403 2HG ARG 48 2HG ARG 48 3.124 -2.383 -2.993 404 1HD ARG 48 1HD ARG 48 2.752 0.429 -4.083 405 2HD ARG 48 2HD ARG 48 2.021 -1.021 -4.745 406 HE ARG 48 HE ARG 48 0.816 0.461 -2.726 407 1HH1 ARG 48 1HH1 ARG 48 1.461 -2.773 -3.611 408 2HH1 ARG 48 2HH1 ARG 48 0.609 -3.463 -2.275 409 1HH2 ARG 48 1HH2 ARG 48 -0.115 -0.400 -0.832 410 2HH2 ARG 48 2HH2 ARG 48 -0.289 -2.115 -0.700 411 H GLU 49 H GLU 49 4.973 0.668 -3.531 412 HA GLU 49 HA GLU 49 5.948 0.979 -5.697 413 1HB GLU 49 1HB GLU 49 7.765 1.946 -3.504 414 2HB GLU 49 2HB GLU 49 8.237 2.153 -5.191 415 1HG GLU 49 1HG GLU 49 6.068 3.290 -5.631 416 2HG GLU 49 2HG GLU 49 5.662 3.135 -3.921 417 H GLN 50 H GLN 50 6.176 -1.279 -6.311 418 HA GLN 50 HA GLN 50 8.177 -3.086 -5.814 419 1HB GLN 50 1HB GLN 50 6.689 -3.831 -7.433 420 2HB GLN 50 2HB GLN 50 6.728 -2.311 -8.320 421 1HG GLN 50 1HG GLN 50 8.463 -2.994 -9.626 422 2HG GLN 50 2HG GLN 50 9.318 -3.735 -8.274 423 2HE2 GLN 50 2HE2 GLN 50 9.520 -5.951 -8.582 424 1HE2 GLN 50 1HE2 GLN 50 8.357 -6.949 -9.311 425 H GLY 51 H GLY 51 10.377 -3.232 -6.154 426 1HA GLY 51 1HA GLY 51 11.756 -0.798 -7.083 427 2HA GLY 51 2HA GLY 51 12.057 -2.255 -8.032 428 H THR 52 H THR 52 13.780 -0.587 -6.115 429 HA THR 52 HA THR 52 15.517 -1.053 -4.607 430 HB THR 52 HB THR 52 13.606 -3.053 -3.380 431 HG1 THR 52 HG1 THR 52 12.409 -1.240 -3.544 432 1HG2 THR 52 1HG2 THR 52 16.096 -2.638 -2.649 433 2HG2 THR 52 2HG2 THR 52 15.436 -1.170 -1.927 434 3HG2 THR 52 3HG2 THR 52 14.833 -2.748 -1.421 435 H GLU 53 H GLU 53 15.014 -2.806 -7.063 436 HA GLU 53 HA GLU 53 15.808 -4.842 -7.955 437 1HB GLU 53 1HB GLU 53 17.876 -3.365 -7.250 438 2HB GLU 53 2HB GLU 53 18.094 -4.614 -6.023 439 1HG GLU 53 1HG GLU 53 19.014 -5.974 -7.562 440 2HG GLU 53 2HG GLU 53 17.534 -5.901 -8.517 441 H SER 54 H SER 54 14.148 -6.192 -6.987 442 HA SER 54 HA SER 54 14.416 -7.328 -4.358 443 1HB SER 54 1HB SER 54 12.745 -8.998 -5.189 444 2HB SER 54 2HB SER 54 12.259 -7.330 -5.489 445 HG SER 54 HG SER 54 12.180 -7.847 -7.503 446 H ARG 55 H ARG 55 16.171 -7.847 -7.204 447 HA ARG 55 HA ARG 55 16.731 -10.685 -6.759 448 1HB ARG 55 1HB ARG 55 17.436 -8.629 -8.747 449 2HB ARG 55 2HB ARG 55 18.727 -9.781 -8.415 450 1HG ARG 55 1HG ARG 55 17.620 -11.497 -9.407 451 2HG ARG 55 2HG ARG 55 16.085 -11.043 -8.674 452 1HD ARG 55 1HD ARG 55 16.547 -10.840 -11.326 453 2HD ARG 55 2HD ARG 55 15.449 -9.755 -10.467 454 HE ARG 55 HE ARG 55 18.206 -8.748 -10.448 455 1HH1 ARG 55 1HH1 ARG 55 17.942 -6.518 -11.119 456 2HH1 ARG 55 2HH1 ARG 55 17.075 -6.234 -12.591 457 1HH2 ARG 55 1HH2 ARG 55 15.926 -9.495 -12.854 458 2HH2 ARG 55 2HH2 ARG 55 15.934 -7.919 -13.574 459 H SER 56 H SER 56 17.567 -8.035 -5.033 460 HA SER 56 HA SER 56 19.401 -7.466 -3.666 461 1HB SER 56 1HB SER 56 19.930 -9.170 -2.183 462 2HB SER 56 2HB SER 56 18.450 -9.819 -2.886 463 HG SER 56 HG SER 56 20.395 -11.222 -2.816 464 H SER 57 H SER 57 20.072 -7.389 -6.407 465 HA SER 57 HA SER 57 22.557 -8.875 -6.823 466 1HB SER 57 1HB SER 57 21.824 -6.489 -8.475 467 2HB SER 57 2HB SER 57 22.518 -8.029 -8.981 468 HG SER 57 HG SER 57 20.591 -8.854 -9.151 No H/Q in entry = 468 Start of MODEL 6 1 H1 ARG 1 H1 ARG 1 5.062 -8.279 -14.995 2 H2 ARG 1 H2 ARG 1 6.707 -8.680 -14.904 3 H3 ARG 1 H3 ARG 1 5.550 -9.899 -15.159 4 HA ARG 1 HA ARG 1 4.810 -9.873 -12.997 5 1HB ARG 1 1HB ARG 1 7.625 -8.943 -12.485 6 2HB ARG 1 2HB ARG 1 6.731 -10.251 -11.710 7 1HG ARG 1 1HG ARG 1 7.793 -10.226 -14.552 8 2HG ARG 1 2HG ARG 1 8.393 -11.209 -13.215 9 1HD ARG 1 1HD ARG 1 5.498 -11.493 -13.637 10 2HD ARG 1 2HD ARG 1 6.449 -11.998 -15.038 11 HE ARG 1 HE ARG 1 7.657 -13.139 -12.706 12 1HH1 ARG 1 1HH1 ARG 1 4.862 -13.619 -11.876 13 2HH1 ARG 1 2HH1 ARG 1 4.472 -15.109 -12.668 14 1HH2 ARG 1 1HH2 ARG 1 7.112 -14.918 -14.907 15 2HH2 ARG 1 2HH2 ARG 1 5.746 -15.844 -14.385 16 H GLN 2 H GLN 2 3.573 -7.680 -13.471 17 HA GLN 2 HA GLN 2 2.876 -5.624 -12.581 18 1HB GLN 2 1HB GLN 2 4.662 -6.670 -10.382 19 2HB GLN 2 2HB GLN 2 3.875 -5.099 -10.253 20 1HG GLN 2 1HG GLN 2 2.609 -7.079 -9.237 21 2HG GLN 2 2HG GLN 2 1.696 -6.072 -10.361 22 2HE2 GLN 2 2HE2 GLN 2 3.092 -9.262 -9.877 23 1HE2 GLN 2 1HE2 GLN 2 2.482 -9.953 -11.303 24 H GLU 3 H GLU 3 3.511 -3.659 -13.324 25 HA GLU 3 HA GLU 3 6.447 -3.142 -13.532 26 1HB GLU 3 1HB GLU 3 4.723 -3.132 -15.577 27 2HB GLU 3 2HB GLU 3 4.436 -1.489 -15.009 28 1HG GLU 3 1HG GLU 3 6.236 -1.609 -16.738 29 2HG GLU 3 2HG GLU 3 6.811 -0.962 -15.202 30 H ASP 4 H ASP 4 4.423 -2.635 -11.254 31 HA ASP 4 HA ASP 4 5.491 -0.010 -10.538 32 1HB ASP 4 1HB ASP 4 2.539 -0.376 -11.112 33 2HB ASP 4 2HB ASP 4 3.182 0.965 -10.166 34 H LYS 5 H LYS 5 3.273 -2.670 -9.816 35 HA LYS 5 HA LYS 5 3.116 -3.891 -7.794 36 1HB LYS 5 1HB LYS 5 5.453 -2.920 -7.287 37 2HB LYS 5 2HB LYS 5 4.599 -1.673 -6.379 38 1HG LYS 5 1HG LYS 5 5.045 -3.303 -4.742 39 2HG LYS 5 2HG LYS 5 3.389 -3.674 -5.225 40 1HD LYS 5 1HD LYS 5 4.099 -5.485 -6.615 41 2HD LYS 5 2HD LYS 5 5.787 -4.987 -6.522 42 1HE LYS 5 1HE LYS 5 5.899 -5.576 -4.179 43 2HE LYS 5 2HE LYS 5 4.160 -5.869 -4.121 44 1HZ LYS 5 1HZ LYS 5 4.923 -7.471 -6.128 45 2HZ LYS 5 2HZ LYS 5 6.286 -7.553 -5.118 46 3HZ LYS 5 3HZ LYS 5 4.753 -7.975 -4.518 47 H ASP 6 H ASP 6 3.022 -0.355 -7.121 48 HA ASP 6 HA ASP 6 0.711 -0.630 -5.397 49 1HB ASP 6 1HB ASP 6 0.855 1.709 -5.142 50 2HB ASP 6 2HB ASP 6 2.521 1.227 -5.429 51 H ASP 7 H ASP 7 0.824 -1.140 -8.620 52 HA ASP 7 HA ASP 7 -0.973 0.388 -9.998 53 1HB ASP 7 1HB ASP 7 -1.795 -1.723 -11.080 54 2HB ASP 7 2HB ASP 7 -0.036 -1.624 -10.984 55 H LEU 8 H LEU 8 -1.737 -1.725 -7.282 56 HA LEU 8 HA LEU 8 -4.599 -1.629 -7.617 57 1HB LEU 8 1HB LEU 8 -3.204 -3.228 -6.125 58 2HB LEU 8 2HB LEU 8 -3.187 -1.911 -4.956 59 HG LEU 8 HG LEU 8 -5.875 -2.421 -6.008 60 1HD1 LEU 8 1HD1 LEU 8 -4.787 -4.734 -6.063 61 2HD1 LEU 8 2HD1 LEU 8 -4.642 -4.597 -4.311 62 3HD1 LEU 8 3HD1 LEU 8 -6.234 -4.585 -5.068 63 1HD2 LEU 8 1HD2 LEU 8 -4.574 -1.514 -3.642 64 2HD2 LEU 8 2HD2 LEU 8 -6.301 -1.509 -4.002 65 3HD2 LEU 8 3HD2 LEU 8 -5.569 -2.902 -3.204 66 H ASP 9 H ASP 9 -5.994 0.014 -7.086 67 HA ASP 9 HA ASP 9 -5.262 2.636 -6.708 68 1HB ASP 9 1HB ASP 9 -7.687 1.085 -6.214 69 2HB ASP 9 2HB ASP 9 -7.538 2.448 -5.109 70 H VAL 10 H VAL 10 -5.537 0.184 -4.190 71 HA VAL 10 HA VAL 10 -4.960 0.124 -1.969 72 HB VAL 10 HB VAL 10 -2.852 0.590 -3.279 73 1HG1 VAL 10 1HG1 VAL 10 -3.588 3.291 -2.494 74 2HG1 VAL 10 2HG1 VAL 10 -1.914 2.858 -2.201 75 3HG1 VAL 10 3HG1 VAL 10 -2.589 2.731 -3.820 76 1HG2 VAL 10 1HG2 VAL 10 -3.393 0.356 -0.529 77 2HG2 VAL 10 2HG2 VAL 10 -2.049 1.486 -0.707 78 3HG2 VAL 10 3HG2 VAL 10 -1.935 -0.129 -1.395 79 H THR 11 H THR 11 -6.548 2.726 -3.117 80 HA THR 11 HA THR 11 -6.604 3.995 -0.414 81 HB THR 11 HB THR 11 -5.759 5.754 -1.703 82 HG1 THR 11 HG1 THR 11 -8.545 5.995 -2.136 83 1HG2 THR 11 1HG2 THR 11 -7.347 4.502 -3.910 84 2HG2 THR 11 2HG2 THR 11 -6.931 6.210 -4.019 85 3HG2 THR 11 3HG2 THR 11 -5.656 5.000 -3.889 86 H GLU 12 H GLU 12 -8.473 3.169 -3.327 87 HA GLU 12 HA GLU 12 -11.006 3.635 -1.889 88 1HB GLU 12 1HB GLU 12 -11.959 3.716 -3.964 89 2HB GLU 12 2HB GLU 12 -10.301 3.851 -4.542 90 1HG GLU 12 1HG GLU 12 -11.023 2.074 -5.832 91 2HG GLU 12 2HG GLU 12 -10.409 1.193 -4.432 92 H LEU 13 H LEU 13 -8.882 1.068 -2.873 93 HA LEU 13 HA LEU 13 -10.302 -1.255 -2.796 94 1HB LEU 13 1HB LEU 13 -8.292 -2.310 -2.331 95 2HB LEU 13 2HB LEU 13 -7.674 -0.695 -2.678 96 HG LEU 13 HG LEU 13 -8.343 -1.785 0.056 97 1HD1 LEU 13 1HD1 LEU 13 -5.899 -1.627 -1.627 98 2HD1 LEU 13 2HD1 LEU 13 -5.691 -1.161 0.060 99 3HD1 LEU 13 3HD1 LEU 13 -6.297 -2.767 -0.346 100 1HD2 LEU 13 1HD2 LEU 13 -8.651 0.737 -0.377 101 2HD2 LEU 13 2HD2 LEU 13 -7.604 0.273 0.960 102 3HD2 LEU 13 3HD2 LEU 13 -6.899 0.787 -0.569 103 H THR 14 H THR 14 -10.847 -2.805 -1.095 104 HA THR 14 HA THR 14 -12.402 -1.559 0.982 105 HB THR 14 HB THR 14 -12.646 -3.994 1.771 106 HG1 THR 14 HG1 THR 14 -11.479 -4.573 -0.719 107 1HG2 THR 14 1HG2 THR 14 -13.331 -3.071 -1.024 108 2HG2 THR 14 2HG2 THR 14 -13.938 -4.584 -0.352 109 3HG2 THR 14 3HG2 THR 14 -14.362 -3.050 0.407 110 H ASN 15 H ASN 15 -12.105 -2.811 3.297 111 HA ASN 15 HA ASN 15 -9.405 -1.952 4.177 112 1HB ASN 15 1HB ASN 15 -10.518 -2.185 6.493 113 2HB ASN 15 2HB ASN 15 -11.072 -0.874 5.454 114 2HD2 ASN 15 2HD2 ASN 15 -12.056 -3.773 7.097 115 1HD2 ASN 15 1HD2 ASN 15 -13.652 -3.808 6.520 116 H GLU 16 H GLU 16 -11.675 -4.618 4.969 117 HA GLU 16 HA GLU 16 -9.808 -6.224 6.348 118 1HB GLU 16 1HB GLU 16 -12.282 -6.591 6.263 119 2HB GLU 16 2HB GLU 16 -12.095 -7.207 4.623 120 1HG GLU 16 1HG GLU 16 -10.445 -8.889 5.543 121 2HG GLU 16 2HG GLU 16 -10.910 -8.363 7.160 122 H ASP 17 H ASP 17 -9.920 -5.501 3.001 123 HA ASP 17 HA ASP 17 -8.376 -7.957 2.341 124 1HB ASP 17 1HB ASP 17 -9.910 -5.953 0.726 125 2HB ASP 17 2HB ASP 17 -8.633 -6.885 -0.052 126 H LEU 18 H LEU 18 -7.953 -4.473 2.665 127 HA LEU 18 HA LEU 18 -5.366 -4.633 1.284 128 1HB LEU 18 1HB LEU 18 -5.247 -2.357 1.367 129 2HB LEU 18 2HB LEU 18 -6.994 -2.573 1.433 130 HG LEU 18 HG LEU 18 -6.669 -2.540 4.007 131 1HD1 LEU 18 1HD1 LEU 18 -3.995 -2.222 3.114 132 2HD1 LEU 18 2HD1 LEU 18 -4.492 -0.686 3.823 133 3HD1 LEU 18 3HD1 LEU 18 -4.587 -2.170 4.775 134 1HD2 LEU 18 1HD2 LEU 18 -7.704 -0.765 2.513 135 2HD2 LEU 18 2HD2 LEU 18 -7.009 -0.178 4.024 136 3HD2 LEU 18 3HD2 LEU 18 -6.127 0.023 2.511 137 H LEU 19 H LEU 19 -6.565 -5.118 4.440 138 HA LEU 19 HA LEU 19 -4.338 -4.310 5.998 139 1HB LEU 19 1HB LEU 19 -6.357 -6.538 6.321 140 2HB LEU 19 2HB LEU 19 -5.042 -6.344 7.473 141 HG LEU 19 HG LEU 19 -7.311 -4.445 6.877 142 1HD1 LEU 19 1HD1 LEU 19 -6.149 -5.789 9.327 143 2HD1 LEU 19 2HD1 LEU 19 -7.336 -4.486 9.431 144 3HD1 LEU 19 3HD1 LEU 19 -7.759 -6.003 8.638 145 1HD2 LEU 19 1HD2 LEU 19 -4.565 -3.828 7.921 146 2HD2 LEU 19 2HD2 LEU 19 -5.627 -2.841 6.913 147 3HD2 LEU 19 3HD2 LEU 19 -5.946 -3.002 8.638 148 H ASP 20 H ASP 20 -4.676 -6.787 3.637 149 HA ASP 20 HA ASP 20 -2.465 -8.428 4.613 150 1HB ASP 20 1HB ASP 20 -4.480 -8.718 2.679 151 2HB ASP 20 2HB ASP 20 -2.979 -8.646 1.757 152 H GLN 21 H GLN 21 -2.906 -5.820 2.251 153 HA GLN 21 HA GLN 21 -0.249 -5.898 1.194 154 1HB GLN 21 1HB GLN 21 -2.271 -3.617 1.324 155 2HB GLN 21 2HB GLN 21 -0.779 -3.590 0.402 156 1HG GLN 21 1HG GLN 21 -2.210 -5.978 -0.216 157 2HG GLN 21 2HG GLN 21 -3.273 -4.602 -0.427 158 2HE2 GLN 21 2HE2 GLN 21 -2.414 -2.841 -1.910 159 1HE2 GLN 21 1HE2 GLN 21 -1.339 -3.299 -3.122 160 H LEU 22 H LEU 22 -1.628 -4.537 4.077 161 HA LEU 22 HA LEU 22 0.813 -2.926 4.524 162 1HB LEU 22 1HB LEU 22 -1.956 -2.938 5.597 163 2HB LEU 22 2HB LEU 22 -0.682 -2.529 6.745 164 HG LEU 22 HG LEU 22 0.048 -1.116 4.527 165 1HD1 LEU 22 1HD1 LEU 22 -2.263 -1.799 3.604 166 2HD1 LEU 22 2HD1 LEU 22 -2.907 -0.663 4.787 167 3HD1 LEU 22 3HD1 LEU 22 -1.823 -0.095 3.519 168 1HD2 LEU 22 1HD2 LEU 22 -0.466 -0.545 7.108 169 2HD2 LEU 22 2HD2 LEU 22 -0.184 0.698 5.905 170 3HD2 LEU 22 3HD2 LEU 22 -1.832 0.262 6.354 171 H VAL 23 H VAL 23 -1.170 -5.179 6.451 172 HA VAL 23 HA VAL 23 0.695 -5.689 8.459 173 HB VAL 23 HB VAL 23 -1.349 -7.593 7.290 174 1HG1 VAL 23 1HG1 VAL 23 0.520 -7.735 9.586 175 2HG1 VAL 23 2HG1 VAL 23 -1.145 -8.199 9.934 176 3HG1 VAL 23 3HG1 VAL 23 -0.242 -9.037 8.672 177 1HG2 VAL 23 1HG2 VAL 23 -1.968 -5.209 8.262 178 2HG2 VAL 23 2HG2 VAL 23 -2.928 -6.622 8.700 179 3HG2 VAL 23 3HG2 VAL 23 -1.704 -6.009 9.811 180 H LYS 24 H LYS 24 1.113 -6.603 5.134 181 HA LYS 24 HA LYS 24 2.852 -8.783 6.146 182 1HB LYS 24 1HB LYS 24 2.799 -9.797 3.977 183 2HB LYS 24 2HB LYS 24 1.148 -9.284 4.311 184 1HG LYS 24 1HG LYS 24 1.209 -8.133 2.389 185 2HG LYS 24 2HG LYS 24 2.345 -7.035 3.163 186 1HD LYS 24 1HD LYS 24 2.934 -9.460 1.423 187 2HD LYS 24 2HD LYS 24 3.385 -7.791 1.118 188 1HE LYS 24 1HE LYS 24 5.016 -7.844 2.945 189 2HE LYS 24 2HE LYS 24 4.494 -9.470 3.395 190 1HZ LYS 24 1HZ LYS 24 5.150 -10.211 1.165 191 2HZ LYS 24 2HZ LYS 24 5.761 -8.662 0.843 192 3HZ LYS 24 3HZ LYS 24 6.455 -9.609 2.071 193 H TYR 25 H TYR 25 3.016 -5.795 4.310 194 HA TYR 25 HA TYR 25 5.800 -6.170 3.592 195 1HB TYR 25 1HB TYR 25 3.867 -3.886 3.604 196 2HB TYR 25 2HB TYR 25 5.588 -3.514 3.565 197 HD1 TYR 25 HD1 TYR 25 2.762 -4.922 1.741 198 HD2 TYR 25 HD2 TYR 25 7.007 -4.310 1.699 199 HE1 TYR 25 HE1 TYR 25 2.810 -5.453 -0.687 200 HE2 TYR 25 HE2 TYR 25 7.066 -4.845 -0.724 201 HH TYR 25 HH TYR 25 4.604 -4.730 -2.685 202 H GLY 26 H GLY 26 4.326 -5.953 6.544 203 1HA GLY 26 1HA GLY 26 6.783 -4.862 7.778 204 2HA GLY 26 2HA GLY 26 5.581 -5.874 8.597 205 H VAL 27 H VAL 27 3.320 -4.463 7.397 206 HA VAL 27 HA VAL 27 3.641 -1.787 8.746 207 HB VAL 27 HB VAL 27 1.648 -2.439 6.558 208 1HG1 VAL 27 1HG1 VAL 27 1.065 -0.573 8.063 209 2HG1 VAL 27 2HG1 VAL 27 2.641 0.163 7.764 210 3HG1 VAL 27 3HG1 VAL 27 1.474 0.031 6.450 211 1HG2 VAL 27 1HG2 VAL 27 4.355 -2.350 6.160 212 2HG2 VAL 27 2HG2 VAL 27 3.161 -1.865 4.942 213 3HG2 VAL 27 3HG2 VAL 27 3.927 -0.649 5.973 214 H ASN 28 H ASN 28 2.230 -1.206 10.310 215 HA ASN 28 HA ASN 28 -0.223 -2.857 10.715 216 1HB ASN 28 1HB ASN 28 0.558 -2.106 13.287 217 2HB ASN 28 2HB ASN 28 0.694 -3.722 12.601 218 2HD2 ASN 28 2HD2 ASN 28 2.809 -3.838 11.042 219 1HD2 ASN 28 1HD2 ASN 28 4.220 -3.216 11.750 220 HA PRO 29 HA PRO 29 -1.257 1.568 10.632 221 1HB PRO 29 1HB PRO 29 -3.653 1.112 9.343 222 2HB PRO 29 2HB PRO 29 -2.123 1.338 8.503 223 1HG PRO 29 1HG PRO 29 -3.750 -1.074 9.020 224 2HG PRO 29 2HG PRO 29 -2.627 -0.737 7.690 225 1HD PRO 29 1HD PRO 29 -2.086 -2.351 9.942 226 2HD PRO 29 2HD PRO 29 -0.872 -1.747 8.823 227 H GLY 30 H GLY 30 -2.914 -1.202 11.957 228 1HA GLY 30 1HA GLY 30 -4.229 0.556 13.921 229 2HA GLY 30 2HA GLY 30 -4.110 -1.200 14.027 230 HA PRO 31 HA PRO 31 -8.366 -0.575 12.590 231 1HB PRO 31 1HB PRO 31 -9.420 1.879 13.208 232 2HB PRO 31 2HB PRO 31 -9.196 0.605 14.388 233 1HG PRO 31 1HG PRO 31 -7.765 3.105 14.074 234 2HG PRO 31 2HG PRO 31 -7.830 2.043 15.474 235 1HD PRO 31 1HD PRO 31 -5.680 2.258 13.570 236 2HD PRO 31 2HD PRO 31 -5.805 1.139 14.939 237 H ILE 32 H ILE 32 -8.882 -0.534 10.438 238 HA ILE 32 HA ILE 32 -8.094 1.859 8.857 239 HB ILE 32 HB ILE 32 -9.146 -0.758 7.766 240 1HG1 ILE 32 1HG1 ILE 32 -6.836 -0.605 9.225 241 2HG1 ILE 32 2HG1 ILE 32 -7.097 -1.739 7.906 242 1HG2 ILE 32 1HG2 ILE 32 -9.221 1.223 6.291 243 2HG2 ILE 32 2HG2 ILE 32 -7.493 1.461 6.534 244 3HG2 ILE 32 3HG2 ILE 32 -8.074 0.021 5.702 245 1HD1 ILE 32 1HD1 ILE 32 -6.092 0.994 7.230 246 2HD1 ILE 32 2HD1 ILE 32 -4.960 -0.161 7.933 247 3HD1 ILE 32 3HD1 ILE 32 -5.789 -0.539 6.422 248 H VAL 33 H VAL 33 -9.701 3.350 8.984 249 HA VAL 33 HA VAL 33 -12.525 2.437 8.910 250 HB VAL 33 HB VAL 33 -13.077 4.489 9.932 251 1HG1 VAL 33 1HG1 VAL 33 -10.783 5.498 8.365 252 2HG1 VAL 33 2HG1 VAL 33 -12.274 6.322 8.811 253 3HG1 VAL 33 3HG1 VAL 33 -10.946 6.212 9.962 254 1HG2 VAL 33 1HG2 VAL 33 -11.419 3.000 11.228 255 2HG2 VAL 33 2HG2 VAL 33 -10.202 4.203 10.793 256 3HG2 VAL 33 3HG2 VAL 33 -11.592 4.668 11.781 257 H GLY 34 H GLY 34 -14.025 3.925 7.525 258 1HA GLY 34 1HA GLY 34 -14.552 4.896 5.448 259 2HA GLY 34 2HA GLY 34 -13.460 3.666 4.818 260 H THR 35 H THR 35 -11.893 5.889 6.936 261 HA THR 35 HA THR 35 -11.082 7.582 4.650 262 HB THR 35 HB THR 35 -10.044 8.622 7.065 263 HG1 THR 35 HG1 THR 35 -12.807 8.290 7.332 264 1HG2 THR 35 1HG2 THR 35 -12.336 9.364 5.239 265 2HG2 THR 35 2HG2 THR 35 -11.829 10.383 6.586 266 3HG2 THR 35 3HG2 THR 35 -10.710 10.044 5.266 267 H THR 36 H THR 36 -9.778 5.273 6.948 268 HA THR 36 HA THR 36 -7.063 6.093 6.729 269 HB THR 36 HB THR 36 -6.537 3.818 7.557 270 HG1 THR 36 HG1 THR 36 -9.150 3.478 6.732 271 1HG2 THR 36 1HG2 THR 36 -7.126 5.701 9.001 272 2HG2 THR 36 2HG2 THR 36 -8.840 5.299 8.835 273 3HG2 THR 36 3HG2 THR 36 -7.750 4.183 9.679 274 H ARG 37 H ARG 37 -8.612 3.319 4.976 275 HA ARG 37 HA ARG 37 -6.542 2.495 3.441 276 1HB ARG 37 1HB ARG 37 -9.137 3.227 2.092 277 2HB ARG 37 2HB ARG 37 -7.990 1.995 1.593 278 1HG ARG 37 1HG ARG 37 -9.367 0.588 2.722 279 2HG ARG 37 2HG ARG 37 -8.473 1.168 4.139 280 1HD ARG 37 1HD ARG 37 -11.312 1.604 3.466 281 2HD ARG 37 2HD ARG 37 -10.492 1.965 4.973 282 HE ARG 37 HE ARG 37 -9.862 4.175 4.001 283 1HH1 ARG 37 1HH1 ARG 37 -10.186 5.382 1.961 284 2HH1 ARG 37 2HH1 ARG 37 -11.780 5.314 1.289 285 1HH2 ARG 37 1HH2 ARG 37 -12.819 2.713 3.333 286 2HH2 ARG 37 2HH2 ARG 37 -13.271 3.803 2.065 287 H LYS 38 H LYS 38 -8.029 5.709 3.039 288 HA LYS 38 HA LYS 38 -6.543 6.408 0.666 289 1HB LYS 38 1HB LYS 38 -8.605 7.604 1.703 290 2HB LYS 38 2HB LYS 38 -7.437 8.375 2.777 291 1HG LYS 38 1HG LYS 38 -6.241 8.671 0.317 292 2HG LYS 38 2HG LYS 38 -7.949 8.835 -0.084 293 1HD LYS 38 1HD LYS 38 -7.601 11.009 0.541 294 2HD LYS 38 2HD LYS 38 -7.842 10.356 2.162 295 1HE LYS 38 1HE LYS 38 -5.766 11.067 2.676 296 2HE LYS 38 2HE LYS 38 -5.137 9.864 1.551 297 1HZ LYS 38 1HZ LYS 38 -5.792 11.715 -0.175 298 2HZ LYS 38 2HZ LYS 38 -5.559 12.731 1.166 299 3HZ LYS 38 3HZ LYS 38 -4.293 11.740 0.624 300 H LEU 39 H LEU 39 -6.107 7.116 4.136 301 HA LEU 39 HA LEU 39 -3.570 8.379 3.970 302 1HB LEU 39 1HB LEU 39 -5.297 7.749 6.039 303 2HB LEU 39 2HB LEU 39 -4.016 6.572 6.286 304 HG LEU 39 HG LEU 39 -3.547 9.539 6.026 305 1HD1 LEU 39 1HD1 LEU 39 -4.761 8.949 8.104 306 2HD1 LEU 39 2HD1 LEU 39 -3.539 7.729 8.463 307 3HD1 LEU 39 3HD1 LEU 39 -3.101 9.437 8.456 308 1HD2 LEU 39 1HD2 LEU 39 -1.809 7.127 6.595 309 2HD2 LEU 39 2HD2 LEU 39 -1.594 8.332 5.324 310 3HD2 LEU 39 3HD2 LEU 39 -1.296 8.764 7.010 311 H TYR 40 H TYR 40 -4.194 5.014 4.959 312 HA TYR 40 HA TYR 40 -1.512 4.147 4.736 313 1HB TYR 40 1HB TYR 40 -4.126 2.627 4.550 314 2HB TYR 40 2HB TYR 40 -2.549 1.865 4.760 315 HD1 TYR 40 HD1 TYR 40 -5.305 2.768 6.561 316 HD2 TYR 40 HD2 TYR 40 -1.068 3.401 6.558 317 HE1 TYR 40 HE1 TYR 40 -5.384 3.289 8.985 318 HE2 TYR 40 HE2 TYR 40 -1.131 3.922 8.980 319 HH TYR 40 HH TYR 40 -3.134 4.864 10.599 320 H GLU 41 H GLU 41 -3.840 4.812 2.322 321 HA GLU 41 HA GLU 41 -3.208 3.146 0.157 322 1HB GLU 41 1HB GLU 41 -4.342 4.751 -1.053 323 2HB GLU 41 2HB GLU 41 -4.654 5.458 0.515 324 1HG GLU 41 1HG GLU 41 -2.601 6.840 0.301 325 2HG GLU 41 2HG GLU 41 -2.325 6.100 -1.271 326 H LYS 42 H LYS 42 -1.346 5.807 1.565 327 HA LYS 42 HA LYS 42 0.753 5.258 -0.488 328 1HB LYS 42 1HB LYS 42 -0.262 7.612 0.058 329 2HB LYS 42 2HB LYS 42 0.838 7.566 1.427 330 1HG LYS 42 1HG LYS 42 2.095 8.585 -0.324 331 2HG LYS 42 2HG LYS 42 2.648 6.908 -0.311 332 1HD LYS 42 1HD LYS 42 0.377 6.884 -1.941 333 2HD LYS 42 2HD LYS 42 1.223 8.364 -2.398 334 1HE LYS 42 1HE LYS 42 2.843 7.194 -3.454 335 2HE LYS 42 2HE LYS 42 3.075 6.142 -2.056 336 1HZ LYS 42 1HZ LYS 42 1.027 4.960 -2.760 337 2HZ LYS 42 2HZ LYS 42 1.037 5.865 -4.194 338 3HZ LYS 42 3HZ LYS 42 2.316 4.803 -3.856 339 H LYS 43 H LYS 43 0.303 5.660 3.023 340 HA LYS 43 HA LYS 43 2.839 5.329 4.029 341 1HB LYS 43 1HB LYS 43 0.200 4.858 4.994 342 2HB LYS 43 2HB LYS 43 1.207 3.488 5.481 343 1HG LYS 43 1HG LYS 43 2.038 6.375 5.877 344 2HG LYS 43 2HG LYS 43 1.174 5.450 7.102 345 1HD LYS 43 1HD LYS 43 3.023 3.683 6.834 346 2HD LYS 43 2HD LYS 43 3.923 4.926 5.964 347 1HE LYS 43 1HE LYS 43 2.749 5.426 8.705 348 2HE LYS 43 2HE LYS 43 4.360 4.743 8.492 349 1HZ LYS 43 1HZ LYS 43 4.257 6.884 6.781 350 2HZ LYS 43 2HZ LYS 43 3.492 7.437 8.191 351 3HZ LYS 43 3HZ LYS 43 5.072 6.816 8.270 352 H LEU 44 H LEU 44 0.804 2.691 2.731 353 HA LEU 44 HA LEU 44 2.984 0.785 3.227 354 1HB LEU 44 1HB LEU 44 1.270 -0.599 3.475 355 2HB LEU 44 2HB LEU 44 0.144 0.672 3.007 356 HG LEU 44 HG LEU 44 0.779 0.081 0.602 357 1HD1 LEU 44 1HD1 LEU 44 -0.704 -1.887 2.355 358 2HD1 LEU 44 2HD1 LEU 44 -1.382 -0.422 1.647 359 3HD1 LEU 44 3HD1 LEU 44 -0.883 -1.756 0.604 360 1HD2 LEU 44 1HD2 LEU 44 2.356 -1.822 2.158 361 2HD2 LEU 44 2HD2 LEU 44 1.237 -2.673 1.080 362 3HD2 LEU 44 3HD2 LEU 44 2.398 -1.520 0.410 363 H LEU 45 H LEU 45 1.615 2.672 0.658 364 HA LEU 45 HA LEU 45 2.755 1.117 -1.493 365 1HB LEU 45 1HB LEU 45 1.325 3.670 -1.208 366 2HB LEU 45 2HB LEU 45 2.480 3.618 -2.523 367 HG LEU 45 HG LEU 45 1.454 1.570 -3.372 368 1HD1 LEU 45 1HD1 LEU 45 -0.334 1.926 -0.996 369 2HD1 LEU 45 2HD1 LEU 45 -0.631 0.786 -2.308 370 3HD1 LEU 45 3HD1 LEU 45 0.790 0.606 -1.284 371 1HD2 LEU 45 1HD2 LEU 45 -0.462 3.830 -2.812 372 2HD2 LEU 45 2HD2 LEU 45 0.538 3.612 -4.249 373 3HD2 LEU 45 3HD2 LEU 45 -0.799 2.508 -3.937 374 H LYS 46 H LYS 46 4.144 3.137 0.861 375 HA LYS 46 HA LYS 46 6.313 4.073 -0.888 376 1HB LYS 46 1HB LYS 46 5.371 5.054 1.458 377 2HB LYS 46 2HB LYS 46 6.673 4.038 2.076 378 1HG LYS 46 1HG LYS 46 6.949 6.195 -0.041 379 2HG LYS 46 2HG LYS 46 7.507 6.306 1.629 380 1HD LYS 46 1HD LYS 46 8.641 3.935 0.771 381 2HD LYS 46 2HD LYS 46 8.739 4.952 -0.668 382 1HE LYS 46 1HE LYS 46 9.807 5.582 2.097 383 2HE LYS 46 2HE LYS 46 10.745 5.329 0.625 384 1HZ LYS 46 1HZ LYS 46 9.239 7.273 -0.225 385 2HZ LYS 46 2HZ LYS 46 9.126 7.635 1.432 386 3HZ LYS 46 3HZ LYS 46 10.644 7.590 0.670 387 H LEU 47 H LEU 47 5.800 1.667 1.652 388 HA LEU 47 HA LEU 47 8.431 0.470 1.474 389 1HB LEU 47 1HB LEU 47 5.770 -0.692 2.360 390 2HB LEU 47 2HB LEU 47 7.341 -1.425 2.662 391 HG LEU 47 HG LEU 47 6.897 1.400 3.542 392 1HD1 LEU 47 1HD1 LEU 47 8.855 -0.655 3.864 393 2HD1 LEU 47 2HD1 LEU 47 8.880 0.980 4.525 394 3HD1 LEU 47 3HD1 LEU 47 8.150 -0.335 5.448 395 1HD2 LEU 47 1HD2 LEU 47 5.246 -0.821 4.353 396 2HD2 LEU 47 2HD2 LEU 47 6.249 -0.314 5.713 397 3HD2 LEU 47 3HD2 LEU 47 5.193 0.851 4.915 398 H ARG 48 H ARG 48 5.711 0.556 -0.538 399 HA ARG 48 HA ARG 48 6.432 -1.979 -1.932 400 1HB ARG 48 1HB ARG 48 4.163 -2.047 -1.288 401 2HB ARG 48 2HB ARG 48 3.915 -0.345 -1.650 402 1HG ARG 48 1HG ARG 48 4.733 -1.594 -4.066 403 2HG ARG 48 2HG ARG 48 3.490 -2.610 -3.345 404 1HD ARG 48 1HD ARG 48 3.047 0.352 -3.341 405 2HD ARG 48 2HD ARG 48 2.851 -0.500 -4.863 406 HE ARG 48 HE ARG 48 0.790 -0.394 -3.140 407 1HH1 ARG 48 1HH1 ARG 48 2.181 -2.594 -1.549 408 2HH1 ARG 48 2HH1 ARG 48 1.424 -4.008 -2.204 409 1HH2 ARG 48 1HH2 ARG 48 0.150 -2.364 -4.976 410 2HH2 ARG 48 2HH2 ARG 48 0.278 -3.878 -4.148 411 H GLU 49 H GLU 49 4.759 0.897 -3.107 412 HA GLU 49 HA GLU 49 4.993 1.585 -5.458 413 1HB GLU 49 1HB GLU 49 6.606 2.983 -3.377 414 2HB GLU 49 2HB GLU 49 6.862 3.461 -5.054 415 1HG GLU 49 1HG GLU 49 4.063 3.187 -3.986 416 2HG GLU 49 2HG GLU 49 4.988 4.653 -3.660 417 H GLN 50 H GLN 50 6.105 -0.657 -6.004 418 HA GLN 50 HA GLN 50 8.846 -1.030 -6.256 419 1HB GLN 50 1HB GLN 50 7.394 -2.779 -7.000 420 2HB GLN 50 2HB GLN 50 6.582 -1.718 -8.148 421 1HG GLN 50 1HG GLN 50 9.264 -1.617 -8.941 422 2HG GLN 50 2HG GLN 50 9.016 -3.302 -8.492 423 2HE2 GLN 50 2HE2 GLN 50 9.411 -2.837 -11.181 424 1HE2 GLN 50 1HE2 GLN 50 7.953 -2.983 -12.037 425 H GLY 51 H GLY 51 10.462 -0.110 -7.491 426 1HA GLY 51 1HA GLY 51 9.912 1.382 -9.923 427 2HA GLY 51 2HA GLY 51 11.480 1.250 -9.125 428 H THR 52 H THR 52 8.374 2.962 -9.040 429 HA THR 52 HA THR 52 7.792 4.996 -7.996 430 HB THR 52 HB THR 52 10.519 5.070 -6.706 431 HG1 THR 52 HG1 THR 52 9.081 3.975 -4.978 432 1HG2 THR 52 1HG2 THR 52 8.767 6.963 -6.589 433 2HG2 THR 52 2HG2 THR 52 7.845 5.866 -5.560 434 3HG2 THR 52 3HG2 THR 52 9.453 6.396 -5.067 435 H GLU 53 H GLU 53 9.766 4.487 -10.402 436 HA GLU 53 HA GLU 53 10.889 5.829 -11.959 437 1HB GLU 53 1HB GLU 53 8.567 6.987 -11.616 438 2HB GLU 53 2HB GLU 53 9.504 8.213 -10.761 439 1HG GLU 53 1HG GLU 53 10.174 9.092 -12.720 440 2HG GLU 53 2HG GLU 53 10.872 7.542 -13.190 441 H SER 54 H SER 54 13.061 5.950 -11.424 442 HA SER 54 HA SER 54 13.824 7.931 -9.315 443 1HB SER 54 1HB SER 54 14.486 5.433 -9.076 444 2HB SER 54 2HB SER 54 15.640 5.760 -10.370 445 HG SER 54 HG SER 54 16.416 6.068 -8.163 446 H ARG 55 H ARG 55 13.268 8.234 -12.312 447 HA ARG 55 HA ARG 55 15.817 8.830 -13.549 448 1HB ARG 55 1HB ARG 55 13.043 8.821 -14.309 449 2HB ARG 55 2HB ARG 55 13.762 10.363 -14.775 450 1HG ARG 55 1HG ARG 55 14.055 8.724 -16.577 451 2HG ARG 55 2HG ARG 55 15.621 9.137 -15.880 452 1HD ARG 55 1HD ARG 55 15.474 6.712 -16.165 453 2HD ARG 55 2HD ARG 55 15.485 7.106 -14.441 454 HE ARG 55 HE ARG 55 12.746 6.984 -15.303 455 1HH1 ARG 55 1HH1 ARG 55 15.447 4.875 -15.488 456 2HH1 ARG 55 2HH1 ARG 55 14.592 3.495 -14.884 457 1HH2 ARG 55 1HH2 ARG 55 11.670 5.252 -14.249 458 2HH2 ARG 55 2HH2 ARG 55 12.454 3.708 -14.183 459 H SER 56 H SER 56 13.240 10.886 -12.154 460 HA SER 56 HA SER 56 15.122 12.745 -11.030 461 1HB SER 56 1HB SER 56 15.609 13.767 -13.034 462 2HB SER 56 2HB SER 56 14.088 13.272 -13.776 463 HG SER 56 HG SER 56 13.521 15.246 -13.369 464 H SER 57 H SER 57 11.991 13.298 -12.670 465 HA SER 57 HA SER 57 10.897 14.138 -10.025 466 1HB SER 57 1HB SER 57 9.110 15.233 -11.392 467 2HB SER 57 2HB SER 57 10.723 15.838 -11.766 468 HG SER 57 HG SER 57 9.568 13.697 -13.191 No H/Q in entry = 468 Start of MODEL 7 1 H1 ARG 1 H1 ARG 1 2.810 -3.182 -18.095 2 H2 ARG 1 H2 ARG 1 2.768 -2.673 -16.475 3 H3 ARG 1 H3 ARG 1 2.403 -1.578 -17.723 4 HA ARG 1 HA ARG 1 4.645 -1.619 -18.520 5 1HB ARG 1 1HB ARG 1 4.676 -1.356 -15.502 6 2HB ARG 1 2HB ARG 1 5.726 -0.533 -16.654 7 1HG ARG 1 1HG ARG 1 2.753 -0.134 -16.246 8 2HG ARG 1 2HG ARG 1 4.040 1.053 -16.029 9 1HD ARG 1 1HD ARG 1 3.373 -0.258 -18.689 10 2HD ARG 1 2HD ARG 1 2.767 1.326 -18.194 11 HE ARG 1 HE ARG 1 5.613 1.359 -17.908 12 1HH1 ARG 1 1HH1 ARG 1 5.268 3.572 -19.277 13 2HH1 ARG 1 2HH1 ARG 1 5.293 3.224 -20.974 14 1HH2 ARG 1 1HH2 ARG 1 4.732 -0.171 -20.558 15 2HH2 ARG 1 2HH2 ARG 1 4.989 1.106 -21.699 16 H GLN 2 H GLN 2 6.745 -2.127 -16.459 17 HA GLN 2 HA GLN 2 6.886 -5.103 -16.745 18 1HB GLN 2 1HB GLN 2 8.921 -2.952 -17.205 19 2HB GLN 2 2HB GLN 2 9.470 -4.523 -16.622 20 1HG GLN 2 1HG GLN 2 7.806 -4.026 -19.112 21 2HG GLN 2 2HG GLN 2 9.511 -4.473 -19.078 22 2HE2 GLN 2 2HE2 GLN 2 9.598 -6.505 -17.188 23 1HE2 GLN 2 1HE2 GLN 2 8.609 -7.799 -17.663 24 H GLU 3 H GLU 3 6.659 -2.575 -14.559 25 HA GLU 3 HA GLU 3 6.948 -4.245 -12.271 26 1HB GLU 3 1HB GLU 3 9.076 -3.672 -11.390 27 2HB GLU 3 2HB GLU 3 9.406 -3.983 -13.095 28 1HG GLU 3 1HG GLU 3 9.135 -1.505 -13.510 29 2HG GLU 3 2HG GLU 3 9.064 -1.284 -11.761 30 H ASP 4 H ASP 4 5.531 -3.263 -10.932 31 HA ASP 4 HA ASP 4 5.783 -0.369 -10.411 32 1HB ASP 4 1HB ASP 4 3.121 -0.364 -10.682 33 2HB ASP 4 2HB ASP 4 4.184 -0.028 -12.049 34 H LYS 5 H LYS 5 3.347 -2.926 -9.858 35 HA LYS 5 HA LYS 5 2.746 -3.991 -7.843 36 1HB LYS 5 1HB LYS 5 5.191 -3.538 -7.157 37 2HB LYS 5 2HB LYS 5 4.569 -2.110 -6.335 38 1HG LYS 5 1HG LYS 5 4.469 -3.707 -4.634 39 2HG LYS 5 2HG LYS 5 2.841 -3.805 -5.301 40 1HD LYS 5 1HD LYS 5 3.844 -6.056 -4.999 41 2HD LYS 5 2HD LYS 5 3.505 -5.715 -6.696 42 1HE LYS 5 1HE LYS 5 5.755 -5.455 -7.233 43 2HE LYS 5 2HE LYS 5 6.202 -5.014 -5.585 44 1HZ LYS 5 1HZ LYS 5 5.123 -7.694 -6.061 45 2HZ LYS 5 2HZ LYS 5 6.721 -7.380 -6.543 46 3HZ LYS 5 3HZ LYS 5 6.272 -7.175 -4.921 47 H ASP 6 H ASP 6 3.397 -0.516 -7.119 48 HA ASP 6 HA ASP 6 1.010 -0.174 -5.604 49 1HB ASP 6 1HB ASP 6 1.300 2.321 -6.611 50 2HB ASP 6 2HB ASP 6 2.252 1.713 -5.255 51 H ASP 7 H ASP 7 1.384 -0.716 -8.926 52 HA ASP 7 HA ASP 7 -0.528 0.727 -10.259 53 1HB ASP 7 1HB ASP 7 -1.043 -1.362 -11.551 54 2HB ASP 7 2HB ASP 7 0.685 -1.060 -11.368 55 H LEU 8 H LEU 8 -1.096 -1.713 -7.777 56 HA LEU 8 HA LEU 8 -3.918 -2.033 -8.182 57 1HB LEU 8 1HB LEU 8 -2.615 -3.565 -6.749 58 2HB LEU 8 2HB LEU 8 -2.313 -2.251 -5.613 59 HG LEU 8 HG LEU 8 -5.159 -2.640 -6.284 60 1HD1 LEU 8 1HD1 LEU 8 -3.468 -4.867 -5.287 61 2HD1 LEU 8 2HD1 LEU 8 -4.978 -4.593 -4.419 62 3HD1 LEU 8 3HD1 LEU 8 -5.004 -4.923 -6.151 63 1HD2 LEU 8 1HD2 LEU 8 -3.826 -1.281 -4.380 64 2HD2 LEU 8 2HD2 LEU 8 -5.474 -1.872 -4.150 65 3HD2 LEU 8 3HD2 LEU 8 -4.109 -2.789 -3.510 66 H ASP 9 H ASP 9 -5.667 -1.003 -7.068 67 HA ASP 9 HA ASP 9 -5.289 1.829 -6.609 68 1HB ASP 9 1HB ASP 9 -7.583 -0.087 -6.271 69 2HB ASP 9 2HB ASP 9 -7.707 1.564 -5.672 70 H VAL 10 H VAL 10 -3.672 1.792 -4.914 71 HA VAL 10 HA VAL 10 -3.997 0.445 -2.429 72 HB VAL 10 HB VAL 10 -1.913 1.530 -3.426 73 1HG1 VAL 10 1HG1 VAL 10 -3.141 3.756 -3.697 74 2HG1 VAL 10 2HG1 VAL 10 -2.855 3.970 -1.976 75 3HG1 VAL 10 3HG1 VAL 10 -1.497 3.809 -3.073 76 1HG2 VAL 10 1HG2 VAL 10 -2.756 1.218 -0.688 77 2HG2 VAL 10 2HG2 VAL 10 -1.207 0.833 -1.431 78 3HG2 VAL 10 3HG2 VAL 10 -1.513 2.459 -0.851 79 H THR 11 H THR 11 -5.765 3.017 -3.706 80 HA THR 11 HA THR 11 -6.400 4.056 -0.981 81 HB THR 11 HB THR 11 -5.986 5.974 -2.192 82 HG1 THR 11 HG1 THR 11 -8.249 5.826 -1.503 83 1HG2 THR 11 1HG2 THR 11 -7.102 4.500 -4.584 84 2HG2 THR 11 2HG2 THR 11 -6.729 6.221 -4.611 85 3HG2 THR 11 3HG2 THR 11 -5.445 5.050 -4.325 86 H GLU 12 H GLU 12 -8.121 3.074 -3.995 87 HA GLU 12 HA GLU 12 -10.692 3.044 -2.679 88 1HB GLU 12 1HB GLU 12 -11.560 2.274 -4.701 89 2HB GLU 12 2HB GLU 12 -10.094 3.083 -5.245 90 1HG GLU 12 1HG GLU 12 -9.545 1.136 -6.247 91 2HG GLU 12 2HG GLU 12 -9.241 0.495 -4.632 92 H LEU 13 H LEU 13 -8.060 0.830 -2.887 93 HA LEU 13 HA LEU 13 -8.994 -1.692 -2.545 94 1HB LEU 13 1HB LEU 13 -7.010 -2.203 -1.421 95 2HB LEU 13 2HB LEU 13 -6.604 -0.678 -2.202 96 HG LEU 13 HG LEU 13 -7.484 -1.083 0.639 97 1HD1 LEU 13 1HD1 LEU 13 -5.041 -1.515 -0.269 98 2HD1 LEU 13 2HD1 LEU 13 -4.949 0.247 -0.291 99 3HD1 LEU 13 3HD1 LEU 13 -5.254 -0.601 1.223 100 1HD2 LEU 13 1HD2 LEU 13 -8.413 1.021 -0.353 101 2HD2 LEU 13 2HD2 LEU 13 -7.267 1.311 0.949 102 3HD2 LEU 13 3HD2 LEU 13 -6.765 1.520 -0.722 103 H THR 14 H THR 14 -9.524 -3.050 -0.668 104 HA THR 14 HA THR 14 -11.471 -1.601 1.031 105 HB THR 14 HB THR 14 -12.053 -4.092 1.637 106 HG1 THR 14 HG1 THR 14 -11.493 -5.349 -0.316 107 1HG2 THR 14 1HG2 THR 14 -12.513 -2.750 -1.037 108 2HG2 THR 14 2HG2 THR 14 -13.350 -4.226 -0.551 109 3HG2 THR 14 3HG2 THR 14 -13.577 -2.740 0.373 110 H ASN 15 H ASN 15 -11.735 -2.478 3.327 111 HA ASN 15 HA ASN 15 -9.246 -2.093 4.751 112 1HB ASN 15 1HB ASN 15 -12.038 -2.776 5.657 113 2HB ASN 15 2HB ASN 15 -10.693 -2.532 6.773 114 2HD2 ASN 15 2HD2 ASN 15 -12.583 -0.703 7.213 115 1HD2 ASN 15 1HD2 ASN 15 -12.239 0.793 6.487 116 H GLU 16 H GLU 16 -11.526 -4.868 4.898 117 HA GLU 16 HA GLU 16 -9.650 -6.543 6.266 118 1HB GLU 16 1HB GLU 16 -12.045 -7.024 6.299 119 2HB GLU 16 2HB GLU 16 -12.040 -7.301 4.561 120 1HG GLU 16 1HG GLU 16 -10.523 -9.200 4.839 121 2HG GLU 16 2HG GLU 16 -10.423 -8.894 6.573 122 H ASP 17 H ASP 17 -9.953 -5.757 2.890 123 HA ASP 17 HA ASP 17 -8.270 -8.107 2.189 124 1HB ASP 17 1HB ASP 17 -10.238 -6.495 0.763 125 2HB ASP 17 2HB ASP 17 -8.752 -6.702 -0.163 126 H LEU 18 H LEU 18 -7.877 -4.742 2.837 127 HA LEU 18 HA LEU 18 -5.378 -4.748 1.217 128 1HB LEU 18 1HB LEU 18 -5.268 -2.465 1.387 129 2HB LEU 18 2HB LEU 18 -7.008 -2.717 1.344 130 HG LEU 18 HG LEU 18 -6.777 -2.772 3.945 131 1HD1 LEU 18 1HD1 LEU 18 -4.115 -2.306 3.161 132 2HD1 LEU 18 2HD1 LEU 18 -4.699 -0.795 3.860 133 3HD1 LEU 18 3HD1 LEU 18 -4.764 -2.288 4.801 134 1HD2 LEU 18 1HD2 LEU 18 -7.840 -0.973 2.430 135 2HD2 LEU 18 2HD2 LEU 18 -7.324 -0.465 4.032 136 3HD2 LEU 18 3HD2 LEU 18 -6.327 -0.096 2.632 137 H LEU 19 H LEU 19 -6.524 -5.345 4.349 138 HA LEU 19 HA LEU 19 -4.379 -4.510 5.948 139 1HB LEU 19 1HB LEU 19 -6.315 -6.794 6.042 140 2HB LEU 19 2HB LEU 19 -4.895 -6.915 7.070 141 HG LEU 19 HG LEU 19 -7.117 -4.898 7.142 142 1HD1 LEU 19 1HD1 LEU 19 -7.068 -7.031 8.533 143 2HD1 LEU 19 2HD1 LEU 19 -5.618 -6.400 9.330 144 3HD1 LEU 19 3HD1 LEU 19 -7.162 -5.549 9.488 145 1HD2 LEU 19 1HD2 LEU 19 -4.263 -4.568 8.125 146 2HD2 LEU 19 2HD2 LEU 19 -5.276 -3.403 7.242 147 3HD2 LEU 19 3HD2 LEU 19 -5.610 -3.762 8.935 148 H ASP 20 H ASP 20 -4.737 -7.721 4.309 149 HA ASP 20 HA ASP 20 -2.158 -8.656 4.917 150 1HB ASP 20 1HB ASP 20 -3.735 -10.059 3.672 151 2HB ASP 20 2HB ASP 20 -3.687 -8.950 2.302 152 H GLN 21 H GLN 21 -3.188 -6.206 2.681 153 HA GLN 21 HA GLN 21 -0.724 -5.888 1.267 154 1HB GLN 21 1HB GLN 21 -3.336 -4.781 1.268 155 2HB GLN 21 2HB GLN 21 -2.238 -3.424 1.412 156 1HG GLN 21 1HG GLN 21 -1.786 -5.610 -0.613 157 2HG GLN 21 2HG GLN 21 -2.851 -4.256 -0.952 158 2HE2 GLN 21 2HE2 GLN 21 -1.756 -2.628 -2.073 159 1HE2 GLN 21 1HE2 GLN 21 -0.125 -2.216 -1.840 160 H LEU 22 H LEU 22 -1.998 -4.295 4.193 161 HA LEU 22 HA LEU 22 0.509 -2.754 4.453 162 1HB LEU 22 1HB LEU 22 -2.197 -2.686 5.691 163 2HB LEU 22 2HB LEU 22 -0.860 -2.281 6.761 164 HG LEU 22 HG LEU 22 -0.252 -0.884 4.483 165 1HD1 LEU 22 1HD1 LEU 22 -2.527 -1.514 3.618 166 2HD1 LEU 22 2HD1 LEU 22 -3.229 -0.668 4.999 167 3HD1 LEU 22 3HD1 LEU 22 -2.307 0.226 3.783 168 1HD2 LEU 22 1HD2 LEU 22 -0.664 -0.340 7.128 169 2HD2 LEU 22 2HD2 LEU 22 -0.352 0.895 5.916 170 3HD2 LEU 22 3HD2 LEU 22 -2.005 0.528 6.395 171 H VAL 23 H VAL 23 -1.425 -4.940 6.429 172 HA VAL 23 HA VAL 23 0.351 -5.383 8.491 173 HB VAL 23 HB VAL 23 -1.190 -7.786 7.754 174 1HG1 VAL 23 1HG1 VAL 23 -2.510 -5.201 7.446 175 2HG1 VAL 23 2HG1 VAL 23 -3.087 -6.822 7.094 176 3HG1 VAL 23 3HG1 VAL 23 -3.233 -6.176 8.711 177 1HG2 VAL 23 1HG2 VAL 23 -0.399 -6.306 10.066 178 2HG2 VAL 23 2HG2 VAL 23 -2.166 -6.457 10.068 179 3HG2 VAL 23 3HG2 VAL 23 -1.146 -7.904 10.001 180 H LYS 24 H LYS 24 0.878 -6.385 5.197 181 HA LYS 24 HA LYS 24 2.673 -8.450 6.370 182 1HB LYS 24 1HB LYS 24 2.632 -9.703 4.364 183 2HB LYS 24 2HB LYS 24 0.973 -9.136 4.545 184 1HG LYS 24 1HG LYS 24 1.165 -8.283 2.474 185 2HG LYS 24 2HG LYS 24 2.221 -7.063 3.165 186 1HD LYS 24 1HD LYS 24 2.965 -9.681 1.809 187 2HD LYS 24 2HD LYS 24 3.407 -8.057 1.310 188 1HE LYS 24 1HE LYS 24 4.918 -7.824 3.220 189 2HE LYS 24 2HE LYS 24 4.396 -9.392 3.849 190 1HZ LYS 24 1HZ LYS 24 5.103 -10.055 1.381 191 2HZ LYS 24 2HZ LYS 24 6.186 -8.776 1.662 192 3HZ LYS 24 3HZ LYS 24 6.158 -10.115 2.707 193 H TYR 25 H TYR 25 2.758 -5.653 4.187 194 HA TYR 25 HA TYR 25 5.529 -6.029 3.521 195 1HB TYR 25 1HB TYR 25 3.679 -3.644 3.454 196 2HB TYR 25 2HB TYR 25 5.414 -3.425 3.225 197 HD1 TYR 25 HD1 TYR 25 2.392 -5.109 1.891 198 HD2 TYR 25 HD2 TYR 25 6.536 -4.177 1.248 199 HE1 TYR 25 HE1 TYR 25 2.209 -5.902 -0.459 200 HE2 TYR 25 HE2 TYR 25 6.354 -4.965 -1.097 201 HH TYR 25 HH TYR 25 3.666 -5.267 -2.728 202 H GLY 26 H GLY 26 4.079 -5.561 6.488 203 1HA GLY 26 1HA GLY 26 6.607 -4.430 7.567 204 2HA GLY 26 2HA GLY 26 5.489 -5.467 8.467 205 H VAL 27 H VAL 27 3.128 -4.129 7.354 206 HA VAL 27 HA VAL 27 3.419 -1.457 8.710 207 HB VAL 27 HB VAL 27 1.312 -2.122 6.640 208 1HG1 VAL 27 1HG1 VAL 27 2.454 0.445 7.781 209 2HG1 VAL 27 2HG1 VAL 27 1.270 0.365 6.479 210 3HG1 VAL 27 3HG1 VAL 27 0.849 -0.217 8.094 211 1HG2 VAL 27 1HG2 VAL 27 4.063 -1.964 6.154 212 2HG2 VAL 27 2HG2 VAL 27 2.779 -1.775 4.948 213 3HG2 VAL 27 3HG2 VAL 27 3.455 -0.359 5.760 214 H ASN 28 H ASN 28 2.291 -1.225 10.551 215 HA ASN 28 HA ASN 28 -0.069 -3.020 10.949 216 1HB ASN 28 1HB ASN 28 1.615 -3.626 12.543 217 2HB ASN 28 2HB ASN 28 1.942 -1.936 12.931 218 2HD2 ASN 28 2HD2 ASN 28 -1.336 -3.265 12.498 219 1HD2 ASN 28 1HD2 ASN 28 -1.812 -3.064 14.115 220 HA PRO 29 HA PRO 29 -1.665 1.259 10.923 221 1HB PRO 29 1HB PRO 29 -3.935 0.554 9.484 222 2HB PRO 29 2HB PRO 29 -2.431 1.135 8.764 223 1HG PRO 29 1HG PRO 29 -3.594 -1.588 8.812 224 2HG PRO 29 2HG PRO 29 -2.394 -0.874 7.713 225 1HD PRO 29 1HD PRO 29 -1.837 -2.651 9.860 226 2HD PRO 29 2HD PRO 29 -0.657 -1.759 8.899 227 H GLY 30 H GLY 30 -3.653 -1.723 11.322 228 1HA GLY 30 1HA GLY 30 -4.593 -0.621 13.902 229 2HA GLY 30 2HA GLY 30 -4.792 -2.283 13.363 230 HA PRO 31 HA PRO 31 -8.808 -0.171 12.639 231 1HB PRO 31 1HB PRO 31 -8.981 2.498 13.232 232 2HB PRO 31 2HB PRO 31 -9.097 1.219 14.441 233 1HG PRO 31 1HG PRO 31 -6.895 3.129 13.882 234 2HG PRO 31 2HG PRO 31 -7.252 2.241 15.371 235 1HD PRO 31 1HD PRO 31 -5.273 1.616 13.411 236 2HD PRO 31 2HD PRO 31 -5.730 0.602 14.788 237 H ILE 32 H ILE 32 -8.613 -0.435 10.352 238 HA ILE 32 HA ILE 32 -7.714 1.885 8.753 239 HB ILE 32 HB ILE 32 -8.924 -0.731 7.809 240 1HG1 ILE 32 1HG1 ILE 32 -6.498 -0.509 9.109 241 2HG1 ILE 32 2HG1 ILE 32 -6.886 -1.744 7.919 242 1HG2 ILE 32 1HG2 ILE 32 -7.770 1.695 6.521 243 2HG2 ILE 32 2HG2 ILE 32 -7.488 0.139 5.746 244 3HG2 ILE 32 3HG2 ILE 32 -9.134 0.700 6.023 245 1HD1 ILE 32 1HD1 ILE 32 -5.833 0.912 6.986 246 2HD1 ILE 32 2HD1 ILE 32 -4.714 -0.303 7.612 247 3HD1 ILE 32 3HD1 ILE 32 -5.723 -0.668 6.208 248 H VAL 33 H VAL 33 -9.730 2.771 10.185 249 HA VAL 33 HA VAL 33 -12.390 2.355 9.446 250 HB VAL 33 HB VAL 33 -12.536 4.975 9.819 251 1HG1 VAL 33 1HG1 VAL 33 -12.603 2.704 11.463 252 2HG1 VAL 33 2HG1 VAL 33 -11.561 3.844 12.314 253 3HG1 VAL 33 3HG1 VAL 33 -13.202 4.312 11.870 254 1HG2 VAL 33 1HG2 VAL 33 -9.833 4.822 9.601 255 2HG2 VAL 33 2HG2 VAL 33 -10.654 6.051 10.562 256 3HG2 VAL 33 3HG2 VAL 33 -10.013 4.607 11.342 257 H GLY 34 H GLY 34 -13.680 4.130 8.083 258 1HA GLY 34 1HA GLY 34 -14.176 4.796 5.884 259 2HA GLY 34 2HA GLY 34 -12.802 3.828 5.357 260 H THR 35 H THR 35 -11.794 5.932 7.745 261 HA THR 35 HA THR 35 -11.157 8.107 5.826 262 HB THR 35 HB THR 35 -10.296 8.962 8.302 263 HG1 THR 35 HG1 THR 35 -12.668 7.432 8.579 264 1HG2 THR 35 1HG2 THR 35 -12.991 9.266 6.953 265 2HG2 THR 35 2HG2 THR 35 -12.445 10.263 8.301 266 3HG2 THR 35 3HG2 THR 35 -11.585 10.315 6.762 267 H THR 36 H THR 36 -9.770 5.325 6.860 268 HA THR 36 HA THR 36 -7.063 6.523 7.083 269 HB THR 36 HB THR 36 -6.511 4.046 7.699 270 HG1 THR 36 HG1 THR 36 -8.572 3.265 7.083 271 1HG2 THR 36 1HG2 THR 36 -8.174 5.907 9.408 272 2HG2 THR 36 2HG2 THR 36 -7.212 4.561 10.038 273 3HG2 THR 36 3HG2 THR 36 -6.417 5.929 9.238 274 H ARG 37 H ARG 37 -8.630 3.790 5.321 275 HA ARG 37 HA ARG 37 -6.656 2.899 3.728 276 1HB ARG 37 1HB ARG 37 -9.272 3.822 2.541 277 2HB ARG 37 2HB ARG 37 -8.168 2.666 1.821 278 1HG ARG 37 1HG ARG 37 -9.493 1.132 2.846 279 2HG ARG 37 2HG ARG 37 -8.486 1.504 4.251 280 1HD ARG 37 1HD ARG 37 -11.352 1.963 3.938 281 2HD ARG 37 2HD ARG 37 -10.373 2.274 5.361 282 HE ARG 37 HE ARG 37 -9.965 4.554 4.513 283 1HH1 ARG 37 1HH1 ARG 37 -12.858 2.963 3.710 284 2HH1 ARG 37 2HH1 ARG 37 -13.381 4.156 2.570 285 1HH2 ARG 37 1HH2 ARG 37 -10.422 5.953 2.673 286 2HH2 ARG 37 2HH2 ARG 37 -12.008 5.845 1.986 287 H LYS 38 H LYS 38 -8.134 6.126 3.168 288 HA LYS 38 HA LYS 38 -6.575 6.804 0.885 289 1HB LYS 38 1HB LYS 38 -8.352 8.289 1.443 290 2HB LYS 38 2HB LYS 38 -7.799 8.448 3.110 291 1HG LYS 38 1HG LYS 38 -6.266 10.042 2.577 292 2HG LYS 38 2HG LYS 38 -5.809 9.236 1.077 293 1HD LYS 38 1HD LYS 38 -8.408 10.054 0.574 294 2HD LYS 38 2HD LYS 38 -7.752 11.388 1.522 295 1HE LYS 38 1HE LYS 38 -6.187 11.936 -0.079 296 2HE LYS 38 2HE LYS 38 -6.022 10.271 -0.637 297 1HZ LYS 38 1HZ LYS 38 -8.513 10.707 -1.343 298 2HZ LYS 38 2HZ LYS 38 -7.964 12.310 -1.409 299 3HZ LYS 38 3HZ LYS 38 -7.208 11.116 -2.352 300 H LEU 39 H LEU 39 -6.026 7.501 4.333 301 HA LEU 39 HA LEU 39 -3.439 8.598 4.174 302 1HB LEU 39 1HB LEU 39 -5.136 8.035 6.230 303 2HB LEU 39 2HB LEU 39 -4.009 6.699 6.403 304 HG LEU 39 HG LEU 39 -3.228 9.613 6.331 305 1HD1 LEU 39 1HD1 LEU 39 -4.419 8.893 8.408 306 2HD1 LEU 39 2HD1 LEU 39 -3.228 7.608 8.611 307 3HD1 LEU 39 3HD1 LEU 39 -2.728 9.297 8.711 308 1HD2 LEU 39 1HD2 LEU 39 -1.715 7.007 6.563 309 2HD2 LEU 39 2HD2 LEU 39 -1.417 8.334 5.440 310 3HD2 LEU 39 3HD2 LEU 39 -1.027 8.521 7.151 311 H TYR 40 H TYR 40 -4.202 5.209 4.980 312 HA TYR 40 HA TYR 40 -1.524 4.288 4.687 313 1HB TYR 40 1HB TYR 40 -4.203 2.888 4.676 314 2HB TYR 40 2HB TYR 40 -2.675 2.018 4.627 315 HD1 TYR 40 HD1 TYR 40 -0.859 3.048 6.370 316 HD2 TYR 40 HD2 TYR 40 -5.131 3.180 6.783 317 HE1 TYR 40 HE1 TYR 40 -0.614 3.306 8.823 318 HE2 TYR 40 HE2 TYR 40 -4.891 3.466 9.236 319 HH TYR 40 HH TYR 40 -1.752 3.978 10.723 320 H GLU 41 H GLU 41 -3.733 5.244 2.351 321 HA GLU 41 HA GLU 41 -3.216 3.426 0.197 322 1HB GLU 41 1HB GLU 41 -4.613 4.872 -0.923 323 2HB GLU 41 2HB GLU 41 -4.774 5.699 0.617 324 1HG GLU 41 1HG GLU 41 -2.779 7.097 0.051 325 2HG GLU 41 2HG GLU 41 -2.725 6.279 -1.507 326 H LYS 42 H LYS 42 -1.423 5.987 1.689 327 HA LYS 42 HA LYS 42 0.608 5.841 -0.488 328 1HB LYS 42 1HB LYS 42 -0.580 8.032 0.248 329 2HB LYS 42 2HB LYS 42 0.465 7.952 1.653 330 1HG LYS 42 1HG LYS 42 1.639 9.283 0.053 331 2HG LYS 42 2HG LYS 42 2.405 7.695 -0.022 332 1HD LYS 42 1HD LYS 42 0.342 7.387 -1.799 333 2HD LYS 42 2HD LYS 42 0.738 9.089 -2.029 334 1HE LYS 42 1HE LYS 42 2.449 8.430 -3.338 335 2HE LYS 42 2HE LYS 42 3.219 7.785 -1.889 336 1HZ LYS 42 1HZ LYS 42 1.448 5.855 -2.481 337 2HZ LYS 42 2HZ LYS 42 1.867 6.398 -4.035 338 3HZ LYS 42 3HZ LYS 42 3.072 5.855 -2.969 339 H LYS 43 H LYS 43 0.227 5.841 3.046 340 HA LYS 43 HA LYS 43 2.865 5.577 3.878 341 1HB LYS 43 1HB LYS 43 0.294 4.560 4.922 342 2HB LYS 43 2HB LYS 43 1.764 3.813 5.561 343 1HG LYS 43 1HG LYS 43 1.473 6.809 5.379 344 2HG LYS 43 2HG LYS 43 0.846 5.922 6.754 345 1HD LYS 43 1HD LYS 43 3.174 4.853 6.931 346 2HD LYS 43 2HD LYS 43 3.709 6.123 5.830 347 1HE LYS 43 1HE LYS 43 4.063 7.249 7.799 348 2HE LYS 43 2HE LYS 43 2.353 7.633 7.607 349 1HZ LYS 43 1HZ LYS 43 2.623 5.108 8.825 350 2HZ LYS 43 2HZ LYS 43 3.557 6.238 9.684 351 3HZ LYS 43 3HZ LYS 43 1.897 6.510 9.442 352 H LEU 44 H LEU 44 0.724 2.961 2.764 353 HA LEU 44 HA LEU 44 2.903 1.053 3.034 354 1HB LEU 44 1HB LEU 44 1.163 -0.264 3.455 355 2HB LEU 44 2HB LEU 44 0.057 1.032 3.020 356 HG LEU 44 HG LEU 44 0.636 0.320 0.579 357 1HD1 LEU 44 1HD1 LEU 44 -1.116 -1.287 2.431 358 2HD1 LEU 44 2HD1 LEU 44 -1.553 0.234 1.652 359 3HD1 LEU 44 3HD1 LEU 44 -1.287 -1.213 0.678 360 1HD2 LEU 44 1HD2 LEU 44 1.987 -1.662 2.207 361 2HD2 LEU 44 2HD2 LEU 44 0.702 -2.446 1.278 362 3HD2 LEU 44 3HD2 LEU 44 1.957 -1.532 0.443 363 H LEU 45 H LEU 45 1.746 3.185 0.630 364 HA LEU 45 HA LEU 45 2.385 1.593 -1.700 365 1HB LEU 45 1HB LEU 45 1.072 3.891 -1.443 366 2HB LEU 45 2HB LEU 45 2.663 4.571 -1.751 367 HG LEU 45 HG LEU 45 1.707 2.371 -3.535 368 1HD1 LEU 45 1HD1 LEU 45 3.918 3.944 -3.514 369 2HD1 LEU 45 2HD1 LEU 45 3.253 3.238 -4.983 370 3HD1 LEU 45 3HD1 LEU 45 2.866 4.900 -4.553 371 1HD2 LEU 45 1HD2 LEU 45 0.136 4.684 -3.041 372 2HD2 LEU 45 2HD2 LEU 45 0.900 4.906 -4.616 373 3HD2 LEU 45 3HD2 LEU 45 -0.089 3.478 -4.308 374 H LYS 46 H LYS 46 4.219 3.782 0.414 375 HA LYS 46 HA LYS 46 6.630 3.724 -1.222 376 1HB LYS 46 1HB LYS 46 6.145 4.411 1.689 377 2HB LYS 46 2HB LYS 46 7.724 4.540 0.915 378 1HG LYS 46 1HG LYS 46 7.148 6.567 0.126 379 2HG LYS 46 2HG LYS 46 5.842 5.821 -0.795 380 1HD LYS 46 1HD LYS 46 4.305 6.709 0.589 381 2HD LYS 46 2HD LYS 46 5.098 5.985 1.988 382 1HE LYS 46 1HE LYS 46 5.024 8.448 2.188 383 2HE LYS 46 2HE LYS 46 6.688 7.874 2.064 384 1HZ LYS 46 1HZ LYS 46 6.151 8.224 -0.491 385 2HZ LYS 46 2HZ LYS 46 5.094 9.389 0.151 386 3HZ LYS 46 3HZ LYS 46 6.758 9.469 0.487 387 H LEU 47 H LEU 47 5.047 1.422 0.572 388 HA LEU 47 HA LEU 47 7.508 -0.110 1.272 389 1HB LEU 47 1HB LEU 47 4.947 0.292 2.497 390 2HB LEU 47 2HB LEU 47 5.057 -1.388 2.010 391 HG LEU 47 HG LEU 47 6.982 -1.756 3.256 392 1HD1 LEU 47 1HD1 LEU 47 7.213 1.204 3.150 393 2HD1 LEU 47 2HD1 LEU 47 7.844 0.409 4.591 394 3HD1 LEU 47 3HD1 LEU 47 8.469 -0.022 3.000 395 1HD2 LEU 47 1HD2 LEU 47 4.910 -0.059 4.635 396 2HD2 LEU 47 2HD2 LEU 47 5.193 -1.797 4.768 397 3HD2 LEU 47 3HD2 LEU 47 6.295 -0.666 5.550 398 H ARG 48 H ARG 48 4.718 0.033 -0.663 399 HA ARG 48 HA ARG 48 5.226 -2.622 -1.896 400 1HB ARG 48 1HB ARG 48 3.040 -2.801 -1.240 401 2HB ARG 48 2HB ARG 48 2.820 -1.065 -1.148 402 1HG ARG 48 1HG ARG 48 2.992 -2.441 -3.814 403 2HG ARG 48 2HG ARG 48 1.480 -2.389 -2.915 404 1HD ARG 48 1HD ARG 48 2.737 0.220 -2.903 405 2HD ARG 48 2HD ARG 48 2.521 -0.341 -4.556 406 HE ARG 48 HE ARG 48 0.433 0.738 -3.104 407 1HH1 ARG 48 1HH1 ARG 48 1.129 -2.034 -4.992 408 2HH1 ARG 48 2HH1 ARG 48 -0.488 -2.650 -4.962 409 1HH2 ARG 48 1HH2 ARG 48 -1.676 -0.212 -2.817 410 2HH2 ARG 48 2HH2 ARG 48 -2.068 -1.622 -3.737 411 H GLU 49 H GLU 49 6.542 0.036 -2.455 412 HA GLU 49 HA GLU 49 5.637 0.615 -5.204 413 1HB GLU 49 1HB GLU 49 7.364 1.973 -3.195 414 2HB GLU 49 2HB GLU 49 7.802 2.201 -4.887 415 1HG GLU 49 1HG GLU 49 4.924 2.497 -4.123 416 2HG GLU 49 2HG GLU 49 6.036 3.799 -3.704 417 H GLN 50 H GLN 50 6.264 -1.643 -5.716 418 HA GLN 50 HA GLN 50 8.671 -2.907 -5.707 419 1HB GLN 50 1HB GLN 50 6.986 -3.960 -6.966 420 2HB GLN 50 2HB GLN 50 6.707 -2.534 -7.962 421 1HG GLN 50 1HG GLN 50 7.914 -4.248 -9.248 422 2HG GLN 50 2HG GLN 50 8.945 -2.842 -8.995 423 2HE2 GLN 50 2HE2 GLN 50 8.418 -4.828 -6.180 424 1HE2 GLN 50 1HE2 GLN 50 9.925 -5.604 -6.195 425 H GLY 51 H GLY 51 10.662 -2.794 -6.828 426 1HA GLY 51 1HA GLY 51 11.169 -0.694 -8.786 427 2HA GLY 51 2HA GLY 51 12.368 -1.809 -8.130 428 H THR 52 H THR 52 10.741 1.260 -7.659 429 HA THR 52 HA THR 52 11.543 3.171 -6.524 430 HB THR 52 HB THR 52 11.688 1.052 -4.356 431 HG1 THR 52 HG1 THR 52 9.662 2.931 -4.491 432 1HG2 THR 52 1HG2 THR 52 12.235 3.946 -4.376 433 2HG2 THR 52 2HG2 THR 52 11.083 3.439 -3.141 434 3HG2 THR 52 3HG2 THR 52 12.694 2.722 -3.193 435 H GLU 53 H GLU 53 13.600 1.437 -7.882 436 HA GLU 53 HA GLU 53 15.942 2.662 -6.591 437 1HB GLU 53 1HB GLU 53 15.900 0.550 -5.417 438 2HB GLU 53 2HB GLU 53 15.586 -0.333 -6.911 439 1HG GLU 53 1HG GLU 53 17.911 1.181 -7.384 440 2HG GLU 53 2HG GLU 53 18.118 0.478 -5.780 441 H SER 54 H SER 54 15.788 -0.078 -8.849 442 HA SER 54 HA SER 54 16.446 -0.232 -11.097 443 1HB SER 54 1HB SER 54 14.823 2.040 -10.902 444 2HB SER 54 2HB SER 54 16.251 2.591 -11.778 445 HG SER 54 HG SER 54 15.825 0.378 -12.891 446 H ARG 55 H ARG 55 18.571 -0.172 -9.453 447 HA ARG 55 HA ARG 55 20.542 1.377 -11.016 448 1HB ARG 55 1HB ARG 55 19.615 2.454 -8.654 449 2HB ARG 55 2HB ARG 55 21.045 1.570 -8.124 450 1HG ARG 55 1HG ARG 55 21.811 3.754 -8.739 451 2HG ARG 55 2HG ARG 55 22.287 2.683 -10.058 452 1HD ARG 55 1HD ARG 55 21.258 4.806 -10.876 453 2HD ARG 55 2HD ARG 55 20.347 3.374 -11.373 454 HE ARG 55 HE ARG 55 19.234 4.279 -8.893 455 1HH1 ARG 55 1HH1 ARG 55 17.943 6.224 -8.828 456 2HH1 ARG 55 2HH1 ARG 55 17.252 6.773 -10.318 457 1HH2 ARG 55 1HH2 ARG 55 19.082 4.578 -12.282 458 2HH2 ARG 55 2HH2 ARG 55 17.897 5.840 -12.274 459 H SER 56 H SER 56 22.767 0.608 -10.586 460 HA SER 56 HA SER 56 24.245 -1.218 -10.463 461 1HB SER 56 1HB SER 56 22.774 -1.176 -7.844 462 2HB SER 56 2HB SER 56 23.919 -2.476 -8.175 463 HG SER 56 HG SER 56 25.541 -1.081 -8.211 464 H SER 57 H SER 57 21.894 -2.998 -8.572 465 HA SER 57 HA SER 57 20.640 -4.396 -10.748 466 1HB SER 57 1HB SER 57 21.835 -6.476 -10.735 467 2HB SER 57 2HB SER 57 23.049 -5.210 -10.922 468 HG SER 57 HG SER 57 23.836 -6.413 -9.312 No H/Q in entry = 468 Start of MODEL 8 1 H1 ARG 1 H1 ARG 1 2.958 -0.785 -20.639 2 H2 ARG 1 H2 ARG 1 1.559 0.172 -20.748 3 H3 ARG 1 H3 ARG 1 3.085 0.875 -20.978 4 HA ARG 1 HA ARG 1 3.663 0.689 -18.730 5 1HB ARG 1 1HB ARG 1 0.879 1.261 -18.063 6 2HB ARG 1 2HB ARG 1 2.279 2.329 -18.014 7 1HG ARG 1 1HG ARG 1 2.032 2.381 -20.613 8 2HG ARG 1 2HG ARG 1 0.400 1.783 -20.306 9 1HD ARG 1 1HD ARG 1 0.194 4.167 -20.352 10 2HD ARG 1 2HD ARG 1 0.170 3.731 -18.639 11 HE ARG 1 HE ARG 1 2.891 4.232 -19.365 12 1HH1 ARG 1 1HH1 ARG 1 0.299 5.566 -17.760 13 2HH1 ARG 1 2HH1 ARG 1 0.783 7.218 -17.951 14 1HH2 ARG 1 1HH2 ARG 1 3.333 6.488 -20.186 15 2HH2 ARG 1 2HH2 ARG 1 2.501 7.740 -19.325 16 H GLN 2 H GLN 2 4.084 -1.326 -17.848 17 HA GLN 2 HA GLN 2 1.801 -2.639 -16.485 18 1HB GLN 2 1HB GLN 2 3.750 -4.400 -17.941 19 2HB GLN 2 2HB GLN 2 2.088 -4.737 -17.461 20 1HG GLN 2 1HG GLN 2 1.862 -4.423 -19.768 21 2HG GLN 2 2HG GLN 2 1.503 -2.811 -19.150 22 2HE2 GLN 2 2HE2 GLN 2 2.562 -3.275 -21.809 23 1HE2 GLN 2 1HE2 GLN 2 4.113 -2.588 -21.875 24 H GLU 3 H GLU 3 3.318 -4.916 -15.661 25 HA GLU 3 HA GLU 3 4.568 -5.401 -13.714 26 1HB GLU 3 1HB GLU 3 7.037 -4.556 -14.108 27 2HB GLU 3 2HB GLU 3 6.349 -5.777 -15.180 28 1HG GLU 3 1HG GLU 3 5.711 -3.979 -16.779 29 2HG GLU 3 2HG GLU 3 6.466 -2.791 -15.714 30 H ASP 4 H ASP 4 3.594 -4.168 -12.070 31 HA ASP 4 HA ASP 4 5.211 -1.902 -11.119 32 1HB ASP 4 1HB ASP 4 2.273 -1.360 -11.205 33 2HB ASP 4 2HB ASP 4 3.626 -0.230 -11.276 34 H LYS 5 H LYS 5 4.167 -1.132 -8.922 35 HA LYS 5 HA LYS 5 3.075 -3.553 -7.555 36 1HB LYS 5 1HB LYS 5 5.516 -2.686 -7.037 37 2HB LYS 5 2HB LYS 5 4.669 -1.477 -6.079 38 1HG LYS 5 1HG LYS 5 5.040 -3.211 -4.532 39 2HG LYS 5 2HG LYS 5 3.385 -3.511 -5.062 40 1HD LYS 5 1HD LYS 5 4.800 -5.578 -5.042 41 2HD LYS 5 2HD LYS 5 4.155 -5.204 -6.640 42 1HE LYS 5 1HE LYS 5 6.220 -4.578 -7.476 43 2HE LYS 5 2HE LYS 5 6.819 -4.063 -5.899 44 1HZ LYS 5 1HZ LYS 5 6.318 -6.750 -5.644 45 2HZ LYS 5 2HZ LYS 5 7.048 -6.597 -7.170 46 3HZ LYS 5 3HZ LYS 5 7.841 -6.013 -5.790 47 H ASP 6 H ASP 6 3.393 -0.001 -6.979 48 HA ASP 6 HA ASP 6 1.095 0.233 -5.331 49 1HB ASP 6 1HB ASP 6 0.994 2.617 -6.573 50 2HB ASP 6 2HB ASP 6 2.191 2.257 -5.330 51 H ASP 7 H ASP 7 1.320 -0.501 -8.661 52 HA ASP 7 HA ASP 7 -0.796 0.495 -10.010 53 1HB ASP 7 1HB ASP 7 0.519 -2.105 -9.960 54 2HB ASP 7 2HB ASP 7 -1.174 -2.233 -10.443 55 H LEU 8 H LEU 8 -1.277 -2.312 -7.779 56 HA LEU 8 HA LEU 8 -4.060 -2.451 -7.943 57 1HB LEU 8 1HB LEU 8 -2.804 -4.027 -6.546 58 2HB LEU 8 2HB LEU 8 -2.390 -2.736 -5.421 59 HG LEU 8 HG LEU 8 -5.279 -3.137 -6.031 60 1HD1 LEU 8 1HD1 LEU 8 -3.620 -5.289 -5.162 61 2HD1 LEU 8 2HD1 LEU 8 -4.603 -4.776 -3.791 62 3HD1 LEU 8 3HD1 LEU 8 -5.378 -5.261 -5.300 63 1HD2 LEU 8 1HD2 LEU 8 -3.624 -2.354 -3.636 64 2HD2 LEU 8 2HD2 LEU 8 -4.790 -1.374 -4.525 65 3HD2 LEU 8 3HD2 LEU 8 -5.349 -2.704 -3.509 66 H ASP 9 H ASP 9 -5.668 -1.026 -7.502 67 HA ASP 9 HA ASP 9 -5.262 1.654 -6.797 68 1HB ASP 9 1HB ASP 9 -7.608 -0.192 -6.627 69 2HB ASP 9 2HB ASP 9 -7.731 1.399 -5.885 70 H VAL 10 H VAL 10 -3.783 1.724 -5.049 71 HA VAL 10 HA VAL 10 -4.214 0.408 -2.542 72 HB VAL 10 HB VAL 10 -2.801 2.677 -1.832 73 1HG1 VAL 10 1HG1 VAL 10 -2.890 3.209 -4.382 74 2HG1 VAL 10 2HG1 VAL 10 -1.363 3.360 -3.536 75 3HG1 VAL 10 3HG1 VAL 10 -1.677 1.931 -4.515 76 1HG2 VAL 10 1HG2 VAL 10 -2.423 -0.015 -1.840 77 2HG2 VAL 10 2HG2 VAL 10 -1.210 0.488 -3.018 78 3HG2 VAL 10 3HG2 VAL 10 -1.175 1.148 -1.380 79 H THR 11 H THR 11 -6.005 2.893 -3.932 80 HA THR 11 HA THR 11 -6.730 3.972 -1.248 81 HB THR 11 HB THR 11 -6.333 5.880 -2.457 82 HG1 THR 11 HG1 THR 11 -8.423 6.167 -1.934 83 1HG2 THR 11 1HG2 THR 11 -7.234 4.315 -4.877 84 2HG2 THR 11 2HG2 THR 11 -6.950 6.053 -4.926 85 3HG2 THR 11 3HG2 THR 11 -5.626 4.959 -4.530 86 H GLU 12 H GLU 12 -8.362 2.931 -4.299 87 HA GLU 12 HA GLU 12 -10.957 2.894 -3.062 88 1HB GLU 12 1HB GLU 12 -11.730 2.114 -5.097 89 2HB GLU 12 2HB GLU 12 -10.184 2.776 -5.621 90 1HG GLU 12 1HG GLU 12 -9.316 0.347 -4.982 91 2HG GLU 12 2HG GLU 12 -10.999 -0.074 -5.256 92 H LEU 13 H LEU 13 -8.296 0.670 -3.207 93 HA LEU 13 HA LEU 13 -9.197 -1.829 -2.732 94 1HB LEU 13 1HB LEU 13 -7.207 -2.274 -1.602 95 2HB LEU 13 2HB LEU 13 -6.813 -0.742 -2.373 96 HG LEU 13 HG LEU 13 -7.848 -1.067 0.442 97 1HD1 LEU 13 1HD1 LEU 13 -5.477 -1.876 -0.042 98 2HD1 LEU 13 2HD1 LEU 13 -5.092 -0.222 -0.521 99 3HD1 LEU 13 3HD1 LEU 13 -5.577 -0.567 1.139 100 1HD2 LEU 13 1HD2 LEU 13 -6.970 1.345 -1.158 101 2HD2 LEU 13 2HD2 LEU 13 -8.528 1.084 -0.388 102 3HD2 LEU 13 3HD2 LEU 13 -7.095 1.360 0.595 103 H THR 14 H THR 14 -10.018 -3.073 -0.983 104 HA THR 14 HA THR 14 -11.923 -1.551 0.623 105 HB THR 14 HB THR 14 -12.854 -3.662 1.248 106 HG1 THR 14 HG1 THR 14 -11.669 -5.384 1.458 107 1HG2 THR 14 1HG2 THR 14 -12.001 -3.213 -1.525 108 2HG2 THR 14 2HG2 THR 14 -12.379 -4.899 -1.169 109 3HG2 THR 14 3HG2 THR 14 -13.590 -3.647 -0.892 110 H ASN 15 H ASN 15 -12.148 -2.470 3.041 111 HA ASN 15 HA ASN 15 -9.662 -1.667 4.361 112 1HB ASN 15 1HB ASN 15 -12.297 -2.527 5.574 113 2HB ASN 15 2HB ASN 15 -10.969 -1.733 6.422 114 2HD2 ASN 15 2HD2 ASN 15 -12.119 0.236 6.898 115 1HD2 ASN 15 1HD2 ASN 15 -12.624 1.312 5.686 116 H GLU 16 H GLU 16 -11.684 -4.619 4.283 117 HA GLU 16 HA GLU 16 -9.835 -6.079 5.995 118 1HB GLU 16 1HB GLU 16 -12.326 -6.568 5.693 119 2HB GLU 16 2HB GLU 16 -11.899 -7.284 4.140 120 1HG GLU 16 1HG GLU 16 -10.325 -8.810 5.293 121 2HG GLU 16 2HG GLU 16 -10.803 -8.118 6.843 122 H ASP 17 H ASP 17 -10.146 -5.517 2.572 123 HA ASP 17 HA ASP 17 -8.394 -7.760 1.870 124 1HB ASP 17 1HB ASP 17 -9.371 -5.482 0.126 125 2HB ASP 17 2HB ASP 17 -8.627 -6.981 -0.428 126 H LEU 18 H LEU 18 -7.906 -4.439 2.796 127 HA LEU 18 HA LEU 18 -5.234 -4.493 1.502 128 1HB LEU 18 1HB LEU 18 -5.034 -2.207 1.862 129 2HB LEU 18 2HB LEU 18 -6.735 -2.426 1.452 130 HG LEU 18 HG LEU 18 -7.089 -2.602 4.015 131 1HD1 LEU 18 1HD1 LEU 18 -4.281 -2.104 3.861 132 2HD1 LEU 18 2HD1 LEU 18 -5.050 -0.697 4.592 133 3HD1 LEU 18 3HD1 LEU 18 -5.273 -2.295 5.306 134 1HD2 LEU 18 1HD2 LEU 18 -7.854 -0.749 2.516 135 2HD2 LEU 18 2HD2 LEU 18 -7.400 -0.182 4.124 136 3HD2 LEU 18 3HD2 LEU 18 -6.299 0.043 2.767 137 H LEU 19 H LEU 19 -6.673 -5.222 4.466 138 HA LEU 19 HA LEU 19 -4.546 -4.465 6.229 139 1HB LEU 19 1HB LEU 19 -6.675 -6.611 6.331 140 2HB LEU 19 2HB LEU 19 -5.406 -6.572 7.547 141 HG LEU 19 HG LEU 19 -7.628 -4.623 7.061 142 1HD1 LEU 19 1HD1 LEU 19 -6.305 -5.980 9.429 143 2HD1 LEU 19 2HD1 LEU 19 -7.543 -4.731 9.614 144 3HD1 LEU 19 3HD1 LEU 19 -7.938 -6.251 8.808 145 1HD2 LEU 19 1HD2 LEU 19 -4.860 -3.973 8.035 146 2HD2 LEU 19 2HD2 LEU 19 -5.965 -2.991 7.064 147 3HD2 LEU 19 3HD2 LEU 19 -6.238 -3.189 8.796 148 H ASP 20 H ASP 20 -5.046 -7.106 3.985 149 HA ASP 20 HA ASP 20 -2.773 -8.674 4.954 150 1HB ASP 20 1HB ASP 20 -4.945 -9.217 3.326 151 2HB ASP 20 2HB ASP 20 -3.617 -9.109 2.169 152 H GLN 21 H GLN 21 -3.200 -5.874 3.164 153 HA GLN 21 HA GLN 21 -0.779 -6.099 1.520 154 1HB GLN 21 1HB GLN 21 -3.265 -4.731 1.437 155 2HB GLN 21 2HB GLN 21 -2.049 -3.480 1.581 156 1HG GLN 21 1HG GLN 21 -1.747 -5.710 -0.410 157 2HG GLN 21 2HG GLN 21 -2.755 -4.323 -0.764 158 2HE2 GLN 21 2HE2 GLN 21 -1.509 -2.959 -2.130 159 1HE2 GLN 21 1HE2 GLN 21 0.103 -2.525 -1.819 160 H LEU 22 H LEU 22 -1.940 -4.453 4.412 161 HA LEU 22 HA LEU 22 0.594 -2.937 4.604 162 1HB LEU 22 1HB LEU 22 -2.086 -2.814 5.909 163 2HB LEU 22 2HB LEU 22 -0.706 -2.329 6.887 164 HG LEU 22 HG LEU 22 -0.197 -1.076 4.499 165 1HD1 LEU 22 1HD1 LEU 22 -2.472 -1.731 3.698 166 2HD1 LEU 22 2HD1 LEU 22 -3.164 -0.875 5.077 167 3HD1 LEU 22 3HD1 LEU 22 -2.290 0.018 3.831 168 1HD2 LEU 22 1HD2 LEU 22 -0.505 -0.345 7.102 169 2HD2 LEU 22 2HD2 LEU 22 -0.257 0.797 5.792 170 3HD2 LEU 22 3HD2 LEU 22 -1.887 0.459 6.371 171 H VAL 23 H VAL 23 -1.171 -5.554 6.156 172 HA VAL 23 HA VAL 23 0.686 -5.779 8.361 173 HB VAL 23 HB VAL 23 -1.384 -7.741 7.326 174 1HG1 VAL 23 1HG1 VAL 23 0.574 -7.812 9.544 175 2HG1 VAL 23 2HG1 VAL 23 -1.073 -8.259 9.985 176 3HG1 VAL 23 3HG1 VAL 23 -0.231 -9.141 8.710 177 1HG2 VAL 23 1HG2 VAL 23 -1.986 -5.333 8.266 178 2HG2 VAL 23 2HG2 VAL 23 -2.933 -6.741 8.750 179 3HG2 VAL 23 3HG2 VAL 23 -1.680 -6.105 9.820 180 H LYS 24 H LYS 24 1.406 -6.336 5.226 181 HA LYS 24 HA LYS 24 3.072 -8.656 6.075 182 1HB LYS 24 1HB LYS 24 3.109 -9.286 3.580 183 2HB LYS 24 2HB LYS 24 1.600 -9.584 4.450 184 1HG LYS 24 1HG LYS 24 0.701 -7.489 3.665 185 2HG LYS 24 2HG LYS 24 2.203 -7.079 2.898 186 1HD LYS 24 1HD LYS 24 0.729 -9.590 2.151 187 2HD LYS 24 2HD LYS 24 0.418 -8.051 1.347 188 1HE LYS 24 1HE LYS 24 2.835 -7.882 0.774 189 2HE LYS 24 2HE LYS 24 3.108 -9.448 1.541 190 1HZ LYS 24 1HZ LYS 24 0.962 -9.645 -0.274 191 2HZ LYS 24 2HZ LYS 24 2.293 -8.956 -1.067 192 3HZ LYS 24 3HZ LYS 24 2.451 -10.461 -0.296 193 H TYR 25 H TYR 25 3.021 -5.986 3.686 194 HA TYR 25 HA TYR 25 5.743 -6.025 3.017 195 1HB TYR 25 1HB TYR 25 3.726 -3.829 3.380 196 2HB TYR 25 2HB TYR 25 5.424 -3.398 3.189 197 HD1 TYR 25 HD1 TYR 25 2.433 -4.595 1.534 198 HD2 TYR 25 HD2 TYR 25 6.687 -4.183 1.178 199 HE1 TYR 25 HE1 TYR 25 2.261 -5.013 -0.910 200 HE2 TYR 25 HE2 TYR 25 6.526 -4.588 -1.269 201 HH TYR 25 HH TYR 25 4.083 -5.978 -2.741 202 H GLY 26 H GLY 26 4.156 -5.464 6.021 203 1HA GLY 26 1HA GLY 26 6.750 -4.757 7.282 204 2HA GLY 26 2HA GLY 26 5.506 -5.784 8.029 205 H VAL 27 H VAL 27 3.293 -4.236 7.081 206 HA VAL 27 HA VAL 27 3.713 -1.667 8.596 207 HB VAL 27 HB VAL 27 1.690 -2.178 6.390 208 1HG1 VAL 27 1HG1 VAL 27 1.038 -0.473 8.058 209 2HG1 VAL 27 2HG1 VAL 27 2.563 0.372 7.771 210 3HG1 VAL 27 3HG1 VAL 27 1.371 0.248 6.475 211 1HG2 VAL 27 1HG2 VAL 27 4.437 -1.851 6.100 212 2HG2 VAL 27 2HG2 VAL 27 3.221 -1.520 4.855 213 3HG2 VAL 27 3HG2 VAL 27 3.802 -0.217 5.896 214 H ASN 28 H ASN 28 2.270 -1.152 10.227 215 HA ASN 28 HA ASN 28 -0.070 -2.972 10.573 216 1HB ASN 28 1HB ASN 28 1.622 -3.810 12.083 217 2HB ASN 28 2HB ASN 28 1.945 -2.184 12.692 218 2HD2 ASN 28 2HD2 ASN 28 1.231 -3.979 14.655 219 1HD2 ASN 28 1HD2 ASN 28 -0.383 -3.763 15.145 220 HA PRO 29 HA PRO 29 -1.487 1.322 10.907 221 1HB PRO 29 1HB PRO 29 -3.871 0.774 9.590 222 2HB PRO 29 2HB PRO 29 -2.382 1.286 8.796 223 1HG PRO 29 1HG PRO 29 -3.690 -1.363 8.843 224 2HG PRO 29 2HG PRO 29 -2.497 -0.688 7.703 225 1HD PRO 29 1HD PRO 29 -1.971 -2.540 9.818 226 2HD PRO 29 2HD PRO 29 -0.784 -1.755 8.780 227 H GLY 30 H GLY 30 -3.692 -1.524 11.318 228 1HA GLY 30 1HA GLY 30 -4.410 -0.399 13.970 229 2HA GLY 30 2HA GLY 30 -4.684 -2.060 13.463 230 HA PRO 31 HA PRO 31 -8.647 0.243 12.890 231 1HB PRO 31 1HB PRO 31 -8.634 2.951 13.299 232 2HB PRO 31 2HB PRO 31 -8.736 1.768 14.602 233 1HG PRO 31 1HG PRO 31 -6.479 3.506 13.769 234 2HG PRO 31 2HG PRO 31 -6.777 2.736 15.336 235 1HD PRO 31 1HD PRO 31 -4.979 1.875 13.287 236 2HD PRO 31 2HD PRO 31 -5.380 0.987 14.767 237 H ILE 32 H ILE 32 -8.647 -0.173 10.618 238 HA ILE 32 HA ILE 32 -7.761 2.027 8.835 239 HB ILE 32 HB ILE 32 -8.934 -0.670 8.116 240 1HG1 ILE 32 1HG1 ILE 32 -6.490 -0.312 9.308 241 2HG1 ILE 32 2HG1 ILE 32 -6.862 -1.598 8.173 242 1HG2 ILE 32 1HG2 ILE 32 -7.939 1.700 6.620 243 2HG2 ILE 32 2HG2 ILE 32 -7.599 0.106 5.945 244 3HG2 ILE 32 3HG2 ILE 32 -9.264 0.603 6.242 245 1HD1 ILE 32 1HD1 ILE 32 -5.932 1.048 7.113 246 2HD1 ILE 32 2HD1 ILE 32 -4.752 -0.094 7.762 247 3HD1 ILE 32 3HD1 ILE 32 -5.778 -0.561 6.400 248 H VAL 33 H VAL 33 -9.836 2.869 10.330 249 HA VAL 33 HA VAL 33 -12.470 2.373 9.561 250 HB VAL 33 HB VAL 33 -12.694 4.998 9.884 251 1HG1 VAL 33 1HG1 VAL 33 -12.740 2.754 11.562 252 2HG1 VAL 33 2HG1 VAL 33 -11.733 3.926 12.413 253 3HG1 VAL 33 3HG1 VAL 33 -13.376 4.355 11.938 254 1HG2 VAL 33 1HG2 VAL 33 -9.982 4.906 9.721 255 2HG2 VAL 33 2HG2 VAL 33 -10.854 6.135 10.636 256 3HG2 VAL 33 3HG2 VAL 33 -10.195 4.726 11.464 257 H GLY 34 H GLY 34 -13.791 4.085 8.143 258 1HA GLY 34 1HA GLY 34 -14.268 4.711 5.928 259 2HA GLY 34 2HA GLY 34 -12.880 3.743 5.439 260 H THR 35 H THR 35 -11.879 5.921 7.760 261 HA THR 35 HA THR 35 -11.298 8.051 5.776 262 HB THR 35 HB THR 35 -10.397 8.841 8.328 263 HG1 THR 35 HG1 THR 35 -11.615 7.706 9.593 264 1HG2 THR 35 1HG2 THR 35 -12.905 9.475 6.754 265 2HG2 THR 35 2HG2 THR 35 -12.361 10.394 8.157 266 3HG2 THR 35 3HG2 THR 35 -11.371 10.344 6.697 267 H THR 36 H THR 36 -9.821 5.315 6.849 268 HA THR 36 HA THR 36 -7.143 6.608 6.934 269 HB THR 36 HB THR 36 -6.487 4.209 7.716 270 HG1 THR 36 HG1 THR 36 -8.619 3.673 8.977 271 1HG2 THR 36 1HG2 THR 36 -8.140 6.161 9.328 272 2HG2 THR 36 2HG2 THR 36 -7.164 4.867 10.039 273 3HG2 THR 36 3HG2 THR 36 -6.384 6.171 9.130 274 H ARG 37 H ARG 37 -8.706 3.728 5.412 275 HA ARG 37 HA ARG 37 -6.778 2.709 3.849 276 1HB ARG 37 1HB ARG 37 -9.377 3.631 2.618 277 2HB ARG 37 2HB ARG 37 -8.293 2.432 1.940 278 1HG ARG 37 1HG ARG 37 -9.655 0.966 3.009 279 2HG ARG 37 2HG ARG 37 -8.628 1.352 4.395 280 1HD ARG 37 1HD ARG 37 -11.483 1.855 4.114 281 2HD ARG 37 2HD ARG 37 -10.472 2.216 5.504 282 HE ARG 37 HE ARG 37 -10.054 4.449 4.559 283 1HH1 ARG 37 1HH1 ARG 37 -10.514 5.799 2.693 284 2HH1 ARG 37 2HH1 ARG 37 -12.102 5.678 2.011 285 1HH2 ARG 37 1HH2 ARG 37 -12.967 2.851 3.813 286 2HH2 ARG 37 2HH2 ARG 37 -13.482 4.015 2.642 287 H LYS 38 H LYS 38 -8.226 5.898 3.068 288 HA LYS 38 HA LYS 38 -6.639 6.424 0.765 289 1HB LYS 38 1HB LYS 38 -8.013 8.137 2.817 290 2HB LYS 38 2HB LYS 38 -6.928 8.893 1.650 291 1HG LYS 38 1HG LYS 38 -8.312 7.408 -0.071 292 2HG LYS 38 2HG LYS 38 -9.539 7.499 1.193 293 1HD LYS 38 1HD LYS 38 -9.495 9.922 1.142 294 2HD LYS 38 2HD LYS 38 -8.121 9.917 0.037 295 1HE LYS 38 1HE LYS 38 -10.280 8.302 -1.022 296 2HE LYS 38 2HE LYS 38 -10.850 9.930 -0.658 297 1HZ LYS 38 1HZ LYS 38 -8.919 10.790 -1.896 298 2HZ LYS 38 2HZ LYS 38 -8.511 9.201 -2.334 299 3HZ LYS 38 3HZ LYS 38 -9.972 9.883 -2.868 300 H LEU 39 H LEU 39 -6.133 7.424 4.150 301 HA LEU 39 HA LEU 39 -3.563 8.529 3.935 302 1HB LEU 39 1HB LEU 39 -5.248 8.141 6.013 303 2HB LEU 39 2HB LEU 39 -4.160 6.789 6.293 304 HG LEU 39 HG LEU 39 -3.337 9.683 6.060 305 1HD1 LEU 39 1HD1 LEU 39 -4.454 9.093 8.193 306 2HD1 LEU 39 2HD1 LEU 39 -3.334 7.745 8.397 307 3HD1 LEU 39 3HD1 LEU 39 -2.735 9.403 8.441 308 1HD2 LEU 39 1HD2 LEU 39 -1.837 7.076 6.259 309 2HD2 LEU 39 2HD2 LEU 39 -1.517 8.444 5.192 310 3HD2 LEU 39 3HD2 LEU 39 -1.129 8.555 6.911 311 H TYR 40 H TYR 40 -4.246 5.193 5.008 312 HA TYR 40 HA TYR 40 -1.533 4.342 4.794 313 1HB TYR 40 1HB TYR 40 -4.175 2.875 4.875 314 2HB TYR 40 2HB TYR 40 -2.636 2.024 4.827 315 HD1 TYR 40 HD1 TYR 40 -5.071 3.291 6.962 316 HD2 TYR 40 HD2 TYR 40 -0.805 3.070 6.531 317 HE1 TYR 40 HE1 TYR 40 -4.810 3.676 9.396 318 HE2 TYR 40 HE2 TYR 40 -0.540 3.423 8.967 319 HH TYR 40 HH TYR 40 -1.569 3.766 10.900 320 H GLU 41 H GLU 41 -3.830 5.011 2.404 321 HA GLU 41 HA GLU 41 -3.202 3.099 0.412 322 1HB GLU 41 1HB GLU 41 -4.601 4.370 -0.886 323 2HB GLU 41 2HB GLU 41 -4.888 5.273 0.594 324 1HG GLU 41 1HG GLU 41 -3.043 6.802 0.002 325 2HG GLU 41 2HG GLU 41 -2.795 5.873 -1.467 326 H LYS 42 H LYS 42 -1.404 5.711 1.757 327 HA LYS 42 HA LYS 42 0.650 5.443 -0.433 328 1HB LYS 42 1HB LYS 42 -0.377 7.694 1.160 329 2HB LYS 42 2HB LYS 42 1.386 7.602 1.144 330 1HG LYS 42 1HG LYS 42 0.465 8.935 -0.745 331 2HG LYS 42 2HG LYS 42 1.403 7.541 -1.276 332 1HD LYS 42 1HD LYS 42 -1.144 6.499 -1.015 333 2HD LYS 42 2HD LYS 42 -1.453 8.116 -1.643 334 1HE LYS 42 1HE LYS 42 -0.621 7.592 -3.681 335 2HE LYS 42 2HE LYS 42 0.788 6.796 -2.984 336 1HZ LYS 42 1HZ LYS 42 -1.912 5.568 -3.055 337 2HZ LYS 42 2HZ LYS 42 -0.743 5.310 -4.251 338 3HZ LYS 42 3HZ LYS 42 -0.448 4.807 -2.656 339 H LYS 43 H LYS 43 0.335 5.966 3.070 340 HA LYS 43 HA LYS 43 2.841 5.592 4.066 341 1HB LYS 43 1HB LYS 43 0.195 4.960 5.037 342 2HB LYS 43 2HB LYS 43 1.385 3.797 5.638 343 1HG LYS 43 1HG LYS 43 1.582 6.818 5.822 344 2HG LYS 43 2HG LYS 43 1.224 5.725 7.148 345 1HD LYS 43 1HD LYS 43 3.428 5.502 7.517 346 2HD LYS 43 2HD LYS 43 3.570 4.727 5.940 347 1HE LYS 43 1HE LYS 43 3.924 6.889 4.863 348 2HE LYS 43 2HE LYS 43 3.648 7.728 6.390 349 1HZ LYS 43 1HZ LYS 43 5.569 6.553 7.313 350 2HZ LYS 43 2HZ LYS 43 5.857 5.834 5.800 351 3HZ LYS 43 3HZ LYS 43 5.995 7.515 5.979 352 H LEU 44 H LEU 44 0.859 3.035 2.653 353 HA LEU 44 HA LEU 44 2.867 1.000 3.292 354 1HB LEU 44 1HB LEU 44 0.958 -0.185 3.352 355 2HB LEU 44 2HB LEU 44 0.056 1.149 2.637 356 HG LEU 44 HG LEU 44 1.016 0.427 0.426 357 1HD1 LEU 44 1HD1 LEU 44 -1.307 0.061 1.233 358 2HD1 LEU 44 2HD1 LEU 44 -0.758 -1.226 0.158 359 3HD1 LEU 44 3HD1 LEU 44 -0.796 -1.489 1.901 360 1HD2 LEU 44 1HD2 LEU 44 2.256 -1.482 2.235 361 2HD2 LEU 44 2HD2 LEU 44 1.269 -2.332 1.040 362 3HD2 LEU 44 3HD2 LEU 44 2.555 -1.249 0.508 363 H LEU 45 H LEU 45 1.619 2.804 0.531 364 HA LEU 45 HA LEU 45 2.886 1.487 -1.595 365 1HB LEU 45 1HB LEU 45 1.617 3.997 -1.173 366 2HB LEU 45 2HB LEU 45 3.097 4.278 -2.064 367 HG LEU 45 HG LEU 45 2.362 2.304 -3.535 368 1HD1 LEU 45 1HD1 LEU 45 0.697 1.566 -1.851 369 2HD1 LEU 45 2HD1 LEU 45 -0.240 2.997 -2.231 370 3HD1 LEU 45 3HD1 LEU 45 0.025 1.775 -3.468 371 1HD2 LEU 45 1HD2 LEU 45 1.232 5.053 -3.374 372 2HD2 LEU 45 2HD2 LEU 45 2.173 4.309 -4.670 373 3HD2 LEU 45 3HD2 LEU 45 0.457 3.934 -4.502 374 H LYS 46 H LYS 46 4.263 3.914 0.654 375 HA LYS 46 HA LYS 46 6.711 4.390 -0.662 376 1HB LYS 46 1HB LYS 46 5.644 4.945 1.872 377 2HB LYS 46 2HB LYS 46 7.107 4.017 2.201 378 1HG LYS 46 1HG LYS 46 7.800 6.302 2.078 379 2HG LYS 46 2HG LYS 46 8.293 5.570 0.551 380 1HD LYS 46 1HD LYS 46 5.629 6.464 0.190 381 2HD LYS 46 2HD LYS 46 6.491 7.777 0.991 382 1HE LYS 46 1HE LYS 46 7.557 6.326 -1.446 383 2HE LYS 46 2HE LYS 46 6.623 7.818 -1.538 384 1HZ LYS 46 1HZ LYS 46 8.517 8.340 0.346 385 2HZ LYS 46 2HZ LYS 46 9.363 7.430 -0.813 386 3HZ LYS 46 3HZ LYS 46 8.560 8.850 -1.275 387 H LEU 47 H LEU 47 5.701 1.704 1.359 388 HA LEU 47 HA LEU 47 8.294 0.308 1.136 389 1HB LEU 47 1HB LEU 47 5.613 -0.560 2.242 390 2HB LEU 47 2HB LEU 47 7.137 -1.407 2.484 391 HG LEU 47 HG LEU 47 6.877 1.474 3.295 392 1HD1 LEU 47 1HD1 LEU 47 8.697 -0.812 3.727 393 2HD1 LEU 47 2HD1 LEU 47 9.034 0.918 3.783 394 3HD1 LEU 47 3HD1 LEU 47 8.329 0.112 5.184 395 1HD2 LEU 47 1HD2 LEU 47 5.425 -0.835 4.381 396 2HD2 LEU 47 2HD2 LEU 47 6.396 0.001 5.596 397 3HD2 LEU 47 3HD2 LEU 47 5.175 0.889 4.682 398 H ARG 48 H ARG 48 5.305 0.533 -0.479 399 HA ARG 48 HA ARG 48 5.717 -2.021 -1.950 400 1HB ARG 48 1HB ARG 48 3.619 -1.999 -0.809 401 2HB ARG 48 2HB ARG 48 3.279 -0.353 -1.309 402 1HG ARG 48 1HG ARG 48 3.710 -2.283 -3.498 403 2HG ARG 48 2HG ARG 48 2.248 -2.524 -2.541 404 1HD ARG 48 1HD ARG 48 2.753 0.298 -3.219 405 2HD ARG 48 2HD ARG 48 2.503 -0.715 -4.614 406 HE ARG 48 HE ARG 48 0.488 -0.080 -2.583 407 1HH1 ARG 48 1HH1 ARG 48 -0.837 0.288 -4.839 408 2HH1 ARG 48 2HH1 ARG 48 -1.414 -1.234 -5.421 409 1HH2 ARG 48 1HH2 ARG 48 0.755 -3.105 -3.464 410 2HH2 ARG 48 2HH2 ARG 48 -0.520 -3.160 -4.632 411 H GLU 49 H GLU 49 6.776 0.901 -2.468 412 HA GLU 49 HA GLU 49 5.511 1.473 -5.066 413 1HB GLU 49 1HB GLU 49 7.474 2.829 -3.279 414 2HB GLU 49 2HB GLU 49 7.614 3.163 -5.005 415 1HG GLU 49 1HG GLU 49 5.197 3.749 -5.060 416 2HG GLU 49 2HG GLU 49 5.112 3.485 -3.320 417 H GLN 50 H GLN 50 6.357 -0.930 -5.480 418 HA GLN 50 HA GLN 50 7.948 -2.357 -6.495 419 1HB GLN 50 1HB GLN 50 8.469 -1.594 -8.734 420 2HB GLN 50 2HB GLN 50 6.842 -1.047 -8.329 421 1HG GLN 50 1HG GLN 50 9.132 0.772 -7.695 422 2HG GLN 50 2HG GLN 50 8.636 0.618 -9.378 423 2HE2 GLN 50 2HE2 GLN 50 8.103 3.075 -8.676 424 1HE2 GLN 50 1HE2 GLN 50 6.504 3.327 -8.167 425 H GLY 51 H GLY 51 10.214 -1.245 -8.113 426 1HA GLY 51 1HA GLY 51 12.012 0.306 -6.619 427 2HA GLY 51 2HA GLY 51 12.517 -0.955 -7.744 428 H THR 52 H THR 52 10.904 -2.916 -6.011 429 HA THR 52 HA THR 52 12.258 -2.964 -3.442 430 HB THR 52 HB THR 52 10.879 -5.287 -4.808 431 HG1 THR 52 HG1 THR 52 9.472 -3.557 -4.835 432 1HG2 THR 52 1HG2 THR 52 12.225 -5.587 -2.657 433 2HG2 THR 52 2HG2 THR 52 11.016 -4.567 -1.877 434 3HG2 THR 52 3HG2 THR 52 10.540 -6.106 -2.595 435 H GLU 53 H GLU 53 12.747 -4.541 -6.575 436 HA GLU 53 HA GLU 53 15.535 -4.879 -6.242 437 1HB GLU 53 1HB GLU 53 15.655 -7.330 -5.812 438 2HB GLU 53 2HB GLU 53 14.977 -6.447 -4.444 439 1HG GLU 53 1HG GLU 53 12.719 -7.052 -5.106 440 2HG GLU 53 2HG GLU 53 13.311 -7.794 -6.592 441 H SER 54 H SER 54 14.121 -4.070 -8.390 442 HA SER 54 HA SER 54 13.591 -4.532 -10.638 443 1HB SER 54 1HB SER 54 15.958 -4.674 -10.883 444 2HB SER 54 2HB SER 54 16.021 -6.242 -10.078 445 HG SER 54 HG SER 54 14.569 -5.828 -12.461 446 H ARG 55 H ARG 55 14.785 -7.801 -10.306 447 HA ARG 55 HA ARG 55 13.653 -9.814 -10.793 448 1HB ARG 55 1HB ARG 55 13.238 -9.531 -8.374 449 2HB ARG 55 2HB ARG 55 11.790 -8.589 -8.734 450 1HG ARG 55 1HG ARG 55 11.372 -11.039 -8.215 451 2HG ARG 55 2HG ARG 55 10.715 -10.483 -9.754 452 1HD ARG 55 1HD ARG 55 11.964 -12.698 -9.851 453 2HD ARG 55 2HD ARG 55 12.528 -11.465 -10.984 454 HE ARG 55 HE ARG 55 14.065 -11.213 -8.570 455 1HH1 ARG 55 1HH1 ARG 55 15.384 -11.383 -11.196 456 2HH1 ARG 55 2HH1 ARG 55 16.140 -12.941 -11.158 457 1HH2 ARG 55 1HH2 ARG 55 14.220 -14.103 -8.516 458 2HH2 ARG 55 2HH2 ARG 55 15.481 -14.480 -9.640 459 H SER 56 H SER 56 13.140 -8.519 -12.948 460 HA SER 56 HA SER 56 10.252 -7.943 -13.228 461 1HB SER 56 1HB SER 56 12.659 -7.601 -15.015 462 2HB SER 56 2HB SER 56 11.023 -7.466 -15.660 463 HG SER 56 HG SER 56 11.051 -5.523 -14.912 464 H SER 57 H SER 57 12.695 -10.159 -14.596 465 HA SER 57 HA SER 57 10.639 -12.225 -14.912 466 1HB SER 57 1HB SER 57 10.265 -11.019 -16.981 467 2HB SER 57 2HB SER 57 11.996 -10.974 -17.317 468 HG SER 57 HG SER 57 10.688 -13.426 -16.916 No H/Q in entry = 468 Start of MODEL 9 1 H1 ARG 1 H1 ARG 1 6.490 -6.911 -17.949 2 H2 ARG 1 H2 ARG 1 5.782 -7.923 -16.782 3 H3 ARG 1 H3 ARG 1 6.076 -8.510 -18.345 4 HA ARG 1 HA ARG 1 4.457 -7.014 -19.281 5 1HB ARG 1 1HB ARG 1 3.702 -8.805 -16.970 6 2HB ARG 1 2HB ARG 1 2.431 -7.866 -17.750 7 1HG ARG 1 1HG ARG 1 4.234 -9.971 -18.988 8 2HG ARG 1 2HG ARG 1 2.474 -9.978 -18.868 9 1HD ARG 1 1HD ARG 1 4.212 -8.247 -20.650 10 2HD ARG 1 2HD ARG 1 2.924 -9.358 -21.131 11 HE ARG 1 HE ARG 1 1.785 -7.345 -19.429 12 1HH1 ARG 1 1HH1 ARG 1 3.743 -5.851 -21.302 13 2HH1 ARG 1 2HH1 ARG 1 2.667 -5.395 -22.580 14 1HH2 ARG 1 1HH2 ARG 1 0.164 -7.594 -21.613 15 2HH2 ARG 1 2HH2 ARG 1 0.640 -6.381 -22.756 16 H GLN 2 H GLN 2 5.634 -6.137 -16.229 17 HA GLN 2 HA GLN 2 4.409 -3.525 -16.374 18 1HB GLN 2 1HB GLN 2 3.198 -3.758 -14.142 19 2HB GLN 2 2HB GLN 2 2.434 -4.568 -15.509 20 1HG GLN 2 1HG GLN 2 3.134 -6.700 -14.793 21 2HG GLN 2 2HG GLN 2 4.398 -6.037 -13.757 22 2HE2 GLN 2 2HE2 GLN 2 1.758 -7.732 -13.292 23 1HE2 GLN 2 1HE2 GLN 2 1.060 -6.956 -11.953 24 H GLU 3 H GLU 3 5.035 -2.217 -14.370 25 HA GLU 3 HA GLU 3 7.124 -3.339 -12.661 26 1HB GLU 3 1HB GLU 3 8.422 -2.925 -14.704 27 2HB GLU 3 2HB GLU 3 7.836 -1.262 -14.756 28 1HG GLU 3 1HG GLU 3 9.893 -0.987 -13.691 29 2HG GLU 3 2HG GLU 3 8.808 -1.153 -12.310 30 H ASP 4 H ASP 4 5.258 -2.476 -11.305 31 HA ASP 4 HA ASP 4 5.906 0.299 -10.495 32 1HB ASP 4 1HB ASP 4 3.296 -0.621 -11.623 33 2HB ASP 4 2HB ASP 4 3.250 0.508 -10.269 34 H LYS 5 H LYS 5 3.889 -2.573 -9.858 35 HA LYS 5 HA LYS 5 3.720 -3.800 -7.845 36 1HB LYS 5 1HB LYS 5 6.040 -2.625 -7.366 37 2HB LYS 5 2HB LYS 5 5.075 -1.621 -6.288 38 1HG LYS 5 1HG LYS 5 5.857 -3.459 -4.965 39 2HG LYS 5 2HG LYS 5 4.156 -3.786 -5.298 40 1HD LYS 5 1HD LYS 5 4.710 -5.719 -6.310 41 2HD LYS 5 2HD LYS 5 5.735 -4.846 -7.448 42 1HE LYS 5 1HE LYS 5 7.030 -6.531 -6.177 43 2HE LYS 5 2HE LYS 5 7.590 -4.894 -5.828 44 1HZ LYS 5 1HZ LYS 5 5.907 -5.016 -3.913 45 2HZ LYS 5 2HZ LYS 5 5.973 -6.697 -4.147 46 3HZ LYS 5 3HZ LYS 5 7.383 -5.837 -3.745 47 H ASP 6 H ASP 6 3.576 -0.285 -7.068 48 HA ASP 6 HA ASP 6 1.250 -0.622 -5.388 49 1HB ASP 6 1HB ASP 6 1.395 1.690 -5.058 50 2HB ASP 6 2HB ASP 6 3.054 1.266 -5.440 51 H ASP 7 H ASP 7 1.420 -1.011 -8.647 52 HA ASP 7 HA ASP 7 -0.488 0.501 -9.920 53 1HB ASP 7 1HB ASP 7 0.556 -1.237 -11.163 54 2HB ASP 7 2HB ASP 7 -0.003 -2.479 -10.043 55 H LEU 8 H LEU 8 -1.190 -2.223 -7.695 56 HA LEU 8 HA LEU 8 -3.937 -2.440 -7.940 57 1HB LEU 8 1HB LEU 8 -2.523 -3.681 -6.261 58 2HB LEU 8 2HB LEU 8 -2.529 -2.231 -5.259 59 HG LEU 8 HG LEU 8 -5.208 -3.073 -6.164 60 1HD1 LEU 8 1HD1 LEU 8 -3.829 -5.239 -5.712 61 2HD1 LEU 8 2HD1 LEU 8 -3.916 -4.747 -4.021 62 3HD1 LEU 8 3HD1 LEU 8 -5.398 -5.063 -4.925 63 1HD2 LEU 8 1HD2 LEU 8 -3.875 -2.060 -3.687 64 2HD2 LEU 8 2HD2 LEU 8 -5.289 -1.435 -4.533 65 3HD2 LEU 8 3HD2 LEU 8 -5.430 -2.880 -3.530 66 H ASP 9 H ASP 9 -5.751 -1.348 -6.949 67 HA ASP 9 HA ASP 9 -5.368 1.553 -6.780 68 1HB ASP 9 1HB ASP 9 -7.738 -0.297 -6.686 69 2HB ASP 9 2HB ASP 9 -7.911 1.387 -6.200 70 H VAL 10 H VAL 10 -3.918 1.285 -4.867 71 HA VAL 10 HA VAL 10 -4.636 0.254 -2.371 72 HB VAL 10 HB VAL 10 -3.316 2.603 -1.683 73 1HG1 VAL 10 1HG1 VAL 10 -3.128 2.918 -4.239 74 2HG1 VAL 10 2HG1 VAL 10 -1.669 3.079 -3.271 75 3HG1 VAL 10 3HG1 VAL 10 -1.964 1.593 -4.167 76 1HG2 VAL 10 1HG2 VAL 10 -2.957 -0.090 -1.406 77 2HG2 VAL 10 2HG2 VAL 10 -1.610 0.325 -2.466 78 3HG2 VAL 10 3HG2 VAL 10 -1.774 1.120 -0.897 79 H THR 11 H THR 11 -6.223 2.851 -3.956 80 HA THR 11 HA THR 11 -7.152 3.922 -1.345 81 HB THR 11 HB THR 11 -6.578 5.788 -2.550 82 HG1 THR 11 HG1 THR 11 -8.917 5.681 -2.102 83 1HG2 THR 11 1HG2 THR 11 -7.438 4.253 -5.003 84 2HG2 THR 11 2HG2 THR 11 -7.104 5.979 -5.049 85 3HG2 THR 11 3HG2 THR 11 -5.830 4.851 -4.595 86 H GLU 12 H GLU 12 -8.680 3.018 -4.502 87 HA GLU 12 HA GLU 12 -11.334 3.006 -3.445 88 1HB GLU 12 1HB GLU 12 -11.986 2.012 -5.467 89 2HB GLU 12 2HB GLU 12 -10.484 2.809 -5.929 90 1HG GLU 12 1HG GLU 12 -9.338 0.575 -5.309 91 2HG GLU 12 2HG GLU 12 -10.958 -0.118 -5.365 92 H LEU 13 H LEU 13 -8.723 0.764 -3.326 93 HA LEU 13 HA LEU 13 -9.680 -1.708 -2.797 94 1HB LEU 13 1HB LEU 13 -7.681 -2.100 -1.701 95 2HB LEU 13 2HB LEU 13 -7.310 -0.559 -2.459 96 HG LEU 13 HG LEU 13 -8.329 -0.933 0.360 97 1HD1 LEU 13 1HD1 LEU 13 -5.937 -1.636 -0.120 98 2HD1 LEU 13 2HD1 LEU 13 -5.619 0.027 -0.614 99 3HD1 LEU 13 3HD1 LEU 13 -6.084 -0.323 1.050 100 1HD2 LEU 13 1HD2 LEU 13 -7.666 1.508 -1.280 101 2HD2 LEU 13 2HD2 LEU 13 -9.110 1.190 -0.325 102 3HD2 LEU 13 3HD2 LEU 13 -7.582 1.541 0.476 103 H THR 14 H THR 14 -10.087 -2.869 -0.723 104 HA THR 14 HA THR 14 -12.142 -1.371 0.800 105 HB THR 14 HB THR 14 -12.774 -3.598 1.679 106 HG1 THR 14 HG1 THR 14 -11.515 -5.266 1.388 107 1HG2 THR 14 1HG2 THR 14 -12.508 -3.095 -1.259 108 2HG2 THR 14 2HG2 THR 14 -13.110 -4.663 -0.721 109 3HG2 THR 14 3HG2 THR 14 -13.964 -3.187 -0.267 110 H ASN 15 H ASN 15 -12.129 -2.546 3.251 111 HA ASN 15 HA ASN 15 -9.675 -1.431 4.428 112 1HB ASN 15 1HB ASN 15 -10.891 -1.960 6.603 113 2HB ASN 15 2HB ASN 15 -11.688 -0.795 5.546 114 2HD2 ASN 15 2HD2 ASN 15 -13.607 -1.530 4.348 115 1HD2 ASN 15 1HD2 ASN 15 -14.435 -2.940 4.807 116 H GLU 16 H GLU 16 -11.454 -4.531 4.670 117 HA GLU 16 HA GLU 16 -9.341 -5.853 6.103 118 1HB GLU 16 1HB GLU 16 -11.460 -6.879 6.289 119 2HB GLU 16 2HB GLU 16 -11.754 -6.800 4.555 120 1HG GLU 16 1HG GLU 16 -9.899 -8.454 4.218 121 2HG GLU 16 2HG GLU 16 -9.772 -8.609 5.969 122 H ASP 17 H ASP 17 -10.288 -5.917 2.668 123 HA ASP 17 HA ASP 17 -8.295 -7.695 1.760 124 1HB ASP 17 1HB ASP 17 -10.314 -6.432 0.533 125 2HB ASP 17 2HB ASP 17 -8.993 -5.388 0.009 126 H LEU 18 H LEU 18 -7.992 -4.253 2.562 127 HA LEU 18 HA LEU 18 -5.336 -4.205 1.311 128 1HB LEU 18 1HB LEU 18 -5.252 -1.938 1.685 129 2HB LEU 18 2HB LEU 18 -6.985 -2.210 1.518 130 HG LEU 18 HG LEU 18 -7.039 -2.403 4.076 131 1HD1 LEU 18 1HD1 LEU 18 -4.236 -2.039 3.646 132 2HD1 LEU 18 2HD1 LEU 18 -4.849 -0.620 4.493 133 3HD1 LEU 18 3HD1 LEU 18 -5.082 -2.228 5.183 134 1HD2 LEU 18 1HD2 LEU 18 -7.872 -0.458 2.774 135 2HD2 LEU 18 2HD2 LEU 18 -7.169 0.030 4.317 136 3HD2 LEU 18 3HD2 LEU 18 -6.255 0.240 2.826 137 H LEU 19 H LEU 19 -6.674 -4.994 4.358 138 HA LEU 19 HA LEU 19 -4.509 -4.365 6.076 139 1HB LEU 19 1HB LEU 19 -6.522 -6.624 6.095 140 2HB LEU 19 2HB LEU 19 -5.274 -6.503 7.330 141 HG LEU 19 HG LEU 19 -7.585 -4.647 6.796 142 1HD1 LEU 19 1HD1 LEU 19 -6.395 -6.095 9.173 143 2HD1 LEU 19 2HD1 LEU 19 -7.647 -4.860 9.343 144 3HD1 LEU 19 3HD1 LEU 19 -7.985 -6.339 8.444 145 1HD2 LEU 19 1HD2 LEU 19 -4.895 -3.973 7.940 146 2HD2 LEU 19 2HD2 LEU 19 -5.986 -2.971 6.975 147 3HD2 LEU 19 3HD2 LEU 19 -6.328 -3.268 8.679 148 H ASP 20 H ASP 20 -4.764 -6.608 3.482 149 HA ASP 20 HA ASP 20 -2.581 -8.331 4.424 150 1HB ASP 20 1HB ASP 20 -4.499 -9.026 2.849 151 2HB ASP 20 2HB ASP 20 -3.626 -8.150 1.592 152 H GLN 21 H GLN 21 -3.003 -5.548 2.329 153 HA GLN 21 HA GLN 21 -0.359 -5.631 1.194 154 1HB GLN 21 1HB GLN 21 -2.326 -3.312 1.428 155 2HB GLN 21 2HB GLN 21 -0.901 -3.358 0.403 156 1HG GLN 21 1HG GLN 21 -2.671 -5.638 0.006 157 2HG GLN 21 2HG GLN 21 -3.424 -4.106 -0.380 158 2HE2 GLN 21 2HE2 GLN 21 -1.988 -2.662 -1.875 159 1HE2 GLN 21 1HE2 GLN 21 -1.135 -3.488 -3.071 160 H LEU 22 H LEU 22 -1.732 -4.375 4.139 161 HA LEU 22 HA LEU 22 0.749 -2.813 4.640 162 1HB LEU 22 1HB LEU 22 -2.013 -2.810 5.786 163 2HB LEU 22 2HB LEU 22 -0.688 -2.339 6.844 164 HG LEU 22 HG LEU 22 -0.147 -1.011 4.477 165 1HD1 LEU 22 1HD1 LEU 22 -2.447 -1.596 3.703 166 2HD1 LEU 22 2HD1 LEU 22 -3.094 -0.777 5.128 167 3HD1 LEU 22 3HD1 LEU 22 -2.230 0.143 3.893 168 1HD2 LEU 22 1HD2 LEU 22 -0.418 -0.373 7.120 169 2HD2 LEU 22 2HD2 LEU 22 -0.111 0.795 5.844 170 3HD2 LEU 22 3HD2 LEU 22 -1.756 0.515 6.403 171 H VAL 23 H VAL 23 -1.286 -5.258 6.241 172 HA VAL 23 HA VAL 23 0.516 -5.770 8.369 173 HB VAL 23 HB VAL 23 -1.544 -7.587 7.084 174 1HG1 VAL 23 1HG1 VAL 23 0.230 -7.889 9.487 175 2HG1 VAL 23 2HG1 VAL 23 -1.384 -8.601 9.505 176 3HG1 VAL 23 3HG1 VAL 23 -0.217 -9.090 8.275 177 1HG2 VAL 23 1HG2 VAL 23 -2.129 -5.307 8.276 178 2HG2 VAL 23 2HG2 VAL 23 -3.082 -6.750 8.622 179 3HG2 VAL 23 3HG2 VAL 23 -1.823 -6.234 9.746 180 H LYS 24 H LYS 24 1.130 -6.450 5.066 181 HA LYS 24 HA LYS 24 2.810 -8.704 6.036 182 1HB LYS 24 1HB LYS 24 2.763 -9.695 3.859 183 2HB LYS 24 2HB LYS 24 1.111 -9.185 4.192 184 1HG LYS 24 1HG LYS 24 1.178 -8.013 2.285 185 2HG LYS 24 2HG LYS 24 2.315 -6.927 3.071 186 1HD LYS 24 1HD LYS 24 2.900 -9.336 1.307 187 2HD LYS 24 2HD LYS 24 3.359 -7.665 1.021 188 1HE LYS 24 1HE LYS 24 4.982 -7.744 2.857 189 2HE LYS 24 2HE LYS 24 4.457 -9.378 3.278 190 1HZ LYS 24 1HZ LYS 24 5.007 -9.693 0.708 191 2HZ LYS 24 2HZ LYS 24 6.124 -8.471 1.089 192 3HZ LYS 24 3HZ LYS 24 6.144 -9.941 1.941 193 H TYR 25 H TYR 25 2.990 -5.700 4.225 194 HA TYR 25 HA TYR 25 5.767 -6.094 3.512 195 1HB TYR 25 1HB TYR 25 3.887 -3.758 3.590 196 2HB TYR 25 2HB TYR 25 5.620 -3.457 3.478 197 HD1 TYR 25 HD1 TYR 25 2.662 -4.706 1.767 198 HD2 TYR 25 HD2 TYR 25 6.933 -4.363 1.578 199 HE1 TYR 25 HE1 TYR 25 2.593 -5.272 -0.654 200 HE2 TYR 25 HE2 TYR 25 6.879 -4.937 -0.839 201 HH TYR 25 HH TYR 25 5.350 -6.141 -2.407 202 H GLY 26 H GLY 26 4.280 -5.861 6.471 203 1HA GLY 26 1HA GLY 26 6.769 -4.816 7.701 204 2HA GLY 26 2HA GLY 26 5.573 -5.846 8.510 205 H VAL 27 H VAL 27 3.383 -4.355 7.178 206 HA VAL 27 HA VAL 27 3.607 -1.756 8.679 207 HB VAL 27 HB VAL 27 1.664 -2.309 6.418 208 1HG1 VAL 27 1HG1 VAL 27 1.140 -0.475 7.999 209 2HG1 VAL 27 2HG1 VAL 27 2.718 0.244 7.664 210 3HG1 VAL 27 3HG1 VAL 27 1.513 0.137 6.380 211 1HG2 VAL 27 1HG2 VAL 27 4.401 -2.249 6.091 212 2HG2 VAL 27 2HG2 VAL 27 3.227 -1.786 4.848 213 3HG2 VAL 27 3HG2 VAL 27 3.964 -0.553 5.879 214 H ASN 28 H ASN 28 2.355 -1.572 10.447 215 HA ASN 28 HA ASN 28 -0.167 -3.164 10.526 216 1HB ASN 28 1HB ASN 28 1.677 -4.129 11.957 217 2HB ASN 28 2HB ASN 28 1.610 -2.654 12.923 218 2HD2 ASN 28 2HD2 ASN 28 -0.935 -2.131 13.515 219 1HD2 ASN 28 1HD2 ASN 28 -1.805 -3.474 14.090 220 HA PRO 29 HA PRO 29 -1.256 1.177 11.238 221 1HB PRO 29 1HB PRO 29 -3.650 0.928 9.843 222 2HB PRO 29 2HB PRO 29 -2.110 1.400 9.123 223 1HG PRO 29 1HG PRO 29 -3.601 -1.149 8.921 224 2HG PRO 29 2HG PRO 29 -2.365 -0.454 7.845 225 1HD PRO 29 1HD PRO 29 -1.960 -2.522 9.760 226 2HD PRO 29 2HD PRO 29 -0.712 -1.695 8.836 227 H GLY 30 H GLY 30 -3.664 -1.528 11.354 228 1HA GLY 30 1HA GLY 30 -4.344 -0.582 14.091 229 2HA GLY 30 2HA GLY 30 -4.669 -2.192 13.470 230 HA PRO 31 HA PRO 31 -8.524 0.341 13.065 231 1HB PRO 31 1HB PRO 31 -8.338 3.049 13.467 232 2HB PRO 31 2HB PRO 31 -8.463 1.887 14.769 233 1HG PRO 31 1HG PRO 31 -6.196 3.484 13.921 234 2HG PRO 31 2HG PRO 31 -6.461 2.680 15.462 235 1HD PRO 31 1HD PRO 31 -4.767 1.775 13.336 236 2HD PRO 31 2HD PRO 31 -5.161 0.913 14.831 237 H ILE 32 H ILE 32 -8.618 -0.079 10.807 238 HA ILE 32 HA ILE 32 -7.741 2.116 8.995 239 HB ILE 32 HB ILE 32 -8.854 -0.611 8.288 240 1HG1 ILE 32 1HG1 ILE 32 -6.437 -0.198 9.523 241 2HG1 ILE 32 2HG1 ILE 32 -6.772 -1.514 8.410 242 1HG2 ILE 32 1HG2 ILE 32 -7.787 1.730 6.771 243 2HG2 ILE 32 2HG2 ILE 32 -7.540 0.110 6.124 244 3HG2 ILE 32 3HG2 ILE 32 -9.175 0.705 6.416 245 1HD1 ILE 32 1HD1 ILE 32 -5.922 1.088 7.223 246 2HD1 ILE 32 2HD1 ILE 32 -4.694 0.114 8.038 247 3HD1 ILE 32 3HD1 ILE 32 -5.604 -0.561 6.685 248 H VAL 33 H VAL 33 -9.702 3.118 10.337 249 HA VAL 33 HA VAL 33 -12.382 2.506 9.741 250 HB VAL 33 HB VAL 33 -12.626 5.142 9.933 251 1HG1 VAL 33 1HG1 VAL 33 -12.578 2.989 11.725 252 2HG1 VAL 33 2HG1 VAL 33 -11.558 4.216 12.475 253 3HG1 VAL 33 3HG1 VAL 33 -13.224 4.600 12.040 254 1HG2 VAL 33 1HG2 VAL 33 -9.924 5.088 9.669 255 2HG2 VAL 33 2HG2 VAL 33 -10.779 6.340 10.570 256 3HG2 VAL 33 3HG2 VAL 33 -10.062 4.978 11.425 257 H GLY 34 H GLY 34 -13.767 4.175 8.295 258 1HA GLY 34 1HA GLY 34 -14.352 4.658 6.070 259 2HA GLY 34 2HA GLY 34 -12.978 3.677 5.566 260 H THR 35 H THR 35 -11.834 5.932 7.713 261 HA THR 35 HA THR 35 -11.330 7.952 5.589 262 HB THR 35 HB THR 35 -10.440 8.925 8.087 263 HG1 THR 35 HG1 THR 35 -11.641 7.532 9.235 264 1HG2 THR 35 1HG2 THR 35 -11.458 10.202 6.209 265 2HG2 THR 35 2HG2 THR 35 -13.022 9.488 6.603 266 3HG2 THR 35 3HG2 THR 35 -12.225 10.559 7.756 267 H THR 36 H THR 36 -9.881 5.307 6.869 268 HA THR 36 HA THR 36 -7.186 6.557 6.935 269 HB THR 36 HB THR 36 -6.583 4.180 7.801 270 HG1 THR 36 HG1 THR 36 -8.647 3.314 7.241 271 1HG2 THR 36 1HG2 THR 36 -8.318 6.126 9.336 272 2HG2 THR 36 2HG2 THR 36 -7.270 4.906 10.074 273 3HG2 THR 36 3HG2 THR 36 -6.566 6.231 9.131 274 H ARG 37 H ARG 37 -8.788 3.678 5.427 275 HA ARG 37 HA ARG 37 -6.805 2.606 3.942 276 1HB ARG 37 1HB ARG 37 -9.318 3.483 2.519 277 2HB ARG 37 2HB ARG 37 -8.273 2.137 2.102 278 1HG ARG 37 1HG ARG 37 -9.758 0.894 3.264 279 2HG ARG 37 2HG ARG 37 -8.864 1.478 4.678 280 1HD ARG 37 1HD ARG 37 -11.654 2.109 3.865 281 2HD ARG 37 2HD ARG 37 -10.868 2.431 5.411 282 HE ARG 37 HE ARG 37 -9.985 4.550 4.374 283 1HH1 ARG 37 1HH1 ARG 37 -13.064 3.322 3.735 284 2HH1 ARG 37 2HH1 ARG 37 -13.436 4.451 2.475 285 1HH2 ARG 37 1HH2 ARG 37 -10.241 5.794 2.368 286 2HH2 ARG 37 2HH2 ARG 37 -11.839 5.849 1.701 287 H LYS 38 H LYS 38 -8.305 5.729 2.992 288 HA LYS 38 HA LYS 38 -6.684 6.224 0.727 289 1HB LYS 38 1HB LYS 38 -8.499 7.714 1.102 290 2HB LYS 38 2HB LYS 38 -7.989 8.043 2.758 291 1HG LYS 38 1HG LYS 38 -6.207 9.411 2.067 292 2HG LYS 38 2HG LYS 38 -6.193 8.732 0.440 293 1HD LYS 38 1HD LYS 38 -8.482 10.371 1.562 294 2HD LYS 38 2HD LYS 38 -7.188 11.044 0.572 295 1HE LYS 38 1HE LYS 38 -8.364 10.442 -1.253 296 2HE LYS 38 2HE LYS 38 -8.086 8.758 -0.810 297 1HZ LYS 38 1HZ LYS 38 -10.060 9.105 0.757 298 2HZ LYS 38 2HZ LYS 38 -10.406 10.472 -0.191 299 3HZ LYS 38 3HZ LYS 38 -10.381 8.933 -0.903 300 H LEU 39 H LEU 39 -6.197 7.274 4.106 301 HA LEU 39 HA LEU 39 -3.635 8.418 3.831 302 1HB LEU 39 1HB LEU 39 -5.335 8.049 5.936 303 2HB LEU 39 2HB LEU 39 -4.150 6.798 6.278 304 HG LEU 39 HG LEU 39 -3.509 9.714 5.844 305 1HD1 LEU 39 1HD1 LEU 39 -4.650 9.224 8.000 306 2HD1 LEU 39 2HD1 LEU 39 -3.436 7.991 8.342 307 3HD1 LEU 39 3HD1 LEU 39 -2.966 9.689 8.247 308 1HD2 LEU 39 1HD2 LEU 39 -1.879 7.220 6.302 309 2HD2 LEU 39 2HD2 LEU 39 -1.610 8.499 5.118 310 3HD2 LEU 39 3HD2 LEU 39 -1.264 8.788 6.826 311 H TYR 40 H TYR 40 -4.264 5.139 5.091 312 HA TYR 40 HA TYR 40 -1.556 4.305 4.875 313 1HB TYR 40 1HB TYR 40 -4.159 2.775 5.001 314 2HB TYR 40 2HB TYR 40 -2.581 1.993 5.046 315 HD1 TYR 40 HD1 TYR 40 -0.850 3.226 6.713 316 HD2 TYR 40 HD2 TYR 40 -5.130 3.272 7.048 317 HE1 TYR 40 HE1 TYR 40 -0.656 3.733 9.131 318 HE2 TYR 40 HE2 TYR 40 -4.939 3.793 9.463 319 HH TYR 40 HH TYR 40 -1.827 3.759 11.107 320 H GLU 41 H GLU 41 -3.818 4.912 2.448 321 HA GLU 41 HA GLU 41 -3.213 2.867 0.580 322 1HB GLU 41 1HB GLU 41 -4.703 4.008 -0.723 323 2HB GLU 41 2HB GLU 41 -4.908 5.070 0.661 324 1HG GLU 41 1HG GLU 41 -3.035 6.473 -0.189 325 2HG GLU 41 2HG GLU 41 -2.967 5.421 -1.593 326 H LYS 42 H LYS 42 -1.379 5.580 1.711 327 HA LYS 42 HA LYS 42 0.532 5.133 -0.520 328 1HB LYS 42 1HB LYS 42 -0.172 7.431 -0.524 329 2HB LYS 42 2HB LYS 42 -0.001 7.555 1.226 330 1HG LYS 42 1HG LYS 42 1.880 8.588 -0.177 331 2HG LYS 42 2HG LYS 42 2.378 7.476 1.098 332 1HD LYS 42 1HD LYS 42 3.608 6.852 -0.859 333 2HD LYS 42 2HD LYS 42 2.347 5.643 -0.656 334 1HE LYS 42 1HE LYS 42 1.176 7.694 -2.193 335 2HE LYS 42 2HE LYS 42 2.788 7.466 -2.870 336 1HZ LYS 42 1HZ LYS 42 1.083 5.141 -2.264 337 2HZ LYS 42 2HZ LYS 42 0.867 5.998 -3.709 338 3HZ LYS 42 3HZ LYS 42 2.358 5.265 -3.376 339 H LYS 43 H LYS 43 0.178 5.584 2.972 340 HA LYS 43 HA LYS 43 2.768 5.446 3.933 341 1HB LYS 43 1HB LYS 43 0.226 5.048 5.027 342 2HB LYS 43 2HB LYS 43 1.112 3.556 5.384 343 1HG LYS 43 1HG LYS 43 1.917 4.749 7.147 344 2HG LYS 43 2HG LYS 43 3.009 5.420 5.947 345 1HD LYS 43 1HD LYS 43 1.335 7.251 5.536 346 2HD LYS 43 2HD LYS 43 0.388 6.618 6.882 347 1HE LYS 43 1HE LYS 43 1.664 8.228 7.970 348 2HE LYS 43 2HE LYS 43 2.685 6.806 8.178 349 1HZ LYS 43 1HZ LYS 43 3.587 7.622 5.857 350 2HZ LYS 43 2HZ LYS 43 3.059 9.126 6.446 351 3HZ LYS 43 3HZ LYS 43 4.204 8.229 7.320 352 H LEU 44 H LEU 44 0.832 2.743 2.679 353 HA LEU 44 HA LEU 44 2.962 0.829 3.294 354 1HB LEU 44 1HB LEU 44 1.187 -0.521 3.383 355 2HB LEU 44 2HB LEU 44 0.146 0.788 2.829 356 HG LEU 44 HG LEU 44 1.007 0.185 0.481 357 1HD1 LEU 44 1HD1 LEU 44 -0.792 -1.647 2.071 358 2HD1 LEU 44 2HD1 LEU 44 -1.276 -0.137 1.304 359 3HD1 LEU 44 3HD1 LEU 44 -0.785 -1.513 0.311 360 1HD2 LEU 44 1HD2 LEU 44 2.317 -1.786 2.159 361 2HD2 LEU 44 2HD2 LEU 44 1.203 -2.600 1.048 362 3HD2 LEU 44 3HD2 LEU 44 2.477 -1.554 0.411 363 H LEU 45 H LEU 45 1.766 2.706 0.641 364 HA LEU 45 HA LEU 45 3.035 1.255 -1.486 365 1HB LEU 45 1HB LEU 45 1.616 3.785 -1.125 366 2HB LEU 45 2HB LEU 45 2.846 3.847 -2.370 367 HG LEU 45 HG LEU 45 1.865 1.686 -3.263 368 1HD1 LEU 45 1HD1 LEU 45 0.565 1.845 -0.814 369 2HD1 LEU 45 2HD1 LEU 45 -0.681 2.244 -1.986 370 3HD1 LEU 45 3HD1 LEU 45 0.176 0.715 -2.105 371 1HD2 LEU 45 1HD2 LEU 45 1.343 3.965 -4.216 372 2HD2 LEU 45 2HD2 LEU 45 0.033 2.803 -4.411 373 3HD2 LEU 45 3HD2 LEU 45 -0.060 4.030 -3.148 374 H LYS 46 H LYS 46 4.215 3.525 0.880 375 HA LYS 46 HA LYS 46 6.559 4.377 -0.591 376 1HB LYS 46 1HB LYS 46 5.817 4.320 2.338 377 2HB LYS 46 2HB LYS 46 7.438 4.786 1.823 378 1HG LYS 46 1HG LYS 46 6.721 6.834 1.213 379 2HG LYS 46 2HG LYS 46 5.434 6.143 0.223 380 1HD LYS 46 1HD LYS 46 3.867 6.456 1.830 381 2HD LYS 46 2HD LYS 46 4.950 5.926 3.116 382 1HE LYS 46 1HE LYS 46 6.029 8.102 3.181 383 2HE LYS 46 2HE LYS 46 5.114 8.641 1.771 384 1HZ LYS 46 1HZ LYS 46 3.276 7.706 3.630 385 2HZ LYS 46 2HZ LYS 46 4.362 8.694 4.485 386 3HZ LYS 46 3HZ LYS 46 3.532 9.312 3.141 387 H LEU 47 H LEU 47 5.619 1.595 1.217 388 HA LEU 47 HA LEU 47 8.367 0.456 1.237 389 1HB LEU 47 1HB LEU 47 5.742 -0.647 2.280 390 2HB LEU 47 2HB LEU 47 7.335 -1.334 2.577 391 HG LEU 47 HG LEU 47 6.832 1.519 3.334 392 1HD1 LEU 47 1HD1 LEU 47 8.672 -0.723 4.022 393 2HD1 LEU 47 2HD1 LEU 47 9.016 0.999 3.851 394 3HD1 LEU 47 3HD1 LEU 47 8.260 0.394 5.324 395 1HD2 LEU 47 1HD2 LEU 47 5.272 -0.705 4.275 396 2HD2 LEU 47 2HD2 LEU 47 6.323 -0.162 5.585 397 3HD2 LEU 47 3HD2 LEU 47 5.216 0.976 4.816 398 H ARG 48 H ARG 48 5.884 0.730 -0.903 399 HA ARG 48 HA ARG 48 6.558 -1.852 -2.215 400 1HB ARG 48 1HB ARG 48 4.571 -2.430 -1.112 401 2HB ARG 48 2HB ARG 48 3.879 -0.828 -1.310 402 1HG ARG 48 1HG ARG 48 4.467 -2.411 -3.768 403 2HG ARG 48 2HG ARG 48 3.075 -2.869 -2.798 404 1HD ARG 48 1HD ARG 48 3.380 0.046 -3.249 405 2HD ARG 48 2HD ARG 48 3.041 -0.880 -4.698 406 HE ARG 48 HE ARG 48 0.929 -0.148 -3.435 407 1HH1 ARG 48 1HH1 ARG 48 1.391 -3.187 -4.239 408 2HH1 ARG 48 2HH1 ARG 48 0.626 -3.947 -2.885 409 1HH2 ARG 48 1HH2 ARG 48 0.483 -1.038 -0.998 410 2HH2 ARG 48 2HH2 ARG 48 0.099 -2.726 -1.054 411 H GLU 49 H GLU 49 6.805 1.302 -2.642 412 HA GLU 49 HA GLU 49 5.450 1.583 -5.234 413 1HB GLU 49 1HB GLU 49 7.030 3.363 -3.422 414 2HB GLU 49 2HB GLU 49 7.013 3.762 -5.140 415 1HG GLU 49 1HG GLU 49 4.442 3.134 -3.702 416 2HG GLU 49 2HG GLU 49 5.142 4.749 -3.608 417 H GLN 50 H GLN 50 6.734 -0.422 -5.892 418 HA GLN 50 HA GLN 50 9.435 -0.680 -6.309 419 1HB GLN 50 1HB GLN 50 7.876 -2.356 -7.127 420 2HB GLN 50 2HB GLN 50 7.235 -1.229 -8.323 421 1HG GLN 50 1HG GLN 50 8.768 -2.537 -9.555 422 2HG GLN 50 2HG GLN 50 9.679 -1.076 -9.179 423 2HE2 GLN 50 2HE2 GLN 50 11.659 -1.394 -8.133 424 1HE2 GLN 50 1HE2 GLN 50 12.123 -2.830 -7.354 425 H GLY 51 H GLY 51 10.840 0.900 -6.905 426 1HA GLY 51 1HA GLY 51 10.327 3.271 -8.262 427 2HA GLY 51 2HA GLY 51 10.655 2.099 -9.541 428 H THR 52 H THR 52 12.033 3.890 -6.865 429 HA THR 52 HA THR 52 14.659 2.618 -7.102 430 HB THR 52 HB THR 52 15.795 4.674 -7.907 431 HG1 THR 52 HG1 THR 52 14.480 6.320 -8.756 432 1HG2 THR 52 1HG2 THR 52 15.070 2.860 -9.479 433 2HG2 THR 52 2HG2 THR 52 13.595 3.777 -9.786 434 3HG2 THR 52 3HG2 THR 52 15.162 4.449 -10.236 435 H GLU 53 H GLU 53 15.221 2.597 -4.938 436 HA GLU 53 HA GLU 53 15.029 5.155 -3.445 437 1HB GLU 53 1HB GLU 53 13.040 3.929 -2.775 438 2HB GLU 53 2HB GLU 53 13.988 2.469 -2.490 439 1HG GLU 53 1HG GLU 53 14.159 3.187 -0.352 440 2HG GLU 53 2HG GLU 53 15.306 4.371 -0.977 441 H SER 54 H SER 54 17.321 5.301 -3.605 442 HA SER 54 HA SER 54 18.959 3.060 -2.617 443 1HB SER 54 1HB SER 54 20.858 4.405 -3.266 444 2HB SER 54 2HB SER 54 19.657 4.526 -4.552 445 HG SER 54 HG SER 54 18.967 6.429 -3.058 446 H ARG 55 H ARG 55 17.257 3.926 -0.610 447 HA ARG 55 HA ARG 55 19.151 5.337 1.225 448 1HB ARG 55 1HB ARG 55 17.125 6.705 0.553 449 2HB ARG 55 2HB ARG 55 16.130 5.498 1.365 450 1HG ARG 55 1HG ARG 55 16.668 6.277 3.423 451 2HG ARG 55 2HG ARG 55 18.378 6.397 3.016 452 1HD ARG 55 1HD ARG 55 16.884 8.569 3.507 453 2HD ARG 55 2HD ARG 55 18.210 8.593 2.339 454 HE ARG 55 HE ARG 55 15.685 7.796 1.082 455 1HH1 ARG 55 1HH1 ARG 55 17.908 9.614 -0.002 456 2HH1 ARG 55 2HH1 ARG 55 17.074 11.130 -0.092 457 1HH2 ARG 55 1HH2 ARG 55 14.459 10.113 1.946 458 2HH2 ARG 55 2HH2 ARG 55 15.121 11.412 1.011 459 H SER 56 H SER 56 18.924 4.675 3.508 460 HA SER 56 HA SER 56 17.252 2.515 4.345 461 1HB SER 56 1HB SER 56 18.395 0.965 3.022 462 2HB SER 56 2HB SER 56 19.937 1.802 3.200 463 HG SER 56 HG SER 56 18.562 0.217 5.091 464 H SER 57 H SER 57 20.747 3.088 4.867 465 HA SER 57 HA SER 57 20.135 4.286 7.504 466 1HB SER 57 1HB SER 57 20.468 1.640 7.525 467 2HB SER 57 2HB SER 57 22.171 2.095 7.487 468 HG SER 57 HG SER 57 22.027 2.752 9.465 No H/Q in entry = 468 Start of MODEL 10 1 H1 ARG 1 H1 ARG 1 7.671 -2.372 -18.722 2 H2 ARG 1 H2 ARG 1 9.243 -2.130 -18.131 3 H3 ARG 1 H3 ARG 1 8.561 -3.686 -18.114 4 HA ARG 1 HA ARG 1 8.420 -2.920 -15.908 5 1HB ARG 1 1HB ARG 1 7.254 -0.398 -17.128 6 2HB ARG 1 2HB ARG 1 7.377 -0.719 -15.398 7 1HG ARG 1 1HG ARG 1 9.623 -0.342 -17.391 8 2HG ARG 1 2HG ARG 1 9.295 0.595 -15.935 9 1HD ARG 1 1HD ARG 1 9.768 -1.437 -14.559 10 2HD ARG 1 2HD ARG 1 10.182 -2.310 -16.039 11 HE ARG 1 HE ARG 1 11.763 0.077 -15.959 12 1HH1 ARG 1 1HH1 ARG 1 11.210 -2.240 -13.544 13 2HH1 ARG 1 2HH1 ARG 1 12.879 -2.650 -13.327 14 1HH2 ARG 1 1HH2 ARG 1 13.969 -0.739 -16.008 15 2HH2 ARG 1 2HH2 ARG 1 14.441 -1.800 -14.722 16 H GLN 2 H GLN 2 6.933 -4.527 -15.519 17 HA GLN 2 HA GLN 2 4.087 -3.886 -16.170 18 1HB GLN 2 1HB GLN 2 5.327 -6.652 -16.260 19 2HB GLN 2 2HB GLN 2 3.673 -6.221 -16.695 20 1HG GLN 2 1HG GLN 2 5.977 -4.869 -18.075 21 2HG GLN 2 2HG GLN 2 5.474 -6.480 -18.587 22 2HE2 GLN 2 2HE2 GLN 2 3.731 -6.563 -20.029 23 1HE2 GLN 2 1HE2 GLN 2 2.673 -5.272 -20.341 24 H GLU 3 H GLU 3 6.307 -4.391 -13.766 25 HA GLU 3 HA GLU 3 4.162 -5.303 -11.894 26 1HB GLU 3 1HB GLU 3 6.636 -6.618 -12.499 27 2HB GLU 3 2HB GLU 3 6.712 -6.025 -10.839 28 1HG GLU 3 1HG GLU 3 4.599 -7.823 -12.058 29 2HG GLU 3 2HG GLU 3 5.719 -8.217 -10.754 30 H ASP 4 H ASP 4 3.958 -2.885 -11.677 31 HA ASP 4 HA ASP 4 6.178 -1.467 -10.388 32 1HB ASP 4 1HB ASP 4 3.288 -0.677 -10.882 33 2HB ASP 4 2HB ASP 4 4.523 0.396 -10.225 34 H LYS 5 H LYS 5 3.539 -3.420 -9.411 35 HA LYS 5 HA LYS 5 3.091 -4.241 -7.243 36 1HB LYS 5 1HB LYS 5 5.485 -2.940 -6.797 37 2HB LYS 5 2HB LYS 5 4.388 -2.072 -5.739 38 1HG LYS 5 1HG LYS 5 5.339 -4.893 -5.590 39 2HG LYS 5 2HG LYS 5 5.000 -3.746 -4.301 40 1HD LYS 5 1HD LYS 5 3.155 -5.020 -3.943 41 2HD LYS 5 2HD LYS 5 2.482 -4.105 -5.284 42 1HE LYS 5 1HE LYS 5 3.504 -5.963 -6.798 43 2HE LYS 5 2HE LYS 5 3.639 -6.895 -5.305 44 1HZ LYS 5 1HZ LYS 5 1.106 -5.785 -5.322 45 2HZ LYS 5 2HZ LYS 5 1.356 -6.399 -6.886 46 3HZ LYS 5 3HZ LYS 5 1.520 -7.415 -5.535 47 H ASP 6 H ASP 6 3.393 -0.668 -7.099 48 HA ASP 6 HA ASP 6 0.927 -0.397 -5.609 49 1HB ASP 6 1HB ASP 6 1.178 2.083 -6.528 50 2HB ASP 6 2HB ASP 6 2.250 1.474 -5.267 51 H ASP 7 H ASP 7 1.299 -1.368 -8.741 52 HA ASP 7 HA ASP 7 -0.385 0.079 -10.380 53 1HB ASP 7 1HB ASP 7 -1.142 -2.127 -11.329 54 2HB ASP 7 2HB ASP 7 0.609 -2.001 -11.154 55 H LEU 8 H LEU 8 -1.216 -1.752 -7.519 56 HA LEU 8 HA LEU 8 -4.082 -1.729 -7.929 57 1HB LEU 8 1HB LEU 8 -2.693 -3.214 -6.309 58 2HB LEU 8 2HB LEU 8 -2.703 -1.818 -5.236 59 HG LEU 8 HG LEU 8 -5.376 -2.277 -6.205 60 1HD1 LEU 8 1HD1 LEU 8 -3.811 -4.674 -5.353 61 2HD1 LEU 8 2HD1 LEU 8 -5.468 -4.522 -4.774 62 3HD1 LEU 8 3HD1 LEU 8 -5.141 -4.557 -6.505 63 1HD2 LEU 8 1HD2 LEU 8 -4.039 -1.519 -3.859 64 2HD2 LEU 8 2HD2 LEU 8 -5.785 -1.612 -4.098 65 3HD2 LEU 8 3HD2 LEU 8 -4.909 -2.995 -3.440 66 H ASP 9 H ASP 9 -5.594 -0.279 -6.856 67 HA ASP 9 HA ASP 9 -4.799 2.466 -6.887 68 1HB ASP 9 1HB ASP 9 -7.225 0.941 -6.375 69 2HB ASP 9 2HB ASP 9 -7.090 2.318 -5.285 70 H VAL 10 H VAL 10 -5.159 0.135 -4.255 71 HA VAL 10 HA VAL 10 -4.401 0.148 -2.062 72 HB VAL 10 HB VAL 10 -2.841 2.611 -2.129 73 1HG1 VAL 10 1HG1 VAL 10 -2.733 0.784 -4.449 74 2HG1 VAL 10 2HG1 VAL 10 -2.211 2.463 -4.303 75 3HG1 VAL 10 3HG1 VAL 10 -1.186 1.159 -3.705 76 1HG2 VAL 10 1HG2 VAL 10 -2.540 -0.290 -1.485 77 2HG2 VAL 10 2HG2 VAL 10 -1.071 0.642 -1.776 78 3HG2 VAL 10 3HG2 VAL 10 -2.177 1.118 -0.485 79 H THR 11 H THR 11 -6.363 2.479 -3.353 80 HA THR 11 HA THR 11 -6.827 3.652 -0.651 81 HB THR 11 HB THR 11 -6.402 5.681 -1.528 82 HG1 THR 11 HG1 THR 11 -8.512 6.025 -1.799 83 1HG2 THR 11 1HG2 THR 11 -5.046 4.599 -3.280 84 2HG2 THR 11 2HG2 THR 11 -6.490 4.410 -4.277 85 3HG2 THR 11 3HG2 THR 11 -5.878 6.023 -3.910 86 H GLU 12 H GLU 12 -8.436 3.256 -3.851 87 HA GLU 12 HA GLU 12 -11.081 3.251 -2.735 88 1HB GLU 12 1HB GLU 12 -11.830 2.542 -4.873 89 2HB GLU 12 2HB GLU 12 -10.382 3.484 -5.221 90 1HG GLU 12 1HG GLU 12 -9.388 1.703 -6.165 91 2HG GLU 12 2HG GLU 12 -9.661 0.722 -4.729 92 H LEU 13 H LEU 13 -8.537 0.961 -2.914 93 HA LEU 13 HA LEU 13 -9.591 -1.549 -2.796 94 1HB LEU 13 1HB LEU 13 -7.615 -2.183 -1.748 95 2HB LEU 13 2HB LEU 13 -7.171 -0.568 -2.298 96 HG LEU 13 HG LEU 13 -8.127 -1.365 0.445 97 1HD1 LEU 13 1HD1 LEU 13 -5.736 -1.813 -0.111 98 2HD1 LEU 13 2HD1 LEU 13 -5.545 -0.117 -0.550 99 3HD1 LEU 13 3HD1 LEU 13 -5.893 -0.556 1.117 100 1HD2 LEU 13 1HD2 LEU 13 -8.954 0.918 -0.476 101 2HD2 LEU 13 2HD2 LEU 13 -8.168 0.891 1.095 102 3HD2 LEU 13 3HD2 LEU 13 -7.271 1.415 -0.326 103 H THR 14 H THR 14 -10.074 -2.978 -0.875 104 HA THR 14 HA THR 14 -12.159 -1.647 0.718 105 HB THR 14 HB THR 14 -12.646 -3.997 1.492 106 HG1 THR 14 HG1 THR 14 -10.412 -4.657 1.078 107 1HG2 THR 14 1HG2 THR 14 -12.675 -3.067 -1.337 108 2HG2 THR 14 2HG2 THR 14 -13.061 -4.764 -1.046 109 3HG2 THR 14 3HG2 THR 14 -14.020 -3.497 -0.280 110 H ASN 15 H ASN 15 -12.270 -2.692 3.108 111 HA ASN 15 HA ASN 15 -9.775 -1.798 4.400 112 1HB ASN 15 1HB ASN 15 -11.115 -1.988 6.500 113 2HB ASN 15 2HB ASN 15 -11.849 -0.924 5.300 114 2HD2 ASN 15 2HD2 ASN 15 -13.737 -1.772 4.093 115 1HD2 ASN 15 1HD2 ASN 15 -14.635 -3.074 4.706 116 H GLU 16 H GLU 16 -11.881 -4.700 4.570 117 HA GLU 16 HA GLU 16 -9.989 -6.162 6.195 118 1HB GLU 16 1HB GLU 16 -12.443 -6.640 6.102 119 2HB GLU 16 2HB GLU 16 -12.225 -7.248 4.463 120 1HG GLU 16 1HG GLU 16 -10.527 -8.870 5.372 121 2HG GLU 16 2HG GLU 16 -10.970 -8.344 6.996 122 H ASP 17 H ASP 17 -10.090 -5.441 2.859 123 HA ASP 17 HA ASP 17 -8.498 -7.855 2.180 124 1HB ASP 17 1HB ASP 17 -10.480 -6.834 0.766 125 2HB ASP 17 2HB ASP 17 -9.217 -5.766 0.158 126 H LEU 18 H LEU 18 -8.068 -4.414 2.715 127 HA LEU 18 HA LEU 18 -5.444 -4.480 1.370 128 1HB LEU 18 1HB LEU 18 -5.265 -2.197 1.752 129 2HB LEU 18 2HB LEU 18 -6.988 -2.433 1.477 130 HG LEU 18 HG LEU 18 -7.134 -2.653 4.058 131 1HD1 LEU 18 1HD1 LEU 18 -4.346 -2.107 3.672 132 2HD1 LEU 18 2HD1 LEU 18 -5.076 -0.752 4.530 133 3HD1 LEU 18 3HD1 LEU 18 -5.203 -2.384 5.187 134 1HD2 LEU 18 1HD2 LEU 18 -7.955 -0.755 2.582 135 2HD2 LEU 18 2HD2 LEU 18 -7.533 -0.292 4.229 136 3HD2 LEU 18 3HD2 LEU 18 -6.422 0.051 2.906 137 H LEU 19 H LEU 19 -6.676 -5.288 4.393 138 HA LEU 19 HA LEU 19 -4.482 -4.503 6.054 139 1HB LEU 19 1HB LEU 19 -6.483 -6.773 6.227 140 2HB LEU 19 2HB LEU 19 -5.191 -6.609 7.410 141 HG LEU 19 HG LEU 19 -7.546 -4.803 6.923 142 1HD1 LEU 19 1HD1 LEU 19 -6.197 -6.135 9.280 143 2HD1 LEU 19 2HD1 LEU 19 -7.440 -4.897 9.483 144 3HD1 LEU 19 3HD1 LEU 19 -7.829 -6.411 8.666 145 1HD2 LEU 19 1HD2 LEU 19 -4.815 -4.023 7.895 146 2HD2 LEU 19 2HD2 LEU 19 -5.969 -3.093 6.930 147 3HD2 LEU 19 3HD2 LEU 19 -6.229 -3.308 8.660 148 H ASP 20 H ASP 20 -4.825 -6.823 3.547 149 HA ASP 20 HA ASP 20 -2.624 -8.543 4.434 150 1HB ASP 20 1HB ASP 20 -4.568 -9.348 3.029 151 2HB ASP 20 2HB ASP 20 -3.912 -8.402 1.693 152 H GLN 21 H GLN 21 -2.940 -5.589 2.720 153 HA GLN 21 HA GLN 21 -0.336 -5.848 1.371 154 1HB GLN 21 1HB GLN 21 -2.400 -3.593 1.430 155 2HB GLN 21 2HB GLN 21 -0.877 -3.520 0.572 156 1HG GLN 21 1HG GLN 21 -2.487 -5.910 -0.028 157 2HG GLN 21 2HG GLN 21 -3.198 -4.384 -0.546 158 2HE2 GLN 21 2HE2 GLN 21 -1.889 -3.017 -2.093 159 1HE2 GLN 21 1HE2 GLN 21 -0.675 -3.756 -3.017 160 H LEU 22 H LEU 22 -1.771 -4.465 4.206 161 HA LEU 22 HA LEU 22 0.648 -2.818 4.688 162 1HB LEU 22 1HB LEU 22 -2.139 -2.874 5.751 163 2HB LEU 22 2HB LEU 22 -0.873 -2.364 6.859 164 HG LEU 22 HG LEU 22 -0.254 -1.010 4.536 165 1HD1 LEU 22 1HD1 LEU 22 -2.531 -1.759 3.689 166 2HD1 LEU 22 2HD1 LEU 22 -3.235 -0.779 4.975 167 3HD1 LEU 22 3HD1 LEU 22 -2.280 -0.016 3.704 168 1HD2 LEU 22 1HD2 LEU 22 -0.674 -0.383 7.139 169 2HD2 LEU 22 2HD2 LEU 22 -0.458 0.825 5.887 170 3HD2 LEU 22 3HD2 LEU 22 -2.080 0.378 6.409 171 H VAL 23 H VAL 23 -1.099 -5.603 5.952 172 HA VAL 23 HA VAL 23 0.642 -5.816 8.273 173 HB VAL 23 HB VAL 23 -1.370 -7.746 7.081 174 1HG1 VAL 23 1HG1 VAL 23 0.374 -7.869 9.536 175 2HG1 VAL 23 2HG1 VAL 23 -1.190 -8.682 9.511 176 3HG1 VAL 23 3HG1 VAL 23 0.054 -9.129 8.344 177 1HG2 VAL 23 1HG2 VAL 23 -2.064 -5.457 8.123 178 2HG2 VAL 23 2HG2 VAL 23 -2.905 -6.908 8.666 179 3HG2 VAL 23 3HG2 VAL 23 -1.628 -6.202 9.661 180 H LYS 24 H LYS 24 1.542 -6.171 5.201 181 HA LYS 24 HA LYS 24 3.133 -8.569 5.942 182 1HB LYS 24 1HB LYS 24 3.379 -8.917 3.396 183 2HB LYS 24 2HB LYS 24 1.823 -9.321 4.127 184 1HG LYS 24 1HG LYS 24 0.941 -7.153 3.509 185 2HG LYS 24 2HG LYS 24 2.480 -6.657 2.860 186 1HD LYS 24 1HD LYS 24 0.916 -9.026 1.825 187 2HD LYS 24 2HD LYS 24 0.931 -7.431 1.070 188 1HE LYS 24 1HE LYS 24 2.866 -7.923 0.023 189 2HE LYS 24 2HE LYS 24 3.648 -8.236 1.576 190 1HZ LYS 24 1HZ LYS 24 1.866 -10.335 0.775 191 2HZ LYS 24 2HZ LYS 24 3.119 -10.087 -0.345 192 3HZ LYS 24 3HZ LYS 24 3.486 -10.421 1.277 193 H TYR 25 H TYR 25 3.382 -5.708 3.787 194 HA TYR 25 HA TYR 25 6.195 -5.876 3.496 195 1HB TYR 25 1HB TYR 25 4.330 -3.500 3.664 196 2HB TYR 25 2HB TYR 25 6.072 -3.300 3.477 197 HD1 TYR 25 HD1 TYR 25 7.228 -4.490 1.534 198 HD2 TYR 25 HD2 TYR 25 2.976 -4.019 1.811 199 HE1 TYR 25 HE1 TYR 25 7.023 -4.959 -0.895 200 HE2 TYR 25 HE2 TYR 25 2.760 -4.498 -0.616 201 HH TYR 25 HH TYR 25 5.624 -4.895 -2.666 202 H GLY 26 H GLY 26 4.220 -5.379 6.238 203 1HA GLY 26 1HA GLY 26 6.597 -4.668 7.858 204 2HA GLY 26 2HA GLY 26 5.277 -5.725 8.404 205 H VAL 27 H VAL 27 3.217 -4.133 7.150 206 HA VAL 27 HA VAL 27 3.445 -1.587 8.744 207 HB VAL 27 HB VAL 27 1.553 -2.120 6.436 208 1HG1 VAL 27 1HG1 VAL 27 0.861 -0.391 8.091 209 2HG1 VAL 27 2HG1 VAL 27 2.390 0.449 7.808 210 3HG1 VAL 27 3HG1 VAL 27 1.215 0.301 6.500 211 1HG2 VAL 27 1HG2 VAL 27 4.326 -1.799 6.301 212 2HG2 VAL 27 2HG2 VAL 27 3.179 -1.521 4.977 213 3HG2 VAL 27 3HG2 VAL 27 3.688 -0.179 6.007 214 H ASN 28 H ASN 28 2.023 -1.183 10.376 215 HA ASN 28 HA ASN 28 -0.337 -3.005 10.590 216 1HB ASN 28 1HB ASN 28 1.042 -1.888 13.025 217 2HB ASN 28 2HB ASN 28 -0.036 -3.281 12.897 218 2HD2 ASN 28 2HD2 ASN 28 2.080 -4.139 14.169 219 1HD2 ASN 28 1HD2 ASN 28 3.243 -4.888 13.178 220 HA PRO 29 HA PRO 29 -1.894 1.266 10.541 221 1HB PRO 29 1HB PRO 29 -4.162 0.554 9.089 222 2HB PRO 29 2HB PRO 29 -2.649 0.928 8.292 223 1HG PRO 29 1HG PRO 29 -3.895 -1.643 8.636 224 2HG PRO 29 2HG PRO 29 -2.717 -1.081 7.438 225 1HD PRO 29 1HD PRO 29 -2.131 -2.691 9.693 226 2HD PRO 29 2HD PRO 29 -0.952 -1.896 8.665 227 H GLY 30 H GLY 30 -2.703 -1.527 12.107 228 1HA GLY 30 1HA GLY 30 -4.134 -0.488 14.198 229 2HA GLY 30 2HA GLY 30 -4.404 -2.128 13.631 230 HA PRO 31 HA PRO 31 -8.330 0.232 13.077 231 1HB PRO 31 1HB PRO 31 -8.279 2.942 13.477 232 2HB PRO 31 2HB PRO 31 -8.405 1.758 14.778 233 1HG PRO 31 1HG PRO 31 -6.106 3.447 13.939 234 2HG PRO 31 2HG PRO 31 -6.444 2.722 15.519 235 1HD PRO 31 1HD PRO 31 -4.615 1.774 13.556 236 2HD PRO 31 2HD PRO 31 -5.124 0.897 15.007 237 H ILE 32 H ILE 32 -8.255 -0.221 10.787 238 HA ILE 32 HA ILE 32 -7.482 1.979 8.956 239 HB ILE 32 HB ILE 32 -8.659 -0.778 8.449 240 1HG1 ILE 32 1HG1 ILE 32 -6.071 -0.219 9.178 241 2HG1 ILE 32 2HG1 ILE 32 -6.550 -1.579 8.179 242 1HG2 ILE 32 1HG2 ILE 32 -8.150 1.565 6.699 243 2HG2 ILE 32 2HG2 ILE 32 -7.752 -0.025 6.045 244 3HG2 ILE 32 3HG2 ILE 32 -9.390 0.319 6.586 245 1HD1 ILE 32 1HD1 ILE 32 -6.074 1.012 6.787 246 2HD1 ILE 32 2HD1 ILE 32 -4.670 0.124 7.369 247 3HD1 ILE 32 3HD1 ILE 32 -5.781 -0.637 6.248 248 H VAL 33 H VAL 33 -9.374 2.976 10.502 249 HA VAL 33 HA VAL 33 -12.080 2.482 10.067 250 HB VAL 33 HB VAL 33 -12.240 5.130 10.220 251 1HG1 VAL 33 1HG1 VAL 33 -12.143 3.008 12.041 252 2HG1 VAL 33 2HG1 VAL 33 -11.019 4.200 12.695 253 3HG1 VAL 33 3HG1 VAL 33 -12.696 4.649 12.379 254 1HG2 VAL 33 1HG2 VAL 33 -9.564 4.972 9.777 255 2HG2 VAL 33 2HG2 VAL 33 -10.318 6.278 10.688 256 3HG2 VAL 33 3HG2 VAL 33 -9.592 4.917 11.539 257 H GLY 34 H GLY 34 -13.542 4.136 8.710 258 1HA GLY 34 1HA GLY 34 -14.308 4.568 6.531 259 2HA GLY 34 2HA GLY 34 -12.973 3.582 5.937 260 H THR 35 H THR 35 -11.606 5.845 7.912 261 HA THR 35 HA THR 35 -11.331 7.843 5.723 262 HB THR 35 HB THR 35 -10.221 8.947 8.027 263 HG1 THR 35 HG1 THR 35 -12.662 7.645 8.638 264 1HG2 THR 35 1HG2 THR 35 -11.646 10.059 6.324 265 2HG2 THR 35 2HG2 THR 35 -13.053 9.226 6.985 266 3HG2 THR 35 3HG2 THR 35 -12.183 10.405 7.967 267 H THR 36 H THR 36 -9.756 5.222 6.908 268 HA THR 36 HA THR 36 -7.078 6.475 6.772 269 HB THR 36 HB THR 36 -6.359 4.117 7.494 270 HG1 THR 36 HG1 THR 36 -9.038 3.953 8.318 271 1HG2 THR 36 1HG2 THR 36 -8.082 5.952 9.157 272 2HG2 THR 36 2HG2 THR 36 -7.119 4.639 9.849 273 3HG2 THR 36 3HG2 THR 36 -6.323 5.978 9.002 274 H ARG 37 H ARG 37 -8.725 3.634 5.304 275 HA ARG 37 HA ARG 37 -6.984 2.577 3.601 276 1HB ARG 37 1HB ARG 37 -9.619 3.691 2.637 277 2HB ARG 37 2HB ARG 37 -8.633 2.568 1.723 278 1HG ARG 37 1HG ARG 37 -9.951 1.013 2.743 279 2HG ARG 37 2HG ARG 37 -8.759 1.185 4.033 280 1HD ARG 37 1HD ARG 37 -11.582 1.707 4.232 281 2HD ARG 37 2HD ARG 37 -10.373 2.023 5.468 282 HE ARG 37 HE ARG 37 -10.159 4.315 4.595 283 1HH1 ARG 37 1HH1 ARG 37 -10.930 5.689 2.824 284 2HH1 ARG 37 2HH1 ARG 37 -12.611 5.564 2.429 285 1HH2 ARG 37 1HH2 ARG 37 -13.122 2.700 4.308 286 2HH2 ARG 37 2HH2 ARG 37 -13.848 3.876 3.267 287 H LYS 38 H LYS 38 -8.275 5.852 2.941 288 HA LYS 38 HA LYS 38 -6.702 6.299 0.594 289 1HB LYS 38 1HB LYS 38 -8.658 7.715 1.500 290 2HB LYS 38 2HB LYS 38 -7.470 8.446 2.581 291 1HG LYS 38 1HG LYS 38 -6.084 9.030 0.588 292 2HG LYS 38 2HG LYS 38 -7.363 8.395 -0.448 293 1HD LYS 38 1HD LYS 38 -8.021 10.467 1.629 294 2HD LYS 38 2HD LYS 38 -7.304 10.965 0.096 295 1HE LYS 38 1HE LYS 38 -9.577 11.051 -0.418 296 2HE LYS 38 2HE LYS 38 -9.170 9.416 -0.939 297 1HZ LYS 38 1HZ LYS 38 -9.964 9.790 1.847 298 2HZ LYS 38 2HZ LYS 38 -11.182 9.905 0.669 299 3HZ LYS 38 3HZ LYS 38 -10.257 8.487 0.802 300 H LEU 39 H LEU 39 -6.182 7.402 3.952 301 HA LEU 39 HA LEU 39 -3.610 8.464 3.718 302 1HB LEU 39 1HB LEU 39 -5.274 8.023 5.825 303 2HB LEU 39 2HB LEU 39 -4.121 6.721 6.083 304 HG LEU 39 HG LEU 39 -3.439 9.651 5.829 305 1HD1 LEU 39 1HD1 LEU 39 -3.315 7.715 8.164 306 2HD1 LEU 39 2HD1 LEU 39 -2.756 9.387 8.199 307 3HD1 LEU 39 3HD1 LEU 39 -4.472 9.035 7.986 308 1HD2 LEU 39 1HD2 LEU 39 -1.826 7.117 5.932 309 2HD2 LEU 39 2HD2 LEU 39 -1.552 8.557 4.952 310 3HD2 LEU 39 3HD2 LEU 39 -1.171 8.576 6.676 311 H TYR 40 H TYR 40 -4.295 5.134 4.794 312 HA TYR 40 HA TYR 40 -1.611 4.238 4.603 313 1HB TYR 40 1HB TYR 40 -4.297 2.873 4.639 314 2HB TYR 40 2HB TYR 40 -2.819 1.936 4.447 315 HD1 TYR 40 HD1 TYR 40 -0.848 2.859 6.073 316 HD2 TYR 40 HD2 TYR 40 -5.056 3.067 6.818 317 HE1 TYR 40 HE1 TYR 40 -0.395 3.053 8.504 318 HE2 TYR 40 HE2 TYR 40 -4.626 3.271 9.254 319 HH TYR 40 HH TYR 40 -3.083 3.327 10.846 320 H GLU 41 H GLU 41 -3.964 4.805 2.158 321 HA GLU 41 HA GLU 41 -3.221 2.993 0.150 322 1HB GLU 41 1HB GLU 41 -4.541 4.306 -1.198 323 2HB GLU 41 2HB GLU 41 -4.920 5.143 0.307 324 1HG GLU 41 1HG GLU 41 -3.095 6.729 -0.099 325 2HG GLU 41 2HG GLU 41 -2.680 5.848 -1.562 326 H LYS 42 H LYS 42 -1.518 5.794 1.391 327 HA LYS 42 HA LYS 42 0.575 5.416 -0.686 328 1HB LYS 42 1HB LYS 42 0.035 7.661 1.293 329 2HB LYS 42 2HB LYS 42 1.370 7.640 0.150 330 1HG LYS 42 1HG LYS 42 -1.525 7.423 -0.688 331 2HG LYS 42 2HG LYS 42 -0.661 8.956 -0.600 332 1HD LYS 42 1HD LYS 42 0.464 8.546 -2.513 333 2HD LYS 42 2HD LYS 42 0.830 6.894 -2.029 334 1HE LYS 42 1HE LYS 42 -1.995 7.190 -2.607 335 2HE LYS 42 2HE LYS 42 -1.016 7.691 -3.985 336 1HZ LYS 42 1HZ LYS 42 0.230 5.451 -3.112 337 2HZ LYS 42 2HZ LYS 42 -1.406 5.064 -2.886 338 3HZ LYS 42 3HZ LYS 42 -0.851 5.529 -4.422 339 H LYS 43 H LYS 43 0.131 5.802 2.838 340 HA LYS 43 HA LYS 43 2.720 5.586 3.771 341 1HB LYS 43 1HB LYS 43 0.136 5.166 4.886 342 2HB LYS 43 2HB LYS 43 1.152 3.799 5.367 343 1HG LYS 43 1HG LYS 43 1.752 5.266 7.030 344 2HG LYS 43 2HG LYS 43 2.910 5.775 5.806 345 1HD LYS 43 1HD LYS 43 0.221 7.059 5.727 346 2HD LYS 43 2HD LYS 43 1.281 7.511 7.060 347 1HE LYS 43 1HE LYS 43 1.820 7.778 4.095 348 2HE LYS 43 2HE LYS 43 1.773 9.055 5.309 349 1HZ LYS 43 1HZ LYS 43 3.656 7.610 6.371 350 2HZ LYS 43 2HZ LYS 43 3.862 7.074 4.773 351 3HZ LYS 43 3HZ LYS 43 4.005 8.725 5.138 352 H LEU 44 H LEU 44 0.688 2.906 2.629 353 HA LEU 44 HA LEU 44 2.875 1.027 3.176 354 1HB LEU 44 1HB LEU 44 1.142 -0.319 3.563 355 2HB LEU 44 2HB LEU 44 0.027 0.933 3.025 356 HG LEU 44 HG LEU 44 0.641 0.176 0.655 357 1HD1 LEU 44 1HD1 LEU 44 -0.925 -1.522 2.597 358 2HD1 LEU 44 2HD1 LEU 44 -1.535 -0.174 1.638 359 3HD1 LEU 44 3HD1 LEU 44 -1.049 -1.671 0.843 360 1HD2 LEU 44 1HD2 LEU 44 2.149 -1.673 2.340 361 2HD2 LEU 44 2HD2 LEU 44 1.019 -2.543 1.286 362 3HD2 LEU 44 3HD2 LEU 44 2.225 -1.460 0.584 363 H LEU 45 H LEU 45 1.537 2.884 0.599 364 HA LEU 45 HA LEU 45 2.422 1.293 -1.614 365 1HB LEU 45 1HB LEU 45 0.885 3.457 -1.472 366 2HB LEU 45 2HB LEU 45 2.405 4.269 -1.827 367 HG LEU 45 HG LEU 45 1.884 1.892 -3.491 368 1HD1 LEU 45 1HD1 LEU 45 3.664 3.767 -3.674 369 2HD1 LEU 45 2HD1 LEU 45 2.867 3.237 -5.153 370 3HD1 LEU 45 3HD1 LEU 45 2.363 4.733 -4.367 371 1HD2 LEU 45 1HD2 LEU 45 -0.299 3.566 -2.974 372 2HD2 LEU 45 2HD2 LEU 45 0.346 4.126 -4.520 373 3HD2 LEU 45 3HD2 LEU 45 -0.135 2.443 -4.330 374 H LYS 46 H LYS 46 4.093 3.510 0.550 375 HA LYS 46 HA LYS 46 6.384 3.844 -1.204 376 1HB LYS 46 1HB LYS 46 5.614 5.122 1.061 377 2HB LYS 46 2HB LYS 46 6.784 3.996 1.747 378 1HG LYS 46 1HG LYS 46 8.121 5.841 1.181 379 2HG LYS 46 2HG LYS 46 8.322 4.780 -0.213 380 1HD LYS 46 1HD LYS 46 7.344 6.274 -1.594 381 2HD LYS 46 2HD LYS 46 5.982 6.494 -0.494 382 1HE LYS 46 1HE LYS 46 8.673 7.882 -0.390 383 2HE LYS 46 2HE LYS 46 7.096 8.622 -0.669 384 1HZ LYS 46 1HZ LYS 46 6.670 7.396 1.653 385 2HZ LYS 46 2HZ LYS 46 8.323 7.754 1.812 386 3HZ LYS 46 3HZ LYS 46 7.210 9.001 1.528 387 H LEU 47 H LEU 47 6.119 2.007 1.879 388 HA LEU 47 HA LEU 47 8.408 0.404 1.623 389 1HB LEU 47 1HB LEU 47 5.632 -0.471 2.492 390 2HB LEU 47 2HB LEU 47 7.123 -1.348 2.844 391 HG LEU 47 HG LEU 47 6.912 1.531 3.651 392 1HD1 LEU 47 1HD1 LEU 47 8.359 -0.962 4.523 393 2HD1 LEU 47 2HD1 LEU 47 9.022 0.627 4.137 394 3HD1 LEU 47 3HD1 LEU 47 8.159 0.376 5.655 395 1HD2 LEU 47 1HD2 LEU 47 5.047 -0.493 4.434 396 2HD2 LEU 47 2HD2 LEU 47 6.096 -0.159 5.815 397 3HD2 LEU 47 3HD2 LEU 47 5.191 1.153 5.058 398 H ARG 48 H ARG 48 5.368 0.349 0.006 399 HA ARG 48 HA ARG 48 5.643 -2.174 -1.373 400 1HB ARG 48 1HB ARG 48 3.480 -1.094 -0.855 401 2HB ARG 48 2HB ARG 48 3.906 0.257 -1.893 402 1HG ARG 48 1HG ARG 48 4.286 -1.933 -3.535 403 2HG ARG 48 2HG ARG 48 2.846 -2.361 -2.605 404 1HD ARG 48 1HD ARG 48 3.034 0.431 -3.638 405 2HD ARG 48 2HD ARG 48 2.700 -0.836 -4.802 406 HE ARG 48 HE ARG 48 0.840 0.137 -2.786 407 1HH1 ARG 48 1HH1 ARG 48 -1.260 -0.663 -3.190 408 2HH1 ARG 48 2HH1 ARG 48 -1.437 -2.259 -3.838 409 1HH2 ARG 48 1HH2 ARG 48 1.969 -2.740 -4.261 410 2HH2 ARG 48 2HH2 ARG 48 0.398 -3.436 -4.459 411 H GLU 49 H GLU 49 4.917 0.553 -3.390 412 HA GLU 49 HA GLU 49 5.822 0.859 -5.586 413 1HB GLU 49 1HB GLU 49 7.589 2.033 -3.452 414 2HB GLU 49 2HB GLU 49 7.988 2.254 -5.157 415 1HG GLU 49 1HG GLU 49 5.908 3.354 -5.593 416 2HG GLU 49 2HG GLU 49 5.252 2.876 -4.028 417 H GLN 50 H GLN 50 6.264 -1.353 -6.199 418 HA GLN 50 HA GLN 50 8.431 -2.967 -5.683 419 1HB GLN 50 1HB GLN 50 7.026 -3.872 -7.297 420 2HB GLN 50 2HB GLN 50 6.909 -2.364 -8.195 421 1HG GLN 50 1HG GLN 50 9.626 -3.539 -8.133 422 2HG GLN 50 2HG GLN 50 8.423 -4.515 -8.973 423 2HE2 GLN 50 2HE2 GLN 50 9.856 -3.822 -10.920 424 1HE2 GLN 50 1HE2 GLN 50 9.468 -2.352 -11.675 425 H GLY 51 H GLY 51 8.468 -0.309 -8.092 426 1HA GLY 51 1HA GLY 51 10.265 0.943 -8.934 427 2HA GLY 51 2HA GLY 51 11.243 -0.509 -8.710 428 H THR 52 H THR 52 10.880 2.661 -7.727 429 HA THR 52 HA THR 52 11.662 3.885 -5.871 430 HB THR 52 HB THR 52 12.081 1.279 -4.403 431 HG1 THR 52 HG1 THR 52 9.875 1.603 -3.716 432 1HG2 THR 52 1HG2 THR 52 12.812 3.576 -3.513 433 2HG2 THR 52 2HG2 THR 52 11.091 3.939 -3.371 434 3HG2 THR 52 3HG2 THR 52 11.789 2.604 -2.456 435 H GLU 53 H GLU 53 13.315 2.197 -7.929 436 HA GLU 53 HA GLU 53 15.806 1.548 -6.709 437 1HB GLU 53 1HB GLU 53 16.687 2.098 -9.127 438 2HB GLU 53 2HB GLU 53 15.652 0.701 -8.863 439 1HG GLU 53 1HG GLU 53 15.141 2.409 -10.821 440 2HG GLU 53 2HG GLU 53 13.821 1.689 -9.896 441 H SER 54 H SER 54 14.373 4.609 -7.091 442 HA SER 54 HA SER 54 15.244 6.775 -6.745 443 1HB SER 54 1HB SER 54 17.577 5.169 -5.657 444 2HB SER 54 2HB SER 54 17.352 6.904 -5.441 445 HG SER 54 HG SER 54 15.835 4.766 -4.416 446 H ARG 55 H ARG 55 15.372 6.655 -9.274 447 HA ARG 55 HA ARG 55 18.231 6.952 -10.082 448 1HB ARG 55 1HB ARG 55 16.495 4.924 -10.933 449 2HB ARG 55 2HB ARG 55 16.463 6.107 -12.245 450 1HG ARG 55 1HG ARG 55 18.826 6.010 -12.540 451 2HG ARG 55 2HG ARG 55 19.058 5.167 -11.011 452 1HD ARG 55 1HD ARG 55 19.020 3.895 -13.401 453 2HD ARG 55 2HD ARG 55 18.511 3.125 -11.896 454 HE ARG 55 HE ARG 55 16.300 4.533 -13.234 455 1HH1 ARG 55 1HH1 ARG 55 16.874 1.722 -11.747 456 2HH1 ARG 55 2HH1 ARG 55 16.226 0.671 -12.963 457 1HH2 ARG 55 1HH2 ARG 55 16.037 3.149 -15.381 458 2HH2 ARG 55 2HH2 ARG 55 15.753 1.479 -15.019 459 H SER 56 H SER 56 16.750 9.141 -9.268 460 HA SER 56 HA SER 56 15.806 10.412 -11.795 461 1HB SER 56 1HB SER 56 14.392 10.388 -9.625 462 2HB SER 56 2HB SER 56 15.537 11.589 -9.030 463 HG SER 56 HG SER 56 13.493 12.180 -10.343 464 H SER 57 H SER 57 16.238 13.081 -11.142 465 HA SER 57 HA SER 57 18.742 13.803 -10.094 466 1HB SER 57 1HB SER 57 19.841 12.376 -11.686 467 2HB SER 57 2HB SER 57 18.845 12.983 -13.008 468 HG SER 57 HG SER 57 20.953 14.225 -11.637 No H/Q in entry = 468
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